data_nef_c25660_2n3y save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 18828 BMRB 26578 PDB 2N3Y stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 47 SER C 1 48 1PA N 1 48 1PA C 1 49 THR N 1 18 HIS NE2 2 1 MH0 FE 1 80 MET SD 2 1 MH0 FE 1 14 CYS SG 2 1 MH0 CAB 1 17 CYS SG 2 1 MH0 CAC stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 ASP middle . . 3 A 3 VAL middle . . 4 A 4 GLU middle . . 5 A 5 LYS middle . . 6 A 6 GLY middle . false 7 A 7 LYS middle . . 8 A 8 LYS middle . . 9 A 9 ILE middle . . 10 A 10 PHE middle . . 11 A 11 ILE middle . . 12 A 12 MET middle . . 13 A 13 LYS middle . . 14 A 14 CYS middle -HG . 15 A 15 SER middle . . 16 A 16 GLN middle . . 17 A 17 CYS middle -HG . 18 A 18 HIS middle -HE2 . 19 A 19 THR middle . . 20 A 20 VAL middle . . 21 A 21 GLU middle . . 22 A 22 LYS middle . . 23 A 23 GLY middle . false 24 A 24 GLY middle . false 25 A 25 LYS middle . . 26 A 26 HIS middle . . 27 A 27 LYS middle . . 28 A 28 THR middle . . 29 A 29 GLY middle . false 30 A 30 PRO middle . false 31 A 31 ASN middle . . 32 A 32 LEU middle . . 33 A 33 HIS middle . . 34 A 34 GLY middle . false 35 A 35 LEU middle . . 36 A 36 PHE middle . . 37 A 37 GLY middle . false 38 A 38 ARG middle . . 39 A 39 LYS middle . . 40 A 40 THR middle . . 41 A 41 GLY middle . false 42 A 42 GLN middle . . 43 A 43 ALA middle . . 44 A 44 PRO middle . false 45 A 45 GLY middle . false 46 A 46 TYR middle . . 47 A 47 SER middle . . 48 A 48 1PA middle . . 49 A 49 THR middle . . 50 A 50 ALA middle . . 51 A 51 ALA middle . . 52 A 52 ASN middle . . 53 A 53 LYS middle . . 54 A 54 ASN middle . . 55 A 55 LYS middle . . 56 A 56 GLY middle . false 57 A 57 ILE middle . . 58 A 58 ILE middle . . 59 A 59 TRP middle . . 60 A 60 GLY middle . false 61 A 61 GLU middle . . 62 A 62 ASP middle . . 63 A 63 THR middle . . 64 A 64 LEU middle . . 65 A 65 MET middle . . 66 A 66 GLU middle . . 67 A 67 TYR middle . . 68 A 68 LEU middle . . 69 A 69 GLU middle . . 70 A 70 ASN middle . . 71 A 71 PRO middle . false 72 A 72 LYS middle . . 73 A 73 LYS middle . . 74 A 74 TYR middle . . 75 A 75 ILE middle . . 76 A 76 PRO middle . false 77 A 77 GLY middle . false 78 A 78 THR middle . . 79 A 79 LYS middle . . 80 A 80 MET middle . . 81 A 81 ILE middle . . 82 A 82 PHE middle . . 83 A 83 VAL middle . . 84 A 84 GLY middle . false 85 A 85 ILE middle . . 86 A 86 LYS middle . . 87 A 87 LYS middle . . 88 A 88 LYS middle . . 89 A 89 GLU middle . . 90 A 90 GLU middle . . 91 A 91 ARG middle . . 92 A 92 ALA middle . . 93 A 93 ASP middle . . 94 A 94 LEU middle . . 95 A 95 ILE middle . . 96 A 96 ALA middle . . 97 A 97 TYR middle . . 98 A 98 LEU middle . . 99 A 99 LYS middle . . 100 A 100 LYS middle . . 101 A 101 ALA middle . . 102 A 102 THR middle . . 103 A 103 ASN middle . . 104 A 104 GLU end . . 105 B 1 MH0 . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY HA2 H 1 3.341 0.001 A 1 GLY HA3 H 1 3.752 0.001 A 1 GLY C C 13 168.239 0.001 A 1 GLY CA C 13 42.567 0.001 A 2 ASP H H 1 9.541 0.001 A 2 ASP HA H 1 4.775 0.001 A 2 ASP HB2 H 1 2.735 0.001 A 2 ASP HB3 H 1 2.370 0.001 A 2 ASP C C 13 175.662 0.001 A 2 ASP CA C 13 52.772 0.001 A 2 ASP CB C 13 42.313 0.001 A 2 ASP N N 15 124.691 0.001 A 3 VAL H H 1 8.569 0.001 A 3 VAL HA H 1 3.550 0.001 A 3 VAL HB H 1 2.097 0.001 A 3 VAL HG1% H 1 0.988 0.001 A 3 VAL HG2% H 1 0.954 0.001 A 3 VAL C C 13 177.302 0.001 A 3 VAL CA C 13 65.946 0.001 A 3 VAL CB C 13 31.965 0.001 A 3 VAL CG1 C 13 21.697 0.001 A 3 VAL CG2 C 13 21.577 0.001 A 3 VAL N N 15 123.739 0.001 A 4 GLU H H 1 8.083 0.003 A 4 GLU HA H 1 4.008 0.003 A 4 GLU HB2 H 1 2.053 0.001 A 4 GLU HB3 H 1 2.021 0.002 A 4 GLU HG2 H 1 2.231 0.001 A 4 GLU HG3 H 1 2.208 0.002 A 4 GLU C C 13 180.515 0.001 A 4 GLU CA C 13 58.963 0.001 A 4 GLU CB C 13 28.479 0.001 A 4 GLU CG C 13 35.918 0.001 A 4 GLU N N 15 120.310 0.001 A 5 LYS H H 1 8.096 0.002 A 5 LYS HA H 1 3.899 0.001 A 5 LYS HB2 H 1 1.706 0.005 A 5 LYS HB3 H 1 1.706 0.005 A 5 LYS HE2 H 1 2.883 0.002 A 5 LYS HE3 H 1 2.883 0.002 A 5 LYS HG2 H 1 1.458 0.005 A 5 LYS HG3 H 1 1.304 0.001 A 5 LYS C C 13 180.515 0.001 A 5 LYS CA C 13 59.459 0.001 A 5 LYS CB C 13 32.454 0.001 A 5 LYS CD C 13 28.801 0.001 A 5 LYS CE C 13 41.739 0.001 A 5 LYS CG C 13 26.024 0.001 A 5 LYS N N 15 121.058 0.001 A 6 GLY H H 1 8.709 0.002 A 6 GLY HA2 H 1 3.478 0.001 A 6 GLY HA3 H 1 4.095 0.003 A 6 GLY C C 13 174.012 0.001 A 6 GLY CA C 13 46.479 0.001 A 6 GLY N N 15 107.193 0.001 A 7 LYS H H 1 8.039 0.004 A 7 LYS HA H 1 2.160 0.002 A 7 LYS HB2 H 1 1.670 0.002 A 7 LYS HB3 H 1 1.324 0.005 A 7 LYS HD2 H 1 0.986 0.002 A 7 LYS HD3 H 1 0.986 0.002 A 7 LYS HG2 H 1 1.536 0.001 A 7 LYS HG3 H 1 1.536 0.001 A 7 LYS C C 13 177.457 0.001 A 7 LYS CA C 13 59.052 0.001 A 7 LYS CB C 13 32.105 0.001 A 7 LYS CD C 13 29.272 0.001 A 7 LYS CE C 13 41.814 0.001 A 7 LYS CG C 13 24.023 0.001 A 7 LYS N N 15 124.124 0.010 A 8 LYS H H 1 6.958 0.001 A 8 LYS HA H 1 3.815 0.001 A 8 LYS HB2 H 1 1.852 0.001 A 8 LYS HB3 H 1 1.852 0.001 A 8 LYS HD2 H 1 1.591 0.002 A 8 LYS HD3 H 1 1.591 0.002 A 8 LYS HE2 H 1 2.884 0.001 A 8 LYS HE3 H 1 2.884 0.001 A 8 LYS HG2 H 1 1.531 0.001 A 8 LYS HG3 H 1 1.353 0.001 A 8 LYS C C 13 179.228 0.001 A 8 LYS CA C 13 59.322 0.001 A 8 LYS CB C 13 31.815 0.001 A 8 LYS CD C 13 29.001 0.001 A 8 LYS CE C 13 41.830 0.001 A 8 LYS CG C 13 25.179 0.001 A 8 LYS N N 15 116.732 0.001 A 9 ILE H H 1 7.681 0.003 A 9 ILE HA H 1 3.719 0.001 A 9 ILE HB H 1 2.004 0.001 A 9 ILE HD1% H 1 1.003 0.001 A 9 ILE HG12 H 1 1.810 0.002 A 9 ILE HG13 H 1 1.152 0.004 A 9 ILE HG2% H 1 1.064 0.002 A 9 ILE C C 13 177.006 0.001 A 9 ILE CA C 13 65.105 0.001 A 9 ILE CB C 13 37.562 0.001 A 9 ILE CD1 C 13 14.027 0.001 A 9 ILE CG1 C 13 28.101 0.001 A 9 ILE CG2 C 13 18.364 0.001 A 9 ILE N N 15 119.269 0.001 A 10 PHE H H 1 8.635 0.001 A 10 PHE HA H 1 3.973 0.001 A 10 PHE HB2 H 1 3.005 0.001 A 10 PHE HB3 H 1 2.890 0.001 A 10 PHE HD1 H 1 7.076 0.001 A 10 PHE HD2 H 1 6.856 0.001 A 10 PHE HE1 H 1 6.027 0.001 A 10 PHE HE2 H 1 6.928 0.001 A 10 PHE HZ H 1 6.093 0.001 A 10 PHE C C 13 178.820 0.001 A 10 PHE CA C 13 62.164 0.001 A 10 PHE CB C 13 39.377 0.001 A 10 PHE N N 15 120.908 0.001 A 11 ILE H H 1 8.834 0.002 A 11 ILE HA H 1 3.316 0.002 A 11 ILE HB H 1 1.862 0.002 A 11 ILE HD1% H 1 0.740 0.001 A 11 ILE HG12 H 1 1.773 0.002 A 11 ILE HG13 H 1 1.181 0.002 A 11 ILE HG2% H 1 0.804 0.001 A 11 ILE C C 13 178.867 0.001 A 11 ILE CA C 13 65.622 0.001 A 11 ILE CB C 13 37.617 0.001 A 11 ILE CD1 C 13 12.748 0.001 A 11 ILE CG1 C 13 28.669 0.001 A 11 ILE CG2 C 13 16.179 0.001 A 11 ILE N N 15 121.053 0.002 A 12 MET H H 1 8.047 0.008 A 12 MET HA H 1 4.219 0.001 A 12 MET HB2 H 1 2.250 0.002 A 12 MET HB3 H 1 2.136 0.003 A 12 MET HG2 H 1 2.731 0.002 A 12 MET HG3 H 1 2.575 0.003 A 12 MET C C 13 177.972 0.001 A 12 MET CA C 13 58.560 0.001 A 12 MET CB C 13 33.675 0.001 A 12 MET CG C 13 31.430 0.001 A 12 MET N N 15 117.328 0.001 A 13 LYS H H 1 9.016 0.004 A 13 LYS HA H 1 4.935 0.001 A 13 LYS HB2 H 1 2.399 0.001 A 13 LYS HB3 H 1 2.221 0.001 A 13 LYS HD2 H 1 1.671 0.001 A 13 LYS HD3 H 1 1.671 0.001 A 13 LYS HE2 H 1 3.103 0.001 A 13 LYS HE3 H 1 3.069 0.001 A 13 LYS HG2 H 1 1.908 0.001 A 13 LYS HG3 H 1 1.785 0.001 A 13 LYS C C 13 177.353 0.001 A 13 LYS CA C 13 57.260 0.001 A 13 LYS CB C 13 35.199 0.001 A 13 LYS CD C 13 26.428 0.001 A 13 LYS CE C 13 42.303 0.001 A 13 LYS CG C 13 29.458 0.001 A 13 LYS N N 15 113.452 0.001 A 14 CYS H H 1 8.130 0.003 A 14 CYS HA H 1 5.296 0.001 A 14 CYS HB2 H 1 1.756 0.001 A 14 CYS HB3 H 1 1.059 0.001 A 14 CYS C C 13 177.723 0.001 A 14 CYS CA C 13 54.119 0.001 A 14 CYS CB C 13 36.784 0.001 A 14 CYS N N 15 115.390 0.001 A 15 SER H H 1 7.297 0.005 A 15 SER HA H 1 3.768 0.006 A 15 SER HB2 H 1 3.860 0.001 A 15 SER HB3 H 1 3.621 0.001 A 15 SER C C 13 174.272 0.001 A 15 SER CA C 13 60.587 0.001 A 15 SER CB C 13 62.483 0.001 A 15 SER N N 15 114.347 0.001 A 16 GLN H H 1 8.879 0.004 A 16 GLN HA H 1 3.909 0.001 A 16 GLN HB2 H 1 2.194 0.001 A 16 GLN HB3 H 1 1.939 0.001 A 16 GLN HE21 H 1 6.957 0.001 A 16 GLN HE22 H 1 7.559 0.001 A 16 GLN HG2 H 1 2.604 0.001 A 16 GLN HG3 H 1 2.444 0.001 A 16 GLN C C 13 176.559 0.001 A 16 GLN CA C 13 57.938 0.001 A 16 GLN CB C 13 27.900 0.001 A 16 GLN CG C 13 33.202 0.001 A 16 GLN N N 15 120.608 0.001 A 16 GLN NE2 N 15 111.391 0.001 A 17 CYS H H 1 6.805 0.004 A 17 CYS HA H 1 4.084 0.001 A 17 CYS HB2 H 1 1.392 0.001 A 17 CYS HB3 H 1 0.427 0.001 A 17 CYS C C 13 171.419 0.001 A 17 CYS CA C 13 53.967 0.001 A 17 CYS CB C 13 38.172 0.001 A 17 CYS N N 15 112.857 0.001 A 18 HIS H H 1 6.223 0.001 A 18 HIS HA H 1 3.622 0.001 A 18 HIS HB2 H 1 0.996 0.001 A 18 HIS HB3 H 1 0.660 0.003 A 18 HIS HD1 H 1 9.464 0.001 A 18 HIS HD2 H 1 0.010 0.004 A 18 HIS HE1 H 1 0.381 0.001 A 18 HIS C C 13 173.588 0.001 A 18 HIS CA C 13 53.514 0.001 A 18 HIS CB C 13 31.916 0.001 A 18 HIS N N 15 113.603 0.001 A 19 THR H H 1 7.636 0.002 A 19 THR HA H 1 4.413 0.001 A 19 THR HB H 1 4.356 0.001 A 19 THR HG2% H 1 0.989 0.002 A 19 THR C C 13 174.026 0.001 A 19 THR CA C 13 58.557 0.001 A 19 THR CB C 13 71.176 0.001 A 19 THR CG2 C 13 21.342 0.001 A 19 THR N N 15 109.280 0.001 A 20 VAL H H 1 7.675 0.001 A 20 VAL HA H 1 3.765 0.001 A 20 VAL HB H 1 1.426 0.001 A 20 VAL HG1% H 1 -0.138 0.001 A 20 VAL HG2% H 1 0.278 0.001 A 20 VAL C C 13 173.470 0.001 A 20 VAL CA C 13 60.794 0.001 A 20 VAL CB C 13 33.427 0.001 A 20 VAL CG1 C 13 21.700 0.001 A 20 VAL CG2 C 13 18.074 0.001 A 20 VAL N N 15 110.620 0.001 A 21 GLU HA H 1 4.134 0.002 A 21 GLU HB2 H 1 1.752 0.002 A 21 GLU HB3 H 1 1.698 0.002 A 21 GLU HG2 H 1 2.066 0.003 A 21 GLU HG3 H 1 2.066 0.003 A 21 GLU C C 13 177.538 0.001 A 21 GLU CA C 13 56.452 0.001 A 21 GLU CB C 13 29.646 0.001 A 21 GLU CG C 13 35.631 0.001 A 22 LYS H H 1 8.717 0.003 A 22 LYS HA H 1 3.052 0.001 A 22 LYS HB2 H 1 1.206 0.001 A 22 LYS HB3 H 1 0.425 0.001 A 22 LYS HD2 H 1 1.339 0.001 A 22 LYS HD3 H 1 1.339 0.001 A 22 LYS HE2 H 1 2.769 0.002 A 22 LYS HE3 H 1 2.769 0.002 A 22 LYS HG2 H 1 0.851 0.001 A 22 LYS HG3 H 1 0.686 0.001 A 22 LYS C C 13 177.538 0.001 A 22 LYS CA C 13 57.749 0.001 A 22 LYS CB C 13 30.941 0.001 A 22 LYS CD C 13 28.870 0.001 A 22 LYS CE C 13 41.566 0.001 A 22 LYS CG C 13 24.010 0.001 A 22 LYS N N 15 126.123 0.001 A 23 GLY H H 1 9.078 0.001 A 23 GLY HA2 H 1 3.441 0.001 A 23 GLY HA3 H 1 3.740 0.001 A 23 GLY C C 13 174.531 0.001 A 23 GLY CA C 13 44.906 0.001 A 23 GLY N N 15 117.177 0.001 A 24 GLY H H 1 7.730 0.001 A 24 GLY HA2 H 1 3.054 0.003 A 24 GLY HA3 H 1 3.713 0.002 A 24 GLY C C 13 172.234 0.001 A 24 GLY CA C 13 44.146 0.001 A 24 GLY N N 15 107.042 0.001 A 25 LYS H H 1 8.222 0.001 A 25 LYS HA H 1 3.833 0.002 A 25 LYS HB2 H 1 1.563 0.001 A 25 LYS HB3 H 1 1.379 0.001 A 25 LYS HD2 H 1 1.451 0.001 A 25 LYS HD3 H 1 1.451 0.001 A 25 LYS HE2 H 1 2.797 0.001 A 25 LYS HE3 H 1 2.797 0.001 A 25 LYS HG2 H 1 1.216 0.001 A 25 LYS HG3 H 1 1.216 0.001 A 25 LYS C C 13 178.209 0.001 A 25 LYS CA C 13 55.712 0.001 A 25 LYS CB C 13 32.861 0.001 A 25 LYS CD C 13 28.514 0.001 A 25 LYS CE C 13 41.714 0.001 A 25 LYS CG C 13 24.281 0.001 A 25 LYS N N 15 118.452 0.001 A 26 HIS H H 1 8.545 0.002 A 26 HIS HA H 1 4.192 0.001 A 26 HIS HB2 H 1 2.969 0.001 A 26 HIS HB3 H 1 2.859 0.001 A 26 HIS HD1 H 1 6.948 0.001 A 26 HIS HD2 H 1 6.730 0.003 A 26 HIS C C 13 175.081 0.001 A 26 HIS CA C 13 55.813 0.001 A 26 HIS CB C 13 30.173 0.001 A 26 HIS N N 15 122.465 0.001 A 27 LYS H H 1 7.439 0.002 A 27 LYS HA H 1 4.370 0.001 A 27 LYS HB2 H 1 1.671 0.001 A 27 LYS HB3 H 1 0.964 0.001 A 27 LYS HD2 H 1 1.235 0.001 A 27 LYS HD3 H 1 1.011 0.001 A 27 LYS HE2 H 1 2.386 0.001 A 27 LYS HE3 H 1 2.386 0.001 A 27 LYS HG2 H 1 0.954 0.001 A 27 LYS HG3 H 1 0.954 0.001 A 27 LYS C C 13 175.781 0.001 A 27 LYS CA C 13 55.066 0.001 A 27 LYS CB C 13 30.731 0.001 A 27 LYS CD C 13 29.035 0.001 A 27 LYS CE C 13 41.341 0.001 A 27 LYS CG C 13 24.155 0.001 A 27 LYS N N 15 126.571 0.001 A 28 THR HA H 1 4.017 0.001 A 28 THR HB H 1 4.101 0.008 A 28 THR HG2% H 1 1.917 0.003 A 28 THR C C 13 174.931 0.001 A 28 THR CA C 13 67.083 0.001 A 28 THR CB C 13 69.766 0.001 A 28 THR CG2 C 13 22.205 0.001 A 29 GLY H H 1 7.548 0.002 A 29 GLY HA2 H 1 -0.072 0.002 A 29 GLY HA3 H 1 3.704 0.001 A 29 GLY C C 13 169.328 0.001 A 29 GLY CA C 13 40.882 0.001 A 29 GLY N N 15 106.150 0.001 A 30 PRO HA H 1 3.590 0.001 A 30 PRO HB2 H 1 1.230 0.001 A 30 PRO HB3 H 1 1.230 0.001 A 30 PRO HD2 H 1 2.540 0.001 A 30 PRO HD3 H 1 1.516 0.001 A 30 PRO HG2 H 1 0.733 0.001 A 30 PRO HG3 H 1 0.733 0.001 A 30 PRO CA C 13 60.269 0.001 A 30 PRO CB C 13 31.020 0.001 A 30 PRO CD C 13 48.500 0.001 A 30 PRO CG C 13 26.377 0.001 A 31 ASN H H 1 10.198 0.001 A 31 ASN HA H 1 4.023 0.002 A 31 ASN HB2 H 1 2.013 0.018 A 31 ASN HB3 H 1 1.919 0.002 A 31 ASN HD21 H 1 7.325 0.001 A 31 ASN HD22 H 1 7.924 0.002 A 31 ASN C C 13 176.303 0.001 A 31 ASN CA C 13 54.344 0.001 A 31 ASN CB C 13 39.785 0.001 A 31 ASN ND2 N 15 115.086 0.018 A 32 LEU H H 1 7.889 0.002 A 32 LEU HA H 1 3.867 0.005 A 32 LEU HB2 H 1 1.326 0.002 A 32 LEU HB3 H 1 0.997 0.002 A 32 LEU HD1% H 1 -0.869 0.004 A 32 LEU HD2% H 1 -0.761 0.002 A 32 LEU HG H 1 0.379 0.001 A 32 LEU C C 13 174.533 0.001 A 32 LEU CA C 13 53.287 0.001 A 32 LEU CB C 13 42.520 0.001 A 32 LEU CD1 C 13 23.361 0.001 A 32 LEU CD2 C 13 20.335 0.001 A 32 LEU CG C 13 24.726 0.001 A 32 LEU N N 15 121.653 0.001 A 33 HIS H H 1 7.445 0.002 A 33 HIS HA H 1 3.707 0.002 A 33 HIS HB2 H 1 2.822 0.001 A 33 HIS HB3 H 1 2.770 0.002 A 33 HIS HE1 H 1 7.285 0.001 A 33 HIS C C 13 176.992 0.001 A 33 HIS CA C 13 60.491 0.001 A 33 HIS CB C 13 28.223 0.001 A 33 HIS N N 15 119.860 0.001 A 34 GLY H H 1 8.763 0.001 A 34 GLY HA2 H 1 3.638 0.001 A 34 GLY HA3 H 1 3.847 0.002 A 34 GLY C C 13 174.473 0.001 A 34 GLY CA C 13 45.713 0.001 A 34 GLY N N 15 114.645 0.001 A 35 LEU H H 1 7.010 0.002 A 35 LEU HA H 1 3.527 0.001 A 35 LEU HB2 H 1 2.086 0.008 A 35 LEU HB3 H 1 1.456 0.002 A 35 LEU HD1% H 1 0.704 0.001 A 35 LEU HD2% H 1 0.572 0.002 A 35 LEU HG H 1 1.115 0.008 A 35 LEU C C 13 176.507 0.001 A 35 LEU CA C 13 57.459 0.001 A 35 LEU CB C 13 43.808 0.001 A 35 LEU CD1 C 13 26.583 0.001 A 35 LEU CD2 C 13 23.869 0.001 A 35 LEU CG C 13 26.652 0.001 A 35 LEU N N 15 117.774 0.001 A 36 PHE H H 1 8.694 0.001 A 36 PHE HA H 1 3.848 0.001 A 36 PHE HB2 H 1 3.185 0.001 A 36 PHE HB3 H 1 2.770 0.001 A 36 PHE HD1 H 1 7.305 0.001 A 36 PHE HD2 H 1 7.305 0.001 A 36 PHE HE1 H 1 6.773 0.001 A 36 PHE HE2 H 1 6.773 0.001 A 36 PHE C C 13 176.553 0.001 A 36 PHE CA C 13 59.702 0.001 A 36 PHE CB C 13 36.223 0.001 A 36 PHE N N 15 113.600 0.001 A 37 GLY H H 1 8.839 0.001 A 37 GLY HA2 H 1 3.432 0.001 A 37 GLY HA3 H 1 4.428 0.001 A 37 GLY C C 13 173.382 0.001 A 37 GLY CA C 13 44.455 0.001 A 37 GLY N N 15 112.857 0.001 A 38 ARG H H 1 8.215 0.001 A 38 ARG HA H 1 4.449 0.001 A 38 ARG HB2 H 1 2.084 0.001 A 38 ARG HB3 H 1 2.084 0.001 A 38 ARG HD2 H 1 3.169 0.001 A 38 ARG HD3 H 1 3.080 0.001 A 38 ARG HE H 1 6.230 0.001 A 38 ARG HG2 H 1 2.143 0.001 A 38 ARG HG3 H 1 1.833 0.001 A 38 ARG C C 13 174.415 0.001 A 38 ARG CA C 13 55.764 0.001 A 38 ARG CB C 13 32.411 0.001 A 38 ARG CD C 13 45.037 0.001 A 38 ARG CG C 13 26.072 0.001 A 38 ARG N N 15 124.035 0.001 A 39 LYS H H 1 8.147 0.002 A 39 LYS HA H 1 4.847 0.001 A 39 LYS HB2 H 1 1.670 0.001 A 39 LYS HB3 H 1 1.475 0.001 A 39 LYS HD2 H 1 1.503 0.001 A 39 LYS HD3 H 1 1.503 0.001 A 39 LYS HE2 H 1 2.799 0.002 A 39 LYS HE3 H 1 2.799 0.002 A 39 LYS HG2 H 1 1.322 0.001 A 39 LYS HG3 H 1 1.322 0.001 A 39 LYS C C 13 172.219 0.001 A 39 LYS CA C 13 55.199 0.001 A 39 LYS CB C 13 33.682 0.001 A 39 LYS CD C 13 29.200 0.001 A 39 LYS CE C 13 41.608 0.001 A 39 LYS CG C 13 25.303 0.001 A 39 LYS N N 15 123.290 0.001 A 40 THR H H 1 7.804 0.003 A 40 THR HA H 1 4.463 0.002 A 40 THR HB H 1 4.214 0.001 A 40 THR HG2% H 1 0.825 0.003 A 40 THR C C 13 175.638 0.001 A 40 THR CA C 13 61.920 0.001 A 40 THR CB C 13 68.539 0.001 A 40 THR CG2 C 13 22.233 0.001 A 40 THR N N 15 113.158 0.001 A 41 GLY H H 1 9.040 0.007 A 41 GLY HA2 H 1 3.591 0.001 A 41 GLY HA3 H 1 3.700 0.001 A 41 GLY C C 13 174.720 0.001 A 41 GLY CA C 13 46.409 0.001 A 41 GLY N N 15 111.811 0.001 A 42 GLN H H 1 8.084 0.001 A 42 GLN HA H 1 4.354 0.001 A 42 GLN HB2 H 1 2.181 0.001 A 42 GLN HB3 H 1 1.832 0.001 A 42 GLN HE21 H 1 6.783 0.001 A 42 GLN HE22 H 1 7.470 0.001 A 42 GLN HG2 H 1 2.206 0.001 A 42 GLN HG3 H 1 2.145 0.001 A 42 GLN C C 13 175.152 0.001 A 42 GLN CA C 13 54.615 0.001 A 42 GLN CB C 13 28.977 0.001 A 42 GLN CG C 13 33.733 0.001 A 42 GLN N N 15 117.180 0.001 A 42 GLN NE2 N 15 112.579 0.001 A 43 ALA H H 1 8.063 0.002 A 43 ALA HA H 1 4.536 0.001 A 43 ALA HB% H 1 1.290 0.001 A 43 ALA C C 13 175.308 0.001 A 43 ALA CA C 13 49.991 0.001 A 43 ALA CB C 13 18.488 0.001 A 43 ALA N N 15 125.825 0.001 A 44 PRO HA H 1 4.356 0.001 A 44 PRO HB2 H 1 1.870 0.001 A 44 PRO HB3 H 1 2.147 0.001 A 44 PRO HD2 H 1 3.658 0.001 A 44 PRO HD3 H 1 3.949 0.001 A 44 PRO HG2 H 1 1.934 0.001 A 44 PRO HG3 H 1 2.064 0.001 A 44 PRO C C 13 178.294 0.001 A 44 PRO CA C 13 63.456 0.001 A 44 PRO CB C 13 31.514 0.001 A 44 PRO CD C 13 50.659 0.001 A 44 PRO CG C 13 27.383 0.001 A 45 GLY H H 1 8.831 0.001 A 45 GLY HA2 H 1 3.723 0.001 A 45 GLY HA3 H 1 4.098 0.001 A 45 GLY C C 13 173.301 0.001 A 45 GLY CA C 13 45.350 0.001 A 45 GLY N N 15 112.024 0.001 A 46 TYR H H 1 7.661 0.001 A 46 TYR HA H 1 4.192 0.001 A 46 TYR HB2 H 1 2.720 0.001 A 46 TYR HB3 H 1 2.720 0.001 A 46 TYR HD1 H 1 6.744 0.001 A 46 TYR HD2 H 1 6.744 0.001 A 46 TYR HE1 H 1 6.704 0.001 A 46 TYR HE2 H 1 6.704 0.001 A 46 TYR C C 13 174.910 0.001 A 46 TYR CA C 13 57.515 0.001 A 46 TYR CB C 13 39.539 0.001 A 46 TYR N N 15 120.307 0.001 A 47 SER H H 1 6.579 0.001 A 47 SER HA H 1 4.151 0.001 A 47 SER HB2 H 1 3.486 0.001 A 47 SER HB3 H 1 3.486 0.001 A 48 1PA HD% H 1 7.206 0.001 A 48 1PA HE% H 1 7.165 0.001 A 49 THR HA H 1 4.330 0.001 A 49 THR HB H 1 4.445 0.001 A 49 THR HG2% H 1 1.377 0.001 A 49 THR C C 13 175.235 0.001 A 49 THR CA C 13 61.555 0.001 A 49 THR CB C 13 70.660 0.001 A 49 THR CG2 C 13 21.696 0.001 A 50 ALA H H 1 8.507 0.001 A 50 ALA HA H 1 4.166 0.001 A 50 ALA HB% H 1 1.360 0.002 A 50 ALA C C 13 178.430 0.001 A 50 ALA CA C 13 53.813 0.001 A 50 ALA CB C 13 17.942 0.001 A 50 ALA N N 15 125.381 0.001 A 51 ALA HA H 1 3.993 0.001 A 51 ALA HB% H 1 1.253 0.001 A 51 ALA C C 13 178.634 0.001 A 51 ALA CA C 13 53.932 0.001 A 51 ALA CB C 13 18.249 0.001 A 52 ASN H H 1 8.286 0.001 A 52 ASN HA H 1 4.329 0.001 A 52 ASN HB2 H 1 2.949 0.002 A 52 ASN HB3 H 1 2.825 0.001 A 52 ASN C C 13 176.255 0.001 A 52 ASN CA C 13 55.769 0.001 A 52 ASN CB C 13 39.253 0.001 A 52 ASN N N 15 117.178 0.001 A 53 LYS H H 1 8.152 0.001 A 53 LYS HA H 1 3.728 0.001 A 53 LYS HB2 H 1 1.813 0.001 A 53 LYS HB3 H 1 1.742 0.002 A 53 LYS HD2 H 1 1.600 0.001 A 53 LYS HD3 H 1 1.600 0.001 A 53 LYS HE2 H 1 2.839 0.001 A 53 LYS HE3 H 1 2.839 0.001 A 53 LYS HG2 H 1 1.444 0.001 A 53 LYS HG3 H 1 1.444 0.001 A 53 LYS C C 13 177.676 0.001 A 53 LYS CA C 13 58.402 0.001 A 53 LYS CB C 13 32.296 0.001 A 53 LYS CD C 13 29.089 0.001 A 53 LYS CE C 13 41.778 0.001 A 53 LYS CG C 13 24.108 0.001 A 53 LYS N N 15 120.164 0.001 A 54 ASN H H 1 8.553 0.001 A 54 ASN HA H 1 4.389 0.001 A 54 ASN HB2 H 1 2.685 0.001 A 54 ASN HB3 H 1 2.685 0.001 A 54 ASN HD21 H 1 6.854 0.001 A 54 ASN HD22 H 1 7.423 0.001 A 54 ASN C C 13 175.501 0.001 A 54 ASN CA C 13 53.488 0.001 A 54 ASN CB C 13 38.101 0.001 A 54 ASN N N 15 116.286 0.001 A 54 ASN ND2 N 15 111.964 0.001 A 55 LYS H H 1 7.634 0.001 A 55 LYS HA H 1 4.032 0.002 A 55 LYS HB2 H 1 1.858 0.001 A 55 LYS HB3 H 1 1.646 0.001 A 55 LYS HG2 H 1 1.516 0.001 A 55 LYS HG3 H 1 1.516 0.001 A 55 LYS C C 13 177.422 0.001 A 55 LYS CA C 13 56.818 0.001 A 55 LYS CB C 13 31.536 0.001 A 55 LYS CD C 13 28.097 0.001 A 55 LYS CG C 13 24.386 0.001 A 55 LYS N N 15 121.354 0.001 A 56 GLY HA2 H 1 3.748 0.001 A 56 GLY HA3 H 1 3.637 0.001 A 56 GLY CA C 13 46.052 0.001 A 57 ILE HA H 1 4.042 0.001 A 57 ILE HB H 1 1.471 0.001 A 57 ILE HD1% H 1 -0.363 0.001 A 57 ILE HG12 H 1 0.752 0.005 A 57 ILE HG13 H 1 0.806 0.001 A 57 ILE HG2% H 1 0.306 0.001 A 57 ILE C C 13 173.923 0.001 A 57 ILE CA C 13 58.621 0.001 A 57 ILE CB C 13 38.366 0.001 A 57 ILE CD1 C 13 12.910 0.001 A 57 ILE CG1 C 13 27.181 0.001 A 57 ILE CG2 C 13 17.095 0.001 A 58 ILE H H 1 7.988 0.002 A 58 ILE HA H 1 4.082 0.001 A 58 ILE HB H 1 1.491 0.001 A 58 ILE HD1% H 1 0.616 0.001 A 58 ILE HG12 H 1 1.351 0.001 A 58 ILE HG13 H 1 0.834 0.003 A 58 ILE HG2% H 1 0.613 0.002 A 58 ILE C C 13 177.495 0.001 A 58 ILE CA C 13 58.867 0.001 A 58 ILE CB C 13 38.504 0.001 A 58 ILE CD1 C 13 12.387 0.001 A 58 ILE CG1 C 13 27.350 0.001 A 58 ILE CG2 C 13 17.084 0.001 A 58 ILE N N 15 121.053 0.001 A 59 TRP H H 1 8.931 0.001 A 59 TRP HA H 1 4.829 0.003 A 59 TRP HB2 H 1 3.739 0.005 A 59 TRP HB3 H 1 2.438 0.001 A 59 TRP HD1 H 1 6.889 0.001 A 59 TRP HE1 H 1 10.179 0.001 A 59 TRP HE3 H 1 7.472 0.005 A 59 TRP HH2 H 1 5.578 0.003 A 59 TRP HZ2 H 1 6.956 0.002 A 59 TRP HZ3 H 1 6.532 0.004 A 59 TRP C C 13 175.793 0.001 A 59 TRP CA C 13 57.229 0.001 A 59 TRP CB C 13 29.908 0.001 A 59 TRP N N 15 130.896 0.006 A 59 TRP NE1 N 15 127.918 0.001 A 60 GLY H H 1 7.839 0.002 A 60 GLY HA2 H 1 3.832 0.005 A 60 GLY HA3 H 1 4.110 0.001 A 60 GLY C C 13 171.636 0.001 A 60 GLY CA C 13 44.214 0.001 A 60 GLY N N 15 111.218 0.001 A 61 GLU H H 1 9.619 0.003 A 61 GLU HA H 1 3.858 0.001 A 61 GLU HB2 H 1 2.113 0.003 A 61 GLU HB3 H 1 2.113 0.003 A 61 GLU HG2 H 1 2.376 0.003 A 61 GLU HG3 H 1 2.306 0.001 A 61 GLU C C 13 177.011 0.001 A 61 GLU CA C 13 62.088 0.001 A 61 GLU CB C 13 29.364 0.001 A 61 GLU CG C 13 37.068 0.001 A 61 GLU N N 15 120.606 0.001 A 62 ASP H H 1 8.396 0.001 A 62 ASP HA H 1 4.334 0.001 A 62 ASP HB2 H 1 2.705 0.001 A 62 ASP HB3 H 1 2.626 0.001 A 62 ASP C C 13 179.228 0.001 A 62 ASP CA C 13 57.208 0.001 A 62 ASP CB C 13 39.477 0.001 A 62 ASP N N 15 114.943 0.001 A 63 THR H H 1 8.246 0.002 A 63 THR HA H 1 4.116 0.001 A 63 THR HB H 1 4.339 0.001 A 63 THR HG2% H 1 1.276 0.002 A 63 THR C C 13 177.971 0.001 A 63 THR CA C 13 63.601 0.001 A 63 THR CB C 13 68.918 0.001 A 63 THR CG2 C 13 23.584 0.001 A 63 THR N N 15 112.857 0.001 A 64 LEU H H 1 8.809 0.007 A 64 LEU HA H 1 4.233 0.004 A 64 LEU HB2 H 1 1.991 0.001 A 64 LEU HB3 H 1 1.156 0.001 A 64 LEU HD1% H 1 0.637 0.004 A 64 LEU HD2% H 1 0.637 0.004 A 64 LEU HG H 1 0.373 0.006 A 64 LEU C C 13 178.628 0.001 A 64 LEU CA C 13 58.314 0.001 A 64 LEU CB C 13 42.355 0.001 A 64 LEU CD1 C 13 24.353 0.001 A 64 LEU CD2 C 13 24.438 0.001 A 64 LEU CG C 13 26.849 0.001 A 64 LEU N N 15 121.355 0.001 A 65 MET H H 1 7.934 0.002 A 65 MET HA H 1 3.896 0.001 A 65 MET HB2 H 1 2.356 0.001 A 65 MET HB3 H 1 2.031 0.001 A 65 MET HG2 H 1 2.766 0.001 A 65 MET HG3 H 1 2.542 0.001 A 65 MET C C 13 177.782 0.001 A 65 MET CA C 13 57.910 0.001 A 65 MET CB C 13 31.019 0.001 A 65 MET CG C 13 32.089 0.001 A 65 MET N N 15 118.519 0.001 A 66 GLU H H 1 6.795 0.001 A 66 GLU HA H 1 3.958 0.001 A 66 GLU HB2 H 1 1.590 0.001 A 66 GLU HB3 H 1 1.453 0.002 A 66 GLU HG2 H 1 1.874 0.002 A 66 GLU HG3 H 1 1.853 0.002 A 66 GLU C C 13 178.928 0.001 A 66 GLU CA C 13 58.103 0.001 A 66 GLU CB C 13 29.676 0.001 A 66 GLU CG C 13 35.887 0.001 A 66 GLU N N 15 117.027 0.001 A 67 TYR H H 1 8.170 0.001 A 67 TYR HA H 1 3.501 0.001 A 67 TYR HB2 H 1 3.216 0.001 A 67 TYR HB3 H 1 2.562 0.001 A 67 TYR HD1 H 1 7.091 0.001 A 67 TYR HD2 H 1 7.091 0.001 A 67 TYR HE1 H 1 6.536 0.001 A 67 TYR HE2 H 1 6.536 0.001 A 67 TYR C C 13 176.312 0.001 A 67 TYR CA C 13 59.911 0.001 A 67 TYR CB C 13 40.118 0.001 A 67 TYR N N 15 120.608 0.001 A 68 LEU H H 1 8.108 0.002 A 68 LEU HA H 1 2.986 0.001 A 68 LEU HB2 H 1 1.588 0.001 A 68 LEU HB3 H 1 0.983 0.005 A 68 LEU HD1% H 1 0.215 0.004 A 68 LEU HD2% H 1 0.215 0.004 A 68 LEU HG H 1 0.967 0.001 A 68 LEU C C 13 176.652 0.001 A 68 LEU CA C 13 55.211 0.001 A 68 LEU CB C 13 41.188 0.001 A 68 LEU CD1 C 13 21.682 0.001 A 68 LEU CD2 C 13 21.583 0.001 A 68 LEU CG C 13 25.795 0.001 A 68 LEU N N 15 109.278 0.001 A 69 GLU H H 1 6.783 0.001 A 69 GLU HA H 1 3.860 0.002 A 69 GLU HB2 H 1 1.920 0.001 A 69 GLU HB3 H 1 1.607 0.001 A 69 GLU HG2 H 1 2.016 0.002 A 69 GLU HG3 H 1 2.075 0.001 A 69 GLU C C 13 176.033 0.001 A 69 GLU CA C 13 58.526 0.001 A 69 GLU CB C 13 29.549 0.001 A 69 GLU CG C 13 36.287 0.001 A 69 GLU N N 15 119.118 0.001 A 70 ASN H H 1 6.092 0.005 A 70 ASN HA H 1 4.131 0.001 A 70 ASN HB2 H 1 2.682 0.002 A 70 ASN HB3 H 1 2.682 0.002 A 70 ASN HD21 H 1 6.570 0.002 A 70 ASN HD22 H 1 7.660 0.002 A 70 ASN C C 13 172.247 0.001 A 70 ASN CA C 13 51.365 0.001 A 70 ASN CB C 13 36.797 0.001 A 70 ASN N N 15 105.553 0.001 A 70 ASN ND2 N 15 111.664 0.029 A 71 PRO HA H 1 3.517 0.001 A 71 PRO HB2 H 1 0.786 0.002 A 71 PRO HB3 H 1 0.277 0.002 A 71 PRO HD2 H 1 2.971 0.002 A 71 PRO HD3 H 1 2.674 0.003 A 71 PRO HG2 H 1 0.605 0.001 A 71 PRO HG3 H 1 -0.006 0.001 A 71 PRO C C 13 176.414 0.001 A 71 PRO CA C 13 65.672 0.001 A 71 PRO CB C 13 29.935 0.001 A 71 PRO CD C 13 48.776 0.001 A 71 PRO CG C 13 26.324 0.001 A 72 LYS H H 1 7.457 0.001 A 72 LYS HA H 1 3.715 0.001 A 72 LYS HB2 H 1 1.507 0.001 A 72 LYS HB3 H 1 1.398 0.001 A 72 LYS HD2 H 1 1.383 0.001 A 72 LYS HD3 H 1 1.383 0.001 A 72 LYS HE2 H 1 2.701 0.001 A 72 LYS HE3 H 1 2.701 0.001 A 72 LYS HG2 H 1 1.158 0.003 A 72 LYS HG3 H 1 1.084 0.001 A 72 LYS C C 13 177.234 0.001 A 72 LYS CA C 13 57.046 0.001 A 72 LYS CB C 13 31.565 0.001 A 72 LYS CD C 13 29.146 0.001 A 72 LYS CE C 13 41.563 0.001 A 72 LYS CG C 13 24.417 0.001 A 72 LYS N N 15 113.454 0.001 A 73 LYS H H 1 6.855 0.001 A 73 LYS HA H 1 3.790 0.001 A 73 LYS HB2 H 1 1.461 0.001 A 73 LYS HB3 H 1 1.461 0.001 A 73 LYS HD2 H 1 1.515 0.001 A 73 LYS HD3 H 1 1.515 0.001 A 73 LYS HE2 H 1 2.713 0.001 A 73 LYS HE3 H 1 2.713 0.001 A 73 LYS HG2 H 1 1.199 0.003 A 73 LYS HG3 H 1 1.199 0.003 A 73 LYS C C 13 176.890 0.001 A 73 LYS CA C 13 57.407 0.001 A 73 LYS CB C 13 32.899 0.001 A 73 LYS CD C 13 29.202 0.001 A 73 LYS CE C 13 41.769 0.001 A 73 LYS CG C 13 24.651 0.001 A 73 LYS N N 15 118.522 0.001 A 74 TYR H H 1 7.219 0.001 A 74 TYR HA H 1 4.231 0.003 A 74 TYR HB2 H 1 3.113 0.001 A 74 TYR HB3 H 1 3.001 0.001 A 74 TYR HD1 H 1 7.105 0.001 A 74 TYR HD2 H 1 7.105 0.001 A 74 TYR HE1 H 1 6.507 0.001 A 74 TYR HE2 H 1 6.507 0.001 A 74 TYR C C 13 175.794 0.001 A 74 TYR CA C 13 60.721 0.001 A 74 TYR CB C 13 39.536 0.001 A 74 TYR N N 15 118.674 0.001 A 75 ILE H H 1 8.189 0.001 A 75 ILE HA H 1 4.067 0.001 A 75 ILE HB H 1 1.770 0.003 A 75 ILE HD1% H 1 0.777 0.001 A 75 ILE HG12 H 1 0.627 0.004 A 75 ILE HG13 H 1 0.627 0.004 A 75 ILE HG2% H 1 0.603 0.001 A 75 ILE C C 13 179.773 0.001 A 75 ILE CA C 13 58.474 0.001 A 75 ILE CB C 13 37.615 0.001 A 75 ILE CD1 C 13 12.517 0.001 A 75 ILE CG1 C 13 27.194 0.001 A 75 ILE CG2 C 13 17.807 0.001 A 75 ILE N N 15 114.346 0.001 A 76 PRO HA H 1 4.477 0.001 A 76 PRO HB2 H 1 2.110 0.001 A 76 PRO HB3 H 1 1.622 0.001 A 76 PRO HD2 H 1 3.330 0.001 A 76 PRO HD3 H 1 3.129 0.001 A 76 PRO HG2 H 1 1.846 0.001 A 76 PRO HG3 H 1 1.777 0.001 A 76 PRO C C 13 178.583 0.001 A 76 PRO CA C 13 64.021 0.001 A 76 PRO CB C 13 31.137 0.001 A 76 PRO CD C 13 49.303 0.009 A 76 PRO CG C 13 27.154 0.001 A 77 GLY H H 1 8.563 0.001 A 77 GLY HA2 H 1 3.721 0.001 A 77 GLY HA3 H 1 3.852 0.001 A 77 GLY C C 13 174.866 0.001 A 77 GLY CA C 13 44.314 0.001 A 77 GLY N N 15 108.831 0.001 A 78 THR H H 1 7.922 0.001 A 78 THR HA H 1 4.226 0.001 A 78 THR HB H 1 4.167 0.001 A 78 THR HG2% H 1 0.672 0.001 A 78 THR C C 13 173.114 0.001 A 78 THR CA C 13 61.759 0.001 A 78 THR CB C 13 67.910 0.061 A 78 THR CG2 C 13 18.913 0.001 A 78 THR N N 15 115.541 0.001 A 79 LYS HA H 1 4.381 0.001 A 79 LYS HB2 H 1 2.131 0.001 A 79 LYS HB3 H 1 2.072 0.001 A 79 LYS HD2 H 1 1.876 0.001 A 79 LYS HD3 H 1 1.792 0.001 A 79 LYS HE2 H 1 3.440 0.001 A 79 LYS HE3 H 1 3.233 0.001 A 79 LYS HG2 H 1 1.784 0.001 A 79 LYS HG3 H 1 1.605 0.001 A 79 LYS C C 13 175.845 0.001 A 79 LYS CA C 13 55.526 0.001 A 79 LYS CB C 13 32.303 0.001 A 79 LYS CD C 13 29.109 0.001 A 79 LYS CE C 13 42.195 0.001 A 79 LYS CG C 13 24.902 0.001 A 80 MET H H 1 7.384 0.001 A 80 MET HA H 1 2.934 0.001 A 80 MET HB2 H 1 -0.261 0.001 A 80 MET HB3 H 1 -2.814 0.001 A 80 MET HE% H 1 -3.429 0.001 A 80 MET HG2 H 1 -2.050 0.001 A 80 MET HG3 H 1 -3.750 0.001 A 80 MET C C 13 171.833 0.001 A 80 MET CA C 13 55.863 0.001 A 80 MET CB C 13 27.552 0.001 A 80 MET N N 15 123.515 0.001 A 81 ILE H H 1 7.856 0.003 A 81 ILE HA H 1 3.485 0.001 A 81 ILE HB H 1 1.961 0.001 A 81 ILE HD1% H 1 0.618 0.001 A 81 ILE HG12 H 1 1.348 0.005 A 81 ILE HG13 H 1 1.118 0.001 A 81 ILE HG2% H 1 0.667 0.001 A 81 ILE C C 13 173.220 0.001 A 81 ILE CA C 13 59.285 0.030 A 81 ILE CB C 13 34.612 0.001 A 81 ILE CD1 C 13 10.665 0.001 A 81 ILE CG1 C 13 26.036 0.041 A 81 ILE CG2 C 13 16.961 0.001 A 81 ILE N N 15 130.146 0.001 A 82 PHE H H 1 6.529 0.006 A 82 PHE HA H 1 4.327 0.001 A 82 PHE HB2 H 1 2.022 0.001 A 82 PHE HB3 H 1 0.423 0.001 A 82 PHE HD1 H 1 6.580 0.001 A 82 PHE HD2 H 1 6.580 0.001 A 82 PHE HE1 H 1 7.276 0.001 A 82 PHE HE2 H 1 7.276 0.001 A 82 PHE HZ H 1 7.106 0.001 A 82 PHE C C 13 174.333 0.001 A 82 PHE CA C 13 56.578 0.004 A 82 PHE CB C 13 40.644 0.001 A 82 PHE N N 15 123.143 0.001 A 83 VAL H H 1 7.739 0.003 A 83 VAL HA H 1 3.286 0.001 A 83 VAL HB H 1 1.673 0.003 A 83 VAL HG1% H 1 0.613 0.002 A 83 VAL HG2% H 1 0.613 0.002 A 83 VAL C C 13 174.444 0.001 A 83 VAL CA C 13 64.273 0.001 A 83 VAL CB C 13 31.352 0.001 A 83 VAL CG1 C 13 19.775 0.001 A 83 VAL CG2 C 13 19.675 0.001 A 83 VAL N N 15 125.079 0.001 A 84 GLY HA2 H 1 2.851 0.001 A 84 GLY HA3 H 1 4.194 0.001 A 84 GLY C C 13 172.113 0.001 A 84 GLY CA C 13 42.836 0.001 A 85 ILE H H 1 8.327 0.001 A 85 ILE HA H 1 4.136 0.001 A 85 ILE HB H 1 1.356 0.001 A 85 ILE HD1% H 1 0.892 0.001 A 85 ILE HG12 H 1 1.616 0.001 A 85 ILE HG13 H 1 1.174 0.001 A 85 ILE HG2% H 1 0.933 0.002 A 85 ILE C C 13 175.103 0.001 A 85 ILE CA C 13 59.390 0.001 A 85 ILE CB C 13 39.528 0.001 A 85 ILE CD1 C 13 14.053 0.001 A 85 ILE CG1 C 13 26.889 0.001 A 85 ILE CG2 C 13 18.367 0.001 A 85 ILE N N 15 120.758 0.001 A 86 LYS H H 1 8.518 0.001 A 86 LYS HA H 1 3.972 0.002 A 86 LYS HB2 H 1 1.699 0.001 A 86 LYS HB3 H 1 1.699 0.001 A 86 LYS HE2 H 1 2.831 0.001 A 86 LYS HE3 H 1 2.831 0.001 A 86 LYS C C 13 178.442 0.001 A 86 LYS CA C 13 58.619 0.001 A 86 LYS CB C 13 32.343 0.001 A 86 LYS CD C 13 29.648 0.001 A 86 LYS CE C 13 41.883 0.001 A 86 LYS CG C 13 24.348 0.001 A 86 LYS N N 15 127.466 0.001 A 87 LYS H H 1 8.368 0.001 A 87 LYS HA H 1 4.247 0.001 A 87 LYS HB2 H 1 1.789 0.001 A 87 LYS HB3 H 1 1.674 0.001 A 87 LYS HD2 H 1 1.641 0.001 A 87 LYS HD3 H 1 1.641 0.001 A 87 LYS HE2 H 1 2.913 0.001 A 87 LYS HE3 H 1 2.913 0.001 A 87 LYS HG2 H 1 1.539 0.002 A 87 LYS HG3 H 1 1.391 0.002 A 87 LYS C C 13 177.569 0.001 A 87 LYS CA C 13 56.865 0.001 A 87 LYS CB C 13 32.531 0.001 A 87 LYS CD C 13 29.020 0.001 A 87 LYS CE C 13 41.848 0.001 A 87 LYS CG C 13 25.344 0.001 A 87 LYS N N 15 120.309 0.001 A 88 LYS H H 1 9.151 0.004 A 88 LYS HA H 1 3.562 0.001 A 88 LYS HB2 H 1 1.781 0.001 A 88 LYS HB3 H 1 1.699 0.001 A 88 LYS HD2 H 1 1.538 0.001 A 88 LYS HD3 H 1 1.538 0.001 A 88 LYS HE2 H 1 2.857 0.001 A 88 LYS HE3 H 1 2.857 0.001 A 88 LYS HG2 H 1 1.321 0.001 A 88 LYS HG3 H 1 1.321 0.001 A 88 LYS C C 13 177.664 0.001 A 88 LYS CA C 13 60.314 0.001 A 88 LYS CB C 13 32.083 0.001 A 88 LYS CD C 13 29.271 0.001 A 88 LYS CE C 13 41.650 0.001 A 88 LYS CG C 13 24.802 0.001 A 88 LYS N N 15 129.999 0.001 A 89 GLU H H 1 9.462 0.009 A 89 GLU HA H 1 3.899 0.001 A 89 GLU HB2 H 1 1.920 0.002 A 89 GLU HB3 H 1 1.920 0.002 A 89 GLU HG2 H 1 2.320 0.001 A 89 GLU HG3 H 1 2.253 0.001 A 89 GLU C C 13 177.911 0.001 A 89 GLU CA C 13 59.760 0.001 A 89 GLU CB C 13 28.814 0.001 A 89 GLU CG C 13 36.428 0.001 A 89 GLU N N 15 117.925 0.001 A 90 GLU H H 1 6.347 0.005 A 90 GLU HA H 1 4.198 0.001 A 90 GLU HB2 H 1 1.999 0.002 A 90 GLU HB3 H 1 1.919 0.001 A 90 GLU HG2 H 1 2.316 0.001 A 90 GLU HG3 H 1 2.253 0.001 A 90 GLU C C 13 178.730 0.001 A 90 GLU CA C 13 58.277 0.001 A 90 GLU CB C 13 29.990 0.001 A 90 GLU CG C 13 36.943 0.001 A 90 GLU N N 15 116.437 0.001 A 91 ARG H H 1 7.423 0.001 A 91 ARG HA H 1 3.740 0.002 A 91 ARG HB2 H 1 2.083 0.002 A 91 ARG HB3 H 1 1.830 0.001 A 91 ARG HD2 H 1 3.266 0.001 A 91 ARG HD3 H 1 3.179 0.001 A 91 ARG HE H 1 6.206 0.001 A 91 ARG HG2 H 1 1.706 0.001 A 91 ARG HG3 H 1 1.180 0.001 A 91 ARG C C 13 177.430 0.001 A 91 ARG CA C 13 61.182 0.001 A 91 ARG CB C 13 31.106 0.001 A 91 ARG CD C 13 43.817 0.043 A 91 ARG CG C 13 29.904 0.001 A 91 ARG N N 15 117.405 0.001 A 92 ALA H H 1 8.668 0.001 A 92 ALA HA H 1 3.970 0.001 A 92 ALA HB% H 1 1.426 0.002 A 92 ALA C C 13 181.044 0.001 A 92 ALA CA C 13 55.281 0.001 A 92 ALA CB C 13 17.539 0.001 A 92 ALA N N 15 120.161 0.001 A 93 ASP H H 1 8.153 0.001 A 93 ASP HA H 1 4.208 0.003 A 93 ASP HB2 H 1 2.604 0.002 A 93 ASP HB3 H 1 2.604 0.002 A 93 ASP C C 13 177.634 0.001 A 93 ASP CA C 13 58.147 0.001 A 93 ASP CB C 13 39.552 0.001 A 93 ASP N N 15 122.101 0.001 A 94 LEU H H 1 8.183 0.001 A 94 LEU HA H 1 4.205 0.002 A 94 LEU HB2 H 1 2.250 0.002 A 94 LEU HB3 H 1 1.746 0.002 A 94 LEU HD1% H 1 1.001 0.001 A 94 LEU HD2% H 1 1.001 0.001 A 94 LEU HG H 1 1.415 0.002 A 94 LEU C C 13 178.395 0.001 A 94 LEU CA C 13 58.295 0.001 A 94 LEU CB C 13 41.711 0.001 A 94 LEU CD1 C 13 27.558 0.001 A 94 LEU CD2 C 13 24.198 0.001 A 94 LEU CG C 13 28.716 0.001 A 94 LEU N N 15 121.208 0.001 A 95 ILE H H 1 8.974 0.001 A 95 ILE HA H 1 3.609 0.002 A 95 ILE HB H 1 1.955 0.001 A 95 ILE HD1% H 1 0.882 0.001 A 95 ILE HG12 H 1 1.884 0.001 A 95 ILE HG13 H 1 0.956 0.001 A 95 ILE HG2% H 1 1.115 0.001 A 95 ILE C C 13 176.351 0.001 A 95 ILE CA C 13 66.222 0.001 A 95 ILE CB C 13 37.668 0.001 A 95 ILE CD1 C 13 14.288 0.001 A 95 ILE CG1 C 13 31.889 0.001 A 95 ILE CG2 C 13 17.883 0.001 A 95 ILE N N 15 120.159 0.001 A 96 ALA H H 1 7.974 0.002 A 96 ALA HA H 1 4.026 0.002 A 96 ALA HB% H 1 1.314 0.002 A 96 ALA C C 13 180.700 0.001 A 96 ALA CA C 13 54.933 0.001 A 96 ALA CB C 13 16.970 0.001 A 96 ALA N N 15 123.001 0.001 A 97 TYR H H 1 8.089 0.005 A 97 TYR HA H 1 4.197 0.001 A 97 TYR HB2 H 1 3.582 0.001 A 97 TYR HB3 H 1 3.044 0.001 A 97 TYR HD1 H 1 7.040 0.001 A 97 TYR HD2 H 1 6.491 0.001 A 97 TYR HE1 H 1 6.599 0.001 A 97 TYR HE2 H 1 5.457 0.001 A 97 TYR C C 13 176.278 0.001 A 97 TYR CA C 13 61.456 0.001 A 97 TYR CB C 13 36.943 0.001 A 97 TYR N N 15 118.224 0.001 A 98 LEU H H 1 8.982 0.002 A 98 LEU HA H 1 3.334 0.001 A 98 LEU HB2 H 1 2.216 0.001 A 98 LEU HB3 H 1 1.264 0.002 A 98 LEU HD1% H 1 1.019 0.001 A 98 LEU HD2% H 1 0.544 0.001 A 98 LEU HG H 1 2.106 0.001 A 98 LEU C C 13 179.188 0.001 A 98 LEU CA C 13 57.650 0.001 A 98 LEU CB C 13 41.645 0.001 A 98 LEU CD1 C 13 25.508 0.001 A 98 LEU CD2 C 13 22.455 0.001 A 98 LEU CG C 13 25.694 0.001 A 98 LEU N N 15 119.118 0.001 A 99 LYS H H 1 8.945 0.001 A 99 LYS HA H 1 2.549 0.002 A 99 LYS HB2 H 1 1.482 0.004 A 99 LYS HB3 H 1 1.249 0.002 A 99 LYS HD2 H 1 1.233 0.001 A 99 LYS HD3 H 1 1.180 0.002 A 99 LYS HE2 H 1 2.631 0.002 A 99 LYS HE3 H 1 2.631 0.002 A 99 LYS HG2 H 1 0.712 0.001 A 99 LYS HG3 H 1 0.246 0.003 A 99 LYS C C 13 176.653 0.001 A 99 LYS CA C 13 59.190 0.001 A 99 LYS CB C 13 31.869 0.001 A 99 LYS CD C 13 29.179 0.001 A 99 LYS CE C 13 41.722 0.001 A 99 LYS CG C 13 24.548 0.001 A 99 LYS N N 15 123.889 0.001 A 100 LYS H H 1 6.724 0.006 A 100 LYS HA H 1 3.976 0.002 A 100 LYS HB2 H 1 1.673 0.001 A 100 LYS HB3 H 1 1.642 0.002 A 100 LYS HD2 H 1 1.606 0.002 A 100 LYS HD3 H 1 1.606 0.002 A 100 LYS HE2 H 1 2.885 0.003 A 100 LYS HE3 H 1 2.885 0.003 A 100 LYS HG2 H 1 1.261 0.001 A 100 LYS HG3 H 1 1.119 0.001 A 100 LYS C C 13 178.363 0.001 A 100 LYS CA C 13 57.655 0.001 A 100 LYS CB C 13 33.175 0.001 A 100 LYS CD C 13 29.587 0.001 A 100 LYS CE C 13 41.733 0.001 A 100 LYS CG C 13 24.236 0.001 A 100 LYS N N 15 116.726 0.001 A 101 ALA H H 1 8.539 0.002 A 101 ALA HA H 1 3.795 0.001 A 101 ALA HB% H 1 0.460 0.003 A 101 ALA C C 13 179.576 0.001 A 101 ALA CA C 13 54.401 0.001 A 101 ALA CB C 13 18.353 0.001 A 101 ALA N N 15 119.416 0.001 A 102 THR H H 1 7.810 0.004 A 102 THR HA H 1 4.157 0.001 A 102 THR HB H 1 4.625 0.001 A 102 THR HG2% H 1 0.896 0.002 A 102 THR C C 13 172.872 0.001 A 102 THR CA C 13 61.954 0.001 A 102 THR CB C 13 69.403 0.001 A 102 THR CG2 C 13 21.945 0.001 A 102 THR N N 15 101.974 0.001 A 103 ASN H H 1 6.968 0.007 A 103 ASN HA H 1 4.767 0.001 A 103 ASN HB2 H 1 2.714 0.002 A 103 ASN HB3 H 1 2.387 0.002 A 103 ASN HD21 H 1 6.404 0.002 A 103 ASN HD22 H 1 7.807 0.001 A 103 ASN C C 13 173.663 0.001 A 103 ASN CA C 13 52.469 0.001 A 103 ASN CB C 13 41.376 0.001 A 103 ASN N N 15 118.372 0.001 A 103 ASN ND2 N 15 114.098 0.001 A 104 GLU H H 1 7.157 0.008 A 104 GLU HA H 1 4.135 0.001 A 104 GLU HB2 H 1 1.886 0.001 A 104 GLU HB3 H 1 1.810 0.001 A 104 GLU HG2 H 1 2.169 0.002 A 104 GLU HG3 H 1 2.169 0.002 A 104 GLU C C 13 180.562 0.001 A 104 GLU CA C 13 57.673 0.001 A 104 GLU CB C 13 30.937 0.001 A 104 GLU CG C 13 35.972 0.001 A 104 GLU N N 15 124.633 0.001 B 105 HEM HA6 H 1 4.389 0.001 B 105 HEM HA71 H 1 4.062 0.001 B 105 HEM HA72 H 1 3.311 0.001 B 105 HEM HAM H 1 9.167 0.001 B 105 HEM HB63 H 1 3.680 0.001 B 105 HEM HB64 H 1 2.580 0.001 B 105 HEM HB73 H 1 2.346 0.001 B 105 HEM HB74 H 1 3.001 0.001 B 105 HEM HBM H 1 9.530 0.008 B 105 HEM HDM H 1 8.884 0.001 B 105 HEM HGM H 1 9.571 0.001 B 105 HEM HM1 H 1 3.403 0.001 B 105 HEM HM3 H 1 3.735 0.001 B 105 HEM HM5 H 1 3.342 0.001 B 105 HEM HM8 H 1 2.057 0.001 B 105 HEM HT2 H 1 1.380 0.001 B 105 HEM HT2A H 1 5.109 0.001 B 105 HEM HT4 H 1 2.461 0.001 B 105 HEM HT4A H 1 6.272 0.001 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 95 ILE HA A 96 ALA H 1.0 . 4.51 2 2 A 96 ALA H A 94 LEU H 1.0 . 5.74 3 3 A 96 ALA H A 99 LYS H 1.0 . 5.41 4 4 A 96 ALA H A 97 TYR HB3 1.0 . 5.81 5 5 A 96 ALA H A 100 LYS H 1.0 . 6.50 6 6 A 96 ALA H A 96 ALA HB% 1.0 . 3.06 7 7 A 96 ALA H A 95 ILE HB 1.0 . 3.82 8 8 A 96 ALA H A 98 LEU H 1.0 . 4.93 9 9 A 96 ALA H A 94 LEU HA 1.0 . 4.42 10 10 A 96 ALA H A 95 ILE HG2% 1.0 . 4.30 11 11 A 96 ALA H A 96 ALA HA 1.0 . 3.61 12 12 A 96 ALA H A 94 LEU HB3 1.0 . 5.73 13 13 A 96 ALA H A 93 ASP HB2 1.0 . 5.92 14 13 A 96 ALA H A 93 ASP HB3 1.0 . 5.92 15 14 A 96 ALA H A 97 TYR H 1.0 . 4.20 16 15 A 96 ALA H A 94 LEU HB2 1.0 . 5.42 17 16 A 96 ALA H A 95 ILE HD1% 1.0 . 5.31 18 17 A 96 ALA H A 95 ILE H 1.0 . 4.46 19 18 A 88 LYS HA A 89 GLU H 1.0 . 5.05 20 19 A 89 GLU H A 87 LYS HA 1.0 . 5.12 21 20 A 89 GLU H A 92 ALA HB% 1.0 . 5.36 22 21 A 89 GLU H A 88 LYS HB3 1.0 . 4.14 23 22 A 89 GLU H A 89 GLU HG2 1.0 . 4.52 24 23 A 89 GLU H A 87 LYS HB3 1.0 . 4.41 25 24 A 89 GLU H A 87 LYS HE2 1.0 . 5.73 26 24 A 89 GLU H A 87 LYS HE3 1.0 . 5.73 27 25 A 89 GLU H A 85 ILE HG2% 1.0 . 6.50 28 26 A 89 GLU H A 90 GLU H 1.0 . 4.12 29 27 A 89 GLU H A 88 LYS HD2 1.0 . 4.88 30 27 A 89 GLU H A 88 LYS HD3 1.0 . 4.88 31 28 A 89 GLU H A 89 GLU HB2 1.0 . 3.38 32 28 A 89 GLU H A 89 GLU HB3 1.0 . 3.38 33 29 A 89 GLU H A 87 LYS HG3 1.0 . 4.93 34 30 A 89 GLU H A 89 GLU HA 1.0 . 3.91 35 31 A 89 GLU H A 88 LYS HG2 1.0 . 5.03 36 31 A 89 GLU H A 88 LYS HG3 1.0 . 5.03 37 32 A 89 GLU H A 92 ALA H 1.0 . 6.50 38 33 A 89 GLU H A 91 ARG H 1.0 . 6.05 39 34 A 89 GLU H A 88 LYS H 1.0 . 6.50 40 35 A 78 THR HG2% A 80 MET H 1.0 . 6.50 41 36 A 80 MET H A 80 MET HB2 1.0 . 6.50 42 37 A 96 ALA H A 94 LEU H 1.0 . 5.04 43 38 A 94 LEU H A 9 ILE HG12 1.0 . 4.07 44 39 A 94 LEU H A 94 LEU HA 1.0 . 4.12 45 40 A 94 LEU H A 9 ILE HB 1.0 . 4.75 46 41 A 94 LEU H A 94 LEU HB3 1.0 . 3.58 47 42 A 94 LEU H A 94 LEU HG 1.0 . 4.17 48 43 A 94 LEU H A 6 GLY HA2 1.0 . 4.43 49 44 A 94 LEU H A 92 ALA H 1.0 . 5.39 50 45 A 94 LEU H A 94 LEU HD1% 1.0 . 4.02 51 45 A 94 LEU H A 94 LEU HD2% 1.0 . 4.02 52 46 A 94 LEU H A 93 ASP HB2 1.0 . 3.58 53 46 A 94 LEU H A 93 ASP HB3 1.0 . 3.58 54 47 A 94 LEU H A 91 ARG HA 1.0 . 4.82 55 48 A 94 LEU H A 94 LEU HB2 1.0 . 3.51 56 49 A 94 LEU H A 93 ASP HA 1.0 . 4.33 57 50 A 94 LEU H A 95 ILE H 1.0 . 3.99 58 51 A 17 CYS HB3 A 18 HIS H 1.0 . 4.77 59 52 A 18 HIS H A 17 CYS HA 1.0 . 5.36 60 53 A 18 HIS H A 16 GLN HG2 1.0 . 6.50 61 54 A 18 HIS H A 14 CYS HB2 1.0 . 6.50 62 55 A 18 HIS H A 16 GLN H 1.0 . 5.81 63 56 A 18 HIS H A 17 CYS HB2 1.0 . 5.39 64 57 A 18 HIS H A 15 SER HA 1.0 . 4.18 65 58 A 18 HIS H A 17 CYS H 1.0 . 3.53 66 59 A 18 HIS H A 18 HIS HD2 1.0 . 5.37 67 60 A 18 HIS H A 18 HIS HB3 1.0 . 4.03 68 61 A 18 HIS H A 18 HIS HA 1.0 . 4.50 69 62 A 18 HIS H A 32 LEU HD1% 1.0 . 6.19 70 63 A 18 HIS H A 19 THR H 1.0 . 5.83 71 64 A 18 HIS H A 28 THR HG2% 1.0 . 6.50 72 65 A 18 HIS H A 14 CYS HA 1.0 . 6.50 73 66 A 18 HIS H A 18 HIS HB2 1.0 . 4.06 74 67 A 18 HIS H A 16 GLN HA 1.0 . 5.87 75 68 A 18 HIS H A 28 THR HB 1.0 . 5.82 76 69 A 18 HIS H A 18 HIS HD1 1.0 . 6.50 77 70 A 54 ASN H A 54 ASN HA 1.0 . 6.50 78 71 A 54 ASN H A 53 LYS HB3 1.0 . 6.50 79 72 A 54 ASN H A 54 ASN HB2 1.0 . 5.73 80 72 A 54 ASN H A 54 ASN HB3 1.0 . 5.73 81 73 A 54 ASN H A 53 LYS HB2 1.0 . 6.50 82 74 A 78 THR HG2% A 78 THR H 1.0 . 3.51 83 75 A 78 THR H A 79 LYS HB2 1.0 . 6.50 84 76 A 78 THR H A 77 GLY HA3 1.0 . 5.09 85 77 A 78 THR H A 78 THR HB 1.0 . 3.95 86 78 A 78 THR H A 78 THR HA 1.0 . 5.02 87 79 A 78 THR H A 75 ILE HB 1.0 . 5.67 88 80 A 78 THR H A 79 LYS HG2 1.0 . 6.47 89 81 A 78 THR H A 77 GLY H 1.0 . 4.74 90 82 A 68 LEU H A 68 LEU HG 1.0 . 4.20 91 83 A 68 LEU H A 68 LEU HA 1.0 . 4.35 92 84 A 68 LEU H A 67 TYR HB2 1.0 . 4.48 93 85 A 68 LEU H A 64 LEU HA 1.0 . 5.06 94 86 A 68 LEU H A 67 TYR HE% 1.0 . 6.50 95 87 A 68 LEU H A 68 LEU HB2 1.0 . 3.85 96 88 A 68 LEU H A 65 MET H 1.0 . 6.50 97 89 A 68 LEU H A 68 LEU HD1% 1.0 . 4.57 98 89 A 68 LEU H A 68 LEU HD2% 1.0 . 4.57 99 90 A 68 LEU H A 67 TYR HA 1.0 . 5.34 100 91 A 68 LEU H A 68 LEU HB3 1.0 . 4.54 101 92 A 68 LEU H A 64 LEU HD1% 1.0 . 5.51 102 92 A 68 LEU H A 64 LEU HD2% 1.0 . 5.51 103 93 A 68 LEU H A 67 TYR HD% 1.0 . 6.50 104 94 A 68 LEU H A 70 ASN H 1.0 . 6.49 105 95 A 68 LEU H A 65 MET HA 1.0 . 5.32 106 96 A 68 LEU H A 64 LEU HB3 1.0 . 5.64 107 97 A 68 LEU H A 85 ILE HB 1.0 . 6.04 108 98 A 68 LEU H A 67 TYR HB3 1.0 . 4.27 109 99 A 68 LEU H A 69 GLU H 1.0 . 4.23 110 100 A 68 LEU H A 64 LEU HG 1.0 . 6.50 111 101 A 51 ALA HA A 52 ASN H 1.0 . 5.86 112 102 A 52 ASN H A 75 ILE HG2% 1.0 . 6.50 113 103 A 52 ASN H A 52 ASN HB3 1.0 . 5.55 114 104 A 52 ASN H A 52 ASN HA 1.0 . 6.08 115 105 A 52 ASN H A 50 ALA HB% 1.0 . 6.50 116 106 A 52 ASN H A 52 ASN HB2 1.0 . 5.63 117 107 A 52 ASN H A 51 ALA HB% 1.0 . 4.99 118 108 A 96 ALA H A 99 LYS H 1.0 . 6.50 119 109 A 99 LYS H A 98 LEU HB2 1.0 . 4.16 120 110 A 95 ILE HA A 99 LYS H 1.0 . 5.09 121 111 A 99 LYS H A 99 LYS HD2 1.0 . 3.92 122 112 A 99 LYS H A 98 LEU HD1% 1.0 . 5.16 123 113 A 99 LYS H A 100 LYS H 1.0 . 4.08 124 114 A 99 LYS H A 36 PHE HD% 1.0 . 6.50 125 115 A 99 LYS H A 99 LYS HA 1.0 . 4.06 126 116 A 99 LYS H A 96 ALA HB% 1.0 . 4.82 127 117 A 99 LYS H A 99 LYS HE2 1.0 . 6.50 128 117 A 99 LYS H A 99 LYS HE3 1.0 . 6.50 129 118 A 99 LYS H A 99 LYS HG2 1.0 . 5.19 130 119 A 99 LYS H A 99 LYS HB2 1.0 . 3.64 131 120 A 99 LYS H A 96 ALA HA 1.0 . 4.47 132 121 A 99 LYS H A 98 LEU HD2% 1.0 . 5.80 133 122 A 99 LYS H A 99 LYS HD3 1.0 . 6.50 134 123 A 99 LYS H A 98 LEU HA 1.0 . 5.01 135 124 A 99 LYS H A 98 LEU HB3 1.0 . 4.18 136 125 A 99 LYS H A 103 ASN H 1.0 . 6.12 137 126 A 99 LYS H A 97 TYR H 1.0 . 6.01 138 127 A 99 LYS H A 36 PHE HE% 1.0 . 5.47 139 128 A 99 LYS H A 101 ALA H 1.0 . 6.50 140 129 A 99 LYS H A 99 LYS HG3 1.0 . 5.05 141 130 A 58 ILE HB A 59 TRP H 1.0 . 5.27 142 131 A 59 TRP H A 35 LEU HD2% 1.0 . 5.47 143 132 A 59 TRP H A 59 TRP HE3 1.0 . 6.38 144 133 A 59 TRP H A 58 ILE HD1% 1.0 . 4.73 145 134 A 59 TRP H A 59 TRP HB3 1.0 . 4.63 146 135 A 59 TRP H A 58 ILE HG13 1.0 . 5.43 147 136 A 59 TRP H A 58 ILE H 1.0 . 6.23 148 137 A 59 TRP H A 35 LEU HD1% 1.0 . 5.33 149 138 A 59 TRP H A 58 ILE HA 1.0 . 3.53 150 139 A 59 TRP H A 59 TRP HD1 1.0 . 5.24 151 140 A 59 TRP H A 60 GLY H 1.0 . 5.98 152 141 A 59 TRP H A 58 ILE HG2% 1.0 . 4.66 153 142 A 59 TRP H A 58 ILE HG12 1.0 . 5.79 154 143 A 59 TRP H A 59 TRP HE1 1.0 . 6.50 155 144 A 59 TRP H A 38 ARG H 1.0 . 5.93 156 145 A 59 TRP H A 59 TRP HB2 1.0 . 4.08 157 146 A 24 GLY H A 24 GLY HA2 1.0 . 4.58 158 147 A 24 GLY H A 22 LYS HA 1.0 . 4.18 159 148 A 24 GLY H A 23 GLY HA3 1.0 . 4.84 160 149 A 24 GLY H A 22 LYS HG2 1.0 . 6.50 161 150 A 24 GLY H A 21 GLU HG2 1.0 . 4.66 162 150 A 24 GLY H A 21 GLU HG3 1.0 . 4.66 163 151 A 24 GLY H A 21 GLU HB3 1.0 . 5.66 164 152 A 24 GLY H A 23 GLY HA2 1.0 . 4.94 165 153 A 24 GLY H A 21 GLU HA 1.0 . 6.50 166 154 A 24 GLY H A 22 LYS HB2 1.0 . 6.50 167 155 A 24 GLY H A 22 LYS HG3 1.0 . 6.50 168 156 A 24 GLY H A 24 GLY HA3 1.0 . 4.08 169 157 A 24 GLY H A 21 GLU HB2 1.0 . 5.83 170 158 A 40 THR HA A 41 GLY H 1.0 . 5.73 171 159 A 41 GLY H A 41 GLY HA3 1.0 . 5.46 172 160 A 41 GLY H A 40 THR HG2% 1.0 . 6.50 173 161 A 41 GLY H A 41 GLY HA2 1.0 . 5.62 174 162 A 59 TRP HE1 A 41 GLY H 1.0 . 6.50 175 163 A 41 GLY H A 40 THR HB 1.0 . 6.50 176 164 A 41 GLY H A 42 GLN H 1.0 . 6.39 177 165 A 24 GLY HA2 A 31 ASN HD21 1.0 . 5.58 178 166 A 31 ASN HD21 A 32 LEU HB3 1.0 . 5.59 179 167 A 31 ASN HD21 A 19 THR HB 1.0 . 6.37 180 168 A 24 GLY H A 31 ASN HD21 1.0 . 4.77 181 169 A 31 ASN HD21 A 31 ASN HB3 1.0 . 5.67 182 170 A 31 ASN HD21 A 33 HIS HB2 1.0 . 5.36 183 171 A 31 ASN HD21 A 31 ASN HD22 1.0 . 3.88 184 172 A 31 ASN HD21 A 31 ASN HA 1.0 . 5.24 185 173 A 19 THR H A 31 ASN HD21 1.0 . 6.37 186 174 A 31 ASN HD21 A 25 LYS H 1.0 . 6.50 187 175 A 31 ASN HD21 A 33 HIS HB3 1.0 . 5.45 188 176 A 24 GLY HA3 A 31 ASN HD21 1.0 . 4.61 189 177 A 31 ASN HD21 A 31 ASN HB2 1.0 . 4.94 190 178 A 31 ASN HD21 A 32 LEU H 1.0 . 4.50 191 179 A 20 VAL H A 20 VAL HG2% 1.0 . 3.42 192 180 A 19 THR HB A 20 VAL H 1.0 . 3.68 193 181 A 20 VAL H A 20 VAL HB 1.0 . 4.70 194 182 A 20 VAL H A 21 GLU HG2 1.0 . 5.63 195 182 A 21 GLU HG3 A 20 VAL H 1.0 . 5.63 196 183 A 21 GLU HB3 A 20 VAL H 1.0 . 6.40 197 184 A 21 GLU HA A 20 VAL H 1.0 . 5.04 198 185 A 20 VAL H A 20 VAL HG1% 1.0 . 4.18 199 186 A 18 HIS HA A 20 VAL H 1.0 . 6.50 200 187 A 32 LEU HD1% A 20 VAL H 1.0 . 6.50 201 188 A 20 VAL H A 19 THR HG2% 1.0 . 4.39 202 189 A 20 VAL H A 19 THR HA 1.0 . 3.71 203 190 A 20 VAL H A 22 LYS H 1.0 . 6.50 204 191 A 20 VAL H A 20 VAL HA 1.0 . 4.25 205 192 A 21 GLU HB2 A 20 VAL H 1.0 . 5.83 206 193 A 99 LYS H A 102 THR H 1.0 . 6.50 207 194 A 102 THR H A 103 ASN HB2 1.0 . 6.39 208 195 A 100 LYS H A 102 THR H 1.0 . 5.18 209 196 A 102 THR H A 100 LYS HB3 1.0 . 6.32 210 197 A 99 LYS HA A 102 THR H 1.0 . 5.93 211 198 A 102 THR H A 34 GLY H 1.0 . 6.50 212 199 A 102 THR H A 102 THR HA 1.0 . 4.28 213 200 A 98 LEU H A 102 THR H 1.0 . 6.50 214 201 A 102 THR H A 101 ALA HA 1.0 . 4.48 215 202 A 102 THR H A 102 THR HG2% 1.0 . 3.52 216 203 A 102 THR H A 104 GLU H 1.0 . 5.51 217 204 A 20 VAL HG1% A 102 THR H 1.0 . 6.50 218 205 A 102 THR H A 100 LYS HB2 1.0 . 6.45 219 206 A 98 LEU HA A 102 THR H 1.0 . 4.63 220 207 A 103 ASN H A 102 THR H 1.0 . 3.82 221 208 A 102 THR H A 100 LYS HA 1.0 . 5.73 222 209 A 102 THR H A 103 ASN HB3 1.0 . 6.15 223 210 A 102 THR H A 101 ALA HB% 1.0 . 3.85 224 211 A 101 ALA H A 102 THR H 1.0 . 3.93 225 212 A 73 LYS H A 72 LYS HE2 1.0 . 5.85 226 212 A 72 LYS HE3 A 73 LYS H 1.0 . 5.85 227 213 A 73 LYS H A 74 TYR HB2 1.0 . 5.79 228 214 A 73 LYS H A 73 LYS HD2 1.0 . 3.93 229 214 A 73 LYS H A 73 LYS HD3 1.0 . 3.93 230 215 A 73 LYS H A 71 PRO HD2 1.0 . 6.09 231 216 A 73 LYS H A 74 TYR H 1.0 . 3.68 232 217 A 73 LYS H A 73 LYS HA 1.0 . 3.95 233 218 A 73 LYS H A 72 LYS HG3 1.0 . 5.22 234 219 A 73 LYS H A 72 LYS H 1.0 . 3.84 235 220 A 73 LYS H A 74 TYR HB3 1.0 . 6.29 236 221 A 73 LYS H A 71 PRO HB2 1.0 . 6.31 237 222 A 73 LYS H A 70 ASN HD22 1.0 . 5.83 238 223 A 73 LYS H A 73 LYS HG2 1.0 . 4.58 239 223 A 73 LYS H A 73 LYS HG3 1.0 . 4.58 240 224 A 73 LYS H A 73 LYS HE2 1.0 . 5.16 241 224 A 73 LYS H A 73 LYS HE3 1.0 . 5.16 242 225 A 73 LYS H A 72 LYS HA 1.0 . 4.06 243 226 A 73 LYS H A 74 TYR HA 1.0 . 6.50 244 227 A 73 LYS H A 75 ILE H 1.0 . 5.42 245 228 A 73 LYS H A 73 LYS HB2 1.0 . 3.19 246 228 A 73 LYS H A 73 LYS HB3 1.0 . 3.19 247 229 A 73 LYS H A 72 LYS HG2 1.0 . 5.00 248 230 A 100 LYS H A 98 LEU HB2 1.0 . 5.97 249 231 A 99 LYS H A 100 LYS H 1.0 . 4.24 250 232 A 100 LYS H A 102 THR H 1.0 . 5.47 251 233 A 100 LYS H A 3 VAL HG2% 1.0 . 5.18 252 234 A 100 LYS H A 100 LYS HB3 1.0 . 3.80 253 235 A 100 LYS H A 99 LYS HA 1.0 . 4.75 254 236 A 100 LYS H A 99 LYS HB3 1.0 . 4.58 255 237 A 100 LYS H A 100 LYS HG3 1.0 . 4.82 256 238 A 100 LYS H A 98 LEU H 1.0 . 5.23 257 239 A 100 LYS H A 100 LYS HE2 1.0 . 6.50 258 239 A 100 LYS H A 100 LYS HE3 1.0 . 6.50 259 240 A 100 LYS H A 101 ALA HA 1.0 . 5.52 260 241 A 100 LYS H A 99 LYS HG2 1.0 . 5.49 261 242 A 100 LYS H A 99 LYS HB2 1.0 . 3.69 262 243 A 100 LYS H A 100 LYS HB2 1.0 . 3.71 263 244 A 100 LYS H A 98 LEU HA 1.0 . 5.50 264 245 A 100 LYS H A 3 VAL HG1% 1.0 . 5.05 265 246 A 100 LYS H A 98 LEU HB3 1.0 . 5.35 266 247 A 100 LYS H A 103 ASN H 1.0 . 5.82 267 248 A 100 LYS H A 100 LYS HD2 1.0 . 5.67 268 248 A 100 LYS H A 100 LYS HD3 1.0 . 5.67 269 249 A 100 LYS H A 97 TYR H 1.0 . 6.11 270 250 A 100 LYS H A 100 LYS HA 1.0 . 3.76 271 251 A 100 LYS H A 101 ALA HB% 1.0 . 4.71 272 252 A 100 LYS H A 101 ALA H 1.0 . 3.77 273 253 A 100 LYS H A 99 LYS HG3 1.0 . 5.80 274 254 A 80 MET HB2 A 82 PHE H 1.0 . 6.50 275 255 A 82 PHE H A 81 ILE HA 1.0 . 3.35 276 256 A 82 PHE H A 71 PRO HG3 1.0 . 6.50 277 257 A 82 PHE H A 83 VAL H 1.0 . 6.41 278 258 A 82 PHE H A 81 ILE HB 1.0 . 5.06 279 259 A 82 PHE H A 80 MET HG2 1.0 . 5.51 280 260 A 82 PHE H A 82 PHE HA 1.0 . 4.56 281 261 A 82 PHE H A 81 ILE HG2% 1.0 . 4.57 282 262 A 82 PHE H A 82 PHE HB3 1.0 . 4.47 283 263 A 82 PHE H A 81 ILE HG13 1.0 . 5.78 284 264 A 71 PRO HB2 A 82 PHE H 1.0 . 6.50 285 265 A 82 PHE H A 81 ILE H 1.0 . 5.26 286 266 A 82 PHE H A 82 PHE HB2 1.0 . 4.74 287 267 A 82 PHE H A 81 ILE HD1% 1.0 . 4.54 288 268 A 82 PHE H A 83 VAL HA 1.0 . 5.78 289 269 A 82 PHE H A 80 MET HA 1.0 . 6.29 290 270 A 82 PHE H A 81 ILE HG12 1.0 . 5.62 291 271 A 16 GLN HG2 A 16 GLN HE21 1.0 . 5.65 292 272 A 16 GLN HE21 A 16 GLN HB3 1.0 . 6.50 293 273 A 16 GLN HE21 A 16 GLN HG3 1.0 . 4.84 294 274 A 16 GLN HE21 A 16 GLN HB2 1.0 . 6.50 295 275 A 36 PHE HB2 A 103 ASN HD21 1.0 . 5.92 296 276 A 103 ASN HB2 A 103 ASN HD21 1.0 . 4.83 297 277 A 103 ASN HD21 A 36 PHE HB3 1.0 . 5.44 298 278 A 103 ASN HD21 A 103 ASN HD22 1.0 . 2.70 299 279 A 103 ASN H A 103 ASN HD21 1.0 . 6.50 300 280 A 103 ASN HB3 A 103 ASN HD21 1.0 . 4.79 301 281 A 103 ASN HD21 A 36 PHE H 1.0 . 6.50 302 282 A 82 PHE H A 83 VAL H 1.0 . 5.94 303 283 A 83 VAL H A 83 VAL HG1% 1.0 . 3.56 304 283 A 83 VAL H A 83 VAL HG2% 1.0 . 3.56 305 284 A 83 VAL H A 82 PHE HE% 1.0 . 6.35 306 285 A 83 VAL H A 82 PHE HA 1.0 . 3.57 307 286 A 83 VAL H A 83 VAL HB 1.0 . 4.08 308 287 A 83 VAL H A 82 PHE HB3 1.0 . 6.50 309 288 A 83 VAL H A 82 PHE HD% 1.0 . 5.07 310 289 A 83 VAL H A 82 PHE HB2 1.0 . 5.63 311 290 A 83 VAL H A 83 VAL HA 1.0 . 4.29 312 291 A 58 ILE HB A 37 GLY H 1.0 . 6.50 313 292 A 58 ILE HD1% A 37 GLY H 1.0 . 4.23 314 293 A 36 PHE HB2 A 37 GLY H 1.0 . 5.11 315 294 A 59 TRP HB3 A 37 GLY H 1.0 . 5.55 316 295 A 37 GLY H A 37 GLY HA2 1.0 . 3.78 317 296 A 36 PHE HB3 A 37 GLY H 1.0 . 4.85 318 297 A 36 PHE HD% A 37 GLY H 1.0 . 5.78 319 298 A 37 GLY H A 35 LEU HG 1.0 . 6.50 320 299 A 58 ILE HA A 37 GLY H 1.0 . 5.88 321 300 A 37 GLY H A 38 ARG HB2 1.0 . 5.31 322 300 A 37 GLY H A 38 ARG HB3 1.0 . 5.31 323 301 A 37 GLY H A 38 ARG HG3 1.0 . 6.50 324 302 A 36 PHE H A 37 GLY H 1.0 . 5.85 325 303 A 38 ARG H A 37 GLY H 1.0 . 3.83 326 304 A 37 GLY H A 37 GLY HA3 1.0 . 4.25 327 305 A 37 GLY H A 36 PHE HA 1.0 . 3.32 328 306 A 17 CYS HB3 A 16 GLN H 1.0 . 6.50 329 307 A 18 HIS H A 16 GLN H 1.0 . 6.22 330 308 A 16 GLN HG2 A 16 GLN H 1.0 . 5.20 331 309 A 16 GLN H A 16 GLN HE21 1.0 . 6.50 332 310 A 16 GLN H A 17 CYS HB2 1.0 . 6.50 333 311 A 16 GLN H A 14 CYS H 1.0 . 5.84 334 312 A 16 GLN H A 15 SER HA 1.0 . 4.94 335 313 A 16 GLN H A 17 CYS H 1.0 . 4.32 336 314 A 16 GLN H A 16 GLN HB3 1.0 . 3.93 337 315 A 16 GLN H A 16 GLN HE22 1.0 . 6.50 338 316 A 16 GLN H A 15 SER HB2 1.0 . 5.04 339 317 A 16 GLN H A 16 GLN HG3 1.0 . 4.40 340 318 A 16 GLN H A 16 GLN HB2 1.0 . 3.88 341 319 A 16 GLN H A 14 CYS HA 1.0 . 6.50 342 320 A 16 GLN H A 16 GLN HA 1.0 . 4.36 343 321 A 16 GLN H A 15 SER H 1.0 . 4.88 344 322 A 16 GLN H A 15 SER HB3 1.0 . 5.89 345 323 A 59 TRP HE3 A 64 LEU H 1.0 . 4.86 346 324 A 64 LEU HA A 64 LEU H 1.0 . 4.30 347 325 A 64 LEU H A 63 THR HG2% 1.0 . 4.76 348 326 A 65 MET H A 64 LEU H 1.0 . 4.24 349 327 A 64 LEU H A 63 THR H 1.0 . 3.84 350 328 A 64 LEU H A 60 GLY HA3 1.0 . 5.21 351 329 A 64 LEU H A 62 ASP H 1.0 . 6.01 352 330 A 64 LEU H A 59 TRP HZ3 1.0 . 5.81 353 331 A 64 LEU H A 64 LEU HD1% 1.0 . 4.47 354 331 A 64 LEU HD2% A 64 LEU H 1.0 . 4.47 355 332 A 60 GLY H A 64 LEU H 1.0 . 4.06 356 333 A 64 LEU H A 64 LEU HB2 1.0 . 3.63 357 334 A 64 LEU H A 63 THR HA 1.0 . 6.11 358 335 A 64 LEU H A 63 THR HB 1.0 . 5.00 359 336 A 64 LEU HB3 A 64 LEU H 1.0 . 4.64 360 337 A 64 LEU H A 66 GLU H 1.0 . 5.51 361 338 A 95 ILE HD1% A 64 LEU H 1.0 . 4.77 362 339 A 64 LEU HG A 64 LEU H 1.0 . 4.28 363 340 A 27 LYS H A 28 THR HA 1.0 . 6.43 364 341 A 27 LYS H A 27 LYS HG2 1.0 . 4.62 365 341 A 27 LYS H A 27 LYS HG3 1.0 . 4.62 366 342 A 27 LYS H A 27 LYS HD2 1.0 . 6.50 367 343 A 27 LYS H A 27 LYS HB2 1.0 . 5.76 368 344 A 27 LYS H A 26 HIS HA 1.0 . 4.45 369 345 A 27 LYS H A 26 HIS HB2 1.0 . 5.70 370 346 A 27 LYS H A 27 LYS HE2 1.0 . 6.50 371 346 A 27 LYS H A 27 LYS HE3 1.0 . 6.50 372 347 A 27 LYS H A 46 TYR HD% 1.0 . 6.50 373 348 A 27 LYS H A 27 LYS HD3 1.0 . 5.80 374 349 A 27 LYS H A 27 LYS HA 1.0 . 5.07 375 350 A 27 LYS H A 27 LYS HB3 1.0 . 4.64 376 351 A 27 LYS H A 26 HIS HB3 1.0 . 5.59 377 352 A 65 MET H A 62 ASP HA 1.0 . 4.93 378 353 A 68 LEU H A 65 MET H 1.0 . 5.54 379 354 A 64 LEU HA A 65 MET H 1.0 . 4.94 380 355 A 65 MET H A 66 GLU HG2 1.0 . 6.32 381 356 A 65 MET H A 64 LEU H 1.0 . 4.14 382 357 A 65 MET H A 65 MET HB3 1.0 . 4.12 383 358 A 65 MET H A 65 MET HG2 1.0 . 4.40 384 359 A 65 MET H A 62 ASP H 1.0 . 6.50 385 360 A 65 MET H A 61 GLU HA 1.0 . 4.90 386 361 A 65 MET H A 64 LEU HD1% 1.0 . 5.66 387 361 A 65 MET H A 64 LEU HD2% 1.0 . 5.66 388 362 A 65 MET H A 67 TYR H 1.0 . 5.33 389 363 A 65 MET H A 66 GLU HG3 1.0 . 6.08 390 364 A 65 MET H A 64 LEU HB2 1.0 . 4.14 391 365 A 65 MET H A 63 THR HA 1.0 . 5.71 392 366 A 65 MET H A 65 MET HA 1.0 . 4.35 393 367 A 65 MET H A 64 LEU HB3 1.0 . 4.44 394 368 A 65 MET H A 66 GLU H 1.0 . 4.21 395 369 A 65 MET H A 65 MET HG3 1.0 . 4.85 396 370 A 95 ILE HD1% A 65 MET H 1.0 . 4.14 397 371 A 65 MET H A 65 MET HB2 1.0 . 3.76 398 372 A 65 MET H A 64 LEU HG 1.0 . 5.45 399 373 A 74 TYR H A 72 LYS HE2 1.0 . 5.02 400 373 A 72 LYS HE3 A 74 TYR H 1.0 . 5.02 401 374 A 74 TYR H A 74 TYR HE% 1.0 . 6.50 402 375 A 74 TYR HB2 A 74 TYR H 1.0 . 3.73 403 376 A 74 TYR H A 75 ILE HG12 1.0 . 6.12 404 376 A 74 TYR H A 75 ILE HG13 1.0 . 6.12 405 377 A 73 LYS H A 74 TYR H 1.0 . 3.59 406 378 A 75 ILE HG2% A 74 TYR H 1.0 . 6.50 407 379 A 74 TYR H A 73 LYS HA 1.0 . 4.42 408 380 A 74 TYR H A 72 LYS H 1.0 . 5.14 409 381 A 74 TYR H A 71 PRO HA 1.0 . 4.68 410 382 A 74 TYR H A 74 TYR HB3 1.0 . 3.75 411 383 A 74 TYR H A 73 LYS HG2 1.0 . 4.70 412 383 A 74 TYR H A 73 LYS HG3 1.0 . 4.70 413 384 A 74 TYR H A 74 TYR HD% 1.0 . 4.92 414 385 A 74 TYR H A 75 ILE HD1% 1.0 . 6.32 415 386 A 75 ILE HB A 74 TYR H 1.0 . 5.61 416 387 A 74 TYR H A 74 TYR HA 1.0 . 4.24 417 388 A 74 TYR H A 75 ILE H 1.0 . 3.83 418 389 A 74 TYR H A 73 LYS HB2 1.0 . 3.58 419 389 A 74 TYR H A 73 LYS HB3 1.0 . 3.58 420 390 A 9 ILE HD1% A 93 ASP H 1.0 . 4.90 421 391 A 93 ASP H A 1 GLY HA3 1.0 . 6.50 422 392 A 92 ALA HB% A 93 ASP H 1.0 . 3.57 423 393 A 93 ASP H A 92 ALA HA 1.0 . 4.38 424 394 A 93 ASP H A 1 GLY HA2 1.0 . 6.50 425 395 A 90 GLU H A 93 ASP H 1.0 . 6.50 426 396 A 94 LEU HB3 A 93 ASP H 1.0 . 4.95 427 397 A 92 ALA H A 93 ASP H 1.0 . 3.95 428 398 A 91 ARG H A 93 ASP H 1.0 . 6.50 429 399 A 93 ASP H A 93 ASP HB2 1.0 . 3.43 430 399 A 93 ASP HB3 A 93 ASP H 1.0 . 3.43 431 400 A 91 ARG HA A 93 ASP H 1.0 . 6.23 432 401 A 94 LEU HB2 A 93 ASP H 1.0 . 4.94 433 402 A 93 ASP HA A 93 ASP H 1.0 . 3.75 434 403 A 93 ASP H A 2 ASP H 1.0 . 6.50 435 404 A 95 ILE H A 93 ASP H 1.0 . 5.26 436 405 A 58 ILE HB A 58 ILE H 1.0 . 3.78 437 406 A 58 ILE HD1% A 58 ILE H 1.0 . 4.89 438 407 A 59 TRP H A 58 ILE H 1.0 . 6.32 439 408 A 58 ILE HG13 A 58 ILE H 1.0 . 4.62 440 409 A 58 ILE H A 57 ILE HB 1.0 . 4.13 441 410 A 58 ILE H A 57 ILE HA 1.0 . 4.06 442 411 A 58 ILE H A 58 ILE HA 1.0 . 3.80 443 412 A 58 ILE H A 58 ILE HG2% 1.0 . 5.31 444 413 A 58 ILE H A 58 ILE HG12 1.0 . 4.16 445 414 A 17 CYS HB3 A 29 GLY H 1.0 . 5.37 446 415 A 17 CYS HA A 29 GLY H 1.0 . 4.93 447 416 A 28 THR HA A 29 GLY H 1.0 . 5.26 448 417 A 17 CYS HB2 A 29 GLY H 1.0 . 5.08 449 418 A 29 GLY H A 29 GLY HA2 1.0 . 4.57 450 419 A 27 LYS HB2 A 29 GLY H 1.0 . 6.30 451 420 A 28 THR HG2% A 29 GLY H 1.0 . 5.00 452 421 A 46 TYR HD% A 29 GLY H 1.0 . 6.50 453 422 A 27 LYS HB3 A 29 GLY H 1.0 . 4.97 454 423 A 29 GLY H A 29 GLY HA3 1.0 . 4.93 455 424 A 28 THR HB A 29 GLY H 1.0 . 4.88 456 425 A 24 GLY H A 23 GLY H 1.0 . 4.85 457 426 A 31 ASN HD21 A 23 GLY H 1.0 . 6.50 458 427 A 22 LYS HA A 23 GLY H 1.0 . 3.95 459 428 A 23 GLY HA3 A 23 GLY H 1.0 . 4.55 460 429 A 22 LYS HG2 A 23 GLY H 1.0 . 5.15 461 430 A 23 GLY H A 21 GLU HG2 1.0 . 6.50 462 430 A 21 GLU HG3 A 23 GLY H 1.0 . 6.50 463 431 A 23 GLY H A 22 LYS HE2 1.0 . 5.75 464 431 A 23 GLY H A 22 LYS HE3 1.0 . 5.75 465 432 A 21 GLU HB3 A 23 GLY H 1.0 . 6.50 466 433 A 23 GLY HA2 A 23 GLY H 1.0 . 4.41 467 434 A 23 GLY H A 22 LYS HB3 1.0 . 5.58 468 435 A 22 LYS HB2 A 23 GLY H 1.0 . 5.78 469 436 A 22 LYS HG3 A 23 GLY H 1.0 . 5.10 470 437 A 22 LYS H A 23 GLY H 1.0 . 6.38 471 438 A 23 GLY H A 22 LYS HD2 1.0 . 6.50 472 438 A 23 GLY H A 22 LYS HD3 1.0 . 6.50 473 439 A 50 ALA H A 50 ALA HA 1.0 . 5.59 474 440 A 50 ALA H A 49 THR HA 1.0 . 4.90 475 441 A 50 ALA HB% A 50 ALA H 1.0 . 4.55 476 442 A 4 GLU HG3 A 5 LYS H 1.0 . 5.53 477 443 A 5 LYS H A 5 LYS HG2 1.0 . 3.71 478 444 A 5 LYS H A 4 GLU HB3 1.0 . 4.01 479 445 A 5 LYS H A 5 LYS HA 1.0 . 3.95 480 446 A 3 VAL HG2% A 5 LYS H 1.0 . 5.49 481 447 A 5 LYS H A 2 ASP HB3 1.0 . 5.50 482 448 A 5 LYS H A 5 LYS HG3 1.0 . 4.20 483 449 A 5 LYS H A 8 LYS HB2 1.0 . 6.50 484 449 A 5 LYS H A 8 LYS HB3 1.0 . 6.50 485 450 A 5 LYS H A 4 GLU HG2 1.0 . 5.05 486 451 A 5 LYS H A 8 LYS H 1.0 . 6.50 487 452 A 5 LYS H A 4 GLU HA 1.0 . 4.41 488 453 A 5 LYS H A 3 VAL H 1.0 . 5.89 489 454 A 5 LYS H A 2 ASP HB2 1.0 . 4.89 490 455 A 5 LYS H A 4 GLU HB2 1.0 . 4.02 491 456 A 3 VAL HG1% A 5 LYS H 1.0 . 5.29 492 457 A 5 LYS H A 93 ASP HB2 1.0 . 5.16 493 457 A 93 ASP HB3 A 5 LYS H 1.0 . 5.16 494 458 A 5 LYS H A 5 LYS HE2 1.0 . 5.71 495 458 A 5 LYS H A 5 LYS HE3 1.0 . 5.71 496 459 A 5 LYS H A 6 GLY H 1.0 . 3.94 497 460 A 5 LYS H A 5 LYS HB2 1.0 . 3.32 498 460 A 5 LYS H A 5 LYS HB3 1.0 . 3.32 499 461 A 63 THR H A 62 ASP HB2 1.0 . 4.33 500 462 A 59 TRP HE3 A 63 THR H 1.0 . 6.09 501 463 A 63 THR H A 61 GLU HB2 1.0 . 5.50 502 463 A 63 THR H A 61 GLU HB3 1.0 . 5.50 503 464 A 63 THR H A 62 ASP HA 1.0 . 4.49 504 465 A 63 THR HG2% A 63 THR H 1.0 . 3.68 505 466 A 64 LEU H A 63 THR H 1.0 . 3.79 506 467 A 63 THR H A 62 ASP H 1.0 . 3.83 507 468 A 63 THR H A 62 ASP HB3 1.0 . 4.27 508 469 A 63 THR H A 66 GLU HB3 1.0 . 6.20 509 470 A 63 THR H A 64 LEU HD1% 1.0 . 6.50 510 470 A 64 LEU HD2% A 63 THR H 1.0 . 6.50 511 471 A 63 THR H A 60 GLY HA2 1.0 . 5.22 512 472 A 60 GLY H A 63 THR H 1.0 . 4.87 513 473 A 63 THR H A 64 LEU HB2 1.0 . 5.17 514 474 A 63 THR H A 63 THR HA 1.0 . 3.95 515 475 A 63 THR H A 63 THR HB 1.0 . 5.55 516 476 A 64 LEU HB3 A 63 THR H 1.0 . 5.81 517 477 A 63 THR H A 66 GLU H 1.0 . 6.50 518 478 A 64 LEU HG A 63 THR H 1.0 . 6.15 519 479 A 14 CYS H A 10 PHE HB2 1.0 . 6.50 520 480 A 14 CYS H A 13 LYS HB3 1.0 . 4.79 521 481 A 14 CYS HB2 A 14 CYS H 1.0 . 4.60 522 482 A 14 CYS H A 12 MET HG3 1.0 . 6.50 523 483 A 14 CYS H A 11 ILE HA 1.0 . 5.89 524 484 A 16 GLN H A 14 CYS H 1.0 . 6.12 525 485 A 14 CYS H A 10 PHE HA 1.0 . 4.47 526 486 A 15 SER HA A 14 CYS H 1.0 . 5.39 527 487 A 14 CYS H A 13 LYS HD2 1.0 . 5.17 528 487 A 14 CYS H A 13 LYS HD3 1.0 . 5.17 529 488 A 14 CYS H A 12 MET HA 1.0 . 6.29 530 489 A 14 CYS H A 15 SER HB2 1.0 . 6.50 531 490 A 14 CYS H A 13 LYS HB2 1.0 . 4.48 532 491 A 14 CYS H A 13 LYS HA 1.0 . 5.04 533 492 A 14 CYS H A 13 LYS H 1.0 . 3.53 534 493 A 14 CYS HA A 14 CYS H 1.0 . 4.49 535 494 A 14 CYS H A 12 MET HB3 1.0 . 5.59 536 495 A 14 CYS H A 14 CYS HB3 1.0 . 4.16 537 496 A 14 CYS H A 10 PHE HD1 1.0 . 6.43 538 497 A 14 CYS H A 15 SER H 1.0 . 3.60 539 498 A 14 CYS H A 13 LYS HG2 1.0 . 6.50 540 499 A 14 CYS H A 15 SER HB3 1.0 . 5.60 541 500 A 34 GLY H A 34 GLY HA3 1.0 . 3.86 542 501 A 102 THR H A 34 GLY H 1.0 . 6.50 543 502 A 34 GLY H A 33 HIS HA 1.0 . 3.52 544 503 A 34 GLY H A 38 ARG HD2 1.0 . 6.50 545 504 A 33 HIS HB2 A 34 GLY H 1.0 . 5.25 546 505 A 34 GLY H A 33 HIS H 1.0 . 6.24 547 506 A 34 GLY H A 35 LEU HA 1.0 . 5.96 548 507 A 34 GLY H A 102 THR HA 1.0 . 4.55 549 508 A 35 LEU HD1% A 34 GLY H 1.0 . 6.50 550 509 A 34 GLY H A 35 LEU H 1.0 . 4.04 551 510 A 34 GLY H A 35 LEU HB2 1.0 . 5.41 552 511 A 34 GLY H A 102 THR HG2% 1.0 . 4.48 553 512 A 34 GLY H A 34 GLY HA2 1.0 . 3.47 554 513 A 34 GLY H A 35 LEU HB3 1.0 . 5.20 555 514 A 33 HIS HB3 A 34 GLY H 1.0 . 5.12 556 515 A 32 LEU HB3 A 33 HIS H 1.0 . 5.38 557 516 A 34 GLY HA3 A 33 HIS H 1.0 . 5.82 558 517 A 33 HIS H A 32 LEU HA 1.0 . 6.20 559 518 A 33 HIS H A 32 LEU HD2% 1.0 . 6.02 560 519 A 33 HIS HA A 33 HIS H 1.0 . 4.30 561 520 A 31 ASN HB3 A 33 HIS H 1.0 . 6.50 562 521 A 33 HIS HB2 A 33 HIS H 1.0 . 4.15 563 522 A 34 GLY H A 33 HIS H 1.0 . 5.83 564 523 A 33 HIS H A 32 LEU HB2 1.0 . 5.34 565 524 A 102 THR HA A 33 HIS H 1.0 . 6.37 566 525 A 33 HIS H A 35 LEU H 1.0 . 6.50 567 526 A 102 THR HG2% A 33 HIS H 1.0 . 5.57 568 527 A 33 HIS H A 34 GLY HA2 1.0 . 6.50 569 528 A 20 VAL HG1% A 33 HIS H 1.0 . 6.50 570 529 A 32 LEU HD1% A 33 HIS H 1.0 . 6.50 571 530 A 31 ASN HA A 33 HIS H 1.0 . 6.11 572 531 A 33 HIS H A 32 LEU HG 1.0 . 6.15 573 532 A 33 HIS HB3 A 33 HIS H 1.0 . 4.02 574 533 A 32 LEU H A 33 HIS H 1.0 . 4.21 575 534 A 39 LYS H A 39 LYS HD2 1.0 . 5.28 576 534 A 39 LYS H A 39 LYS HD3 1.0 . 5.28 577 535 A 39 LYS H A 39 LYS HB2 1.0 . 4.85 578 536 A 39 LYS H A 39 LYS HG2 1.0 . 4.59 579 536 A 39 LYS H A 39 LYS HG3 1.0 . 4.59 580 537 A 39 LYS H A 38 ARG HB2 1.0 . 4.31 581 537 A 38 ARG HB3 A 39 LYS H 1.0 . 4.31 582 538 A 38 ARG HG3 A 39 LYS H 1.0 . 5.22 583 539 A 39 LYS H A 40 THR H 1.0 . 6.50 584 540 A 39 LYS H A 39 LYS HB3 1.0 . 4.37 585 541 A 39 LYS H A 38 ARG HA 1.0 . 4.16 586 542 A 42 GLN HG3 A 42 GLN HE21 1.0 . 5.31 587 543 A 42 GLN HE21 A 42 GLN HA 1.0 . 6.50 588 544 A 42 GLN HE21 A 42 GLN HG2 1.0 . 6.22 589 545 A 42 GLN HE21 A 42 GLN HB2 1.0 . 5.49 590 546 A 50 ALA HB% A 42 GLN HE21 1.0 . 5.95 591 547 A 42 GLN H A 42 GLN HE21 1.0 . 6.50 592 548 A 62 ASP H A 62 ASP HB2 1.0 . 3.73 593 549 A 62 ASP H A 61 GLU HB2 1.0 . 3.53 594 549 A 62 ASP H A 61 GLU HB3 1.0 . 3.53 595 550 A 62 ASP H A 62 ASP HA 1.0 . 3.85 596 551 A 63 THR HG2% A 62 ASP H 1.0 . 5.46 597 552 A 64 LEU H A 62 ASP H 1.0 . 5.31 598 553 A 65 MET H A 62 ASP H 1.0 . 6.50 599 554 A 63 THR H A 62 ASP H 1.0 . 3.75 600 555 A 60 GLY HA3 A 62 ASP H 1.0 . 4.71 601 556 A 62 ASP H A 62 ASP HB3 1.0 . 3.94 602 557 A 62 ASP H A 61 GLU HG2 1.0 . 5.08 603 558 A 62 ASP H A 61 GLU HA 1.0 . 4.36 604 559 A 62 ASP H A 61 GLU H 1.0 . 4.91 605 560 A 60 GLY H A 62 ASP H 1.0 . 6.27 606 561 A 62 ASP H A 66 GLU H 1.0 . 6.50 607 562 A 62 ASP H A 61 GLU HG3 1.0 . 5.15 608 563 A 64 LEU HG A 62 ASP H 1.0 . 6.50 609 564 A 17 CYS HB3 A 17 CYS H 1.0 . 4.07 610 565 A 17 CYS HA A 17 CYS H 1.0 . 4.31 611 566 A 18 HIS H A 17 CYS H 1.0 . 3.48 612 567 A 16 GLN HG2 A 17 CYS H 1.0 . 5.38 613 568 A 16 GLN H A 17 CYS H 1.0 . 4.39 614 569 A 17 CYS HB2 A 17 CYS H 1.0 . 4.92 615 570 A 17 CYS H A 16 GLN HB3 1.0 . 4.67 616 571 A 17 CYS H A 15 SER HB2 1.0 . 6.18 617 572 A 17 CYS H A 16 GLN HG3 1.0 . 5.02 618 573 A 17 CYS H A 18 HIS HA 1.0 . 6.50 619 574 A 17 CYS H A 16 GLN HB2 1.0 . 4.71 620 575 A 17 CYS H A 18 HIS HB2 1.0 . 5.72 621 576 A 17 CYS H A 16 GLN HA 1.0 . 5.18 622 577 A 17 CYS H A 15 SER HB3 1.0 . 6.50 623 578 A 78 THR HG2% A 72 LYS H 1.0 . 4.97 624 579 A 72 LYS H A 71 PRO HB3 1.0 . 4.84 625 580 A 72 LYS H A 72 LYS HE2 1.0 . 6.50 626 580 A 72 LYS HE3 A 72 LYS H 1.0 . 6.50 627 581 A 72 LYS H A 71 PRO HG3 1.0 . 6.19 628 582 A 73 LYS H A 72 LYS H 1.0 . 4.06 629 583 A 72 LYS H A 72 LYS HB2 1.0 . 3.62 630 584 A 72 LYS H A 70 ASN HA 1.0 . 6.50 631 585 A 71 PRO HD2 A 72 LYS H 1.0 . 4.92 632 586 A 74 TYR H A 72 LYS H 1.0 . 5.94 633 587 A 72 LYS HG3 A 72 LYS H 1.0 . 4.73 634 588 A 72 LYS H A 72 LYS HD2 1.0 . 4.26 635 588 A 72 LYS H A 72 LYS HD3 1.0 . 4.26 636 589 A 72 LYS H A 71 PRO HA 1.0 . 5.58 637 590 A 72 LYS H A 71 PRO HB2 1.0 . 3.93 638 591 A 72 LYS H A 72 LYS HB3 1.0 . 3.99 639 592 A 70 ASN H A 72 LYS H 1.0 . 6.50 640 593 A 72 LYS H A 71 PRO HG2 1.0 . 5.10 641 594 A 72 LYS H A 72 LYS HA 1.0 . 4.19 642 595 A 72 LYS H A 71 PRO HD3 1.0 . 6.50 643 596 A 72 LYS H A 75 ILE H 1.0 . 6.50 644 597 A 72 LYS H A 72 LYS HG2 1.0 . 4.24 645 598 A 96 ALA H A 98 LEU H 1.0 . 5.42 646 599 A 98 LEU H A 98 LEU HB2 1.0 . 3.63 647 600 A 98 LEU H A 97 TYR HA 1.0 . 4.48 648 601 A 98 LEU H A 98 LEU HD1% 1.0 . 3.98 649 602 A 97 TYR HB3 A 98 LEU H 1.0 . 4.02 650 603 A 100 LYS H A 98 LEU H 1.0 . 5.13 651 604 A 98 LEU H A 98 LEU HG 1.0 . 3.44 652 605 A 98 LEU H A 97 TYR HD2 1.0 . 4.71 653 606 A 98 LEU H A 97 TYR HB2 1.0 . 4.51 654 607 A 98 LEU H A 97 TYR HD1 1.0 . 5.04 655 608 A 98 LEU H A 98 LEU HD2% 1.0 . 4.35 656 609 A 98 LEU H A 98 LEU HA 1.0 . 3.98 657 610 A 98 LEU H A 98 LEU HB3 1.0 . 3.93 658 611 A 98 LEU H A 97 TYR H 1.0 . 3.87 659 612 A 98 LEU H A 101 ALA HB% 1.0 . 5.40 660 613 A 98 LEU H A 101 ALA H 1.0 . 6.50 661 614 A 53 LYS H A 53 LYS HA 1.0 . 5.13 662 615 A 54 ASN H A 53 LYS H 1.0 . 5.80 663 616 A 53 LYS HB3 A 53 LYS H 1.0 . 4.40 664 617 A 52 ASN HB3 A 53 LYS H 1.0 . 6.07 665 618 A 53 LYS H A 53 LYS HG2 1.0 . 5.34 666 618 A 53 LYS H A 53 LYS HG3 1.0 . 5.34 667 619 A 52 ASN HA A 53 LYS H 1.0 . 5.47 668 620 A 52 ASN HB2 A 53 LYS H 1.0 . 5.47 669 621 A 51 ALA HB% A 53 LYS H 1.0 . 4.95 670 622 A 53 LYS H A 53 LYS HE2 1.0 . 6.50 671 622 A 53 LYS H A 53 LYS HE3 1.0 . 6.50 672 623 A 53 LYS HB2 A 53 LYS H 1.0 . 4.45 673 624 A 53 LYS H A 53 LYS HD2 1.0 . 6.23 674 624 A 53 LYS H A 53 LYS HD3 1.0 . 6.23 675 625 A 10 PHE HB2 A 12 MET H 1.0 . 6.50 676 626 A 12 MET HG3 A 12 MET H 1.0 . 4.55 677 627 A 11 ILE HA A 12 MET H 1.0 . 5.53 678 628 A 12 MET H A 11 ILE HG2% 1.0 . 4.42 679 629 A 12 MET H A 12 MET HB2 1.0 . 3.75 680 630 A 10 PHE HA A 12 MET H 1.0 . 6.50 681 631 A 12 MET H A 10 PHE HB3 1.0 . 6.50 682 632 A 12 MET H A 10 PHE H 1.0 . 6.29 683 633 A 12 MET HA A 12 MET H 1.0 . 4.02 684 634 A 9 ILE HB A 12 MET H 1.0 . 6.50 685 635 A 12 MET H A 9 ILE HG2% 1.0 . 5.93 686 636 A 13 LYS HB2 A 12 MET H 1.0 . 5.87 687 637 A 13 LYS HA A 12 MET H 1.0 . 6.50 688 638 A 12 MET H A 11 ILE HD1% 1.0 . 5.05 689 639 A 12 MET H A 12 MET HG2 1.0 . 4.42 690 640 A 12 MET H A 8 LYS HA 1.0 . 5.34 691 641 A 13 LYS H A 12 MET H 1.0 . 3.97 692 642 A 12 MET H A 11 ILE HG13 1.0 . 5.93 693 643 A 12 MET HB3 A 12 MET H 1.0 . 3.99 694 644 A 12 MET H A 9 ILE HA 1.0 . 4.81 695 645 A 12 MET H A 11 ILE HB 1.0 . 3.78 696 646 A 10 PHE H A 97 TYR HE2 1.0 . 6.44 697 647 A 10 PHE HB2 A 10 PHE H 1.0 . 3.66 698 648 A 9 ILE HD1% A 10 PHE H 1.0 . 4.55 699 649 A 10 PHE H A 11 ILE HG12 1.0 . 5.94 700 650 A 10 PHE H A 7 LYS HA 1.0 . 4.38 701 651 A 9 ILE HG12 A 10 PHE H 1.0 . 4.30 702 652 A 11 ILE HA A 10 PHE H 1.0 . 6.50 703 653 A 10 PHE HA A 10 PHE H 1.0 . 3.89 704 654 A 12 MET H A 10 PHE H 1.0 . 5.35 705 655 A 10 PHE HB3 A 10 PHE H 1.0 . 3.66 706 656 A 9 ILE HB A 10 PHE H 1.0 . 3.68 707 657 A 8 LYS H A 10 PHE H 1.0 . 5.68 708 658 A 10 PHE H A 9 ILE HG2% 1.0 . 4.40 709 659 A 98 LEU HD2% A 10 PHE H 1.0 . 6.50 710 660 A 94 LEU HG A 10 PHE H 1.0 . 3.57 711 661 A 10 PHE H A 11 ILE HD1% 1.0 . 5.54 712 662 A 6 GLY HA2 A 10 PHE H 1.0 . 5.50 713 663 A 10 PHE H A 9 ILE H 1.0 . 3.94 714 664 A 10 PHE H A 94 LEU HD1% 1.0 . 5.19 715 664 A 94 LEU HD2% A 10 PHE H 1.0 . 5.19 716 665 A 10 PHE H A 11 ILE HG13 1.0 . 5.30 717 666 A 10 PHE H A 9 ILE HA 1.0 . 4.64 718 667 A 10 PHE HD1 A 10 PHE H 1.0 . 5.11 719 668 A 10 PHE H A 9 ILE H 1.0 . 3.85 720 669 A 87 LYS H A 87 LYS HB2 1.0 . 3.93 721 670 A 87 LYS H A 86 LYS HB2 1.0 . 3.70 722 670 A 87 LYS H A 86 LYS HB3 1.0 . 3.70 723 671 A 87 LYS H A 87 LYS HD2 1.0 . 3.80 724 671 A 87 LYS H A 87 LYS HD3 1.0 . 3.80 725 672 A 87 LYS HA A 87 LYS H 1.0 . 3.95 726 673 A 87 LYS H A 87 LYS HG2 1.0 . 3.90 727 674 A 87 LYS HB3 A 87 LYS H 1.0 . 3.87 728 675 A 87 LYS H A 87 LYS HE2 1.0 . 5.79 729 675 A 87 LYS HE3 A 87 LYS H 1.0 . 5.79 730 676 A 87 LYS H A 86 LYS HA 1.0 . 4.65 731 677 A 87 LYS H A 90 GLU HG3 1.0 . 5.75 732 678 A 90 GLU H A 87 LYS H 1.0 . 6.50 733 679 A 87 LYS HG3 A 87 LYS H 1.0 . 3.95 734 680 A 91 ARG H A 87 LYS H 1.0 . 6.50 735 681 A 87 LYS H A 86 LYS H 1.0 . 4.98 736 682 A 87 LYS H A 90 GLU HB2 1.0 . 4.98 737 683 A 88 LYS H A 87 LYS H 1.0 . 6.50 738 684 A 87 LYS H A 85 ILE HA 1.0 . 4.46 739 685 A 35 LEU HD2% A 35 LEU H 1.0 . 4.80 740 686 A 36 PHE HB2 A 35 LEU H 1.0 . 6.18 741 687 A 34 GLY HA3 A 35 LEU H 1.0 . 4.69 742 688 A 35 LEU H A 32 LEU HD2% 1.0 . 6.50 743 689 A 36 PHE HD% A 35 LEU H 1.0 . 5.26 744 690 A 33 HIS HA A 35 LEU H 1.0 . 4.73 745 691 A 34 GLY H A 35 LEU H 1.0 . 4.31 746 692 A 33 HIS H A 35 LEU H 1.0 . 6.50 747 693 A 35 LEU HA A 35 LEU H 1.0 . 4.01 748 694 A 102 THR HA A 35 LEU H 1.0 . 4.87 749 695 A 35 LEU HD1% A 35 LEU H 1.0 . 4.62 750 696 A 35 LEU HG A 35 LEU H 1.0 . 5.22 751 697 A 35 LEU H A 35 LEU HB2 1.0 . 3.58 752 698 A 102 THR HG2% A 35 LEU H 1.0 . 4.36 753 699 A 35 LEU H A 34 GLY HA2 1.0 . 4.66 754 700 A 32 LEU HD1% A 35 LEU H 1.0 . 6.50 755 701 A 35 LEU H A 35 LEU HB3 1.0 . 3.68 756 702 A 36 PHE H A 35 LEU H 1.0 . 4.73 757 703 A 51 ALA HA A 54 ASN HD22 1.0 . 6.20 758 704 A 54 ASN HA A 54 ASN HD22 1.0 . 6.50 759 705 A 54 ASN HD22 A 54 ASN HB2 1.0 . 3.94 760 705 A 54 ASN HB3 A 54 ASN HD22 1.0 . 3.94 761 706 A 50 ALA HB% A 54 ASN HD22 1.0 . 4.85 762 707 A 16 GLN HG2 A 16 GLN HE22 1.0 . 4.69 763 708 A 16 GLN H A 16 GLN HE22 1.0 . 6.50 764 709 A 16 GLN HB3 A 16 GLN HE22 1.0 . 6.50 765 710 A 16 GLN HG3 A 16 GLN HE22 1.0 . 4.32 766 711 A 16 GLN HB2 A 16 GLN HE22 1.0 . 6.50 767 712 A 36 PHE HB2 A 103 ASN HD22 1.0 . 6.50 768 713 A 103 ASN HB2 A 103 ASN HD22 1.0 . 4.20 769 714 A 103 ASN HD21 A 103 ASN HD22 1.0 . 2.66 770 715 A 103 ASN H A 103 ASN HD22 1.0 . 5.77 771 716 A 103 ASN HB3 A 103 ASN HD22 1.0 . 4.13 772 717 A 42 GLN HA A 43 ALA H 1.0 . 5.36 773 718 A 42 GLN HB2 A 43 ALA H 1.0 . 6.50 774 719 A 43 ALA H A 43 ALA HB% 1.0 . 4.58 775 720 A 43 ALA H A 42 GLN HB3 1.0 . 6.50 776 721 A 25 LYS HB2 A 26 HIS H 1.0 . 5.21 777 722 A 26 HIS H A 25 LYS HA 1.0 . 4.34 778 723 A 26 HIS HA A 26 HIS H 1.0 . 6.50 779 724 A 26 HIS H A 25 LYS HB3 1.0 . 5.49 780 725 A 26 HIS HB2 A 26 HIS H 1.0 . 5.49 781 726 A 27 LYS HA A 26 HIS H 1.0 . 6.50 782 727 A 25 LYS H A 26 HIS H 1.0 . 6.50 783 728 A 26 HIS HB3 A 26 HIS H 1.0 . 6.10 784 729 A 26 HIS H A 25 LYS HG2 1.0 . 6.12 785 729 A 26 HIS H A 25 LYS HG3 1.0 . 6.12 786 730 A 104 GLU H A 104 GLU HG2 1.0 . 3.96 787 730 A 104 GLU H A 104 GLU HG3 1.0 . 3.96 788 731 A 103 ASN HB2 A 104 GLU H 1.0 . 4.82 789 732 A 102 THR H A 104 GLU H 1.0 . 5.17 790 733 A 104 GLU H A 104 GLU HB2 1.0 . 3.88 791 734 A 104 GLU H A 104 GLU HA 1.0 . 3.89 792 735 A 101 ALA HA A 104 GLU H 1.0 . 4.80 793 736 A 102 THR HG2% A 104 GLU H 1.0 . 6.50 794 737 A 104 GLU H A 104 GLU HB3 1.0 . 3.85 795 738 A 103 ASN H A 104 GLU H 1.0 . 3.50 796 739 A 104 GLU H A 103 ASN HB3 1.0 . 4.94 797 740 A 104 GLU H A 101 ALA HB% 1.0 . 5.94 798 741 A 101 ALA H A 104 GLU H 1.0 . 6.50 799 742 A 8 LYS H A 7 LYS HA 1.0 . 4.69 800 743 A 5 LYS HA A 8 LYS H 1.0 . 4.57 801 744 A 8 LYS H A 8 LYS HE2 1.0 . 5.86 802 744 A 8 LYS H A 8 LYS HE3 1.0 . 5.86 803 745 A 8 LYS H A 8 LYS HG2 1.0 . 4.28 804 746 A 5 LYS H A 8 LYS H 1.0 . 5.37 805 747 A 8 LYS H A 7 LYS HB3 1.0 . 4.47 806 748 A 8 LYS H A 10 PHE H 1.0 . 5.35 807 749 A 8 LYS H A 8 LYS HB2 1.0 . 3.61 808 749 A 8 LYS HB3 A 8 LYS H 1.0 . 3.61 809 750 A 9 ILE HB A 8 LYS H 1.0 . 5.15 810 751 A 8 LYS H A 4 GLU HA 1.0 . 5.36 811 752 A 8 LYS H A 11 ILE HD1% 1.0 . 4.94 812 753 A 8 LYS H A 8 LYS HA 1.0 . 3.85 813 754 A 8 LYS H A 8 LYS HD2 1.0 . 4.60 814 754 A 8 LYS H A 8 LYS HD3 1.0 . 4.60 815 755 A 8 LYS H A 9 ILE H 1.0 . 6.50 816 756 A 8 LYS H A 7 LYS HD2 1.0 . 4.68 817 756 A 8 LYS H A 7 LYS HD3 1.0 . 4.68 818 757 A 8 LYS H A 8 LYS HG3 1.0 . 4.31 819 758 A 8 LYS H A 7 LYS H 1.0 . 3.94 820 759 A 8 LYS H A 7 LYS HB2 1.0 . 3.79 821 760 A 8 LYS H A 11 ILE HB 1.0 . 5.05 822 761 A 8 LYS H A 9 ILE H 1.0 . 3.87 823 762 A 67 TYR HB2 A 67 TYR H 1.0 . 3.91 824 763 A 64 LEU HA A 67 TYR H 1.0 . 4.39 825 764 A 66 GLU HG2 A 67 TYR H 1.0 . 6.50 826 765 A 65 MET H A 67 TYR H 1.0 . 5.37 827 766 A 67 TYR HA A 67 TYR H 1.0 . 4.45 828 767 A 67 TYR H A 64 LEU HD1% 1.0 . 6.07 829 767 A 64 LEU HD2% A 67 TYR H 1.0 . 6.07 830 768 A 67 TYR H A 66 GLU HG3 1.0 . 5.30 831 769 A 67 TYR HD% A 67 TYR H 1.0 . 5.65 832 770 A 70 ASN H A 67 TYR H 1.0 . 6.50 833 771 A 66 GLU H A 67 TYR H 1.0 . 4.03 834 772 A 67 TYR H A 66 GLU HA 1.0 . 4.80 835 773 A 67 TYR HB3 A 67 TYR H 1.0 . 3.84 836 774 A 90 GLU H A 87 LYS HB2 1.0 . 4.00 837 775 A 89 GLU H A 90 GLU H 1.0 . 4.16 838 776 A 88 LYS HA A 90 GLU H 1.0 . 5.80 839 777 A 90 GLU H A 87 LYS HD2 1.0 . 4.59 840 777 A 90 GLU H A 87 LYS HD3 1.0 . 4.59 841 778 A 90 GLU H A 90 GLU HG2 1.0 . 4.39 842 779 A 90 GLU H A 87 LYS HG2 1.0 . 5.27 843 780 A 90 GLU H A 93 ASP H 1.0 . 6.36 844 781 A 90 GLU H A 90 GLU HB3 1.0 . 4.03 845 782 A 89 GLU HG2 A 90 GLU H 1.0 . 4.90 846 783 A 87 LYS HB3 A 90 GLU H 1.0 . 4.44 847 784 A 90 GLU H A 87 LYS H 1.0 . 6.08 848 785 A 90 GLU H A 87 LYS HE2 1.0 . 6.13 849 785 A 87 LYS HE3 A 90 GLU H 1.0 . 6.13 850 786 A 85 ILE HG2% A 90 GLU H 1.0 . 4.42 851 787 A 90 GLU H A 89 GLU HB2 1.0 . 4.03 852 787 A 90 GLU H A 89 GLU HB3 1.0 . 4.03 853 788 A 90 GLU H A 87 LYS HG3 1.0 . 4.64 854 789 A 90 GLU H A 89 GLU HA 1.0 . 4.73 855 790 A 90 GLU H A 92 ALA H 1.0 . 5.24 856 791 A 90 GLU H A 91 ARG H 1.0 . 3.67 857 792 A 90 GLU H A 93 ASP HB2 1.0 . 6.50 858 792 A 93 ASP HB3 A 90 GLU H 1.0 . 6.50 859 793 A 90 GLU H A 91 ARG HA 1.0 . 5.95 860 794 A 90 GLU H A 90 GLU HB2 1.0 . 3.82 861 795 A 61 GLU H A 61 GLU HB2 1.0 . 3.79 862 795 A 61 GLU HB3 A 61 GLU H 1.0 . 3.79 863 796 A 36 PHE HD% A 61 GLU H 1.0 . 5.33 864 797 A 63 THR H A 61 GLU H 1.0 . 6.50 865 798 A 60 GLY HA3 A 61 GLU H 1.0 . 4.13 866 799 A 62 ASP H A 61 GLU H 1.0 . 4.68 867 800 A 62 ASP HB3 A 61 GLU H 1.0 . 6.35 868 801 A 95 ILE HG2% A 61 GLU H 1.0 . 5.51 869 802 A 61 GLU HG2 A 61 GLU H 1.0 . 4.38 870 803 A 61 GLU HA A 61 GLU H 1.0 . 4.57 871 804 A 60 GLY HA2 A 61 GLU H 1.0 . 4.17 872 805 A 60 GLY H A 61 GLU H 1.0 . 6.27 873 806 A 61 GLU H A 61 GLU HG3 1.0 . 4.59 874 807 A 64 LEU HG A 61 GLU H 1.0 . 6.29 875 808 A 59 TRP HE3 A 60 GLY H 1.0 . 4.09 876 809 A 58 ILE HD1% A 60 GLY H 1.0 . 5.26 877 810 A 64 LEU HA A 60 GLY H 1.0 . 6.50 878 811 A 59 TRP HB3 A 60 GLY H 1.0 . 4.48 879 812 A 60 GLY H A 63 THR HG2% 1.0 . 4.62 880 813 A 59 TRP H A 60 GLY H 1.0 . 5.61 881 814 A 60 GLY H A 64 LEU H 1.0 . 4.48 882 815 A 36 PHE HD% A 60 GLY H 1.0 . 6.25 883 816 A 60 GLY H A 63 THR H 1.0 . 4.71 884 817 A 60 GLY H A 60 GLY HA3 1.0 . 4.10 885 818 A 60 GLY H A 62 ASP H 1.0 . 6.50 886 819 A 60 GLY H A 59 TRP HZ3 1.0 . 6.13 887 820 A 60 GLY H A 60 GLY HA2 1.0 . 4.20 888 821 A 60 GLY H A 61 GLU H 1.0 . 6.50 889 822 A 60 GLY H A 58 ILE HG2% 1.0 . 6.00 890 823 A 60 GLY H A 64 LEU HB2 1.0 . 5.62 891 824 A 60 GLY H A 63 THR HB 1.0 . 5.48 892 825 A 64 LEU HB3 A 60 GLY H 1.0 . 6.50 893 826 A 60 GLY H A 59 TRP HB2 1.0 . 4.68 894 827 A 64 LEU HG A 60 GLY H 1.0 . 4.65 895 828 A 24 GLY HA2 A 31 ASN HD22 1.0 . 4.48 896 829 A 19 THR HB A 31 ASN HD22 1.0 . 6.15 897 830 A 24 GLY H A 31 ASN HD22 1.0 . 4.76 898 831 A 31 ASN HD21 A 31 ASN HD22 1.0 . 3.36 899 832 A 31 ASN HB3 A 31 ASN HD22 1.0 . 5.06 900 833 A 33 HIS HB2 A 31 ASN HD22 1.0 . 6.08 901 834 A 31 ASN HD22 A 31 ASN HA 1.0 . 4.79 902 835 A 31 ASN HD22 A 22 LYS H 1.0 . 6.40 903 836 A 31 ASN HD22 A 25 LYS H 1.0 . 6.06 904 837 A 31 ASN HD22 A 33 HIS HB3 1.0 . 5.93 905 838 A 24 GLY HA3 A 31 ASN HD22 1.0 . 5.00 906 839 A 31 ASN HD22 A 31 ASN HB2 1.0 . 4.48 907 840 A 70 ASN HD22 A 70 ASN HA 1.0 . 5.50 908 841 A 70 ASN HD22 A 70 ASN HB2 1.0 . 3.49 909 841 A 70 ASN HD22 A 70 ASN HB3 1.0 . 3.49 910 842 A 70 ASN HD22 A 70 ASN HD21 1.0 . 2.87 911 843 A 68 LEU HA A 70 ASN H 1.0 . 5.28 912 844 A 70 ASN H A 69 GLU HG3 1.0 . 5.27 913 845 A 68 LEU H A 70 ASN H 1.0 . 5.86 914 846 A 70 ASN H A 69 GLU HA 1.0 . 4.94 915 847 A 70 ASN H A 71 PRO HG3 1.0 . 5.96 916 848 A 70 ASN H A 70 ASN HA 1.0 . 4.14 917 849 A 70 ASN H A 71 PRO HD2 1.0 . 5.04 918 850 A 70 ASN H A 68 LEU HD1% 1.0 . 6.50 919 850 A 68 LEU HD2% A 70 ASN H 1.0 . 6.50 920 851 A 67 TYR HA A 70 ASN H 1.0 . 5.40 921 852 A 70 ASN H A 69 GLU HB3 1.0 . 4.51 922 853 A 70 ASN H A 71 PRO HA 1.0 . 6.01 923 854 A 70 ASN H A 69 GLU HB2 1.0 . 4.08 924 855 A 70 ASN H A 67 TYR H 1.0 . 6.50 925 856 A 70 ASN H A 71 PRO HB2 1.0 . 6.50 926 857 A 70 ASN H A 70 ASN HD22 1.0 . 6.50 927 858 A 70 ASN H A 69 GLU HG2 1.0 . 5.48 928 859 A 70 ASN H A 73 LYS HG2 1.0 . 6.50 929 859 A 70 ASN H A 73 LYS HG3 1.0 . 6.50 930 860 A 70 ASN H A 70 ASN HB2 1.0 . 4.68 931 860 A 70 ASN H A 70 ASN HB3 1.0 . 4.68 932 861 A 70 ASN H A 71 PRO HG2 1.0 . 6.12 933 862 A 70 ASN H A 73 LYS HE2 1.0 . 5.21 934 862 A 70 ASN H A 73 LYS HE3 1.0 . 5.21 935 863 A 70 ASN H A 71 PRO HD3 1.0 . 4.33 936 864 A 70 ASN H A 73 LYS HB2 1.0 . 5.34 937 864 A 70 ASN H A 73 LYS HB3 1.0 . 5.34 938 865 A 70 ASN H A 69 GLU H 1.0 . 3.75 939 866 A 70 ASN H A 70 ASN HD21 1.0 . 6.50 940 867 A 70 ASN H A 85 ILE H 1.0 . 6.50 941 868 A 4 GLU HG3 A 3 VAL H 1.0 . 6.50 942 869 A 3 VAL H A 3 VAL HB 1.0 . 3.75 943 870 A 5 LYS HG2 A 3 VAL H 1.0 . 6.50 944 871 A 4 GLU HB3 A 3 VAL H 1.0 . 5.86 945 872 A 3 VAL H A 97 TYR HA 1.0 . 6.40 946 873 A 3 VAL HG2% A 3 VAL H 1.0 . 3.54 947 874 A 100 LYS HB3 A 3 VAL H 1.0 . 6.50 948 875 A 2 ASP HB3 A 3 VAL H 1.0 . 4.92 949 876 A 5 LYS H A 3 VAL H 1.0 . 4.85 950 877 A 96 ALA HB% A 3 VAL H 1.0 . 4.75 951 878 A 3 VAL H A 3 VAL HA 1.0 . 4.03 952 879 A 4 GLU HG2 A 3 VAL H 1.0 . 6.49 953 880 A 4 GLU HA A 3 VAL H 1.0 . 5.72 954 881 A 100 LYS HB2 A 3 VAL H 1.0 . 6.50 955 882 A 3 VAL H A 2 ASP HB2 1.0 . 5.34 956 883 A 3 VAL H A 4 GLU HB2 1.0 . 4.94 957 884 A 3 VAL HG1% A 3 VAL H 1.0 . 3.81 958 885 A 3 VAL H A 4 GLU H 1.0 . 4.19 959 886 A 3 VAL H A 100 LYS HD2 1.0 . 6.50 960 886 A 100 LYS HD3 A 3 VAL H 1.0 . 6.50 961 887 A 3 VAL H A 6 GLY H 1.0 . 6.50 962 888 A 2 ASP H A 3 VAL H 1.0 . 6.50 963 889 A 54 ASN H A 55 LYS H 1.0 . 6.50 964 890 A 55 LYS H A 55 LYS HB2 1.0 . 5.65 965 891 A 54 ASN HA A 55 LYS H 1.0 . 6.50 966 892 A 55 LYS H A 54 ASN HB2 1.0 . 6.50 967 892 A 54 ASN HB3 A 55 LYS H 1.0 . 6.50 968 893 A 55 LYS H A 55 LYS HB3 1.0 . 5.58 969 894 A 55 LYS H A 55 LYS HA 1.0 . 6.07 970 895 A 80 MET HB2 A 81 ILE H 1.0 . 6.19 971 896 A 80 MET H A 81 ILE H 1.0 . 6.50 972 897 A 81 ILE HA A 81 ILE H 1.0 . 4.42 973 898 A 82 PHE H A 81 ILE H 1.0 . 5.61 974 899 A 81 ILE HB A 81 ILE H 1.0 . 3.82 975 900 A 81 ILE HG2% A 81 ILE H 1.0 . 4.93 976 901 A 82 PHE HB3 A 81 ILE H 1.0 . 6.50 977 902 A 81 ILE HG13 A 81 ILE H 1.0 . 4.23 978 903 A 81 ILE H A 81 ILE HD1% 1.0 . 4.78 979 904 A 81 ILE H A 80 MET HA 1.0 . 3.59 980 905 A 81 ILE H A 81 ILE HG12 1.0 . 4.36 981 906 A 19 THR H A 20 VAL HG2% 1.0 . 6.50 982 907 A 19 THR H A 19 THR HB 1.0 . 4.87 983 908 A 19 THR H A 32 LEU HD2% 1.0 . 6.50 984 909 A 19 THR H A 31 ASN HB3 1.0 . 6.50 985 910 A 18 HIS HB3 A 19 THR H 1.0 . 5.25 986 911 A 19 THR H A 20 VAL HG1% 1.0 . 6.50 987 912 A 18 HIS HA A 19 THR H 1.0 . 3.78 988 913 A 32 LEU HD1% A 19 THR H 1.0 . 6.08 989 914 A 19 THR H A 31 ASN HA 1.0 . 4.66 990 915 A 19 THR H A 19 THR HG2% 1.0 . 4.33 991 916 A 19 THR H A 19 THR HA 1.0 . 4.89 992 917 A 19 THR H A 18 HIS HB2 1.0 . 4.90 993 918 A 19 THR H A 31 ASN HB2 1.0 . 6.50 994 919 A 19 THR H A 32 LEU H 1.0 . 5.70 995 920 A 39 LYS HB2 A 40 THR H 1.0 . 6.50 996 921 A 40 THR H A 39 LYS HG2 1.0 . 6.50 997 921 A 39 LYS HG3 A 40 THR H 1.0 . 6.50 998 922 A 40 THR HG2% A 40 THR H 1.0 . 5.46 999 923 A 40 THR H A 39 LYS HB3 1.0 . 6.50 1000 924 A 66 GLU H A 66 GLU HB2 1.0 . 3.80 1001 925 A 67 TYR HB2 A 66 GLU H 1.0 . 5.81 1002 926 A 63 THR HG2% A 66 GLU H 1.0 . 6.18 1003 927 A 66 GLU H A 66 GLU HG2 1.0 . 5.49 1004 928 A 64 LEU H A 66 GLU H 1.0 . 6.16 1005 929 A 66 GLU H A 65 MET HB3 1.0 . 4.17 1006 930 A 65 MET H A 66 GLU H 1.0 . 4.14 1007 931 A 67 TYR HA A 66 GLU H 1.0 . 6.50 1008 932 A 63 THR H A 66 GLU H 1.0 . 6.50 1009 933 A 62 ASP H A 66 GLU H 1.0 . 6.50 1010 934 A 66 GLU H A 66 GLU HB3 1.0 . 4.04 1011 935 A 66 GLU H A 64 LEU HD1% 1.0 . 6.50 1012 935 A 64 LEU HD2% A 66 GLU H 1.0 . 6.50 1013 936 A 66 GLU H A 67 TYR H 1.0 . 3.87 1014 937 A 66 GLU H A 66 GLU HG3 1.0 . 5.05 1015 938 A 63 THR HA A 66 GLU H 1.0 . 4.64 1016 939 A 65 MET HA A 66 GLU H 1.0 . 4.38 1017 940 A 63 THR HB A 66 GLU H 1.0 . 5.53 1018 941 A 66 GLU H A 66 GLU HA 1.0 . 4.14 1019 942 A 67 TYR HB3 A 66 GLU H 1.0 . 5.12 1020 943 A 66 GLU H A 65 MET HB2 1.0 . 4.29 1021 944 A 13 LYS HB3 A 13 LYS H 1.0 . 4.30 1022 945 A 12 MET HG3 A 13 LYS H 1.0 . 5.69 1023 946 A 11 ILE HA A 13 LYS H 1.0 . 6.50 1024 947 A 13 LYS H A 11 ILE HG2% 1.0 . 6.25 1025 948 A 13 LYS H A 13 LYS HE3 1.0 . 6.50 1026 949 A 13 LYS H A 12 MET HB2 1.0 . 3.63 1027 950 A 14 CYS H A 13 LYS H 1.0 . 3.78 1028 951 A 13 LYS H A 13 LYS HG3 1.0 . 5.28 1029 952 A 10 PHE HA A 13 LYS H 1.0 . 5.27 1030 953 A 13 LYS H A 12 MET H 1.0 . 3.80 1031 954 A 13 LYS H A 13 LYS HD2 1.0 . 4.07 1032 954 A 13 LYS HD3 A 13 LYS H 1.0 . 4.07 1033 955 A 12 MET HA A 13 LYS H 1.0 . 4.72 1034 956 A 13 LYS H A 9 ILE HG2% 1.0 . 5.30 1035 957 A 13 LYS HB2 A 13 LYS H 1.0 . 3.78 1036 958 A 13 LYS HA A 13 LYS H 1.0 . 4.41 1037 959 A 13 LYS H A 12 MET HG2 1.0 . 5.72 1038 960 A 14 CYS HA A 13 LYS H 1.0 . 6.50 1039 961 A 13 LYS H A 13 LYS HE2 1.0 . 6.50 1040 962 A 13 LYS H A 12 MET HB3 1.0 . 4.07 1041 963 A 13 LYS H A 9 ILE HA 1.0 . 5.06 1042 964 A 13 LYS H A 14 CYS HB3 1.0 . 5.50 1043 965 A 15 SER H A 13 LYS H 1.0 . 5.08 1044 966 A 13 LYS H A 13 LYS HG2 1.0 . 5.09 1045 967 A 89 GLU H A 92 ALA H 1.0 . 6.50 1046 968 A 94 LEU H A 92 ALA H 1.0 . 5.36 1047 969 A 92 ALA H A 91 ARG HB3 1.0 . 4.33 1048 970 A 88 LYS HA A 92 ALA H 1.0 . 5.38 1049 971 A 92 ALA HB% A 92 ALA H 1.0 . 3.12 1050 972 A 92 ALA H A 93 ASP H 1.0 . 4.21 1051 973 A 92 ALA H A 91 ARG HB2 1.0 . 3.95 1052 974 A 92 ALA H A 92 ALA HA 1.0 . 3.85 1053 975 A 92 ALA H A 91 ARG HG2 1.0 . 5.30 1054 976 A 90 GLU H A 92 ALA H 1.0 . 5.25 1055 977 A 94 LEU HB3 A 92 ALA H 1.0 . 5.20 1056 978 A 89 GLU HA A 92 ALA H 1.0 . 4.21 1057 979 A 92 ALA H A 91 ARG H 1.0 . 4.02 1058 980 A 92 ALA H A 93 ASP HB2 1.0 . 5.82 1059 980 A 93 ASP HB3 A 92 ALA H 1.0 . 5.82 1060 981 A 92 ALA H A 91 ARG HA 1.0 . 4.86 1061 982 A 92 ALA H A 91 ARG HG3 1.0 . 5.76 1062 983 A 94 LEU HB2 A 92 ALA H 1.0 . 5.35 1063 984 A 95 ILE H A 92 ALA H 1.0 . 6.14 1064 985 A 97 TYR HE2 A 11 ILE H 1.0 . 6.50 1065 986 A 10 PHE HB2 A 11 ILE H 1.0 . 4.16 1066 987 A 11 ILE HA A 11 ILE H 1.0 . 4.46 1067 988 A 11 ILE HG2% A 11 ILE H 1.0 . 4.16 1068 989 A 12 MET HB2 A 11 ILE H 1.0 . 6.31 1069 990 A 11 ILE HG12 A 11 ILE H 1.0 . 3.65 1070 991 A 10 PHE HA A 11 ILE H 1.0 . 5.56 1071 992 A 12 MET H A 11 ILE H 1.0 . 4.11 1072 993 A 10 PHE HB3 A 11 ILE H 1.0 . 4.71 1073 994 A 10 PHE H A 11 ILE H 1.0 . 4.27 1074 995 A 8 LYS H A 11 ILE H 1.0 . 5.73 1075 996 A 11 ILE HD1% A 11 ILE H 1.0 . 4.41 1076 997 A 8 LYS HA A 11 ILE H 1.0 . 4.71 1077 998 A 13 LYS H A 11 ILE H 1.0 . 5.64 1078 999 A 11 ILE HG13 A 11 ILE H 1.0 . 4.11 1079 1000 A 12 MET HB3 A 11 ILE H 1.0 . 5.18 1080 1001 A 11 ILE HB A 11 ILE H 1.0 . 3.23 1081 1002 A 9 ILE H A 11 ILE H 1.0 . 6.50 1082 1003 A 15 SER HB3 A 11 ILE H 1.0 . 6.50 1083 1004 A 20 VAL HG2% A 22 LYS H 1.0 . 6.10 1084 1005 A 24 GLY H A 22 LYS H 1.0 . 6.50 1085 1006 A 22 LYS HA A 22 LYS H 1.0 . 4.23 1086 1007 A 23 GLY HA3 A 22 LYS H 1.0 . 5.98 1087 1008 A 22 LYS HG2 A 22 LYS H 1.0 . 5.00 1088 1009 A 22 LYS H A 23 GLY H 1.0 . 6.27 1089 1010 A 22 LYS H A 21 GLU HG2 1.0 . 4.56 1090 1010 A 21 GLU HG3 A 22 LYS H 1.0 . 4.56 1091 1011 A 22 LYS H A 22 LYS HE2 1.0 . 5.32 1092 1011 A 22 LYS H A 22 LYS HE3 1.0 . 5.32 1093 1012 A 21 GLU HB3 A 22 LYS H 1.0 . 4.68 1094 1013 A 23 GLY HA2 A 22 LYS H 1.0 . 6.50 1095 1014 A 21 GLU HA A 22 LYS H 1.0 . 3.39 1096 1015 A 22 LYS H A 22 LYS HB3 1.0 . 3.66 1097 1016 A 22 LYS HB2 A 22 LYS H 1.0 . 3.58 1098 1017 A 22 LYS HG3 A 22 LYS H 1.0 . 4.97 1099 1018 A 22 LYS H A 22 LYS HD2 1.0 . 4.93 1100 1018 A 22 LYS H A 22 LYS HD3 1.0 . 4.93 1101 1019 A 21 GLU HB2 A 22 LYS H 1.0 . 4.53 1102 1020 A 89 GLU H A 91 ARG H 1.0 . 5.98 1103 1021 A 91 ARG H A 91 ARG HB3 1.0 . 3.91 1104 1022 A 88 LYS HA A 91 ARG H 1.0 . 4.84 1105 1023 A 91 ARG H A 90 GLU HG2 1.0 . 5.45 1106 1024 A 92 ALA HB% A 91 ARG H 1.0 . 4.34 1107 1025 A 91 ARG H A 90 GLU HA 1.0 . 5.54 1108 1026 A 91 ARG H A 93 ASP H 1.0 . 5.62 1109 1027 A 91 ARG H A 91 ARG HB2 1.0 . 3.81 1110 1028 A 91 ARG H A 91 ARG HG2 1.0 . 6.06 1111 1029 A 91 ARG H A 87 LYS H 1.0 . 6.50 1112 1030 A 91 ARG H A 91 ARG HD2 1.0 . 6.30 1113 1031 A 85 ILE HG2% A 91 ARG H 1.0 . 3.90 1114 1032 A 91 ARG H A 90 GLU HG3 1.0 . 4.95 1115 1033 A 90 GLU H A 91 ARG H 1.0 . 3.67 1116 1034 A 89 GLU HA A 91 ARG H 1.0 . 5.27 1117 1035 A 92 ALA H A 91 ARG H 1.0 . 3.98 1118 1036 A 91 ARG H A 93 ASP HB2 1.0 . 6.50 1119 1036 A 93 ASP HB3 A 91 ARG H 1.0 . 6.50 1120 1037 A 91 ARG H A 91 ARG HA 1.0 . 4.25 1121 1038 A 91 ARG H A 91 ARG HG3 1.0 . 4.48 1122 1039 A 91 ARG H A 90 GLU HB2 1.0 . 3.91 1123 1040 A 91 ARG H A 91 ARG HD3 1.0 . 5.79 1124 1041 A 103 ASN H A 104 GLU HG2 1.0 . 5.02 1125 1041 A 103 ASN H A 104 GLU HG3 1.0 . 5.02 1126 1042 A 99 LYS H A 103 ASN H 1.0 . 6.50 1127 1043 A 103 ASN H A 103 ASN HB2 1.0 . 3.96 1128 1044 A 100 LYS H A 103 ASN H 1.0 . 5.71 1129 1045 A 103 ASN H A 103 ASN HD21 1.0 . 6.50 1130 1046 A 99 LYS HA A 103 ASN H 1.0 . 6.43 1131 1047 A 103 ASN H A 104 GLU HB2 1.0 . 5.88 1132 1048 A 103 ASN H A 102 THR HA 1.0 . 5.26 1133 1049 A 103 ASN H A 104 GLU HA 1.0 . 4.97 1134 1050 A 103 ASN H A 101 ALA HA 1.0 . 4.60 1135 1051 A 103 ASN H A 102 THR HG2% 1.0 . 4.91 1136 1052 A 103 ASN H A 104 GLU H 1.0 . 3.47 1137 1053 A 103 ASN H A 104 GLU HB3 1.0 . 6.14 1138 1054 A 103 ASN H A 100 LYS HA 1.0 . 5.13 1139 1055 A 103 ASN H A 103 ASN HB3 1.0 . 3.72 1140 1056 A 103 ASN H A 101 ALA HB% 1.0 . 5.13 1141 1057 A 103 ASN H A 101 ALA H 1.0 . 5.68 1142 1058 A 24 GLY HA2 A 25 LYS H 1.0 . 3.92 1143 1059 A 25 LYS H A 25 LYS HB2 1.0 . 3.99 1144 1060 A 25 LYS H A 25 LYS HE2 1.0 . 5.64 1145 1060 A 25 LYS H A 25 LYS HE3 1.0 . 5.64 1146 1061 A 19 THR HB A 25 LYS H 1.0 . 5.82 1147 1062 A 24 GLY H A 25 LYS H 1.0 . 5.17 1148 1063 A 31 ASN HD21 A 25 LYS H 1.0 . 6.50 1149 1064 A 25 LYS H A 25 LYS HA 1.0 . 4.20 1150 1065 A 25 LYS H A 25 LYS HB3 1.0 . 3.64 1151 1066 A 25 LYS H A 25 LYS HD2 1.0 . 4.58 1152 1066 A 25 LYS H A 25 LYS HD3 1.0 . 4.58 1153 1067 A 25 LYS H A 26 HIS H 1.0 . 6.50 1154 1068 A 25 LYS H A 19 THR HG2% 1.0 . 5.93 1155 1069 A 24 GLY HA3 A 25 LYS H 1.0 . 3.46 1156 1070 A 25 LYS H A 25 LYS HG2 1.0 . 3.82 1157 1070 A 25 LYS H A 25 LYS HG3 1.0 . 3.82 1158 1071 A 4 GLU HG3 A 4 GLU H 1.0 . 4.07 1159 1072 A 3 VAL HB A 4 GLU H 1.0 . 3.87 1160 1073 A 5 LYS HG2 A 4 GLU H 1.0 . 5.24 1161 1074 A 4 GLU HB3 A 4 GLU H 1.0 . 3.91 1162 1075 A 5 LYS HA A 4 GLU H 1.0 . 5.59 1163 1076 A 3 VAL HG2% A 4 GLU H 1.0 . 4.18 1164 1077 A 2 ASP HB3 A 4 GLU H 1.0 . 6.50 1165 1078 A 5 LYS HG3 A 4 GLU H 1.0 . 5.60 1166 1079 A 3 VAL HA A 4 GLU H 1.0 . 4.50 1167 1080 A 4 GLU HG2 A 4 GLU H 1.0 . 4.19 1168 1081 A 4 GLU HA A 4 GLU H 1.0 . 3.84 1169 1082 A 3 VAL H A 4 GLU H 1.0 . 3.94 1170 1083 A 2 ASP HB2 A 4 GLU H 1.0 . 6.39 1171 1084 A 4 GLU HB2 A 4 GLU H 1.0 . 3.52 1172 1085 A 3 VAL HG1% A 4 GLU H 1.0 . 4.35 1173 1086 A 6 GLY H A 4 GLU H 1.0 . 4.99 1174 1087 A 4 GLU H A 5 LYS HB2 1.0 . 5.64 1175 1087 A 5 LYS HB3 A 4 GLU H 1.0 . 5.64 1176 1088 A 86 LYS H A 86 LYS HB2 1.0 . 3.91 1177 1088 A 86 LYS HB3 A 86 LYS H 1.0 . 3.91 1178 1089 A 87 LYS HG2 A 86 LYS H 1.0 . 5.93 1179 1090 A 87 LYS H A 86 LYS H 1.0 . 5.26 1180 1091 A 86 LYS HA A 86 LYS H 1.0 . 4.81 1181 1092 A 85 ILE HG2% A 86 LYS H 1.0 . 4.81 1182 1093 A 86 LYS H A 85 ILE HG13 1.0 . 5.45 1183 1094 A 85 ILE HB A 86 LYS H 1.0 . 5.01 1184 1095 A 86 LYS H A 85 ILE H 1.0 . 5.06 1185 1096 A 86 LYS H A 85 ILE HA 1.0 . 4.02 1186 1097 A 96 ALA H A 97 TYR H 1.0 . 3.89 1187 1098 A 99 LYS H A 97 TYR H 1.0 . 4.64 1188 1099 A 97 TYR H A 97 TYR HA 1.0 . 3.60 1189 1100 A 97 TYR H A 3 VAL HG2% 1.0 . 4.83 1190 1101 A 97 TYR HB3 A 97 TYR H 1.0 . 3.58 1191 1102 A 100 LYS H A 97 TYR H 1.0 . 6.50 1192 1103 A 97 TYR H A 97 TYR HD2 1.0 . 4.87 1193 1104 A 96 ALA HB% A 97 TYR H 1.0 . 3.55 1194 1105 A 98 LEU H A 97 TYR H 1.0 . 3.87 1195 1106 A 97 TYR H A 97 TYR HB2 1.0 . 3.53 1196 1107 A 97 TYR H A 6 GLY HA3 1.0 . 4.37 1197 1108 A 97 TYR H A 97 TYR HD1 1.0 . 4.99 1198 1109 A 96 ALA HA A 97 TYR H 1.0 . 4.32 1199 1110 A 97 TYR H A 98 LEU HA 1.0 . 5.76 1200 1111 A 97 TYR H A 3 VAL HG1% 1.0 . 5.00 1201 1112 A 75 ILE H A 75 ILE HA 1.0 . 4.42 1202 1113 A 74 TYR HB2 A 75 ILE H 1.0 . 4.60 1203 1114 A 75 ILE H A 75 ILE HG12 1.0 . 4.83 1204 1114 A 75 ILE H A 75 ILE HG13 1.0 . 4.83 1205 1115 A 73 LYS H A 75 ILE H 1.0 . 5.28 1206 1116 A 75 ILE HG2% A 75 ILE H 1.0 . 4.91 1207 1117 A 74 TYR H A 75 ILE H 1.0 . 4.02 1208 1118 A 75 ILE H A 76 PRO HD3 1.0 . 5.33 1209 1119 A 72 LYS H A 75 ILE H 1.0 . 6.50 1210 1120 A 74 TYR HB3 A 75 ILE H 1.0 . 4.33 1211 1121 A 75 ILE H A 74 TYR HD% 1.0 . 5.26 1212 1122 A 75 ILE H A 75 ILE HD1% 1.0 . 5.08 1213 1123 A 72 LYS HA A 75 ILE H 1.0 . 5.65 1214 1124 A 75 ILE HB A 75 ILE H 1.0 . 4.17 1215 1125 A 74 TYR HA A 75 ILE H 1.0 . 5.20 1216 1126 A 75 ILE H A 76 PRO HD2 1.0 . 5.48 1217 1127 A 45 GLY HA3 A 46 TYR H 1.0 . 4.97 1218 1128 A 46 TYR H A 46 TYR HA 1.0 . 5.01 1219 1129 A 43 ALA HB% A 46 TYR H 1.0 . 5.32 1220 1130 A 46 TYR H A 45 GLY HA2 1.0 . 4.66 1221 1131 A 46 TYR H A 46 TYR HB2 1.0 . 4.45 1222 1131 A 46 TYR H A 46 TYR HB3 1.0 . 4.45 1223 1132 A 97 TYR HE2 A 7 LYS H 1.0 . 6.50 1224 1133 A 7 LYS HA A 7 LYS H 1.0 . 3.96 1225 1134 A 9 ILE HG12 A 7 LYS H 1.0 . 6.01 1226 1135 A 97 TYR HB3 A 7 LYS H 1.0 . 4.71 1227 1136 A 7 LYS H A 7 LYS HG2 1.0 . 4.39 1228 1136 A 7 LYS H A 7 LYS HG3 1.0 . 4.39 1229 1137 A 97 TYR HD2 A 7 LYS H 1.0 . 5.52 1230 1138 A 7 LYS HB3 A 7 LYS H 1.0 . 3.55 1231 1139 A 7 LYS H A 97 TYR HE1 1.0 . 6.50 1232 1140 A 97 TYR HB2 A 7 LYS H 1.0 . 4.21 1233 1141 A 7 LYS H A 6 GLY HA3 1.0 . 4.46 1234 1142 A 8 LYS H A 7 LYS H 1.0 . 3.94 1235 1143 A 97 TYR HD1 A 7 LYS H 1.0 . 5.17 1236 1144 A 4 GLU HA A 7 LYS H 1.0 . 4.05 1237 1145 A 11 ILE HD1% A 7 LYS H 1.0 . 4.87 1238 1146 A 6 GLY HA2 A 7 LYS H 1.0 . 4.70 1239 1147 A 7 LYS H A 7 LYS HD2 1.0 . 4.34 1240 1147 A 7 LYS HD3 A 7 LYS H 1.0 . 4.34 1241 1148 A 7 LYS H A 7 LYS HB2 1.0 . 3.57 1242 1149 A 6 GLY H A 7 LYS H 1.0 . 4.17 1243 1150 A 9 ILE H A 7 LYS H 1.0 . 5.85 1244 1151 A 35 LEU HD2% A 59 TRP HE1 1.0 . 4.90 1245 1152 A 59 TRP HE3 A 59 TRP HE1 1.0 . 6.50 1246 1153 A 59 TRP HE1 A 40 THR HA 1.0 . 5.04 1247 1154 A 59 TRP HB3 A 59 TRP HE1 1.0 . 6.50 1248 1155 A 59 TRP HE1 A 41 GLY H 1.0 . 6.50 1249 1156 A 59 TRP HE1 A 38 ARG HG2 1.0 . 6.50 1250 1157 A 59 TRP HD1 A 59 TRP HE1 1.0 . 3.75 1251 1158 A 59 TRP HE1 A 40 THR HG2% 1.0 . 4.17 1252 1159 A 59 TRP HE1 A 38 ARG HB2 1.0 . 5.64 1253 1159 A 59 TRP HE1 A 38 ARG HB3 1.0 . 5.64 1254 1160 A 59 TRP HE1 A 38 ARG HG3 1.0 . 6.50 1255 1161 A 59 TRP HE1 A 40 THR H 1.0 . 6.50 1256 1162 A 59 TRP HE1 A 40 THR HB 1.0 . 5.66 1257 1163 A 59 TRP HE1 A 59 TRP HB2 1.0 . 6.50 1258 1164 A 5 LYS HG2 A 6 GLY H 1.0 . 4.91 1259 1165 A 6 GLY H A 7 LYS HA 1.0 . 5.49 1260 1166 A 5 LYS HA A 6 GLY H 1.0 . 4.51 1261 1167 A 97 TYR HB3 A 6 GLY H 1.0 . 5.25 1262 1168 A 2 ASP HB3 A 6 GLY H 1.0 . 6.13 1263 1169 A 5 LYS H A 6 GLY H 1.0 . 4.44 1264 1170 A 6 GLY H A 97 TYR HB2 1.0 . 4.26 1265 1171 A 5 LYS HG3 A 6 GLY H 1.0 . 4.89 1266 1172 A 6 GLY H A 6 GLY HA3 1.0 . 3.62 1267 1173 A 8 LYS H A 6 GLY H 1.0 . 5.87 1268 1174 A 3 VAL H A 6 GLY H 1.0 . 6.50 1269 1175 A 2 ASP HB2 A 6 GLY H 1.0 . 5.31 1270 1176 A 6 GLY HA2 A 6 GLY H 1.0 . 3.83 1271 1177 A 6 GLY H A 93 ASP HB2 1.0 . 4.03 1272 1177 A 93 ASP HB3 A 6 GLY H 1.0 . 4.03 1273 1178 A 6 GLY H A 4 GLU H 1.0 . 4.26 1274 1179 A 6 GLY H A 7 LYS HD2 1.0 . 4.76 1275 1179 A 6 GLY H A 7 LYS HD3 1.0 . 4.76 1276 1180 A 6 GLY H A 7 LYS H 1.0 . 4.17 1277 1181 A 6 GLY H A 5 LYS HE2 1.0 . 5.96 1278 1181 A 5 LYS HE3 A 6 GLY H 1.0 . 5.96 1279 1182 A 93 ASP HA A 6 GLY H 1.0 . 4.72 1280 1183 A 6 GLY H A 9 ILE H 1.0 . 6.50 1281 1184 A 6 GLY H A 5 LYS HB2 1.0 . 3.66 1282 1184 A 6 GLY H A 5 LYS HB3 1.0 . 3.66 1283 1185 A 35 LEU HD2% A 36 PHE H 1.0 . 5.78 1284 1186 A 36 PHE HB2 A 36 PHE H 1.0 . 3.80 1285 1187 A 36 PHE HB3 A 36 PHE H 1.0 . 4.21 1286 1188 A 36 PHE H A 37 GLY H 1.0 . 5.86 1287 1189 A 36 PHE HD% A 36 PHE H 1.0 . 3.69 1288 1190 A 36 PHE H A 35 LEU HA 1.0 . 5.02 1289 1191 A 35 LEU HD1% A 36 PHE H 1.0 . 5.27 1290 1192 A 36 PHE H A 35 LEU H 1.0 . 4.68 1291 1193 A 36 PHE H A 35 LEU HG 1.0 . 5.28 1292 1194 A 103 ASN HD22 A 36 PHE H 1.0 . 6.50 1293 1195 A 36 PHE H A 35 LEU HB2 1.0 . 4.70 1294 1196 A 36 PHE H A 34 GLY HA2 1.0 . 5.82 1295 1197 A 36 PHE H A 35 LEU HB3 1.0 . 4.35 1296 1198 A 36 PHE H A 32 LEU HG 1.0 . 6.50 1297 1199 A 36 PHE HE% A 36 PHE H 1.0 . 5.40 1298 1200 A 38 ARG H A 36 PHE H 1.0 . 6.50 1299 1201 A 36 PHE H A 36 PHE HA 1.0 . 4.35 1300 1202 A 68 LEU HG A 69 GLU H 1.0 . 5.08 1301 1203 A 68 LEU HA A 69 GLU H 1.0 . 4.62 1302 1204 A 69 GLU H A 69 GLU HG3 1.0 . 5.83 1303 1205 A 68 LEU H A 69 GLU H 1.0 . 3.95 1304 1206 A 69 GLU H A 69 GLU HA 1.0 . 4.20 1305 1207 A 68 LEU HB2 A 69 GLU H 1.0 . 4.00 1306 1208 A 69 GLU H A 70 ASN HA 1.0 . 6.37 1307 1209 A 69 GLU H A 65 MET HB3 1.0 . 5.85 1308 1210 A 69 GLU H A 68 LEU HD1% 1.0 . 5.70 1309 1210 A 68 LEU HD2% A 69 GLU H 1.0 . 5.70 1310 1211 A 69 GLU H A 65 MET HG2 1.0 . 6.50 1311 1212 A 67 TYR HA A 69 GLU H 1.0 . 5.70 1312 1213 A 68 LEU HB3 A 69 GLU H 1.0 . 5.52 1313 1214 A 69 GLU H A 69 GLU HB3 1.0 . 4.01 1314 1215 A 69 GLU H A 69 GLU HB2 1.0 . 3.62 1315 1216 A 70 ASN H A 69 GLU H 1.0 . 3.75 1316 1217 A 69 GLU H A 69 GLU HG2 1.0 . 5.19 1317 1218 A 65 MET HA A 69 GLU H 1.0 . 5.15 1318 1219 A 69 GLU H A 85 ILE HG13 1.0 . 6.50 1319 1220 A 69 GLU H A 70 ASN HB2 1.0 . 5.51 1320 1220 A 69 GLU H A 70 ASN HB3 1.0 . 5.51 1321 1221 A 69 GLU H A 65 MET HG3 1.0 . 6.22 1322 1222 A 69 GLU H A 66 GLU HA 1.0 . 5.09 1323 1223 A 85 ILE HB A 69 GLU H 1.0 . 6.12 1324 1224 A 69 GLU H A 65 MET HB2 1.0 . 6.50 1325 1225 A 69 GLU H A 85 ILE H 1.0 . 6.15 1326 1226 A 96 ALA H A 2 ASP H 1.0 . 6.50 1327 1227 A 2 ASP H A 5 LYS HG2 1.0 . 6.50 1328 1228 A 1 GLY HA3 A 2 ASP H 1.0 . 4.17 1329 1229 A 3 VAL HG2% A 2 ASP H 1.0 . 6.50 1330 1230 A 2 ASP H A 2 ASP HB3 1.0 . 4.23 1331 1231 A 2 ASP H A 5 LYS H 1.0 . 6.50 1332 1232 A 96 ALA HB% A 2 ASP H 1.0 . 4.91 1333 1233 A 1 GLY HA2 A 2 ASP H 1.0 . 4.38 1334 1234 A 2 ASP H A 3 VAL H 1.0 . 6.21 1335 1235 A 2 ASP H A 2 ASP HB2 1.0 . 4.12 1336 1236 A 3 VAL HG1% A 2 ASP H 1.0 . 6.50 1337 1237 A 2 ASP H A 93 ASP HB2 1.0 . 5.15 1338 1237 A 93 ASP HB3 A 2 ASP H 1.0 . 5.15 1339 1238 A 2 ASP H A 4 GLU H 1.0 . 6.50 1340 1239 A 93 ASP HA A 2 ASP H 1.0 . 4.05 1341 1240 A 2 ASP H A 2 ASP HA 1.0 . 6.50 1342 1241 A 2 ASP H A 5 LYS HB2 1.0 . 5.67 1343 1241 A 2 ASP H A 5 LYS HB3 1.0 . 5.67 1344 1242 A 14 CYS HB2 A 15 SER H 1.0 . 4.74 1345 1243 A 15 SER H A 11 ILE HA 1.0 . 4.62 1346 1244 A 16 GLN H A 15 SER H 1.0 . 4.78 1347 1245 A 15 SER H A 11 ILE HG2% 1.0 . 5.61 1348 1246 A 14 CYS H A 15 SER H 1.0 . 3.43 1349 1247 A 15 SER H A 10 PHE HA 1.0 . 5.52 1350 1248 A 15 SER HA A 15 SER H 1.0 . 4.10 1351 1249 A 15 SER H A 12 MET HA 1.0 . 6.50 1352 1250 A 15 SER HB2 A 15 SER H 1.0 . 4.37 1353 1251 A 15 SER H A 13 LYS HB2 1.0 . 5.80 1354 1252 A 15 SER H A 13 LYS HA 1.0 . 6.50 1355 1253 A 16 GLN HB2 A 15 SER H 1.0 . 5.94 1356 1254 A 15 SER H A 13 LYS H 1.0 . 4.73 1357 1255 A 14 CYS HA A 15 SER H 1.0 . 5.14 1358 1256 A 15 SER H A 14 CYS HB3 1.0 . 4.53 1359 1257 A 15 SER H A 10 PHE HD1 1.0 . 6.50 1360 1258 A 15 SER H A 15 SER HB3 1.0 . 3.98 1361 1259 A 89 GLU H A 88 LYS H 1.0 . 5.52 1362 1260 A 88 LYS HA A 88 LYS H 1.0 . 5.11 1363 1261 A 87 LYS HA A 88 LYS H 1.0 . 3.92 1364 1262 A 88 LYS HB3 A 88 LYS H 1.0 . 4.76 1365 1263 A 87 LYS HB3 A 88 LYS H 1.0 . 4.93 1366 1264 A 88 LYS H A 87 LYS H 1.0 . 6.50 1367 1265 A 90 GLU H A 88 LYS H 1.0 . 6.50 1368 1266 A 88 LYS H A 88 LYS HD2 1.0 . 5.43 1369 1266 A 88 LYS HD3 A 88 LYS H 1.0 . 5.43 1370 1267 A 88 LYS H A 89 GLU HB2 1.0 . 6.50 1371 1267 A 89 GLU HB3 A 88 LYS H 1.0 . 6.50 1372 1268 A 88 LYS H A 88 LYS HG2 1.0 . 5.06 1373 1268 A 88 LYS HG3 A 88 LYS H 1.0 . 5.06 1374 1269 A 88 LYS H A 88 LYS HB2 1.0 . 5.34 1375 1270 A 96 ALA H A 95 ILE H 1.0 . 3.88 1376 1271 A 95 ILE HA A 95 ILE H 1.0 . 4.04 1377 1272 A 95 ILE H A 95 ILE HG13 1.0 . 3.87 1378 1273 A 94 LEU H A 95 ILE H 1.0 . 4.51 1379 1274 A 95 ILE H A 92 ALA HB% 1.0 . 5.08 1380 1275 A 95 ILE H A 93 ASP H 1.0 . 4.34 1381 1276 A 96 ALA HB% A 95 ILE H 1.0 . 4.62 1382 1277 A 95 ILE H A 92 ALA HA 1.0 . 4.39 1383 1278 A 95 ILE HB A 95 ILE H 1.0 . 3.33 1384 1279 A 94 LEU HA A 95 ILE H 1.0 . 5.32 1385 1280 A 95 ILE HG2% A 95 ILE H 1.0 . 4.07 1386 1281 A 96 ALA HA A 95 ILE H 1.0 . 5.38 1387 1282 A 95 ILE H A 95 ILE HG12 1.0 . 3.61 1388 1283 A 94 LEU HB3 A 95 ILE H 1.0 . 4.00 1389 1284 A 95 ILE H A 94 LEU HG 1.0 . 4.83 1390 1285 A 95 ILE H A 92 ALA H 1.0 . 6.30 1391 1286 A 95 ILE H A 93 ASP HB2 1.0 . 5.63 1392 1286 A 93 ASP HB3 A 95 ILE H 1.0 . 5.63 1393 1287 A 95 ILE H A 91 ARG HA 1.0 . 5.39 1394 1288 A 94 LEU HB2 A 95 ILE H 1.0 . 3.93 1395 1289 A 95 ILE H A 93 ASP HA 1.0 . 5.71 1396 1290 A 95 ILE HD1% A 95 ILE H 1.0 . 3.87 1397 1291 A 53 LYS HA A 54 ASN HD21 1.0 . 6.50 1398 1292 A 54 ASN HA A 54 ASN HD21 1.0 . 6.50 1399 1293 A 54 ASN HD21 A 54 ASN HB2 1.0 . 4.25 1400 1293 A 54 ASN HB3 A 54 ASN HD21 1.0 . 4.25 1401 1294 A 50 ALA HB% A 54 ASN HD21 1.0 . 4.75 1402 1295 A 39 LYS HB3 A 54 ASN HD21 1.0 . 6.50 1403 1296 A 68 LEU HA A 70 ASN HD21 1.0 . 6.50 1404 1297 A 70 ASN HD21 A 73 LYS HD2 1.0 . 4.75 1405 1297 A 73 LYS HD3 A 70 ASN HD21 1.0 . 4.75 1406 1298 A 70 ASN HA A 70 ASN HD21 1.0 . 6.47 1407 1299 A 71 PRO HD2 A 70 ASN HD21 1.0 . 6.50 1408 1300 A 70 ASN HD21 A 69 GLU HB2 1.0 . 6.50 1409 1301 A 70 ASN HD22 A 70 ASN HD21 1.0 . 2.91 1410 1302 A 70 ASN H A 70 ASN HD21 1.0 . 6.50 1411 1303 A 70 ASN HD21 A 73 LYS HG2 1.0 . 5.07 1412 1303 A 73 LYS HG3 A 70 ASN HD21 1.0 . 5.07 1413 1304 A 70 ASN HD21 A 70 ASN HB2 1.0 . 3.36 1414 1304 A 70 ASN HB3 A 70 ASN HD21 1.0 . 3.36 1415 1305 A 70 ASN HD21 A 73 LYS HB2 1.0 . 3.97 1416 1305 A 73 LYS HB3 A 70 ASN HD21 1.0 . 3.97 1417 1306 A 10 PHE HB2 A 9 ILE H 1.0 . 5.79 1418 1307 A 9 ILE HD1% A 9 ILE H 1.0 . 4.03 1419 1308 A 7 LYS HA A 9 ILE H 1.0 . 5.40 1420 1309 A 9 ILE HG12 A 9 ILE H 1.0 . 3.74 1421 1310 A 11 ILE HA A 9 ILE H 1.0 . 6.50 1422 1311 A 9 ILE H A 7 LYS HB3 1.0 . 5.22 1423 1312 A 10 PHE H A 9 ILE H 1.0 . 3.97 1424 1313 A 94 LEU HA A 9 ILE H 1.0 . 6.50 1425 1314 A 9 ILE H A 6 GLY HA3 1.0 . 6.13 1426 1315 A 9 ILE H A 8 LYS HB2 1.0 . 3.51 1427 1315 A 8 LYS HB3 A 9 ILE H 1.0 . 3.51 1428 1316 A 9 ILE HB A 9 ILE H 1.0 . 3.55 1429 1317 A 8 LYS H A 9 ILE H 1.0 . 3.90 1430 1318 A 9 ILE HG2% A 9 ILE H 1.0 . 4.80 1431 1319 A 94 LEU HG A 9 ILE H 1.0 . 6.50 1432 1320 A 6 GLY HA2 A 9 ILE H 1.0 . 4.97 1433 1321 A 8 LYS HA A 9 ILE H 1.0 . 5.06 1434 1322 A 9 ILE H A 11 ILE H 1.0 . 5.85 1435 1323 A 9 ILE H A 9 ILE HG13 1.0 . 4.02 1436 1324 A 9 ILE H A 93 ASP HB2 1.0 . 6.50 1437 1324 A 93 ASP HB3 A 9 ILE H 1.0 . 6.50 1438 1325 A 9 ILE HA A 9 ILE H 1.0 . 4.00 1439 1326 A 9 ILE H A 7 LYS H 1.0 . 5.38 1440 1327 A 94 LEU HB2 A 9 ILE H 1.0 . 5.72 1441 1328 A 9 ILE H A 7 LYS HB2 1.0 . 5.18 1442 1329 A 6 GLY H A 9 ILE H 1.0 . 5.59 1443 1330 A 58 ILE HD1% A 38 ARG H 1.0 . 4.44 1444 1331 A 59 TRP HB3 A 38 ARG H 1.0 . 5.30 1445 1332 A 38 ARG H A 37 GLY HA2 1.0 . 4.53 1446 1333 A 59 TRP H A 38 ARG H 1.0 . 5.70 1447 1334 A 38 ARG H A 38 ARG HG2 1.0 . 3.92 1448 1335 A 38 ARG H A 37 GLY H 1.0 . 3.91 1449 1336 A 38 ARG H A 38 ARG HD2 1.0 . 5.78 1450 1337 A 38 ARG H A 35 LEU HG 1.0 . 6.50 1451 1338 A 58 ILE HA A 38 ARG H 1.0 . 6.50 1452 1339 A 59 TRP HD1 A 38 ARG H 1.0 . 6.02 1453 1340 A 38 ARG H A 38 ARG HB2 1.0 . 3.70 1454 1340 A 38 ARG H A 38 ARG HB3 1.0 . 3.70 1455 1341 A 38 ARG H A 38 ARG HG3 1.0 . 4.94 1456 1342 A 38 ARG H A 38 ARG HD3 1.0 . 6.43 1457 1343 A 38 ARG H A 36 PHE H 1.0 . 6.33 1458 1344 A 38 ARG H A 59 TRP HB2 1.0 . 4.86 1459 1345 A 38 ARG H A 37 GLY HA3 1.0 . 4.61 1460 1346 A 38 ARG H A 36 PHE HA 1.0 . 4.53 1461 1347 A 38 ARG H A 38 ARG HA 1.0 . 5.38 1462 1348 A 42 GLN H A 42 GLN HG3 1.0 . 4.84 1463 1349 A 42 GLN H A 50 ALA HA 1.0 . 6.29 1464 1350 A 41 GLY H A 42 GLN H 1.0 . 5.27 1465 1351 A 41 GLY HA3 A 42 GLN H 1.0 . 5.98 1466 1352 A 42 GLN H A 42 GLN HA 1.0 . 5.16 1467 1353 A 42 GLN H A 42 GLN HG2 1.0 . 5.16 1468 1354 A 42 GLN H A 42 GLN HB2 1.0 . 5.11 1469 1355 A 41 GLY HA2 A 42 GLN H 1.0 . 5.73 1470 1356 A 42 GLN H A 43 ALA HB% 1.0 . 6.44 1471 1357 A 42 GLN H A 42 GLN HB3 1.0 . 4.37 1472 1358 A 32 LEU HB3 A 32 LEU H 1.0 . 4.01 1473 1359 A 32 LEU H A 32 LEU HA 1.0 . 4.35 1474 1360 A 32 LEU H A 32 LEU HD2% 1.0 . 4.93 1475 1361 A 31 ASN HD21 A 32 LEU H 1.0 . 6.30 1476 1362 A 32 LEU H A 33 HIS HA 1.0 . 5.21 1477 1363 A 31 ASN HB3 A 32 LEU H 1.0 . 5.45 1478 1364 A 33 HIS HB2 A 32 LEU H 1.0 . 6.50 1479 1365 A 32 LEU H A 33 HIS H 1.0 . 4.72 1480 1366 A 32 LEU H A 32 LEU HB2 1.0 . 4.19 1481 1367 A 32 LEU H A 102 THR HG2% 1.0 . 5.77 1482 1368 A 32 LEU H A 20 VAL HG1% 1.0 . 5.81 1483 1369 A 32 LEU HD1% A 32 LEU H 1.0 . 4.93 1484 1370 A 31 ASN HA A 32 LEU H 1.0 . 3.65 1485 1371 A 19 THR H A 32 LEU H 1.0 . 5.56 1486 1372 A 32 LEU H A 32 LEU HG 1.0 . 4.34 1487 1373 A 33 HIS HB3 A 32 LEU H 1.0 . 6.50 1488 1374 A 32 LEU H A 20 VAL HA 1.0 . 5.81 1489 1375 A 31 ASN HB2 A 32 LEU H 1.0 . 5.41 1490 1376 A 99 LYS H A 101 ALA H 1.0 . 5.61 1491 1377 A 101 ALA H A 102 THR H 1.0 . 3.98 1492 1378 A 100 LYS H A 101 ALA H 1.0 . 3.62 1493 1379 A 101 ALA H A 100 LYS HB3 1.0 . 3.70 1494 1380 A 101 ALA H A 100 LYS HG3 1.0 . 5.05 1495 1381 A 101 ALA H A 102 THR HA 1.0 . 5.05 1496 1382 A 98 LEU H A 101 ALA H 1.0 . 5.85 1497 1383 A 101 ALA H A 100 LYS HE2 1.0 . 6.50 1498 1383 A 101 ALA H A 100 LYS HE3 1.0 . 6.50 1499 1384 A 101 ALA H A 101 ALA HA 1.0 . 3.76 1500 1385 A 101 ALA H A 102 THR HG2% 1.0 . 3.99 1501 1386 A 101 ALA H A 20 VAL HG1% 1.0 . 6.50 1502 1387 A 99 LYS HB2 A 101 ALA H 1.0 . 5.24 1503 1388 A 101 ALA H A 100 LYS HB2 1.0 . 6.07 1504 1389 A 98 LEU HA A 101 ALA H 1.0 . 4.55 1505 1390 A 103 ASN H A 101 ALA H 1.0 . 5.19 1506 1391 A 101 ALA H A 100 LYS HA 1.0 . 4.47 1507 1392 A 101 ALA H A 101 ALA HB% 1.0 . 3.18 1508 1393 A 69 GLU HA A 85 ILE H 1.0 . 6.50 1509 1394 A 85 ILE H A 85 ILE HG12 1.0 . 4.07 1510 1395 A 85 ILE H A 83 VAL HG1% 1.0 . 6.24 1511 1395 A 83 VAL HG2% A 85 ILE H 1.0 . 6.24 1512 1396 A 82 PHE HE% A 85 ILE H 1.0 . 4.54 1513 1397 A 85 ILE H A 68 LEU HD1% 1.0 . 6.50 1514 1397 A 68 LEU HD2% A 85 ILE H 1.0 . 6.50 1515 1398 A 86 LYS HA A 85 ILE H 1.0 . 5.48 1516 1399 A 85 ILE HG2% A 85 ILE H 1.0 . 4.03 1517 1400 A 82 PHE HD% A 85 ILE H 1.0 . 6.01 1518 1401 A 70 ASN H A 85 ILE H 1.0 . 6.50 1519 1402 A 85 ILE H A 84 GLY HA2 1.0 . 3.70 1520 1403 A 85 ILE H A 85 ILE HG13 1.0 . 4.47 1521 1404 A 85 ILE H A 82 PHE HZ 1.0 . 6.01 1522 1405 A 85 ILE H A 84 GLY HA3 1.0 . 3.98 1523 1406 A 85 ILE HB A 85 ILE H 1.0 . 3.72 1524 1407 A 86 LYS H A 85 ILE H 1.0 . 5.97 1525 1408 A 85 ILE H A 91 ARG HD3 1.0 . 5.47 1526 1409 A 69 GLU H A 85 ILE H 1.0 . 6.50 1527 1410 A 85 ILE H A 85 ILE HD1% 1.0 . 4.49 1528 1411 A 42 GLN HG3 A 42 GLN HE22 1.0 . 4.35 1529 1412 A 42 GLN HA A 42 GLN HE22 1.0 . 6.50 1530 1413 A 42 GLN HE21 A 42 GLN HE22 1.0 . 2.60 1531 1414 A 42 GLN HG2 A 42 GLN HE22 1.0 . 4.77 1532 1415 A 42 GLN HB2 A 42 GLN HE22 1.0 . 4.61 1533 1416 A 42 GLN HB3 A 42 GLN HE22 1.0 . 6.50 1534 1417 A 78 THR H A 77 GLY H 1.0 . 4.62 1535 1418 A 77 GLY H A 75 ILE HG12 1.0 . 5.66 1536 1418 A 77 GLY H A 75 ILE HG13 1.0 . 5.66 1537 1419 A 77 GLY H A 76 PRO HA 1.0 . 4.69 1538 1420 A 77 GLY H A 76 PRO HB2 1.0 . 5.41 1539 1421 A 77 GLY H A 75 ILE HG2% 1.0 . 5.53 1540 1422 A 77 GLY H A 76 PRO HD3 1.0 . 6.50 1541 1423 A 77 GLY HA3 A 77 GLY H 1.0 . 4.39 1542 1424 A 77 GLY H A 76 PRO HB3 1.0 . 5.30 1543 1425 A 77 GLY H A 51 ALA HB% 1.0 . 5.97 1544 1426 A 77 GLY H A 77 GLY HA2 1.0 . 4.20 1545 1427 A 75 ILE HB A 77 GLY H 1.0 . 5.95 1546 1428 A 77 GLY H A 76 PRO HD2 1.0 . 6.50 1547 1429 A 2 ASP H A 5 LYS HE2 1.0 . 6.50 1548 1429 A 2 ASP H A 5 LYS HE3 1.0 . 6.50 1549 1430 A 80 MET HG2 A 81 ILE H 1.0 . 5.42 1550 1431 A 4 GLU H A 5 LYS HE2 1.0 . 6.50 1551 1431 A 5 LYS HE3 A 4 GLU H 1.0 . 6.50 1552 1432 A 7 LYS H A 8 LYS HE2 1.0 . 6.23 1553 1432 A 8 LYS HE3 A 7 LYS H 1.0 . 6.23 1554 1433 A 5 LYS H A 3 VAL HA 1.0 . 5.45 1555 1434 A 6 GLY HA2 A 5 LYS H 1.0 . 5.83 1556 1435 A 6 GLY H A 8 LYS HB2 1.0 . 5.73 1557 1435 A 8 LYS HB3 A 6 GLY H 1.0 . 5.73 1558 1436 A 6 GLY HA2 A 8 LYS H 1.0 . 6.50 1559 1437 A 8 LYS H A 9 ILE HG13 1.0 . 6.50 1560 1438 A 11 ILE HD1% A 9 ILE H 1.0 . 6.50 1561 1439 A 17 CYS HB2 A 15 SER H 1.0 . 6.13 1562 1440 A 94 LEU HA A 10 PHE H 1.0 . 5.81 1563 1441 A 11 ILE H A 8 LYS HD2 1.0 . 6.50 1564 1441 A 8 LYS HD3 A 11 ILE H 1.0 . 6.50 1565 1442 A 10 PHE HD1 A 11 ILE H 1.0 . 5.55 1566 1443 A 17 CYS H A 15 SER H 1.0 . 5.96 1567 1444 A 14 CYS H A 11 ILE H 1.0 . 6.50 1568 1445 A 17 CYS H A 18 HIS HD2 1.0 . 6.17 1569 1446 A 18 HIS H A 27 LYS HD2 1.0 . 5.97 1570 1447 A 17 CYS H A 14 CYS HA 1.0 . 5.94 1571 1448 A 31 ASN HD21 A 20 VAL H 1.0 . 6.50 1572 1449 A 31 ASN HD22 A 20 VAL H 1.0 . 6.37 1573 1450 A 18 HIS HA A 32 LEU H 1.0 . 6.18 1574 1451 A 29 GLY H A 27 LYS HE2 1.0 . 6.50 1575 1451 A 27 LYS HE3 A 29 GLY H 1.0 . 6.50 1576 1452 A 27 LYS H A 30 PRO HA 1.0 . 6.16 1577 1453 A 102 THR HG2% A 36 PHE H 1.0 . 6.23 1578 1454 A 42 GLN HE21 A 39 LYS HE2 1.0 . 6.50 1579 1454 A 42 GLN HE21 A 39 LYS HE3 1.0 . 6.50 1580 1455 A 42 GLN HG3 A 46 TYR H 1.0 . 6.50 1581 1456 A 59 TRP H A 38 ARG HB2 1.0 . 6.30 1582 1456 A 59 TRP H A 38 ARG HB3 1.0 . 6.30 1583 1457 A 36 PHE HE% A 60 GLY H 1.0 . 6.50 1584 1458 A 65 MET H A 59 TRP HE3 1.0 . 6.50 1585 1459 A 64 LEU H A 61 GLU H 1.0 . 6.50 1586 1460 A 65 MET H A 63 THR H 1.0 . 6.30 1587 1461 A 70 ASN HD22 A 73 LYS HG2 1.0 . 5.45 1588 1461 A 70 ASN HD22 A 73 LYS HG3 1.0 . 5.45 1589 1462 A 70 ASN HD22 A 73 LYS HB2 1.0 . 3.82 1590 1462 A 70 ASN HD22 A 73 LYS HB3 1.0 . 3.82 1591 1463 A 95 ILE HD1% A 66 GLU H 1.0 . 6.03 1592 1464 A 64 LEU HB3 A 66 GLU H 1.0 . 6.50 1593 1465 A 65 MET H A 66 GLU HB3 1.0 . 6.09 1594 1466 A 68 LEU H A 66 GLU HB3 1.0 . 6.24 1595 1467 A 68 LEU H A 66 GLU HG3 1.0 . 5.22 1596 1468 A 66 GLU H A 65 MET HG2 1.0 . 5.76 1597 1469 A 67 TYR HB2 A 69 GLU H 1.0 . 6.50 1598 1470 A 73 LYS H A 70 ASN HD21 1.0 . 5.80 1599 1471 A 99 LYS HA A 103 ASN HD22 1.0 . 5.37 1600 1472 A 101 ALA H A 103 ASN HB2 1.0 . 6.50 1601 1473 A 99 LYS HA A 101 ALA H 1.0 . 6.50 1602 1474 A 104 GLU H A 100 LYS HA 1.0 . 6.17 1603 1475 A 100 LYS HA A 103 ASN HD21 1.0 . 6.50 1604 1476 A 36 PHE HD% A 103 ASN HD21 1.0 . 6.50 1605 1477 A 101 ALA H A 104 GLU HG2 1.0 . 5.81 1606 1477 A 101 ALA H A 104 GLU HG3 1.0 . 5.81 1607 1478 A 99 LYS HG3 A 103 ASN HD21 1.0 . 6.50 1608 1479 A 99 LYS HG3 A 103 ASN HD22 1.0 . 5.99 1609 1480 A 85 ILE HG2% A 87 LYS H 1.0 . 3.65 1610 1481 A 101 ALA H A 3 VAL HG2% 1.0 . 5.00 1611 1482 A 101 ALA H A 99 LYS HB3 1.0 . 6.08 1612 1483 A 20 VAL HB A 102 THR H 1.0 . 5.76 1613 1484 A 98 LEU HB3 A 102 THR H 1.0 . 5.78 1614 1485 A 99 LYS H A 95 ILE HG2% 1.0 . 5.18 1615 1486 A 99 LYS H A 100 LYS HB3 1.0 . 5.45 1616 1487 A 99 LYS HG2 A 103 ASN HD21 1.0 . 6.27 1617 1488 A 99 LYS HG2 A 103 ASN HD22 1.0 . 6.17 1618 1489 A 99 LYS H A 97 TYR HB3 1.0 . 6.50 1619 1490 A 97 TYR HB3 A 100 LYS H 1.0 . 6.50 1620 1491 A 97 TYR HB3 A 101 ALA H 1.0 . 6.50 1621 1492 A 99 LYS H A 98 LEU HG 1.0 . 5.33 1622 1493 A 101 ALA H A 20 VAL HG2% 1.0 . 6.15 1623 1494 A 20 VAL HG2% A 102 THR H 1.0 . 6.26 1624 1495 A 36 PHE HD% A 103 ASN HD22 1.0 . 6.50 1625 1496 A 98 LEU H A 96 ALA HA 1.0 . 5.27 1626 1497 A 92 ALA H A 93 ASP HA 1.0 . 5.47 1627 1498 A 75 ILE H A 73 LYS HB2 1.0 . 5.78 1628 1498 A 75 ILE H A 73 LYS HB3 1.0 . 5.78 1629 1499 A 78 THR H A 51 ALA HB% 1.0 . 4.96 1630 1500 A 78 THR H A 75 ILE HG2% 1.0 . 4.48 1631 1501 A 32 LEU HB3 A 31 ASN HD22 1.0 . 5.83 1632 1502 A 27 LYS HB3 A 26 HIS H 1.0 . 6.50 1633 1503 A 96 ALA HB% A 4 GLU H 1.0 . 5.89 1634 1504 A 4 GLU HB3 A 6 GLY H 1.0 . 5.27 1635 1505 A 4 GLU HB3 A 7 LYS H 1.0 . 5.55 1636 1506 A 96 ALA H A 95 ILE HG13 1.0 . 4.93 1637 1507 A 74 TYR H A 70 ASN HD21 1.0 . 6.07 1638 1508 A 73 LYS HA A 70 ASN HD21 1.0 . 6.50 1639 1509 A 73 LYS HA A 70 ASN HD22 1.0 . 6.50 1640 1510 A 99 LYS H A 97 TYR HD1 1.0 . 6.06 1641 1511 A 100 LYS H A 97 TYR HA 1.0 . 4.79 1642 1512 A 98 LEU HB3 A 101 ALA H 1.0 . 6.13 1643 1513 A 10 PHE HB3 A 9 ILE H 1.0 . 6.02 1644 1514 A 97 TYR HD2 A 10 PHE H 1.0 . 5.94 1645 1515 A 12 MET H A 11 ILE H 1.0 . 4.12 1646 1516 A 5 LYS HA A 9 ILE H 1.0 . 5.92 1647 1517 A 9 ILE H A 8 LYS HD2 1.0 . 5.60 1648 1517 A 9 ILE H A 8 LYS HD3 1.0 . 5.60 1649 1518 A 17 CYS H A 18 HIS HB3 1.0 . 6.50 1650 1519 A 19 THR H A 18 HIS HD1 1.0 . 6.50 1651 1520 A 18 HIS H A 19 THR H 1.0 . 6.50 1652 1521 A 19 THR H A 30 PRO HB2 1.0 . 6.50 1653 1521 A 19 THR H A 30 PRO HB3 1.0 . 6.50 1654 1522 A 20 VAL H A 10 PHE HZ 1.0 . 6.50 1655 1523 A 24 GLY H A 33 HIS HB2 1.0 . 6.33 1656 1524 A 24 GLY H A 31 ASN HD21 1.0 . 4.78 1657 1525 A 24 GLY H A 31 ASN HD22 1.0 . 4.99 1658 1526 A 24 GLY H A 25 LYS H 1.0 . 5.31 1659 1527 A 24 GLY H A 22 LYS H 1.0 . 6.20 1660 1528 A 24 GLY H A 23 GLY H 1.0 . 5.06 1661 1529 A 25 LYS H A 31 ASN HB2 1.0 . 5.82 1662 1530 A 31 ASN HD22 A 25 LYS H 1.0 . 5.98 1663 1531 A 21 GLU HB3 A 31 ASN HD21 1.0 . 6.50 1664 1532 A 31 ASN HD22 A 20 VAL HB 1.0 . 5.86 1665 1533 A 32 LEU H A 30 PRO HG2 1.0 . 6.50 1666 1533 A 32 LEU H A 30 PRO HG3 1.0 . 6.50 1667 1534 A 24 GLY HA2 A 33 HIS H 1.0 . 5.90 1668 1535 A 36 PHE HD% A 34 GLY H 1.0 . 5.41 1669 1536 A 39 LYS HB3 A 42 GLN HE21 1.0 . 5.78 1670 1537 A 46 TYR HD% A 46 TYR H 1.0 . 6.03 1671 1538 A 46 TYR H A 45 GLY H 1.0 . 6.50 1672 1539 A 46 TYR H A 44 PRO HB2 1.0 . 5.65 1673 1540 A 50 ALA HA A 53 LYS H 1.0 . 5.28 1674 1541 A 52 ASN H A 53 LYS H 1.0 . 6.50 1675 1542 A 58 ILE H A 57 ILE HD1% 1.0 . 5.84 1676 1543 A 58 ILE H A 57 ILE HG2% 1.0 . 4.48 1677 1544 A 36 PHE HE% A 61 GLU H 1.0 . 5.10 1678 1545 A 95 ILE HG2% A 62 ASP H 1.0 . 6.44 1679 1546 A 63 THR H A 95 ILE HG12 1.0 . 6.27 1680 1547 A 64 LEU H A 65 MET HB2 1.0 . 5.94 1681 1548 A 67 TYR HB3 A 64 LEU H 1.0 . 6.50 1682 1549 A 65 MET H A 66 GLU HB2 1.0 . 6.04 1683 1550 A 67 TYR H A 66 GLU HB2 1.0 . 5.13 1684 1551 A 67 TYR H A 66 GLU HB3 1.0 . 5.09 1685 1552 A 63 THR HA A 67 TYR H 1.0 . 6.01 1686 1553 A 69 GLU H A 71 PRO HD3 1.0 . 5.00 1687 1554 A 73 LYS H A 70 ASN HD21 1.0 . 5.83 1688 1555 A 73 LYS H A 71 PRO HA 1.0 . 6.02 1689 1556 A 73 LYS H A 71 PRO HB2 1.0 . 6.50 1690 1557 A 73 LYS H A 71 PRO HG2 1.0 . 6.50 1691 1558 A 75 ILE H A 76 PRO HB3 1.0 . 4.93 1692 1559 A 75 ILE H A 71 PRO HA 1.0 . 5.57 1693 1560 A 77 GLY H A 72 LYS HB3 1.0 . 6.50 1694 1561 A 77 GLY H A 72 LYS HB2 1.0 . 6.50 1695 1562 A 103 ASN H A 102 THR H 1.0 . 3.80 1696 1563 A 100 LYS HA A 103 ASN HD22 1.0 . 5.74 1697 1564 A 36 PHE HD% A 102 THR H 1.0 . 6.32 1698 1565 A 101 ALA H A 97 TYR HB2 1.0 . 6.50 1699 1566 A 100 LYS H A 97 TYR HB2 1.0 . 6.50 1700 1567 A 100 LYS H A 103 ASN HB2 1.0 . 6.49 1701 1568 A 95 ILE HB A 93 ASP H 1.0 . 5.50 1702 1569 A 92 ALA H A 90 GLU HB2 1.0 . 4.81 1703 1570 A 90 GLU H A 90 GLU HA 1.0 . 4.06 1704 1571 A 15 SER HA A 17 CYS H 1.0 . 5.41 1705 1572 A 10 PHE H A 10 PHE HD2 1.0 . 5.64 1706 1573 A 11 ILE H A 10 PHE HD2 1.0 . 6.03 1707 1574 A 14 CYS H A 10 PHE HD2 1.0 . 6.50 1708 1575 A 15 SER H A 10 PHE HD2 1.0 . 6.50 1709 1576 A 36 PHE HE% A 35 LEU H 1.0 . 6.09 1710 1577 A 27 LYS H A 26 HIS HD1 1.0 . 6.50 1711 1578 A 59 TRP HE1 A 59 TRP HH2 1.0 . 6.50 1712 1579 A 75 ILE H A 74 TYR HE% 1.0 . 6.50 1713 1580 A 2 ASP H A 6 GLY H 1.0 . 6.50 1714 1581 A 91 ARG H A 89 GLU HB2 1.0 . 5.85 1715 1581 A 89 GLU HB3 A 91 ARG H 1.0 . 5.85 1716 1582 A 90 GLU H A 91 ARG HG3 1.0 . 6.37 1717 1583 A 90 GLU H A 89 GLU HG3 1.0 . 5.17 1718 1584 A 89 GLU H A 88 LYS HB2 1.0 . 4.00 1719 1585 A 85 ILE HB A 87 LYS H 1.0 . 6.18 1720 1586 A 73 LYS H A 70 ASN HA 1.0 . 5.21 1721 1587 A 81 ILE H A 80 MET HG3 1.0 . 4.99 1722 1588 A 81 ILE H A 80 MET HE% 1.0 . 6.50 1723 1589 A 81 ILE H A 80 MET HB3 1.0 . 5.71 1724 1590 A 82 PHE H A 80 MET HG3 1.0 . 5.91 1725 1591 A 82 PHE H A 80 MET HE% 1.0 . 5.45 1726 1592 A 22 LYS H A 33 HIS HE1 1.0 . 6.37 1727 1593 A 19 THR H A 31 ASN HD22 1.0 . 6.50 1728 1594 A 78 THR HG2% A 80 MET H 1.0 . 6.50 1729 1595 A 78 THR HG2% A 78 THR H 1.0 . 5.71 1730 1596 A 78 THR HG2% A 79 LYS HA 1.0 . 6.50 1731 1597 A 78 THR HG2% A 78 THR HB 1.0 . 5.79 1732 1598 A 78 THR HG2% A 72 LYS H 1.0 . 6.50 1733 1599 A 78 THR HG2% A 49 THR HG2% 1.0 . 6.50 1734 1600 A 78 THR HG2% A 78 THR HA 1.0 . 6.14 1735 1601 A 78 THR HG2% A 72 LYS HA 1.0 . 6.50 1736 1602 A 78 THR HG2% A 75 ILE HB 1.0 . 6.50 1737 1603 A 78 THR HG2% A 80 MET HB3 1.0 . 6.50 1738 1604 A 58 ILE HB A 58 ILE HG13 1.0 . 6.12 1739 1605 A 58 ILE HB A 58 ILE H 1.0 . 5.57 1740 1606 A 58 ILE HB A 57 ILE HA 1.0 . 6.50 1741 1607 A 58 ILE HB A 58 ILE HA 1.0 . 6.50 1742 1608 A 58 ILE HB A 63 THR HB 1.0 . 6.50 1743 1609 A 63 THR H A 62 ASP HB2 1.0 . 6.28 1744 1610 A 62 ASP H A 62 ASP HB2 1.0 . 6.50 1745 1611 A 59 TRP H A 35 LEU HD2% 1.0 . 6.50 1746 1612 A 35 LEU HD2% A 32 LEU HD2% 1.0 . 6.45 1747 1613 A 35 LEU HD2% A 38 ARG HD2 1.0 . 6.50 1748 1614 A 35 LEU HD2% A 35 LEU HA 1.0 . 5.37 1749 1615 A 35 LEU HD2% A 35 LEU H 1.0 . 6.50 1750 1616 A 35 LEU HD2% A 35 LEU HG 1.0 . 5.29 1751 1617 A 35 LEU HD2% A 35 LEU HB2 1.0 . 4.93 1752 1618 A 35 LEU HD2% A 59 TRP HD1 1.0 . 6.50 1753 1619 A 32 LEU HD1% A 35 LEU HD2% 1.0 . 6.50 1754 1620 A 35 LEU HD2% A 35 LEU HB3 1.0 . 6.44 1755 1621 A 35 LEU HD2% A 38 ARG HD3 1.0 . 6.50 1756 1622 A 35 LEU HD2% A 59 TRP HE1 1.0 . 6.50 1757 1623 A 35 LEU HD2% A 36 PHE H 1.0 . 6.50 1758 1624 A 4 GLU HG3 A 5 LYS H 1.0 . 6.50 1759 1625 A 4 GLU HG3 A 3 VAL HA 1.0 . 6.50 1760 1626 A 4 GLU HG3 A 4 GLU HA 1.0 . 6.50 1761 1627 A 4 GLU HG3 A 4 GLU H 1.0 . 6.50 1762 1628 A 97 TYR HA A 3 VAL HB 1.0 . 6.48 1763 1629 A 3 VAL HG2% A 3 VAL HB 1.0 . 4.70 1764 1630 A 3 VAL HB A 3 VAL HA 1.0 . 5.38 1765 1631 A 3 VAL H A 3 VAL HB 1.0 . 5.42 1766 1632 A 3 VAL HG1% A 3 VAL HB 1.0 . 4.78 1767 1633 A 97 TYR H A 3 VAL HB 1.0 . 6.50 1768 1634 A 3 VAL HB A 2 ASP HA 1.0 . 6.50 1769 1635 A 17 CYS HB3 A 17 CYS HA 1.0 . 6.50 1770 1636 A 17 CYS HB3 A 18 HIS H 1.0 . 6.50 1771 1637 A 17 CYS HB3 A 17 CYS HB2 1.0 . 4.75 1772 1638 A 17 CYS HB3 A 29 GLY H 1.0 . 6.50 1773 1639 A 17 CYS HB3 A 29 GLY HA2 1.0 . 6.50 1774 1640 A 17 CYS HB3 A 17 CYS H 1.0 . 6.40 1775 1641 A 17 CYS HB3 A 28 THR HG2% 1.0 . 6.50 1776 1642 A 17 CYS HB3 A 28 THR HB 1.0 . 6.50 1777 1643 A 71 PRO HG3 A 71 PRO HB3 1.0 . 6.08 1778 1644 A 71 PRO HB3 A 70 ASN HA 1.0 . 6.50 1779 1645 A 71 PRO HD2 A 71 PRO HB3 1.0 . 6.50 1780 1646 A 80 MET HG2 A 71 PRO HB3 1.0 . 6.50 1781 1647 A 72 LYS H A 71 PRO HB3 1.0 . 6.50 1782 1648 A 71 PRO HB3 A 80 MET HG3 1.0 . 6.50 1783 1649 A 71 PRO HA A 71 PRO HB3 1.0 . 5.75 1784 1650 A 71 PRO HB2 A 71 PRO HB3 1.0 . 4.84 1785 1651 A 71 PRO HB3 A 72 LYS HB3 1.0 . 6.50 1786 1652 A 71 PRO HB3 A 71 PRO HG2 1.0 . 6.01 1787 1653 A 72 LYS HA A 71 PRO HB3 1.0 . 6.50 1788 1654 A 71 PRO HB3 A 71 PRO HD3 1.0 . 6.50 1789 1655 A 71 PRO HB3 A 70 ASN HD21 1.0 . 6.50 1790 1656 A 20 VAL HG2% A 97 TYR HE2 1.0 . 6.50 1791 1657 A 19 THR HB A 20 VAL HG2% 1.0 . 6.50 1792 1658 A 20 VAL HG2% A 20 VAL HB 1.0 . 4.88 1793 1659 A 20 VAL H A 20 VAL HG2% 1.0 . 5.85 1794 1660 A 20 VAL HG2% A 21 GLU HG2 1.0 . 6.50 1795 1660 A 21 GLU HG3 A 20 VAL HG2% 1.0 . 6.50 1796 1661 A 21 GLU HB3 A 20 VAL HG2% 1.0 . 6.50 1797 1662 A 21 GLU HA A 20 VAL HG2% 1.0 . 6.50 1798 1663 A 20 VAL HG2% A 102 THR HG2% 1.0 . 5.77 1799 1664 A 20 VAL HG2% A 20 VAL HG1% 1.0 . 4.85 1800 1665 A 32 LEU HD1% A 20 VAL HG2% 1.0 . 6.50 1801 1666 A 19 THR H A 20 VAL HG2% 1.0 . 6.50 1802 1667 A 20 VAL HG2% A 19 THR HA 1.0 . 6.50 1803 1668 A 20 VAL HG2% A 20 VAL HA 1.0 . 6.01 1804 1669 A 21 GLU HB2 A 20 VAL HG2% 1.0 . 6.50 1805 1670 A 20 VAL HG2% A 10 PHE HE2 1.0 . 6.50 1806 1671 A 68 LEU HG A 68 LEU HA 1.0 . 6.50 1807 1672 A 68 LEU HG A 67 TYR HB2 1.0 . 6.50 1808 1673 A 68 LEU HG A 68 LEU HB2 1.0 . 5.23 1809 1674 A 68 LEU HG A 68 LEU HD1% 1.0 . 4.88 1810 1674 A 68 LEU HG A 68 LEU HD2% 1.0 . 4.88 1811 1675 A 68 LEU HG A 67 TYR HB3 1.0 . 6.50 1812 1676 A 68 LEU HG A 69 GLU H 1.0 . 6.50 1813 1677 A 80 MET H A 80 MET HB2 1.0 . 6.50 1814 1678 A 80 MET HB2 A 80 MET HG2 1.0 . 6.50 1815 1679 A 80 MET HB2 A 80 MET HG3 1.0 . 6.50 1816 1680 A 80 MET HB2 A 80 MET HB3 1.0 . 6.00 1817 1681 A 80 MET HB2 A 80 MET HA 1.0 . 6.50 1818 1682 A 41 GLY HA3 A 42 GLN HG3 1.0 . 6.50 1819 1683 A 42 GLN HG3 A 42 GLN HA 1.0 . 6.28 1820 1684 A 42 GLN HG3 A 42 GLN HE21 1.0 . 6.50 1821 1685 A 42 GLN HG3 A 42 GLN HB3 1.0 . 5.51 1822 1686 A 42 GLN H A 42 GLN HG3 1.0 . 6.50 1823 1687 A 42 GLN HG3 A 42 GLN HE22 1.0 . 6.50 1824 1688 A 17 CYS HB3 A 17 CYS HA 1.0 . 6.50 1825 1689 A 18 HIS H A 17 CYS HA 1.0 . 6.50 1826 1690 A 17 CYS HA A 17 CYS HB2 1.0 . 5.77 1827 1691 A 17 CYS HA A 29 GLY H 1.0 . 6.50 1828 1692 A 17 CYS HA A 29 GLY HA2 1.0 . 6.50 1829 1693 A 17 CYS HA A 17 CYS H 1.0 . 6.50 1830 1694 A 17 CYS HA A 16 GLN HB3 1.0 . 6.50 1831 1695 A 17 CYS HA A 18 HIS HB2 1.0 . 6.17 1832 1696 A 17 CYS HA A 29 GLY HA3 1.0 . 6.50 1833 1697 A 97 TYR HB3 A 98 LEU HB2 1.0 . 6.17 1834 1698 A 100 LYS H A 98 LEU HB2 1.0 . 6.45 1835 1699 A 98 LEU HB2 A 98 LEU HD2% 1.0 . 5.80 1836 1700 A 98 LEU HB2 A 98 LEU HA 1.0 . 6.50 1837 1701 A 90 GLU H A 87 LYS HB2 1.0 . 6.50 1838 1702 A 10 PHE HB2 A 97 TYR HE2 1.0 . 6.50 1839 1703 A 14 CYS HB2 A 10 PHE HB2 1.0 . 6.50 1840 1704 A 10 PHE HB2 A 7 LYS HA 1.0 . 6.50 1841 1705 A 10 PHE HB2 A 97 TYR HD2 1.0 . 6.50 1842 1706 A 14 CYS H A 10 PHE HB2 1.0 . 6.50 1843 1707 A 10 PHE HB2 A 10 PHE HA 1.0 . 6.50 1844 1708 A 10 PHE HB2 A 12 MET H 1.0 . 6.50 1845 1709 A 10 PHE HB2 A 10 PHE H 1.0 . 6.07 1846 1710 A 9 ILE HB A 10 PHE HB2 1.0 . 6.50 1847 1711 A 10 PHE HB2 A 10 PHE HD1 1.0 . 6.45 1848 1712 A 94 LEU HG A 10 PHE HB2 1.0 . 6.50 1849 1713 A 10 PHE HB2 A 11 ILE H 1.0 . 6.50 1850 1714 A 10 PHE HB2 A 14 CYS HB3 1.0 . 6.50 1851 1715 A 10 PHE HB2 A 10 PHE HD2 1.0 . 6.50 1852 1716 A 5 LYS HG2 A 5 LYS HA 1.0 . 6.50 1853 1717 A 5 LYS HG2 A 2 ASP HB3 1.0 . 6.50 1854 1718 A 5 LYS H A 5 LYS HG2 1.0 . 6.50 1855 1719 A 5 LYS HG2 A 4 GLU HA 1.0 . 6.50 1856 1720 A 5 LYS HG2 A 4 GLU H 1.0 . 6.50 1857 1721 A 5 LYS HG2 A 5 LYS HE2 1.0 . 5.94 1858 1721 A 5 LYS HG2 A 5 LYS HE3 1.0 . 5.94 1859 1722 A 2 ASP H A 5 LYS HG2 1.0 . 6.50 1860 1723 A 25 LYS HB2 A 25 LYS HA 1.0 . 6.26 1861 1724 A 25 LYS HB2 A 26 HIS H 1.0 . 6.50 1862 1725 A 25 LYS H A 25 LYS HB2 1.0 . 6.50 1863 1726 A 24 GLY HA3 A 25 LYS HB2 1.0 . 6.50 1864 1727 A 95 ILE HA A 96 ALA H 1.0 . 6.50 1865 1728 A 95 ILE HA A 95 ILE HG13 1.0 . 5.29 1866 1729 A 95 ILE HA A 99 LYS H 1.0 . 6.50 1867 1730 A 95 ILE HA A 95 ILE HB 1.0 . 6.12 1868 1731 A 95 ILE HA A 94 LEU HA 1.0 . 6.50 1869 1732 A 95 ILE HA A 95 ILE HG2% 1.0 . 5.36 1870 1733 A 95 ILE HA A 95 ILE HG12 1.0 . 5.90 1871 1734 A 95 ILE HA A 94 LEU HB3 1.0 . 6.50 1872 1735 A 95 ILE HA A 94 LEU HB2 1.0 . 6.05 1873 1736 A 95 ILE HA A 95 ILE HD1% 1.0 . 5.80 1874 1737 A 95 ILE HA A 95 ILE H 1.0 . 6.34 1875 1738 A 68 LEU HG A 68 LEU HA 1.0 . 5.81 1876 1739 A 68 LEU HA A 67 TYR HB2 1.0 . 6.50 1877 1740 A 68 LEU H A 68 LEU HA 1.0 . 6.24 1878 1741 A 68 LEU HA A 68 LEU HB2 1.0 . 6.02 1879 1742 A 68 LEU HA A 70 ASN HA 1.0 . 6.50 1880 1743 A 68 LEU HA A 82 PHE HE% 1.0 . 6.50 1881 1744 A 68 LEU HA A 68 LEU HD1% 1.0 . 4.87 1882 1744 A 68 LEU HA A 68 LEU HD2% 1.0 . 4.87 1883 1745 A 68 LEU HA A 67 TYR HA 1.0 . 6.50 1884 1746 A 68 LEU HA A 68 LEU HB3 1.0 . 6.13 1885 1747 A 68 LEU HA A 70 ASN H 1.0 . 6.50 1886 1748 A 68 LEU HA A 67 TYR HB3 1.0 . 6.50 1887 1749 A 68 LEU HA A 69 GLU H 1.0 . 6.50 1888 1750 A 95 ILE HA A 95 ILE HG13 1.0 . 6.19 1889 1751 A 95 ILE HB A 95 ILE HG13 1.0 . 5.40 1890 1752 A 95 ILE HG13 A 95 ILE HG12 1.0 . 4.96 1891 1753 A 95 ILE H A 95 ILE HG13 1.0 . 6.50 1892 1754 A 9 ILE HG12 A 9 ILE HD1% 1.0 . 4.98 1893 1755 A 9 ILE HD1% A 93 ASP H 1.0 . 6.20 1894 1756 A 89 GLU HG2 A 9 ILE HD1% 1.0 . 6.37 1895 1757 A 9 ILE HD1% A 10 PHE H 1.0 . 6.50 1896 1758 A 9 ILE HD1% A 8 LYS HB2 1.0 . 5.32 1897 1758 A 9 ILE HD1% A 8 LYS HB3 1.0 . 5.32 1898 1759 A 9 ILE HB A 9 ILE HD1% 1.0 . 5.76 1899 1760 A 6 GLY HA2 A 9 ILE HD1% 1.0 . 5.98 1900 1761 A 9 ILE HD1% A 8 LYS HA 1.0 . 6.50 1901 1762 A 9 ILE HD1% A 93 ASP HB2 1.0 . 5.84 1902 1762 A 93 ASP HB3 A 9 ILE HD1% 1.0 . 5.84 1903 1763 A 9 ILE HD1% A 89 GLU HG3 1.0 . 5.97 1904 1764 A 9 ILE HD1% A 9 ILE HA 1.0 . 6.30 1905 1765 A 9 ILE HD1% A 9 ILE H 1.0 . 6.41 1906 1766 A 54 ASN H A 50 ALA HA 1.0 . 6.50 1907 1767 A 52 ASN H A 50 ALA HA 1.0 . 6.50 1908 1768 A 50 ALA H A 50 ALA HA 1.0 . 6.50 1909 1769 A 50 ALA HA A 42 GLN HE21 1.0 . 6.50 1910 1770 A 50 ALA HA A 49 THR HA 1.0 . 6.50 1911 1771 A 50 ALA HB% A 50 ALA HA 1.0 . 5.23 1912 1772 A 53 LYS HB2 A 50 ALA HA 1.0 . 6.41 1913 1773 A 42 GLN H A 50 ALA HA 1.0 . 6.50 1914 1774 A 104 GLU HA A 104 GLU HG2 1.0 . 5.86 1915 1774 A 104 GLU HG3 A 104 GLU HA 1.0 . 5.86 1916 1775 A 104 GLU H A 104 GLU HG2 1.0 . 6.50 1917 1775 A 104 GLU H A 104 GLU HG3 1.0 . 6.50 1918 1776 A 74 TYR HB2 A 75 ILE HA 1.0 . 6.50 1919 1777 A 75 ILE HA A 75 ILE HG12 1.0 . 6.50 1920 1777 A 75 ILE HG13 A 75 ILE HA 1.0 . 6.50 1921 1778 A 75 ILE HG2% A 75 ILE HA 1.0 . 6.50 1922 1779 A 75 ILE HA A 76 PRO HD3 1.0 . 6.50 1923 1780 A 75 ILE HD1% A 75 ILE HA 1.0 . 6.38 1924 1781 A 75 ILE HB A 75 ILE HA 1.0 . 6.50 1925 1782 A 75 ILE H A 75 ILE HA 1.0 . 6.50 1926 1783 A 75 ILE HA A 76 PRO HD2 1.0 . 6.06 1927 1784 A 43 ALA H A 43 ALA HA 1.0 . 6.50 1928 1785 A 42 GLN HB2 A 43 ALA HA 1.0 . 6.50 1929 1786 A 43 ALA HB% A 43 ALA HA 1.0 . 5.20 1930 1787 A 42 GLN HB3 A 43 ALA HA 1.0 . 6.50 1931 1788 A 46 TYR H A 43 ALA HA 1.0 . 6.50 1932 1789 A 67 TYR H A 66 GLU HB2 1.0 . 6.50 1933 1790 A 66 GLU H A 66 GLU HB2 1.0 . 6.50 1934 1791 A 66 GLU HA A 66 GLU HB2 1.0 . 6.50 1935 1792 A 63 THR H A 61 GLU HB2 1.0 . 6.50 1936 1792 A 63 THR H A 61 GLU HB3 1.0 . 6.50 1937 1793 A 60 GLY HA3 A 61 GLU HB2 1.0 . 6.50 1938 1793 A 60 GLY HA3 A 61 GLU HB3 1.0 . 6.50 1939 1794 A 62 ASP H A 61 GLU HB2 1.0 . 6.08 1940 1794 A 62 ASP H A 61 GLU HB3 1.0 . 6.08 1941 1795 A 95 ILE HG2% A 61 GLU HB2 1.0 . 5.72 1942 1795 A 95 ILE HG2% A 61 GLU HB3 1.0 . 5.72 1943 1796 A 61 GLU HA A 61 GLU HB2 1.0 . 5.64 1944 1796 A 61 GLU HA A 61 GLU HB3 1.0 . 5.64 1945 1797 A 60 GLY HA2 A 61 GLU HB2 1.0 . 6.01 1946 1797 A 61 GLU HB3 A 60 GLY HA2 1.0 . 6.01 1947 1798 A 61 GLU H A 61 GLU HB2 1.0 . 5.91 1948 1798 A 61 GLU HB3 A 61 GLU H 1.0 . 5.91 1949 1799 A 95 ILE HD1% A 61 GLU HB2 1.0 . 6.50 1950 1799 A 95 ILE HD1% A 61 GLU HB3 1.0 . 6.50 1951 1800 A 36 PHE HE% A 61 GLU HB2 1.0 . 6.50 1952 1800 A 36 PHE HE% A 61 GLU HB3 1.0 . 6.50 1953 1801 A 32 LEU HB3 A 32 LEU HA 1.0 . 6.19 1954 1802 A 32 LEU HB3 A 32 LEU HD2% 1.0 . 5.81 1955 1803 A 32 LEU HB3 A 32 LEU HB2 1.0 . 4.67 1956 1804 A 32 LEU HD1% A 32 LEU HB3 1.0 . 5.40 1957 1805 A 32 LEU HB3 A 31 ASN HA 1.0 . 6.50 1958 1806 A 32 LEU HB3 A 32 LEU HG 1.0 . 5.79 1959 1807 A 32 LEU HB3 A 32 LEU H 1.0 . 6.42 1960 1808 A 45 GLY HA3 A 45 GLY HA2 1.0 . 5.22 1961 1809 A 45 GLY HA3 A 46 TYR H 1.0 . 6.50 1962 1810 A 71 PRO HA A 72 LYS HE2 1.0 . 6.50 1963 1810 A 72 LYS HE3 A 71 PRO HA 1.0 . 6.50 1964 1811 A 40 THR HA A 41 GLY H 1.0 . 6.04 1965 1812 A 40 THR HA A 39 LYS HA 1.0 . 6.50 1966 1813 A 59 TRP HD1 A 40 THR HA 1.0 . 6.50 1967 1814 A 40 THR HA A 40 THR HG2% 1.0 . 5.51 1968 1815 A 40 THR HA A 40 THR H 1.0 . 6.50 1969 1816 A 59 TRP HE1 A 40 THR HA 1.0 . 6.47 1970 1817 A 40 THR HA A 40 THR HB 1.0 . 5.84 1971 1818 A 14 CYS H A 13 LYS HB3 1.0 . 6.50 1972 1819 A 13 LYS HB3 A 13 LYS HD2 1.0 . 5.63 1973 1819 A 13 LYS HB3 A 13 LYS HD3 1.0 . 5.63 1974 1820 A 13 LYS HB3 A 9 ILE HG2% 1.0 . 6.50 1975 1821 A 13 LYS HB3 A 13 LYS HA 1.0 . 6.47 1976 1822 A 13 LYS HB3 A 13 LYS H 1.0 . 6.50 1977 1823 A 13 LYS HB3 A 82 PHE HZ 1.0 . 6.50 1978 1824 A 36 PHE HB2 A 103 ASN HD21 1.0 . 6.50 1979 1825 A 36 PHE HD% A 36 PHE HB2 1.0 . 5.67 1980 1826 A 36 PHE HB2 A 35 LEU HG 1.0 . 6.50 1981 1827 A 36 PHE HB2 A 103 ASN HD22 1.0 . 6.50 1982 1828 A 36 PHE HB2 A 35 LEU HB2 1.0 . 6.50 1983 1829 A 36 PHE HB2 A 35 LEU HB3 1.0 . 6.50 1984 1830 A 36 PHE HB2 A 36 PHE H 1.0 . 5.55 1985 1831 A 36 PHE HE% A 36 PHE HB2 1.0 . 6.50 1986 1832 A 36 PHE HB2 A 36 PHE HA 1.0 . 6.10 1987 1833 A 24 GLY HA3 A 25 LYS HE2 1.0 . 6.49 1988 1833 A 24 GLY HA3 A 25 LYS HE3 1.0 . 6.49 1989 1834 A 74 TYR HB2 A 75 ILE HA 1.0 . 6.50 1990 1835 A 74 TYR HB2 A 74 TYR HE% 1.0 . 6.50 1991 1836 A 74 TYR HB2 A 75 ILE HG12 1.0 . 6.50 1992 1836 A 74 TYR HB2 A 75 ILE HG13 1.0 . 6.50 1993 1837 A 73 LYS H A 74 TYR HB2 1.0 . 6.50 1994 1838 A 74 TYR HB2 A 74 TYR H 1.0 . 6.26 1995 1839 A 67 TYR HA A 74 TYR HB2 1.0 . 6.30 1996 1840 A 74 TYR HB2 A 74 TYR HD% 1.0 . 5.98 1997 1841 A 74 TYR HB2 A 75 ILE HD1% 1.0 . 6.50 1998 1842 A 74 TYR HB2 A 74 TYR HA 1.0 . 6.50 1999 1843 A 74 TYR HB2 A 75 ILE H 1.0 . 6.50 2000 1844 A 74 TYR HB2 A 73 LYS HB2 1.0 . 6.50 2001 1844 A 74 TYR HB2 A 73 LYS HB3 1.0 . 6.50 2002 1845 A 65 MET H A 62 ASP HA 1.0 . 6.50 2003 1846 A 62 ASP H A 62 ASP HA 1.0 . 6.46 2004 1847 A 62 ASP HA A 61 GLU HG2 1.0 . 6.50 2005 1848 A 62 ASP HA A 61 GLU HA 1.0 . 6.50 2006 1849 A 62 ASP HA A 61 GLU HG3 1.0 . 6.50 2007 1850 A 68 LEU HB2 A 69 GLU HG3 1.0 . 6.50 2008 1851 A 70 ASN HA A 69 GLU HG3 1.0 . 6.50 2009 1852 A 69 GLU HG3 A 69 GLU HB3 1.0 . 6.50 2010 1853 A 70 ASN H A 69 GLU HG3 1.0 . 6.50 2011 1854 A 69 GLU H A 69 GLU HG3 1.0 . 6.50 2012 1855 A 81 ILE HA A 81 ILE HB 1.0 . 6.50 2013 1856 A 81 ILE HA A 82 PHE HA 1.0 . 6.50 2014 1857 A 81 ILE HA A 81 ILE HG2% 1.0 . 6.01 2015 1858 A 81 ILE HA A 82 PHE HB3 1.0 . 6.50 2016 1859 A 81 ILE HA A 81 ILE HG13 1.0 . 6.18 2017 1860 A 81 ILE HA A 81 ILE HD1% 1.0 . 6.21 2018 1861 A 81 ILE HA A 80 MET HA 1.0 . 6.50 2019 1862 A 81 ILE HA A 81 ILE HG12 1.0 . 6.47 2020 1863 A 67 TYR HB2 A 59 TRP HE3 1.0 . 6.50 2021 1864 A 67 TYR HB2 A 64 LEU HA 1.0 . 6.50 2022 1865 A 67 TYR HB2 A 67 TYR HE% 1.0 . 5.80 2023 1866 A 67 TYR HB2 A 68 LEU HB2 1.0 . 6.50 2024 1867 A 67 TYR HB2 A 67 TYR HA 1.0 . 6.33 2025 1868 A 67 TYR HB2 A 64 LEU HD1% 1.0 . 6.50 2026 1868 A 67 TYR HB2 A 64 LEU HD2% 1.0 . 6.50 2027 1869 A 67 TYR HB2 A 67 TYR H 1.0 . 5.70 2028 1870 A 67 TYR HB2 A 74 TYR HD% 1.0 . 6.50 2029 1871 A 67 TYR HB2 A 66 GLU H 1.0 . 6.50 2030 1872 A 88 LYS HA A 89 GLU H 1.0 . 6.50 2031 1873 A 88 LYS HA A 87 LYS HA 1.0 . 6.50 2032 1874 A 88 LYS HA A 88 LYS HE2 1.0 . 6.50 2033 1874 A 88 LYS HA A 88 LYS HE3 1.0 . 6.50 2034 1875 A 88 LYS HA A 88 LYS HB3 1.0 . 5.69 2035 1876 A 88 LYS HA A 90 GLU H 1.0 . 6.50 2036 1877 A 88 LYS HA A 88 LYS HD2 1.0 . 6.50 2037 1877 A 88 LYS HA A 88 LYS HD3 1.0 . 6.50 2038 1878 A 88 LYS HA A 88 LYS HG2 1.0 . 5.55 2039 1878 A 88 LYS HA A 88 LYS HG3 1.0 . 5.55 2040 1879 A 88 LYS HA A 92 ALA H 1.0 . 6.50 2041 1880 A 88 LYS HA A 91 ARG H 1.0 . 6.50 2042 1881 A 88 LYS HA A 88 LYS HB2 1.0 . 5.50 2043 1882 A 88 LYS HA A 88 LYS H 1.0 . 6.50 2044 1883 A 87 LYS HA A 87 LYS HD2 1.0 . 6.50 2045 1883 A 87 LYS HA A 87 LYS HD3 1.0 . 6.50 2046 1884 A 87 LYS H A 87 LYS HD2 1.0 . 6.50 2047 1884 A 87 LYS H A 87 LYS HD3 1.0 . 6.50 2048 1885 A 87 LYS HD2 A 87 LYS HE2 1.0 . 4.89 2049 1885 A 87 LYS HD3 A 87 LYS HE2 1.0 . 4.89 2050 1885 A 87 LYS HE3 A 87 LYS HD2 1.0 . 4.89 2051 1885 A 87 LYS HE3 A 87 LYS HD3 1.0 . 4.89 2052 1886 A 86 LYS HA A 87 LYS HD2 1.0 . 5.89 2053 1886 A 87 LYS HD3 A 86 LYS HA 1.0 . 5.89 2054 1887 A 1 GLY HA3 A 2 ASP HB3 1.0 . 6.50 2055 1888 A 96 ALA HB% A 1 GLY HA3 1.0 . 5.72 2056 1889 A 1 GLY HA3 A 1 GLY HA2 1.0 . 4.32 2057 1890 A 1 GLY HA3 A 2 ASP HB2 1.0 . 6.50 2058 1891 A 93 ASP HA A 1 GLY HA3 1.0 . 6.39 2059 1892 A 1 GLY HA3 A 2 ASP HA 1.0 . 6.40 2060 1893 A 1 GLY HA3 A 2 ASP H 1.0 . 6.14 2061 1894 A 76 PRO HA A 76 PRO HG2 1.0 . 6.50 2062 1895 A 76 PRO HB2 A 76 PRO HG2 1.0 . 5.95 2063 1896 A 76 PRO HD3 A 76 PRO HG2 1.0 . 6.50 2064 1897 A 76 PRO HB3 A 76 PRO HG2 1.0 . 5.00 2065 1898 A 76 PRO HD2 A 76 PRO HG2 1.0 . 6.50 2066 1899 A 98 LEU HB2 A 99 LYS HD2 1.0 . 6.50 2067 1900 A 99 LYS HD2 A 99 LYS HA 1.0 . 6.50 2068 1901 A 99 LYS HD2 A 99 LYS HE2 1.0 . 5.97 2069 1901 A 99 LYS HD2 A 99 LYS HE3 1.0 . 5.97 2070 1902 A 99 LYS HD2 A 99 LYS HG2 1.0 . 5.07 2071 1903 A 99 LYS HD2 A 36 PHE HE% 1.0 . 6.50 2072 1904 A 99 LYS HD2 A 99 LYS HG3 1.0 . 6.08 2073 1905 A 54 ASN HA A 55 LYS HB2 1.0 . 6.50 2074 1906 A 55 LYS H A 55 LYS HB2 1.0 . 6.50 2075 1907 A 16 GLN HG2 A 16 GLN HE21 1.0 . 6.50 2076 1908 A 16 GLN HG2 A 16 GLN H 1.0 . 6.50 2077 1909 A 16 GLN HG2 A 17 CYS H 1.0 . 6.50 2078 1910 A 16 GLN HG2 A 16 GLN HB3 1.0 . 6.14 2079 1911 A 16 GLN HG2 A 16 GLN HE22 1.0 . 6.50 2080 1912 A 16 GLN HG2 A 16 GLN HB2 1.0 . 5.78 2081 1913 A 16 GLN HG2 A 16 GLN HA 1.0 . 6.43 2082 1914 A 69 GLU HA A 91 ARG HD3 1.0 . 6.50 2083 1915 A 69 GLU H A 69 GLU HA 1.0 . 6.50 2084 1916 A 69 GLU HA A 85 ILE H 1.0 . 6.50 2085 1917 A 87 LYS HA A 87 LYS HB2 1.0 . 5.66 2086 1918 A 89 GLU H A 87 LYS HA 1.0 . 6.50 2087 1919 A 87 LYS HA A 86 LYS HB2 1.0 . 5.73 2088 1919 A 87 LYS HA A 86 LYS HB3 1.0 . 5.73 2089 1920 A 87 LYS HA A 87 LYS HG2 1.0 . 6.08 2090 1921 A 87 LYS HA A 86 LYS HA 1.0 . 6.50 2091 1922 A 87 LYS HA A 85 ILE HG2% 1.0 . 6.50 2092 1923 A 87 LYS HA A 87 LYS HG3 1.0 . 5.84 2093 1924 A 87 LYS HA A 88 LYS H 1.0 . 5.90 2094 1925 A 64 LEU HA A 59 TRP HE3 1.0 . 6.50 2095 1926 A 67 TYR HB2 A 64 LEU HA 1.0 . 6.50 2096 1927 A 64 LEU HA A 67 TYR HA 1.0 . 6.50 2097 1928 A 64 LEU HA A 59 TRP HZ3 1.0 . 6.50 2098 1929 A 64 LEU HA A 64 LEU HD1% 1.0 . 4.88 2099 1929 A 64 LEU HA A 64 LEU HD2% 1.0 . 4.88 2100 1930 A 64 LEU HA A 60 GLY H 1.0 . 6.50 2101 1931 A 64 LEU HA A 64 LEU HB3 1.0 . 5.28 2102 1932 A 64 LEU HA A 67 TYR HB3 1.0 . 5.38 2103 1933 A 64 LEU HA A 64 LEU HG 1.0 . 6.50 2104 1934 A 79 LYS HB2 A 79 LYS HA 1.0 . 6.37 2105 1935 A 80 MET H A 79 LYS HA 1.0 . 6.50 2106 1936 A 79 LYS HA A 79 LYS HD2 1.0 . 6.50 2107 1937 A 79 LYS HA A 79 LYS HB3 1.0 . 6.45 2108 1938 A 79 LYS HA A 79 LYS HG3 1.0 . 6.50 2109 1939 A 79 LYS HD2 A 79 LYS HE2 1.0 . 6.50 2110 1940 A 79 LYS HG3 A 79 LYS HE2 1.0 . 6.50 2111 1941 A 79 LYS HG2 A 79 LYS HE2 1.0 . 6.50 2112 1942 A 82 PHE HE% A 85 ILE HG12 1.0 . 6.50 2113 1943 A 85 ILE HG12 A 84 GLY HA2 1.0 . 6.50 2114 1944 A 85 ILE HG12 A 82 PHE HZ 1.0 . 6.21 2115 1945 A 85 ILE HG12 A 84 GLY HA3 1.0 . 6.50 2116 1946 A 85 ILE H A 85 ILE HG12 1.0 . 6.50 2117 1947 A 85 ILE HA A 85 ILE HG12 1.0 . 6.50 2118 1948 A 90 GLU HG2 A 87 LYS HD2 1.0 . 6.50 2119 1948 A 87 LYS HD3 A 90 GLU HG2 1.0 . 6.50 2120 1949 A 90 GLU HG2 A 90 GLU HA 1.0 . 6.50 2121 1950 A 90 GLU H A 90 GLU HG2 1.0 . 6.50 2122 1951 A 27 LYS H A 28 THR HA 1.0 . 6.50 2123 1952 A 28 THR HG2% A 28 THR HA 1.0 . 5.45 2124 1953 A 50 ALA H A 49 THR HB 1.0 . 6.50 2125 1954 A 49 THR HA A 49 THR HB 1.0 . 6.16 2126 1955 A 49 THR HG2% A 49 THR HB 1.0 . 6.50 2127 1956 A 75 ILE HA A 75 ILE HG12 1.0 . 6.50 2128 1956 A 75 ILE HG13 A 75 ILE HA 1.0 . 6.50 2129 1957 A 74 TYR HB2 A 75 ILE HG12 1.0 . 6.50 2130 1957 A 74 TYR HB2 A 75 ILE HG13 1.0 . 6.50 2131 1958 A 74 TYR HB3 A 75 ILE HG12 1.0 . 6.50 2132 1958 A 74 TYR HB3 A 75 ILE HG13 1.0 . 6.50 2133 1959 A 74 TYR HD% A 75 ILE HG12 1.0 . 6.50 2134 1959 A 75 ILE HG13 A 74 TYR HD% 1.0 . 6.50 2135 1960 A 75 ILE HB A 75 ILE HG12 1.0 . 6.50 2136 1960 A 75 ILE HB A 75 ILE HG13 1.0 . 6.50 2137 1961 A 74 TYR HA A 75 ILE HG12 1.0 . 6.50 2138 1961 A 74 TYR HA A 75 ILE HG13 1.0 . 6.50 2139 1962 A 75 ILE H A 75 ILE HG12 1.0 . 6.50 2140 1962 A 75 ILE H A 75 ILE HG13 1.0 . 6.50 2141 1963 A 34 GLY H A 34 GLY HA3 1.0 . 5.86 2142 1964 A 34 GLY HA3 A 33 HIS H 1.0 . 6.50 2143 1965 A 34 GLY HA3 A 35 LEU H 1.0 . 6.50 2144 1966 A 34 GLY HA3 A 35 LEU HB2 1.0 . 6.50 2145 1967 A 34 GLY HA3 A 35 LEU HB3 1.0 . 6.50 2146 1968 A 34 GLY HA3 A 102 THR HB 1.0 . 6.50 2147 1969 A 5 LYS H A 4 GLU HB3 1.0 . 6.49 2148 1970 A 4 GLU HB3 A 4 GLU HA 1.0 . 5.64 2149 1971 A 4 GLU HB3 A 4 GLU H 1.0 . 5.93 2150 1972 A 19 THR HB A 20 VAL HG1% 1.0 . 6.50 2151 1973 A 19 THR HB A 31 ASN HD22 1.0 . 6.50 2152 1974 A 19 THR H A 19 THR HB 1.0 . 5.69 2153 1975 A 19 THR HB A 19 THR HG2% 1.0 . 5.47 2154 1976 A 19 THR HB A 25 LYS H 1.0 . 6.50 2155 1977 A 18 HIS HB2 A 19 THR HB 1.0 . 6.46 2156 1978 A 59 TRP HE3 A 59 TRP HB3 1.0 . 6.50 2157 1979 A 58 ILE HD1% A 59 TRP HB3 1.0 . 6.07 2158 1980 A 59 TRP H A 59 TRP HB3 1.0 . 6.50 2159 1981 A 59 TRP HB3 A 37 GLY H 1.0 . 6.50 2160 1982 A 59 TRP HB3 A 35 LEU HD1% 1.0 . 6.50 2161 1983 A 59 TRP HB3 A 35 LEU HG 1.0 . 6.36 2162 1984 A 59 TRP HB3 A 35 LEU HB2 1.0 . 6.50 2163 1985 A 59 TRP HB3 A 58 ILE HA 1.0 . 6.50 2164 1986 A 59 TRP HB3 A 59 TRP HD1 1.0 . 6.50 2165 1987 A 59 TRP HB3 A 60 GLY H 1.0 . 6.50 2166 1988 A 59 TRP HB3 A 59 TRP HA 1.0 . 6.50 2167 1989 A 59 TRP HB3 A 59 TRP HB2 1.0 . 4.66 2168 1990 A 64 LEU HG A 59 TRP HB3 1.0 . 6.50 2169 1991 A 71 PRO HG3 A 71 PRO HB3 1.0 . 5.92 2170 1992 A 82 PHE H A 71 PRO HG3 1.0 . 6.50 2171 1993 A 71 PRO HG3 A 70 ASN HA 1.0 . 6.50 2172 1994 A 71 PRO HD2 A 71 PRO HG3 1.0 . 5.75 2173 1995 A 71 PRO HG3 A 82 PHE HE% 1.0 . 6.50 2174 1996 A 71 PRO HG3 A 80 MET HG2 1.0 . 6.50 2175 1997 A 71 PRO HG3 A 82 PHE HA 1.0 . 6.50 2176 1998 A 72 LYS H A 71 PRO HG3 1.0 . 6.50 2177 1999 A 71 PRO HG3 A 80 MET HG3 1.0 . 6.16 2178 2000 A 71 PRO HG3 A 82 PHE HB3 1.0 . 6.50 2179 2001 A 71 PRO HG3 A 71 PRO HA 1.0 . 6.50 2180 2002 A 71 PRO HB2 A 71 PRO HG3 1.0 . 6.50 2181 2003 A 70 ASN H A 71 PRO HG3 1.0 . 6.50 2182 2004 A 71 PRO HG3 A 71 PRO HG2 1.0 . 5.06 2183 2005 A 71 PRO HG3 A 82 PHE HB2 1.0 . 6.50 2184 2006 A 71 PRO HG3 A 84 GLY HA3 1.0 . 6.50 2185 2007 A 71 PRO HG3 A 71 PRO HD3 1.0 . 6.19 2186 2008 A 73 LYS HA A 73 LYS HD2 1.0 . 6.50 2187 2008 A 73 LYS HD3 A 73 LYS HA 1.0 . 6.50 2188 2009 A 72 LYS HA A 73 LYS HD2 1.0 . 6.50 2189 2009 A 73 LYS HD3 A 72 LYS HA 1.0 . 6.50 2190 2010 A 20 VAL HG2% A 20 VAL HB 1.0 . 4.88 2191 2011 A 20 VAL H A 20 VAL HB 1.0 . 6.50 2192 2012 A 21 GLU HA A 20 VAL HB 1.0 . 6.50 2193 2013 A 20 VAL HB A 102 THR HG2% 1.0 . 5.36 2194 2014 A 20 VAL HB A 20 VAL HG1% 1.0 . 5.13 2195 2015 A 20 VAL HB A 20 VAL HA 1.0 . 5.29 2196 2016 A 64 LEU H A 63 THR HG2% 1.0 . 6.50 2197 2017 A 63 THR HG2% A 63 THR H 1.0 . 5.57 2198 2018 A 63 THR HG2% A 62 ASP H 1.0 . 6.50 2199 2019 A 63 THR HG2% A 59 TRP HZ3 1.0 . 6.50 2200 2020 A 60 GLY H A 63 THR HG2% 1.0 . 6.50 2201 2021 A 63 THR HG2% A 63 THR HA 1.0 . 5.02 2202 2022 A 63 THR HG2% A 63 THR HB 1.0 . 5.74 2203 2023 A 14 CYS HB2 A 14 CYS H 1.0 . 6.50 2204 2024 A 14 CYS HB2 A 10 PHE HA 1.0 . 6.50 2205 2025 A 14 CYS HB2 A 18 HIS HD2 1.0 . 6.50 2206 2026 A 14 CYS HB2 A 32 LEU HD1% 1.0 . 6.50 2207 2027 A 14 CYS HB2 A 9 ILE HA 1.0 . 6.50 2208 2028 A 14 CYS HB2 A 10 PHE HD2 1.0 . 6.50 2209 2029 A 12 MET HG3 A 12 MET HB2 1.0 . 5.52 2210 2030 A 14 CYS H A 12 MET HG3 1.0 . 6.50 2211 2031 A 12 MET HG3 A 12 MET H 1.0 . 6.50 2212 2032 A 12 MET HG3 A 12 MET HA 1.0 . 6.40 2213 2033 A 12 MET HG3 A 13 LYS H 1.0 . 6.50 2214 2034 A 12 MET HG3 A 12 MET HB3 1.0 . 5.36 2215 2035 A 58 ILE HD1% A 37 GLY HA2 1.0 . 5.63 2216 2036 A 58 ILE HG13 A 37 GLY HA2 1.0 . 6.50 2217 2037 A 36 PHE HB3 A 37 GLY HA2 1.0 . 6.50 2218 2038 A 37 GLY H A 37 GLY HA2 1.0 . 6.21 2219 2039 A 38 ARG H A 37 GLY HA2 1.0 . 6.50 2220 2040 A 32 LEU HB3 A 32 LEU HA 1.0 . 5.83 2221 2041 A 32 LEU HA A 32 LEU HD2% 1.0 . 5.28 2222 2042 A 32 LEU HA A 32 LEU HB2 1.0 . 5.56 2223 2043 A 32 LEU HD1% A 32 LEU HA 1.0 . 5.83 2224 2044 A 31 ASN HA A 32 LEU HA 1.0 . 6.50 2225 2045 A 32 LEU HA A 32 LEU HG 1.0 . 6.48 2226 2046 A 32 LEU H A 32 LEU HA 1.0 . 6.50 2227 2047 A 35 LEU HD2% A 32 LEU HD2% 1.0 . 6.18 2228 2048 A 32 LEU HA A 32 LEU HD2% 1.0 . 5.44 2229 2049 A 32 LEU HD2% A 32 LEU HB2 1.0 . 6.50 2230 2050 A 35 LEU HA A 32 LEU HD2% 1.0 . 6.50 2231 2051 A 35 LEU HD1% A 32 LEU HD2% 1.0 . 6.19 2232 2052 A 35 LEU HB2 A 32 LEU HD2% 1.0 . 6.50 2233 2053 A 32 LEU HD2% A 64 LEU HD1% 1.0 . 6.50 2234 2053 A 64 LEU HD2% A 32 LEU HD2% 1.0 . 6.50 2235 2054 A 18 HIS HB3 A 32 LEU HD2% 1.0 . 6.50 2236 2055 A 18 HIS HA A 32 LEU HD2% 1.0 . 6.50 2237 2056 A 35 LEU HB3 A 32 LEU HD2% 1.0 . 6.50 2238 2057 A 31 ASN HA A 32 LEU HD2% 1.0 . 6.50 2239 2058 A 32 LEU HD2% A 32 LEU HG 1.0 . 5.26 2240 2059 A 32 LEU H A 32 LEU HD2% 1.0 . 6.50 2241 2060 A 76 PRO HA A 76 PRO HG2 1.0 . 6.50 2242 2061 A 76 PRO HA A 76 PRO HB2 1.0 . 5.73 2243 2062 A 76 PRO HD3 A 76 PRO HA 1.0 . 6.50 2244 2063 A 76 PRO HA A 76 PRO HG3 1.0 . 6.50 2245 2064 A 76 PRO HA A 76 PRO HB3 1.0 . 6.46 2246 2065 A 72 LYS HA A 76 PRO HA 1.0 . 6.50 2247 2066 A 76 PRO HD2 A 76 PRO HA 1.0 . 6.50 2248 2067 A 77 GLY H A 76 PRO HA 1.0 . 6.25 2249 2068 A 97 TYR HE2 A 7 LYS HA 1.0 . 6.50 2250 2069 A 10 PHE HB2 A 7 LYS HA 1.0 . 6.16 2251 2070 A 7 LYS HA A 7 LYS HG2 1.0 . 6.47 2252 2070 A 7 LYS HA A 7 LYS HG3 1.0 . 6.47 2253 2071 A 97 TYR HD2 A 7 LYS HA 1.0 . 6.50 2254 2072 A 7 LYS HA A 7 LYS HB3 1.0 . 5.55 2255 2073 A 10 PHE HB3 A 7 LYS HA 1.0 . 6.50 2256 2074 A 10 PHE H A 7 LYS HA 1.0 . 6.50 2257 2075 A 7 LYS HA A 6 GLY HA3 1.0 . 6.50 2258 2076 A 97 TYR HD1 A 7 LYS HA 1.0 . 6.50 2259 2077 A 11 ILE HD1% A 7 LYS HA 1.0 . 5.61 2260 2078 A 6 GLY HA2 A 7 LYS HA 1.0 . 6.50 2261 2079 A 7 LYS HA A 7 LYS HD2 1.0 . 5.99 2262 2079 A 7 LYS HA A 7 LYS HD3 1.0 . 5.99 2263 2080 A 7 LYS HA A 7 LYS H 1.0 . 6.00 2264 2081 A 7 LYS HA A 7 LYS HB2 1.0 . 5.68 2265 2082 A 6 GLY H A 7 LYS HA 1.0 . 6.50 2266 2083 A 7 LYS HA A 9 ILE H 1.0 . 6.50 2267 2084 A 39 LYS HA A 39 LYS HD2 1.0 . 6.50 2268 2084 A 39 LYS HD3 A 39 LYS HA 1.0 . 6.50 2269 2085 A 27 LYS H A 27 LYS HG2 1.0 . 6.50 2270 2085 A 27 LYS H A 27 LYS HG3 1.0 . 6.50 2271 2086 A 26 HIS HA A 27 LYS HG2 1.0 . 6.50 2272 2086 A 27 LYS HG3 A 26 HIS HA 1.0 . 6.50 2273 2087 A 27 LYS HE2 A 27 LYS HG2 1.0 . 6.50 2274 2087 A 27 LYS HE3 A 27 LYS HG2 1.0 . 6.50 2275 2087 A 27 LYS HG3 A 27 LYS HE2 1.0 . 6.50 2276 2087 A 27 LYS HG3 A 27 LYS HE3 1.0 . 6.50 2277 2088 A 27 LYS HA A 27 LYS HG2 1.0 . 5.99 2278 2088 A 27 LYS HG3 A 27 LYS HA 1.0 . 5.99 2279 2089 A 97 TYR HA A 3 VAL HB 1.0 . 6.50 2280 2090 A 3 VAL HG2% A 97 TYR HA 1.0 . 5.43 2281 2091 A 97 TYR HB3 A 97 TYR HA 1.0 . 6.50 2282 2092 A 97 TYR HA A 97 TYR HD2 1.0 . 6.50 2283 2093 A 96 ALA HB% A 97 TYR HA 1.0 . 6.05 2284 2094 A 97 TYR HA A 97 TYR HE1 1.0 . 6.50 2285 2095 A 97 TYR HA A 97 TYR HB2 1.0 . 6.05 2286 2096 A 97 TYR HA A 3 VAL HA 1.0 . 6.49 2287 2097 A 3 VAL H A 97 TYR HA 1.0 . 6.50 2288 2098 A 3 VAL HG1% A 97 TYR HA 1.0 . 5.66 2289 2099 A 97 TYR H A 97 TYR HA 1.0 . 6.22 2290 2100 A 5 LYS HG2 A 5 LYS HA 1.0 . 4.94 2291 2101 A 5 LYS H A 5 LYS HA 1.0 . 6.50 2292 2102 A 5 LYS HA A 5 LYS HG3 1.0 . 5.04 2293 2103 A 5 LYS HA A 8 LYS H 1.0 . 6.50 2294 2104 A 5 LYS HA A 4 GLU H 1.0 . 6.28 2295 2105 A 5 LYS HA A 5 LYS HE2 1.0 . 6.50 2296 2105 A 5 LYS HA A 5 LYS HE3 1.0 . 6.50 2297 2106 A 5 LYS HA A 6 GLY H 1.0 . 6.50 2298 2107 A 5 LYS HA A 5 LYS HB2 1.0 . 4.96 2299 2107 A 5 LYS HA A 5 LYS HB3 1.0 . 4.96 2300 2108 A 94 LEU H A 9 ILE HG12 1.0 . 6.50 2301 2109 A 9 ILE HG12 A 7 LYS H 1.0 . 6.50 2302 2110 A 9 ILE HG12 A 9 ILE H 1.0 . 6.09 2303 2111 A 98 LEU HB2 A 98 LEU HD1% 1.0 . 5.62 2304 2112 A 99 LYS H A 98 LEU HD1% 1.0 . 6.50 2305 2113 A 97 TYR HB3 A 98 LEU HD1% 1.0 . 6.50 2306 2114 A 98 LEU HD1% A 98 LEU HG 1.0 . 5.40 2307 2115 A 98 LEU H A 98 LEU HD1% 1.0 . 6.50 2308 2116 A 32 LEU HD1% A 98 LEU HD1% 1.0 . 6.50 2309 2117 A 98 LEU HD1% A 98 LEU HA 1.0 . 5.32 2310 2118 A 59 TRP H A 58 ILE HG13 1.0 . 6.50 2311 2119 A 58 ILE HG13 A 58 ILE H 1.0 . 6.50 2312 2120 A 58 ILE HG13 A 57 ILE HA 1.0 . 6.50 2313 2121 A 58 ILE HG13 A 39 LYS HA 1.0 . 6.50 2314 2122 A 58 ILE HG13 A 58 ILE HA 1.0 . 6.50 2315 2123 A 51 ALA HA A 54 ASN HB2 1.0 . 6.50 2316 2123 A 54 ASN HB3 A 51 ALA HA 1.0 . 6.50 2317 2124 A 51 ALA HA A 54 ASN HD22 1.0 . 6.50 2318 2125 A 11 ILE HA A 11 ILE HG2% 1.0 . 5.60 2319 2126 A 14 CYS H A 11 ILE HA 1.0 . 6.50 2320 2127 A 11 ILE HA A 11 ILE HG12 1.0 . 5.97 2321 2128 A 11 ILE HA A 10 PHE HA 1.0 . 6.50 2322 2129 A 15 SER HB2 A 11 ILE HA 1.0 . 6.50 2323 2130 A 11 ILE HA A 11 ILE HD1% 1.0 . 5.86 2324 2131 A 11 ILE HA A 8 LYS HA 1.0 . 6.50 2325 2132 A 11 ILE HA A 11 ILE H 1.0 . 6.48 2326 2133 A 11 ILE HA A 11 ILE HG13 1.0 . 5.75 2327 2134 A 11 ILE HA A 10 PHE HD2 1.0 . 6.50 2328 2135 A 11 ILE HA A 11 ILE HB 1.0 . 6.26 2329 2136 A 15 SER H A 11 ILE HA 1.0 . 6.50 2330 2137 A 15 SER HB3 A 11 ILE HA 1.0 . 5.29 2331 2138 A 3 VAL HG2% A 3 VAL HB 1.0 . 4.74 2332 2139 A 96 ALA H A 3 VAL HG2% 1.0 . 6.50 2333 2140 A 3 VAL HG2% A 97 TYR HA 1.0 . 6.14 2334 2141 A 100 LYS H A 3 VAL HG2% 1.0 . 6.50 2335 2142 A 100 LYS HB3 A 3 VAL HG2% 1.0 . 4.79 2336 2143 A 3 VAL HG2% A 5 LYS H 1.0 . 6.50 2337 2144 A 96 ALA HB% A 3 VAL HG2% 1.0 . 4.74 2338 2145 A 3 VAL HG2% A 3 VAL HA 1.0 . 5.38 2339 2146 A 3 VAL HG2% A 97 TYR HD1 1.0 . 6.50 2340 2147 A 96 ALA HA A 3 VAL HG2% 1.0 . 6.50 2341 2148 A 3 VAL HG2% A 3 VAL H 1.0 . 5.54 2342 2149 A 3 VAL HG2% A 4 GLU H 1.0 . 6.50 2343 2150 A 3 VAL HG2% A 2 ASP HA 1.0 . 6.50 2344 2151 A 41 GLY H A 41 GLY HA3 1.0 . 6.50 2345 2152 A 41 GLY HA3 A 40 THR HB 1.0 . 6.50 2346 2153 A 66 GLU HG2 A 66 GLU HB2 1.0 . 6.50 2347 2154 A 65 MET H A 66 GLU HG2 1.0 . 6.50 2348 2155 A 59 TRP HZ3 A 66 GLU HG2 1.0 . 6.50 2349 2156 A 66 GLU HG2 A 66 GLU HB3 1.0 . 6.50 2350 2157 A 66 GLU HG2 A 67 TYR H 1.0 . 6.50 2351 2158 A 67 TYR HD% A 66 GLU HG2 1.0 . 6.50 2352 2159 A 65 MET HA A 66 GLU HG2 1.0 . 6.50 2353 2160 A 66 GLU H A 66 GLU HG2 1.0 . 6.50 2354 2161 A 66 GLU HG2 A 66 GLU HA 1.0 . 6.50 2355 2162 A 66 GLU HG2 A 65 MET HB2 1.0 . 6.50 2356 2163 A 97 TYR HB3 A 97 TYR HE2 1.0 . 6.50 2357 2164 A 96 ALA H A 97 TYR HB3 1.0 . 6.50 2358 2165 A 97 TYR HB3 A 97 TYR HA 1.0 . 5.79 2359 2166 A 97 TYR HB3 A 97 TYR HD2 1.0 . 6.30 2360 2167 A 97 TYR HB3 A 96 ALA HB% 1.0 . 6.50 2361 2168 A 97 TYR HB3 A 97 TYR HE1 1.0 . 6.50 2362 2169 A 97 TYR HB3 A 97 TYR HB2 1.0 . 5.11 2363 2170 A 97 TYR HB3 A 6 GLY HA3 1.0 . 5.84 2364 2171 A 97 TYR HB3 A 97 TYR HD1 1.0 . 6.50 2365 2172 A 97 TYR HB3 A 6 GLY HA2 1.0 . 5.32 2366 2173 A 97 TYR HB3 A 97 TYR H 1.0 . 5.98 2367 2174 A 97 TYR HB3 A 7 LYS H 1.0 . 6.50 2368 2175 A 97 TYR HB3 A 6 GLY H 1.0 . 6.50 2369 2176 A 36 PHE HB2 A 36 PHE HB3 1.0 . 4.54 2370 2177 A 36 PHE HD% A 36 PHE HB3 1.0 . 5.59 2371 2178 A 36 PHE HB3 A 35 LEU HB3 1.0 . 6.50 2372 2179 A 36 PHE HB3 A 36 PHE H 1.0 . 6.17 2373 2180 A 36 PHE HE% A 36 PHE HB3 1.0 . 6.50 2374 2181 A 36 PHE HB3 A 36 PHE HA 1.0 . 6.07 2375 2182 A 72 LYS HB2 A 72 LYS HE2 1.0 . 6.50 2376 2182 A 72 LYS HE3 A 72 LYS HB2 1.0 . 6.50 2377 2183 A 72 LYS H A 72 LYS HB2 1.0 . 6.41 2378 2184 A 71 PRO HB2 A 72 LYS HB2 1.0 . 6.44 2379 2185 A 100 LYS HB3 A 101 ALA HA 1.0 . 6.50 2380 2186 A 100 LYS HB3 A 101 ALA HB% 1.0 . 6.50 2381 2187 A 89 GLU H A 92 ALA HB% 1.0 . 6.50 2382 2188 A 92 ALA HB% A 91 ARG HB3 1.0 . 5.98 2383 2189 A 92 ALA HB% A 93 ASP H 1.0 . 5.61 2384 2190 A 92 ALA HB% A 91 ARG HB2 1.0 . 5.65 2385 2191 A 92 ALA HB% A 92 ALA HA 1.0 . 4.47 2386 2192 A 92 ALA HB% A 1 GLY HA2 1.0 . 6.50 2387 2193 A 92 ALA HB% A 90 GLU H 1.0 . 6.50 2388 2194 A 92 ALA HB% A 92 ALA H 1.0 . 4.95 2389 2195 A 92 ALA HB% A 91 ARG H 1.0 . 6.50 2390 2196 A 92 ALA HB% A 91 ARG HA 1.0 . 6.50 2391 2197 A 92 ALA HB% A 93 ASP HA 1.0 . 6.37 2392 2198 A 95 ILE H A 92 ALA HB% 1.0 . 6.50 2393 2199 A 24 GLY H A 22 LYS HA 1.0 . 6.50 2394 2200 A 22 LYS HA A 31 ASN HD21 1.0 . 6.50 2395 2201 A 22 LYS HA A 33 HIS HE1 1.0 . 6.50 2396 2202 A 22 LYS HA A 23 GLY HA3 1.0 . 6.50 2397 2203 A 22 LYS HA A 22 LYS HG2 1.0 . 6.04 2398 2204 A 22 LYS HA A 23 GLY H 1.0 . 5.67 2399 2205 A 22 LYS HA A 21 GLU HG2 1.0 . 6.50 2400 2205 A 22 LYS HA A 21 GLU HG3 1.0 . 6.50 2401 2206 A 22 LYS HA A 22 LYS HE2 1.0 . 5.72 2402 2206 A 22 LYS HA A 22 LYS HE3 1.0 . 5.72 2403 2207 A 22 LYS HA A 21 GLU HB3 1.0 . 6.50 2404 2208 A 22 LYS HA A 23 GLY HA2 1.0 . 6.50 2405 2209 A 22 LYS HA A 21 GLU HA 1.0 . 6.50 2406 2210 A 22 LYS HA A 22 LYS HB3 1.0 . 5.54 2407 2211 A 22 LYS HA A 22 LYS HB2 1.0 . 5.70 2408 2212 A 22 LYS HA A 22 LYS HG3 1.0 . 5.51 2409 2213 A 22 LYS HA A 22 LYS H 1.0 . 6.19 2410 2214 A 22 LYS HA A 22 LYS HD2 1.0 . 6.50 2411 2214 A 22 LYS HA A 22 LYS HD3 1.0 . 6.50 2412 2215 A 22 LYS HA A 21 GLU HB2 1.0 . 6.50 2413 2216 A 68 LEU HA A 68 LEU HB2 1.0 . 6.05 2414 2217 A 67 TYR HB2 A 68 LEU HB2 1.0 . 6.50 2415 2218 A 68 LEU HB2 A 68 LEU HD1% 1.0 . 6.20 2416 2218 A 68 LEU HB2 A 68 LEU HD2% 1.0 . 6.20 2417 2219 A 68 LEU HB2 A 65 MET HA 1.0 . 6.50 2418 2220 A 68 LEU HB2 A 69 GLU H 1.0 . 6.50 2419 2221 A 76 PRO HA A 76 PRO HB2 1.0 . 6.50 2420 2222 A 76 PRO HD3 A 76 PRO HB2 1.0 . 6.50 2421 2223 A 76 PRO HD2 A 76 PRO HB2 1.0 . 6.50 2422 2224 A 38 ARG HG3 A 38 ARG HG2 1.0 . 4.87 2423 2225 A 38 ARG HG2 A 38 ARG HD3 1.0 . 6.50 2424 2226 A 98 LEU HD1% A 98 LEU HG 1.0 . 5.33 2425 2227 A 97 TYR HB3 A 98 LEU HG 1.0 . 6.50 2426 2228 A 98 LEU H A 98 LEU HG 1.0 . 5.78 2427 2229 A 98 LEU HG A 97 TYR HB2 1.0 . 6.50 2428 2230 A 102 THR HG2% A 98 LEU HG 1.0 . 6.38 2429 2231 A 98 LEU HD2% A 98 LEU HG 1.0 . 5.43 2430 2232 A 98 LEU HA A 98 LEU HG 1.0 . 6.50 2431 2233 A 98 LEU HB3 A 98 LEU HG 1.0 . 6.50 2432 2234 A 90 GLU H A 90 GLU HA 1.0 . 6.50 2433 2235 A 41 GLY HA3 A 42 GLN HA 1.0 . 6.50 2434 2236 A 79 LYS HA A 79 LYS HD2 1.0 . 6.50 2435 2237 A 79 LYS HD2 A 79 LYS HE2 1.0 . 6.50 2436 2238 A 79 LYS HD2 A 79 LYS HE3 1.0 . 6.50 2437 2239 A 70 ASN HA A 69 GLU HA 1.0 . 6.50 2438 2240 A 71 PRO HG3 A 70 ASN HA 1.0 . 6.50 2439 2241 A 71 PRO HD2 A 70 ASN HA 1.0 . 5.86 2440 2242 A 72 LYS H A 70 ASN HA 1.0 . 6.50 2441 2243 A 70 ASN HA A 69 GLU HB3 1.0 . 6.50 2442 2244 A 70 ASN HD22 A 70 ASN HA 1.0 . 6.50 2443 2245 A 70 ASN H A 70 ASN HA 1.0 . 6.50 2444 2246 A 70 ASN HA A 70 ASN HB2 1.0 . 5.37 2445 2246 A 70 ASN HA A 70 ASN HB3 1.0 . 5.37 2446 2247 A 70 ASN HA A 71 PRO HG2 1.0 . 6.50 2447 2248 A 70 ASN HA A 71 PRO HD3 1.0 . 5.80 2448 2249 A 70 ASN HA A 73 LYS HB2 1.0 . 6.50 2449 2249 A 73 LYS HB3 A 70 ASN HA 1.0 . 6.50 2450 2250 A 69 GLU H A 70 ASN HA 1.0 . 6.50 2451 2251 A 70 ASN HA A 70 ASN HD21 1.0 . 6.50 2452 2252 A 70 ASN HA A 85 ILE H 1.0 . 6.50 2453 2253 A 75 ILE HG2% A 74 TYR H 1.0 . 6.50 2454 2254 A 75 ILE HG2% A 76 PRO HD3 1.0 . 6.50 2455 2255 A 75 ILE HG2% A 52 ASN HA 1.0 . 6.50 2456 2256 A 75 ILE HG2% A 51 ALA HB% 1.0 . 6.28 2457 2257 A 75 ILE HB A 75 ILE HG2% 1.0 . 5.63 2458 2258 A 75 ILE HG2% A 74 TYR HA 1.0 . 6.50 2459 2259 A 11 ILE HA A 11 ILE HG2% 1.0 . 5.84 2460 2260 A 11 ILE HG2% A 11 ILE HG12 1.0 . 5.28 2461 2261 A 12 MET H A 11 ILE HG2% 1.0 . 6.50 2462 2262 A 15 SER HB2 A 11 ILE HG2% 1.0 . 6.50 2463 2263 A 11 ILE HG2% A 11 ILE H 1.0 . 6.50 2464 2264 A 11 ILE HG2% A 11 ILE HG13 1.0 . 5.91 2465 2265 A 11 ILE HG2% A 11 ILE HB 1.0 . 5.22 2466 2266 A 15 SER H A 11 ILE HG2% 1.0 . 6.50 2467 2267 A 15 SER HB3 A 11 ILE HG2% 1.0 . 6.50 2468 2268 A 81 ILE HA A 81 ILE HB 1.0 . 6.50 2469 2269 A 82 PHE H A 81 ILE HB 1.0 . 6.50 2470 2270 A 81 ILE HB A 81 ILE HG2% 1.0 . 5.37 2471 2271 A 81 ILE HB A 81 ILE HG13 1.0 . 5.91 2472 2272 A 81 ILE HB A 81 ILE H 1.0 . 5.95 2473 2273 A 81 ILE HB A 81 ILE HD1% 1.0 . 5.57 2474 2274 A 81 ILE HB A 81 ILE HG12 1.0 . 5.65 2475 2275 A 62 ASP HA A 65 MET HB3 1.0 . 6.50 2476 2276 A 69 GLU H A 65 MET HB3 1.0 . 6.50 2477 2277 A 71 PRO HD2 A 71 PRO HB3 1.0 . 6.50 2478 2278 A 71 PRO HD2 A 71 PRO HG3 1.0 . 6.14 2479 2279 A 73 LYS H A 71 PRO HD2 1.0 . 6.50 2480 2280 A 71 PRO HD2 A 70 ASN HA 1.0 . 5.36 2481 2281 A 71 PRO HD2 A 82 PHE HE% 1.0 . 6.50 2482 2282 A 71 PRO HD2 A 82 PHE HA 1.0 . 6.50 2483 2283 A 71 PRO HD2 A 72 LYS H 1.0 . 6.50 2484 2284 A 71 PRO HD2 A 71 PRO HA 1.0 . 6.50 2485 2285 A 71 PRO HD2 A 71 PRO HB2 1.0 . 6.50 2486 2286 A 71 PRO HD2 A 72 LYS HB3 1.0 . 6.50 2487 2287 A 70 ASN H A 71 PRO HD2 1.0 . 6.50 2488 2288 A 71 PRO HD2 A 71 PRO HG2 1.0 . 5.94 2489 2289 A 71 PRO HD2 A 70 ASN HD21 1.0 . 6.50 2490 2290 A 8 LYS HA A 8 LYS HE2 1.0 . 6.50 2491 2290 A 8 LYS HA A 8 LYS HE3 1.0 . 6.50 2492 2291 A 13 LYS HB3 A 13 LYS HE3 1.0 . 6.50 2493 2292 A 13 LYS HE3 A 13 LYS HG3 1.0 . 6.06 2494 2293 A 13 LYS HE3 A 13 LYS HD2 1.0 . 6.21 2495 2293 A 13 LYS HD3 A 13 LYS HE3 1.0 . 6.21 2496 2294 A 13 LYS HB2 A 13 LYS HE3 1.0 . 6.50 2497 2295 A 13 LYS HA A 13 LYS HE3 1.0 . 6.50 2498 2296 A 13 LYS H A 13 LYS HE3 1.0 . 6.50 2499 2297 A 17 CYS HA A 17 CYS HB2 1.0 . 6.30 2500 2298 A 18 HIS H A 17 CYS HB2 1.0 . 6.50 2501 2299 A 17 CYS HB2 A 29 GLY H 1.0 . 6.50 2502 2300 A 17 CYS HB2 A 29 GLY HA2 1.0 . 6.50 2503 2301 A 17 CYS HB2 A 17 CYS H 1.0 . 6.50 2504 2302 A 17 CYS HB2 A 16 GLN HB3 1.0 . 6.50 2505 2303 A 17 CYS HB2 A 28 THR HG2% 1.0 . 6.50 2506 2304 A 17 CYS HB2 A 28 THR HB 1.0 . 6.50 2507 2305 A 12 MET HG3 A 12 MET HB2 1.0 . 6.39 2508 2306 A 12 MET H A 12 MET HB2 1.0 . 5.35 2509 2307 A 12 MET HA A 12 MET HB2 1.0 . 5.79 2510 2308 A 12 MET HB2 A 12 MET HG2 1.0 . 6.08 2511 2309 A 13 LYS H A 12 MET HB2 1.0 . 6.50 2512 2310 A 12 MET HB2 A 11 ILE H 1.0 . 6.50 2513 2311 A 12 MET HB2 A 11 ILE HB 1.0 . 5.87 2514 2312 A 54 ASN HA A 53 LYS HB3 1.0 . 6.50 2515 2313 A 54 ASN HA A 54 ASN HB2 1.0 . 5.13 2516 2313 A 54 ASN HA A 54 ASN HB3 1.0 . 5.13 2517 2314 A 54 ASN HA A 54 ASN HD22 1.0 . 6.50 2518 2315 A 54 ASN HA A 55 LYS H 1.0 . 6.50 2519 2316 A 54 ASN HA A 51 ALA HB% 1.0 . 6.50 2520 2317 A 54 ASN HA A 53 LYS HB2 1.0 . 6.50 2521 2318 A 54 ASN HA A 53 LYS HD2 1.0 . 6.50 2522 2318 A 54 ASN HA A 53 LYS HD3 1.0 . 6.50 2523 2319 A 88 LYS HA A 88 LYS HB3 1.0 . 6.50 2524 2320 A 8 LYS HG2 A 8 LYS HE2 1.0 . 6.50 2525 2320 A 8 LYS HE3 A 8 LYS HG2 1.0 . 6.50 2526 2321 A 8 LYS H A 8 LYS HG2 1.0 . 6.31 2527 2322 A 8 LYS HA A 8 LYS HG2 1.0 . 6.50 2528 2323 A 39 LYS HB2 A 39 LYS HE2 1.0 . 6.50 2529 2323 A 39 LYS HB2 A 39 LYS HE3 1.0 . 6.50 2530 2324 A 39 LYS H A 39 LYS HB2 1.0 . 6.50 2531 2325 A 39 LYS HB2 A 39 LYS HA 1.0 . 6.19 2532 2326 A 39 LYS HB2 A 38 ARG HB2 1.0 . 6.50 2533 2326 A 38 ARG HB3 A 39 LYS HB2 1.0 . 6.50 2534 2327 A 27 LYS HD2 A 27 LYS HE2 1.0 . 6.50 2535 2327 A 27 LYS HD2 A 27 LYS HE3 1.0 . 6.50 2536 2328 A 22 LYS HA A 22 LYS HG2 1.0 . 6.50 2537 2329 A 22 LYS HG2 A 23 GLY H 1.0 . 6.50 2538 2330 A 22 LYS HG2 A 22 LYS HE2 1.0 . 6.50 2539 2330 A 22 LYS HG2 A 22 LYS HE3 1.0 . 6.50 2540 2331 A 22 LYS HG2 A 22 LYS HB3 1.0 . 6.50 2541 2332 A 22 LYS HG2 A 22 LYS H 1.0 . 6.50 2542 2333 A 98 LEU HB2 A 99 LYS HA 1.0 . 6.50 2543 2334 A 99 LYS HD2 A 99 LYS HA 1.0 . 6.50 2544 2335 A 99 LYS H A 99 LYS HA 1.0 . 6.15 2545 2336 A 99 LYS HA A 102 THR H 1.0 . 6.50 2546 2337 A 100 LYS H A 99 LYS HA 1.0 . 6.50 2547 2338 A 36 PHE HD% A 99 LYS HA 1.0 . 6.50 2548 2339 A 99 LYS HA A 99 LYS HG2 1.0 . 6.39 2549 2340 A 99 LYS HA A 99 LYS HB2 1.0 . 6.50 2550 2341 A 99 LYS HA A 99 LYS HD3 1.0 . 6.50 2551 2342 A 99 LYS HA A 98 LEU HA 1.0 . 6.50 2552 2343 A 99 LYS HA A 98 LEU HB3 1.0 . 6.50 2553 2344 A 99 LYS HA A 103 ASN H 1.0 . 6.50 2554 2345 A 99 LYS HA A 36 PHE HE% 1.0 . 6.50 2555 2346 A 99 LYS HA A 99 LYS HG3 1.0 . 5.81 2556 2347 A 73 LYS HA A 73 LYS HD2 1.0 . 5.50 2557 2347 A 73 LYS HD3 A 73 LYS HA 1.0 . 5.50 2558 2348 A 74 TYR H A 73 LYS HA 1.0 . 6.50 2559 2349 A 73 LYS HA A 73 LYS HG2 1.0 . 4.99 2560 2349 A 73 LYS HA A 73 LYS HG3 1.0 . 4.99 2561 2350 A 73 LYS HA A 73 LYS HE2 1.0 . 6.50 2562 2350 A 73 LYS HA A 73 LYS HE3 1.0 . 6.50 2563 2351 A 73 LYS HA A 73 LYS HB2 1.0 . 4.85 2564 2351 A 73 LYS HA A 73 LYS HB3 1.0 . 4.85 2565 2352 A 75 ILE HA A 76 PRO HD3 1.0 . 5.37 2566 2353 A 76 PRO HD3 A 76 PRO HG2 1.0 . 6.21 2567 2354 A 76 PRO HD3 A 76 PRO HA 1.0 . 6.50 2568 2355 A 76 PRO HD3 A 76 PRO HB2 1.0 . 6.50 2569 2356 A 75 ILE HG2% A 76 PRO HD3 1.0 . 6.50 2570 2357 A 76 PRO HD3 A 76 PRO HG3 1.0 . 6.07 2571 2358 A 76 PRO HD3 A 76 PRO HB3 1.0 . 6.50 2572 2359 A 75 ILE H A 76 PRO HD3 1.0 . 6.50 2573 2360 A 76 PRO HD3 A 76 PRO HD2 1.0 . 4.65 2574 2361 A 78 THR H A 77 GLY HA3 1.0 . 6.50 2575 2362 A 77 GLY HA3 A 76 PRO HA 1.0 . 6.50 2576 2363 A 77 GLY HA3 A 76 PRO HB2 1.0 . 6.50 2577 2364 A 77 GLY HA3 A 51 ALA HB% 1.0 . 6.50 2578 2365 A 77 GLY HA3 A 77 GLY H 1.0 . 6.50 2579 2366 A 20 VAL HG2% A 21 GLU HG2 1.0 . 6.50 2580 2366 A 21 GLU HG3 A 20 VAL HG2% 1.0 . 6.50 2581 2367 A 24 GLY H A 21 GLU HG2 1.0 . 6.50 2582 2367 A 24 GLY H A 21 GLU HG3 1.0 . 6.50 2583 2368 A 20 VAL H A 21 GLU HG2 1.0 . 6.50 2584 2368 A 21 GLU HG3 A 20 VAL H 1.0 . 6.50 2585 2369 A 22 LYS HA A 21 GLU HG2 1.0 . 6.50 2586 2369 A 22 LYS HA A 21 GLU HG3 1.0 . 6.50 2587 2370 A 21 GLU HB3 A 21 GLU HG2 1.0 . 5.43 2588 2370 A 21 GLU HG3 A 21 GLU HB3 1.0 . 5.43 2589 2371 A 21 GLU HA A 21 GLU HG2 1.0 . 6.37 2590 2371 A 21 GLU HG3 A 21 GLU HA 1.0 . 6.37 2591 2372 A 22 LYS H A 21 GLU HG2 1.0 . 6.50 2592 2372 A 21 GLU HG3 A 22 LYS H 1.0 . 6.50 2593 2373 A 21 GLU HB2 A 21 GLU HG2 1.0 . 5.45 2594 2373 A 21 GLU HG3 A 21 GLU HB2 1.0 . 5.45 2595 2374 A 104 GLU HB2 A 104 GLU HA 1.0 . 6.07 2596 2375 A 102 THR HG2% A 104 GLU HB2 1.0 . 6.50 2597 2376 A 104 GLU H A 104 GLU HB2 1.0 . 6.50 2598 2377 A 103 ASN H A 104 GLU HB2 1.0 . 6.50 2599 2378 A 17 CYS HB3 A 29 GLY HA2 1.0 . 6.50 2600 2379 A 17 CYS HA A 29 GLY HA2 1.0 . 6.50 2601 2380 A 28 THR HA A 29 GLY HA2 1.0 . 6.50 2602 2381 A 17 CYS HB2 A 29 GLY HA2 1.0 . 6.50 2603 2382 A 29 GLY H A 29 GLY HA2 1.0 . 6.50 2604 2383 A 28 THR HG2% A 29 GLY HA2 1.0 . 6.50 2605 2384 A 46 TYR HD% A 29 GLY HA2 1.0 . 6.50 2606 2385 A 29 GLY HA2 A 29 GLY HA3 1.0 . 5.17 2607 2386 A 28 THR HB A 29 GLY HA2 1.0 . 6.50 2608 2387 A 90 GLU HB3 A 90 GLU HA 1.0 . 6.50 2609 2388 A 85 ILE HG2% A 90 GLU HB3 1.0 . 5.67 2610 2389 A 90 GLU H A 90 GLU HB3 1.0 . 6.50 2611 2390 A 98 LEU HB2 A 99 LYS HB3 1.0 . 6.50 2612 2391 A 99 LYS H A 99 LYS HB3 1.0 . 6.45 2613 2392 A 36 PHE HD% A 99 LYS HB3 1.0 . 6.50 2614 2393 A 99 LYS HA A 99 LYS HB3 1.0 . 6.03 2615 2394 A 99 LYS HB3 A 99 LYS HE2 1.0 . 6.48 2616 2394 A 99 LYS HE3 A 99 LYS HB3 1.0 . 6.48 2617 2395 A 99 LYS HG2 A 99 LYS HB3 1.0 . 6.37 2618 2396 A 36 PHE HE% A 99 LYS HB3 1.0 . 6.48 2619 2397 A 99 LYS HG3 A 99 LYS HB3 1.0 . 6.15 2620 2398 A 5 LYS HG2 A 2 ASP HB3 1.0 . 6.50 2621 2399 A 5 LYS H A 2 ASP HB3 1.0 . 6.50 2622 2400 A 2 ASP HB3 A 5 LYS HG3 1.0 . 6.50 2623 2401 A 2 ASP HB3 A 2 ASP HB2 1.0 . 4.10 2624 2402 A 2 ASP HB3 A 4 GLU H 1.0 . 6.50 2625 2403 A 2 ASP HB3 A 2 ASP HA 1.0 . 5.53 2626 2404 A 2 ASP H A 2 ASP HB3 1.0 . 6.48 2627 2405 A 65 MET HB3 A 65 MET HG2 1.0 . 6.04 2628 2406 A 65 MET H A 65 MET HG2 1.0 . 6.50 2629 2407 A 65 MET HA A 65 MET HG2 1.0 . 6.50 2630 2408 A 95 ILE HD1% A 65 MET HG2 1.0 . 6.05 2631 2409 A 66 GLU H A 65 MET HG2 1.0 . 6.50 2632 2410 A 65 MET HG2 A 65 MET HB2 1.0 . 6.02 2633 2411 A 95 ILE HA A 96 ALA HB% 1.0 . 6.50 2634 2412 A 96 ALA HB% A 1 GLY HA3 1.0 . 6.50 2635 2413 A 99 LYS H A 96 ALA HB% 1.0 . 6.50 2636 2414 A 96 ALA HB% A 3 VAL HG2% 1.0 . 5.01 2637 2415 A 96 ALA HB% A 1 GLY HA2 1.0 . 5.87 2638 2416 A 96 ALA HB% A 95 ILE HB 1.0 . 6.50 2639 2417 A 96 ALA HB% A 3 VAL HA 1.0 . 6.50 2640 2418 A 96 ALA HB% A 3 VAL H 1.0 . 6.50 2641 2419 A 96 ALA HB% A 2 ASP HA 1.0 . 6.50 2642 2420 A 96 ALA HB% A 2 ASP H 1.0 . 6.50 2643 2421 A 96 ALA HB% A 95 ILE H 1.0 . 6.50 2644 2422 A 24 GLY HA2 A 25 LYS HA 1.0 . 6.50 2645 2423 A 25 LYS HB2 A 25 LYS HA 1.0 . 5.81 2646 2424 A 25 LYS HA A 25 LYS HE2 1.0 . 6.50 2647 2424 A 25 LYS HA A 25 LYS HE3 1.0 . 6.50 2648 2425 A 25 LYS HA A 25 LYS HB3 1.0 . 5.88 2649 2426 A 25 LYS HA A 25 LYS HD2 1.0 . 5.79 2650 2426 A 25 LYS HA A 25 LYS HD3 1.0 . 5.79 2651 2427 A 26 HIS H A 25 LYS HA 1.0 . 6.22 2652 2428 A 25 LYS H A 25 LYS HA 1.0 . 6.14 2653 2429 A 25 LYS HA A 25 LYS HG2 1.0 . 5.76 2654 2429 A 25 LYS HA A 25 LYS HG3 1.0 . 5.76 2655 2430 A 100 LYS HG3 A 100 LYS HE2 1.0 . 6.50 2656 2430 A 100 LYS HG3 A 100 LYS HE3 1.0 . 6.50 2657 2431 A 100 LYS HA A 100 LYS HG3 1.0 . 6.50 2658 2432 A 101 ALA H A 100 LYS HG3 1.0 . 6.50 2659 2433 A 31 ASN HD21 A 31 ASN HB3 1.0 . 6.50 2660 2434 A 31 ASN HB3 A 31 ASN HD22 1.0 . 6.50 2661 2435 A 31 ASN HB3 A 31 ASN HA 1.0 . 6.40 2662 2436 A 19 THR H A 31 ASN HB3 1.0 . 6.50 2663 2437 A 31 ASN HB3 A 32 LEU H 1.0 . 6.50 2664 2438 A 7 LYS HA A 7 LYS HB3 1.0 . 6.50 2665 2439 A 7 LYS HB3 A 6 GLY HA3 1.0 . 6.50 2666 2440 A 8 LYS H A 7 LYS HB3 1.0 . 6.50 2667 2441 A 4 GLU HA A 7 LYS HB3 1.0 . 6.50 2668 2442 A 11 ILE HD1% A 7 LYS HB3 1.0 . 6.50 2669 2443 A 7 LYS HB3 A 7 LYS HD2 1.0 . 6.50 2670 2443 A 7 LYS HB3 A 7 LYS HD3 1.0 . 6.50 2671 2444 A 7 LYS HB3 A 7 LYS H 1.0 . 6.50 2672 2445 A 35 LEU HD2% A 38 ARG HD2 1.0 . 6.50 2673 2446 A 59 TRP HD1 A 38 ARG HD2 1.0 . 6.50 2674 2447 A 38 ARG HG3 A 38 ARG HD2 1.0 . 6.50 2675 2448 A 38 ARG HD2 A 40 THR H 1.0 . 6.50 2676 2449 A 54 ASN H A 53 LYS HB3 1.0 . 6.50 2677 2450 A 53 LYS HB3 A 53 LYS H 1.0 . 5.89 2678 2451 A 92 ALA HA A 91 ARG HB3 1.0 . 6.17 2679 2452 A 93 ASP H A 92 ALA HA 1.0 . 6.50 2680 2453 A 92 ALA HA A 91 ARG HB2 1.0 . 6.50 2681 2454 A 92 ALA H A 92 ALA HA 1.0 . 6.21 2682 2455 A 95 ILE HD1% A 92 ALA HA 1.0 . 6.11 2683 2456 A 95 ILE H A 92 ALA HA 1.0 . 6.50 2684 2457 A 67 TYR HA A 74 TYR HB2 1.0 . 6.50 2685 2458 A 64 LEU HA A 67 TYR HA 1.0 . 6.50 2686 2459 A 67 TYR HE% A 67 TYR HA 1.0 . 6.50 2687 2460 A 67 TYR HA A 74 TYR HB3 1.0 . 6.50 2688 2461 A 67 TYR HA A 64 LEU HD1% 1.0 . 6.50 2689 2461 A 67 TYR HA A 64 LEU HD2% 1.0 . 6.50 2690 2462 A 67 TYR HA A 69 GLU HB2 1.0 . 6.50 2691 2463 A 67 TYR HA A 67 TYR H 1.0 . 6.50 2692 2464 A 67 TYR HA A 74 TYR HD% 1.0 . 6.50 2693 2465 A 67 TYR HA A 70 ASN H 1.0 . 6.50 2694 2466 A 67 TYR HA A 66 GLU H 1.0 . 6.50 2695 2467 A 67 TYR HA A 67 TYR HB3 1.0 . 6.50 2696 2468 A 67 TYR HA A 69 GLU H 1.0 . 6.50 2697 2469 A 33 HIS HB2 A 32 LEU HA 1.0 . 6.50 2698 2470 A 31 ASN HD21 A 33 HIS HB2 1.0 . 6.49 2699 2471 A 33 HIS HB2 A 33 HIS HA 1.0 . 6.50 2700 2472 A 33 HIS HB2 A 34 GLY H 1.0 . 6.50 2701 2473 A 33 HIS HB2 A 33 HIS H 1.0 . 6.42 2702 2474 A 33 HIS HB2 A 102 THR HG2% 1.0 . 6.50 2703 2475 A 33 HIS HB2 A 31 ASN HD22 1.0 . 6.50 2704 2476 A 33 HIS HB2 A 32 LEU H 1.0 . 6.50 2705 2477 A 52 ASN H A 52 ASN HB3 1.0 . 6.50 2706 2478 A 51 ALA HA A 52 ASN HB3 1.0 . 6.50 2707 2479 A 52 ASN HB3 A 53 LYS H 1.0 . 6.50 2708 2480 A 52 ASN HB3 A 52 ASN HA 1.0 . 6.50 2709 2481 A 52 ASN HB3 A 51 ALA HB% 1.0 . 6.50 2710 2482 A 1 GLY HA3 A 1 GLY HA2 1.0 . 4.55 2711 2483 A 92 ALA HB% A 1 GLY HA2 1.0 . 6.50 2712 2484 A 96 ALA HB% A 1 GLY HA2 1.0 . 5.35 2713 2485 A 93 ASP HA A 1 GLY HA2 1.0 . 6.20 2714 2486 A 1 GLY HA2 A 2 ASP HA 1.0 . 6.50 2715 2487 A 1 GLY HA2 A 2 ASP H 1.0 . 6.50 2716 2488 A 91 ARG HG2 A 91 ARG HD2 1.0 . 6.50 2717 2489 A 91 ARG HA A 91 ARG HG2 1.0 . 6.50 2718 2490 A 91 ARG HG2 A 91 ARG HD3 1.0 . 6.50 2719 2491 A 57 ILE HB A 57 ILE HG2% 1.0 . 6.27 2720 2492 A 57 ILE HA A 57 ILE HG2% 1.0 . 6.50 2721 2493 A 11 ILE HA A 11 ILE HG12 1.0 . 6.50 2722 2494 A 11 ILE HG2% A 11 ILE HG12 1.0 . 5.75 2723 2495 A 11 ILE HD1% A 11 ILE HG12 1.0 . 5.53 2724 2496 A 11 ILE HG12 A 11 ILE H 1.0 . 6.50 2725 2497 A 68 LEU HA A 68 LEU HB3 1.0 . 5.86 2726 2498 A 68 LEU H A 68 LEU HB3 1.0 . 6.40 2727 2499 A 68 LEU HB2 A 68 LEU HB3 1.0 . 4.69 2728 2500 A 68 LEU HB3 A 68 LEU HD1% 1.0 . 5.76 2729 2500 A 68 LEU HD2% A 68 LEU HB3 1.0 . 5.76 2730 2501 A 68 LEU HB3 A 65 MET HA 1.0 . 6.50 2731 2502 A 68 LEU HB3 A 69 GLU H 1.0 . 6.50 2732 2503 A 73 LYS H A 72 LYS HG3 1.0 . 6.50 2733 2504 A 72 LYS HG3 A 72 LYS H 1.0 . 6.50 2734 2505 A 72 LYS HG3 A 72 LYS HA 1.0 . 6.50 2735 2506 A 13 LYS HE3 A 13 LYS HG3 1.0 . 6.50 2736 2507 A 82 PHE HE% A 13 LYS HG3 1.0 . 6.50 2737 2508 A 13 LYS HB2 A 13 LYS HG3 1.0 . 6.50 2738 2509 A 13 LYS HA A 13 LYS HG3 1.0 . 6.50 2739 2510 A 13 LYS H A 13 LYS HG3 1.0 . 6.50 2740 2511 A 13 LYS HG3 A 13 LYS HE2 1.0 . 6.50 2741 2512 A 32 LEU HA A 32 LEU HB2 1.0 . 5.69 2742 2513 A 32 LEU HD2% A 32 LEU HB2 1.0 . 5.42 2743 2514 A 20 VAL HG1% A 32 LEU HB2 1.0 . 6.50 2744 2515 A 32 LEU HD1% A 32 LEU HB2 1.0 . 5.55 2745 2516 A 31 ASN HA A 32 LEU HB2 1.0 . 6.50 2746 2517 A 32 LEU HB2 A 32 LEU HG 1.0 . 5.93 2747 2518 A 32 LEU H A 32 LEU HB2 1.0 . 6.50 2748 2519 A 58 ILE HD1% A 60 GLY HA3 1.0 . 6.50 2749 2520 A 60 GLY HA3 A 61 GLU HB2 1.0 . 6.50 2750 2520 A 60 GLY HA3 A 61 GLU HB3 1.0 . 6.50 2751 2521 A 64 LEU H A 60 GLY HA3 1.0 . 6.50 2752 2522 A 36 PHE HD% A 60 GLY HA3 1.0 . 6.50 2753 2523 A 60 GLY HA3 A 62 ASP H 1.0 . 6.50 2754 2524 A 60 GLY HA3 A 60 GLY HA2 1.0 . 4.98 2755 2525 A 60 GLY HA3 A 61 GLU H 1.0 . 6.12 2756 2526 A 60 GLY H A 60 GLY HA3 1.0 . 6.35 2757 2527 A 60 GLY HA3 A 59 TRP HA 1.0 . 6.50 2758 2528 A 36 PHE HE% A 60 GLY HA3 1.0 . 6.50 2759 2529 A 64 LEU HG A 60 GLY HA3 1.0 . 6.50 2760 2530 A 35 LEU HD2% A 35 LEU HA 1.0 . 5.47 2761 2531 A 36 PHE HB2 A 35 LEU HA 1.0 . 6.50 2762 2532 A 36 PHE HD% A 35 LEU HA 1.0 . 6.50 2763 2533 A 34 GLY H A 35 LEU HA 1.0 . 6.50 2764 2534 A 35 LEU HD1% A 35 LEU HA 1.0 . 5.81 2765 2535 A 35 LEU HA A 35 LEU H 1.0 . 5.98 2766 2536 A 35 LEU HG A 35 LEU HA 1.0 . 6.48 2767 2537 A 35 LEU HA A 35 LEU HB2 1.0 . 4.98 2768 2538 A 35 LEU HA A 35 LEU HB3 1.0 . 5.93 2769 2539 A 38 ARG HG3 A 35 LEU HA 1.0 . 6.50 2770 2540 A 35 LEU HA A 32 LEU HG 1.0 . 6.50 2771 2541 A 36 PHE H A 35 LEU HA 1.0 . 6.50 2772 2542 A 35 LEU HA A 102 THR HB 1.0 . 6.50 2773 2543 A 59 TRP HB2 A 35 LEU HA 1.0 . 6.50 2774 2544 A 10 PHE HB2 A 10 PHE HA 1.0 . 6.47 2775 2545 A 14 CYS HB2 A 10 PHE HA 1.0 . 6.50 2776 2546 A 14 CYS H A 10 PHE HA 1.0 . 6.50 2777 2547 A 10 PHE HA A 12 MET H 1.0 . 6.50 2778 2548 A 10 PHE HA A 10 PHE HB3 1.0 . 5.60 2779 2549 A 10 PHE HA A 10 PHE H 1.0 . 6.10 2780 2550 A 9 ILE HB A 10 PHE HA 1.0 . 6.50 2781 2551 A 10 PHE HA A 10 PHE HE2 1.0 . 6.50 2782 2552 A 94 LEU HG A 10 PHE HA 1.0 . 5.55 2783 2553 A 10 PHE HA A 13 LYS H 1.0 . 6.50 2784 2554 A 10 PHE HA A 11 ILE H 1.0 . 6.50 2785 2555 A 10 PHE HA A 9 ILE HA 1.0 . 6.50 2786 2556 A 10 PHE HA A 14 CYS HB3 1.0 . 5.78 2787 2557 A 10 PHE HA A 10 PHE HD2 1.0 . 6.45 2788 2558 A 15 SER H A 10 PHE HA 1.0 . 6.50 2789 2559 A 53 LYS HA A 53 LYS HG2 1.0 . 6.50 2790 2559 A 53 LYS HA A 53 LYS HG3 1.0 . 6.50 2791 2560 A 53 LYS HB3 A 53 LYS HG2 1.0 . 4.93 2792 2560 A 53 LYS HB3 A 53 LYS HG3 1.0 . 4.93 2793 2561 A 53 LYS H A 53 LYS HG2 1.0 . 6.50 2794 2561 A 53 LYS H A 53 LYS HG3 1.0 . 6.50 2795 2562 A 53 LYS HE2 A 53 LYS HG2 1.0 . 5.57 2796 2562 A 53 LYS HG3 A 53 LYS HE2 1.0 . 5.57 2797 2562 A 53 LYS HG3 A 53 LYS HE3 1.0 . 5.57 2798 2562 A 53 LYS HE3 A 53 LYS HG2 1.0 . 5.57 2799 2563 A 53 LYS HB2 A 53 LYS HG2 1.0 . 5.22 2800 2563 A 53 LYS HB2 A 53 LYS HG3 1.0 . 5.22 2801 2564 A 14 CYS HB2 A 15 SER HA 1.0 . 6.45 2802 2565 A 16 GLN H A 15 SER HA 1.0 . 6.50 2803 2566 A 15 SER HA A 14 CYS H 1.0 . 6.50 2804 2567 A 15 SER HA A 17 CYS H 1.0 . 6.50 2805 2568 A 15 SER HA A 15 SER H 1.0 . 6.22 2806 2569 A 27 LYS HB2 A 27 LYS HG2 1.0 . 6.02 2807 2569 A 27 LYS HG3 A 27 LYS HB2 1.0 . 6.02 2808 2570 A 27 LYS HB2 A 29 GLY H 1.0 . 6.50 2809 2571 A 27 LYS HB2 A 26 HIS HA 1.0 . 6.50 2810 2572 A 27 LYS HB2 A 27 LYS HE2 1.0 . 6.50 2811 2572 A 27 LYS HB2 A 27 LYS HE3 1.0 . 6.50 2812 2573 A 27 LYS HB2 A 27 LYS HD3 1.0 . 6.50 2813 2574 A 27 LYS HB2 A 27 LYS HB3 1.0 . 6.50 2814 2575 A 22 LYS H A 22 LYS HE2 1.0 . 6.50 2815 2575 A 22 LYS H A 22 LYS HE3 1.0 . 6.50 2816 2576 A 102 THR H A 102 THR HA 1.0 . 6.46 2817 2577 A 102 THR HA A 33 HIS HA 1.0 . 5.79 2818 2578 A 34 GLY H A 102 THR HA 1.0 . 6.50 2819 2579 A 102 THR HA A 35 LEU H 1.0 . 6.50 2820 2580 A 102 THR HA A 102 THR HG2% 1.0 . 5.23 2821 2581 A 20 VAL HG1% A 102 THR HA 1.0 . 6.50 2822 2582 A 102 THR HA A 101 ALA HB% 1.0 . 6.50 2823 2583 A 102 THR HA A 102 THR HB 1.0 . 5.49 2824 2584 A 101 ALA H A 102 THR HA 1.0 . 6.50 2825 2585 A 81 ILE HA A 82 PHE HA 1.0 . 6.50 2826 2586 A 83 VAL H A 82 PHE HA 1.0 . 5.74 2827 2587 A 81 ILE HB A 82 PHE HA 1.0 . 6.50 2828 2588 A 82 PHE HA A 82 PHE HE% 1.0 . 6.50 2829 2589 A 82 PHE HA A 80 MET HG3 1.0 . 6.50 2830 2590 A 82 PHE HA A 82 PHE HB3 1.0 . 6.41 2831 2591 A 82 PHE HA A 82 PHE HB2 1.0 . 6.50 2832 2592 A 57 ILE HB A 57 ILE HA 1.0 . 6.50 2833 2593 A 81 ILE HA A 81 ILE HG2% 1.0 . 5.19 2834 2594 A 82 PHE H A 81 ILE HG2% 1.0 . 6.50 2835 2595 A 81 ILE HB A 81 ILE HG2% 1.0 . 4.91 2836 2596 A 81 ILE HG2% A 81 ILE HG13 1.0 . 5.73 2837 2597 A 81 ILE HG2% A 81 ILE H 1.0 . 6.50 2838 2598 A 81 ILE HG2% A 81 ILE HG12 1.0 . 5.46 2839 2599 A 78 THR HG2% A 78 THR HB 1.0 . 4.96 2840 2600 A 78 THR H A 78 THR HB 1.0 . 6.23 2841 2601 A 78 THR HB A 77 GLY HA2 1.0 . 6.50 2842 2602 A 21 GLU HB3 A 20 VAL HG2% 1.0 . 6.50 2843 2603 A 22 LYS HA A 21 GLU HB3 1.0 . 6.50 2844 2604 A 21 GLU HB3 A 23 GLY H 1.0 . 6.50 2845 2605 A 21 GLU HB3 A 21 GLU HA 1.0 . 6.50 2846 2606 A 21 GLU HB3 A 22 LYS H 1.0 . 6.50 2847 2607 A 104 GLU HA A 104 GLU HG2 1.0 . 6.23 2848 2607 A 104 GLU HG3 A 104 GLU HA 1.0 . 6.23 2849 2608 A 104 GLU HB2 A 104 GLU HA 1.0 . 5.84 2850 2609 A 104 GLU H A 104 GLU HA 1.0 . 6.28 2851 2610 A 103 ASN H A 104 GLU HA 1.0 . 6.50 2852 2611 A 104 GLU HA A 103 ASN HA 1.0 . 6.50 2853 2612 A 63 THR H A 62 ASP HB3 1.0 . 6.50 2854 2613 A 62 ASP H A 62 ASP HB3 1.0 . 6.50 2855 2614 A 59 TRP HB3 A 35 LEU HD1% 1.0 . 6.50 2856 2615 A 59 TRP H A 35 LEU HD1% 1.0 . 6.50 2857 2616 A 35 LEU HD1% A 32 LEU HD2% 1.0 . 6.16 2858 2617 A 36 PHE HD% A 35 LEU HD1% 1.0 . 6.50 2859 2618 A 35 LEU HD1% A 34 GLY H 1.0 . 6.50 2860 2619 A 35 LEU HD1% A 35 LEU HA 1.0 . 6.50 2861 2620 A 35 LEU HD1% A 35 LEU H 1.0 . 6.50 2862 2621 A 35 LEU HD1% A 35 LEU HB2 1.0 . 5.27 2863 2622 A 32 LEU HD1% A 35 LEU HD1% 1.0 . 6.34 2864 2623 A 35 LEU HD1% A 35 LEU HB3 1.0 . 5.34 2865 2624 A 35 LEU HD1% A 36 PHE H 1.0 . 6.50 2866 2625 A 36 PHE HE% A 35 LEU HD1% 1.0 . 6.50 2867 2626 A 50 ALA H A 49 THR HA 1.0 . 5.92 2868 2627 A 49 THR HA A 49 THR HG2% 1.0 . 5.93 2869 2628 A 16 GLN HB3 A 15 SER HB2 1.0 . 5.09 2870 2629 A 16 GLN HA A 16 GLN HB3 1.0 . 5.51 2871 2630 A 83 VAL HB A 83 VAL HG1% 1.0 . 4.44 2872 2630 A 83 VAL HG2% A 83 VAL HB 1.0 . 4.44 2873 2631 A 83 VAL H A 83 VAL HB 1.0 . 6.50 2874 2632 A 82 PHE HA A 83 VAL HB 1.0 . 6.50 2875 2633 A 82 PHE HB3 A 83 VAL HB 1.0 . 6.50 2876 2634 A 83 VAL HA A 83 VAL HB 1.0 . 5.45 2877 2635 A 42 GLN HA A 42 GLN HG2 1.0 . 6.30 2878 2636 A 42 GLN HE21 A 42 GLN HG2 1.0 . 6.50 2879 2637 A 39 LYS HB3 A 42 GLN HG2 1.0 . 6.50 2880 2638 A 42 GLN HG2 A 42 GLN HB3 1.0 . 5.59 2881 2639 A 42 GLN H A 42 GLN HG2 1.0 . 6.50 2882 2640 A 42 GLN HG2 A 42 GLN HE22 1.0 . 6.50 2883 2641 A 24 GLY H A 23 GLY HA2 1.0 . 6.50 2884 2642 A 22 LYS HA A 23 GLY HA2 1.0 . 6.50 2885 2643 A 23 GLY HA3 A 23 GLY HA2 1.0 . 4.53 2886 2644 A 23 GLY HA2 A 23 GLY H 1.0 . 6.40 2887 2645 A 23 GLY HA2 A 22 LYS H 1.0 . 6.50 2888 2646 A 97 TYR HA A 97 TYR HB2 1.0 . 5.32 2889 2647 A 97 TYR HD2 A 97 TYR HB2 1.0 . 6.50 2890 2648 A 96 ALA HB% A 97 TYR HB2 1.0 . 6.50 2891 2649 A 97 TYR HB2 A 97 TYR HE1 1.0 . 6.50 2892 2650 A 97 TYR HB2 A 97 TYR HD1 1.0 . 6.41 2893 2651 A 97 TYR H A 97 TYR HB2 1.0 . 6.03 2894 2652 A 97 TYR HB2 A 7 LYS H 1.0 . 6.12 2895 2653 A 6 GLY H A 97 TYR HB2 1.0 . 6.50 2896 2654 A 89 GLU H A 87 LYS HB3 1.0 . 6.50 2897 2655 A 87 LYS HA A 87 LYS HB3 1.0 . 6.50 2898 2656 A 87 LYS HB3 A 87 LYS H 1.0 . 5.56 2899 2657 A 87 LYS HB3 A 90 GLU H 1.0 . 6.50 2900 2658 A 10 PHE HB3 A 97 TYR HE2 1.0 . 6.50 2901 2659 A 14 CYS HB2 A 10 PHE HB3 1.0 . 6.50 2902 2660 A 10 PHE HB3 A 7 LYS HA 1.0 . 6.50 2903 2661 A 97 TYR HD2 A 10 PHE HB3 1.0 . 6.50 2904 2662 A 10 PHE HA A 10 PHE HB3 1.0 . 6.36 2905 2663 A 12 MET H A 10 PHE HB3 1.0 . 6.50 2906 2664 A 10 PHE HB3 A 10 PHE H 1.0 . 5.94 2907 2665 A 9 ILE HB A 10 PHE HB3 1.0 . 6.50 2908 2666 A 10 PHE HD1 A 10 PHE HB3 1.0 . 6.50 2909 2667 A 94 LEU HG A 10 PHE HB3 1.0 . 5.89 2910 2668 A 10 PHE HB3 A 11 ILE H 1.0 . 6.50 2911 2669 A 14 CYS HB3 A 10 PHE HB3 1.0 . 6.50 2912 2670 A 10 PHE HB3 A 10 PHE HD2 1.0 . 6.50 2913 2671 A 5 LYS HA A 5 LYS HG3 1.0 . 6.15 2914 2672 A 5 LYS HG3 A 5 LYS HE2 1.0 . 6.50 2915 2672 A 5 LYS HG3 A 5 LYS HE3 1.0 . 6.50 2916 2673 A 25 LYS HA A 25 LYS HB3 1.0 . 6.50 2917 2674 A 24 GLY HA3 A 25 LYS HB3 1.0 . 6.50 2918 2675 A 96 ALA H A 94 LEU HA 1.0 . 6.08 2919 2676 A 94 LEU HA A 94 LEU HD1% 1.0 . 5.19 2920 2676 A 94 LEU HA A 94 LEU HD2% 1.0 . 5.19 2921 2677 A 3 VAL HB A 3 VAL HA 1.0 . 5.43 2922 2678 A 97 TYR HA A 3 VAL HA 1.0 . 5.84 2923 2679 A 3 VAL HG2% A 3 VAL HA 1.0 . 5.35 2924 2680 A 96 ALA HB% A 3 VAL HA 1.0 . 5.91 2925 2681 A 97 TYR HD1 A 3 VAL HA 1.0 . 6.50 2926 2682 A 3 VAL H A 3 VAL HA 1.0 . 5.82 2927 2683 A 2 ASP HB2 A 3 VAL HA 1.0 . 6.50 2928 2684 A 3 VAL HG1% A 3 VAL HA 1.0 . 5.33 2929 2685 A 3 VAL HA A 4 GLU H 1.0 . 5.73 2930 2686 A 3 VAL HA A 2 ASP HA 1.0 . 6.50 2931 2687 A 79 LYS HA A 79 LYS HB3 1.0 . 6.50 2932 2688 A 79 LYS HB3 A 79 LYS HE2 1.0 . 6.50 2933 2689 A 79 LYS HB3 A 79 LYS HE3 1.0 . 6.50 2934 2690 A 96 ALA H A 95 ILE HG2% 1.0 . 6.50 2935 2691 A 95 ILE HA A 95 ILE HG2% 1.0 . 5.79 2936 2692 A 95 ILE HG2% A 61 GLU HB2 1.0 . 6.03 2937 2692 A 95 ILE HG2% A 61 GLU HB3 1.0 . 6.03 2938 2693 A 95 ILE HB A 95 ILE HG2% 1.0 . 5.43 2939 2694 A 95 ILE HG2% A 61 GLU HG2 1.0 . 6.07 2940 2695 A 95 ILE HG2% A 61 GLU HA 1.0 . 5.43 2941 2696 A 95 ILE HG2% A 61 GLU H 1.0 . 6.50 2942 2697 A 95 ILE HG2% A 95 ILE HG12 1.0 . 6.05 2943 2698 A 95 ILE HG2% A 61 GLU HG3 1.0 . 6.42 2944 2699 A 95 ILE HG2% A 95 ILE H 1.0 . 6.15 2945 2700 A 95 ILE HG2% A 36 PHE HE% 1.0 . 6.27 2946 2701 A 27 LYS H A 26 HIS HB2 1.0 . 6.50 2947 2702 A 26 HIS HA A 26 HIS HB2 1.0 . 6.50 2948 2703 A 26 HIS HB2 A 25 LYS HB3 1.0 . 6.50 2949 2704 A 26 HIS HB2 A 26 HIS H 1.0 . 6.50 2950 2705 A 26 HIS HB2 A 46 TYR HD% 1.0 . 6.50 2951 2706 A 52 ASN HA A 74 TYR HE% 1.0 . 6.50 2952 2707 A 52 ASN H A 52 ASN HA 1.0 . 6.50 2953 2708 A 52 ASN HB3 A 52 ASN HA 1.0 . 6.50 2954 2709 A 52 ASN HA A 53 LYS H 1.0 . 6.50 2955 2710 A 91 ARG HB3 A 91 ARG HD2 1.0 . 6.38 2956 2711 A 91 ARG HB2 A 91 ARG HD2 1.0 . 6.50 2957 2712 A 91 ARG HG2 A 91 ARG HD2 1.0 . 5.97 2958 2713 A 85 ILE HG2% A 91 ARG HD2 1.0 . 6.50 2959 2714 A 91 ARG H A 91 ARG HD2 1.0 . 6.50 2960 2715 A 91 ARG HG3 A 91 ARG HD2 1.0 . 6.50 2961 2716 A 85 ILE HB A 91 ARG HD2 1.0 . 6.50 2962 2717 A 91 ARG HD2 A 85 ILE HD1% 1.0 . 6.50 2963 2718 A 21 GLU HA A 20 VAL HG2% 1.0 . 6.50 2964 2719 A 21 GLU HA A 20 VAL HB 1.0 . 6.50 2965 2720 A 24 GLY H A 21 GLU HA 1.0 . 6.50 2966 2721 A 21 GLU HA A 20 VAL H 1.0 . 6.50 2967 2722 A 21 GLU HA A 21 GLU C 1.0 . 6.50 2968 2723 A 21 GLU HA A 21 GLU HG2 1.0 . 6.47 2969 2723 A 21 GLU HG3 A 21 GLU HA 1.0 . 6.47 2970 2724 A 21 GLU HB3 A 21 GLU HA 1.0 . 5.79 2971 2725 A 21 GLU HA A 20 VAL HG1% 1.0 . 6.50 2972 2726 A 21 GLU HA A 22 LYS HB2 1.0 . 6.50 2973 2727 A 21 GLU HA A 22 LYS H 1.0 . 5.13 2974 2728 A 21 GLU HA A 21 GLU HB2 1.0 . 6.23 2975 2729 A 60 GLY HA3 A 61 GLU HG2 1.0 . 6.50 2976 2730 A 95 ILE HG2% A 61 GLU HG2 1.0 . 5.63 2977 2731 A 61 GLU HA A 61 GLU HG2 1.0 . 6.50 2978 2732 A 60 GLY HA2 A 61 GLU HG2 1.0 . 6.50 2979 2733 A 61 GLU HG2 A 61 GLU H 1.0 . 6.50 2980 2734 A 36 PHE HE% A 61 GLU HG2 1.0 . 6.50 2981 2735 A 43 ALA HB% A 46 TYR HA 1.0 . 6.21 2982 2736 A 46 TYR HD% A 46 TYR HA 1.0 . 6.50 2983 2737 A 46 TYR H A 46 TYR HA 1.0 . 6.50 2984 2738 A 46 TYR HA A 46 TYR HB2 1.0 . 6.50 2985 2738 A 46 TYR HA A 46 TYR HB3 1.0 . 6.50 2986 2739 A 65 MET HB3 A 66 GLU HB3 1.0 . 6.50 2987 2740 A 67 TYR H A 66 GLU HB3 1.0 . 6.50 2988 2741 A 65 MET HA A 66 GLU HB3 1.0 . 6.50 2989 2742 A 66 GLU H A 66 GLU HB3 1.0 . 6.50 2990 2743 A 66 GLU HB3 A 66 GLU HA 1.0 . 6.33 2991 2744 A 65 MET HB2 A 66 GLU HB3 1.0 . 6.50 2992 2745 A 54 ASN H A 54 ASN HB2 1.0 . 6.50 2993 2745 A 54 ASN H A 54 ASN HB3 1.0 . 6.50 2994 2746 A 51 ALA HA A 54 ASN HB2 1.0 . 6.50 2995 2746 A 54 ASN HB3 A 51 ALA HA 1.0 . 6.50 2996 2747 A 54 ASN HA A 54 ASN HB2 1.0 . 5.37 2997 2747 A 54 ASN HA A 54 ASN HB3 1.0 . 5.37 2998 2748 A 54 ASN HD22 A 54 ASN HB2 1.0 . 5.98 2999 2748 A 54 ASN HB3 A 54 ASN HD22 1.0 . 5.98 3000 2749 A 54 ASN HD21 A 54 ASN HB2 1.0 . 6.50 3001 2749 A 54 ASN HB3 A 54 ASN HD21 1.0 . 6.50 3002 2750 A 71 PRO HG3 A 82 PHE HB3 1.0 . 6.50 3003 2751 A 82 PHE H A 82 PHE HB3 1.0 . 6.32 3004 2752 A 81 ILE HB A 82 PHE HB3 1.0 . 6.50 3005 2753 A 82 PHE HB3 A 82 PHE HE% 1.0 . 6.50 3006 2754 A 80 MET HG2 A 82 PHE HB3 1.0 . 6.50 3007 2755 A 82 PHE HA A 82 PHE HB3 1.0 . 6.50 3008 2756 A 82 PHE HB3 A 80 MET HG3 1.0 . 6.02 3009 2757 A 82 PHE HB3 A 82 PHE HD% 1.0 . 6.15 3010 2758 A 82 PHE HB3 A 82 PHE HB2 1.0 . 5.48 3011 2759 A 22 LYS HA A 22 LYS HB3 1.0 . 6.06 3012 2760 A 22 LYS HG2 A 22 LYS HB3 1.0 . 6.16 3013 2761 A 22 LYS HB3 A 22 LYS HE2 1.0 . 6.50 3014 2761 A 22 LYS HE3 A 22 LYS HB3 1.0 . 6.50 3015 2762 A 22 LYS HB2 A 22 LYS HB3 1.0 . 4.50 3016 2763 A 22 LYS HG3 A 22 LYS HB3 1.0 . 5.98 3017 2764 A 22 LYS H A 22 LYS HB3 1.0 . 5.76 3018 2765 A 22 LYS HB3 A 22 LYS HD2 1.0 . 5.87 3019 2765 A 22 LYS HB3 A 22 LYS HD3 1.0 . 5.87 3020 2766 A 35 LEU HD2% A 35 LEU HG 1.0 . 5.96 3021 2767 A 59 TRP HB3 A 35 LEU HG 1.0 . 6.50 3022 2768 A 35 LEU HG A 35 LEU HA 1.0 . 6.50 3023 2769 A 35 LEU HD1% A 35 LEU HG 1.0 . 5.63 3024 2770 A 35 LEU HG A 35 LEU H 1.0 . 6.50 3025 2771 A 35 LEU HG A 35 LEU HB2 1.0 . 6.50 3026 2772 A 60 GLY H A 35 LEU HG 1.0 . 6.50 3027 2773 A 59 TRP HB2 A 35 LEU HG 1.0 . 6.50 3028 2774 A 71 PRO HB3 A 72 LYS HD2 1.0 . 6.50 3029 2774 A 71 PRO HB3 A 72 LYS HD3 1.0 . 6.50 3030 2775 A 72 LYS HA A 72 LYS HD2 1.0 . 6.50 3031 2775 A 72 LYS HA A 72 LYS HD3 1.0 . 6.50 3032 2776 A 71 PRO HA A 71 PRO HB3 1.0 . 5.57 3033 2777 A 71 PRO HG3 A 71 PRO HA 1.0 . 6.50 3034 2778 A 71 PRO HD2 A 71 PRO HA 1.0 . 6.50 3035 2779 A 74 TYR H A 71 PRO HA 1.0 . 6.50 3036 2780 A 72 LYS H A 71 PRO HA 1.0 . 6.50 3037 2781 A 71 PRO HB2 A 71 PRO HA 1.0 . 6.06 3038 2782 A 70 ASN H A 71 PRO HA 1.0 . 6.50 3039 2783 A 71 PRO HA A 71 PRO HG2 1.0 . 6.30 3040 2784 A 72 LYS HA A 71 PRO HA 1.0 . 6.50 3041 2785 A 71 PRO HA A 71 PRO HD3 1.0 . 6.50 3042 2786 A 71 PRO HA A 70 ASN HD21 1.0 . 6.50 3043 2787 A 35 LEU HD2% A 35 LEU HB2 1.0 . 5.58 3044 2788 A 34 GLY HA3 A 35 LEU HB2 1.0 . 6.50 3045 2789 A 59 TRP HB3 A 35 LEU HB2 1.0 . 6.50 3046 2790 A 35 LEU HB2 A 32 LEU HD2% 1.0 . 6.50 3047 2791 A 36 PHE HD% A 35 LEU HB2 1.0 . 6.50 3048 2792 A 34 GLY H A 35 LEU HB2 1.0 . 6.50 3049 2793 A 35 LEU HA A 35 LEU HB2 1.0 . 5.75 3050 2794 A 35 LEU HD1% A 35 LEU HB2 1.0 . 5.23 3051 2795 A 35 LEU H A 35 LEU HB2 1.0 . 5.54 3052 2796 A 35 LEU HG A 35 LEU HB2 1.0 . 6.00 3053 2797 A 102 THR HG2% A 35 LEU HB2 1.0 . 6.50 3054 2798 A 32 LEU HD1% A 35 LEU HB2 1.0 . 6.50 3055 2799 A 35 LEU HB2 A 35 LEU HB3 1.0 . 4.61 3056 2800 A 38 ARG HG3 A 35 LEU HB2 1.0 . 6.50 3057 2801 A 35 LEU HB2 A 32 LEU HG 1.0 . 6.50 3058 2802 A 35 LEU HB2 A 102 THR HB 1.0 . 6.50 3059 2803 A 36 PHE HE% A 35 LEU HB2 1.0 . 6.50 3060 2804 A 59 TRP HB2 A 35 LEU HB2 1.0 . 6.50 3061 2805 A 24 GLY HA2 A 25 LYS HD2 1.0 . 6.50 3062 2805 A 24 GLY HA2 A 25 LYS HD3 1.0 . 6.50 3063 2806 A 25 LYS HD2 A 25 LYS HE2 1.0 . 4.96 3064 2806 A 25 LYS HD3 A 25 LYS HE2 1.0 . 4.96 3065 2806 A 25 LYS HE3 A 25 LYS HD2 1.0 . 4.96 3066 2806 A 25 LYS HE3 A 25 LYS HD3 1.0 . 4.96 3067 2807 A 25 LYS HA A 25 LYS HD2 1.0 . 6.50 3068 2807 A 25 LYS HA A 25 LYS HD3 1.0 . 6.50 3069 2808 A 25 LYS H A 25 LYS HD2 1.0 . 6.50 3070 2808 A 25 LYS H A 25 LYS HD3 1.0 . 6.50 3071 2809 A 24 GLY HA3 A 25 LYS HD2 1.0 . 6.50 3072 2809 A 24 GLY HA3 A 25 LYS HD3 1.0 . 6.50 3073 2810 A 5 LYS HA A 6 GLY HA3 1.0 . 6.50 3074 2811 A 97 TYR HB3 A 6 GLY HA3 1.0 . 6.38 3075 2812 A 97 TYR HD2 A 6 GLY HA3 1.0 . 6.50 3076 2813 A 9 ILE HB A 6 GLY HA3 1.0 . 6.50 3077 2814 A 97 TYR HD1 A 6 GLY HA3 1.0 . 6.50 3078 2815 A 6 GLY HA2 A 6 GLY HA3 1.0 . 4.56 3079 2816 A 3 VAL HG1% A 6 GLY HA3 1.0 . 6.03 3080 2817 A 6 GLY HA3 A 93 ASP HB2 1.0 . 6.50 3081 2817 A 93 ASP HB3 A 6 GLY HA3 1.0 . 6.50 3082 2818 A 97 TYR H A 6 GLY HA3 1.0 . 5.75 3083 2819 A 6 GLY H A 6 GLY HA3 1.0 . 5.60 3084 2820 A 6 GLY HA3 A 5 LYS HB2 1.0 . 6.40 3085 2820 A 5 LYS HB3 A 6 GLY HA3 1.0 . 6.40 3086 2821 A 74 TYR HB3 A 74 TYR HE% 1.0 . 6.50 3087 2822 A 74 TYR HB2 A 74 TYR HB3 1.0 . 4.94 3088 2823 A 73 LYS H A 74 TYR HB3 1.0 . 6.50 3089 2824 A 74 TYR H A 74 TYR HB3 1.0 . 6.25 3090 2825 A 67 TYR HA A 74 TYR HB3 1.0 . 6.27 3091 2826 A 74 TYR HB3 A 74 TYR HD% 1.0 . 5.95 3092 2827 A 74 TYR HB3 A 75 ILE HD1% 1.0 . 6.50 3093 2828 A 74 TYR HB3 A 74 TYR HA 1.0 . 6.50 3094 2829 A 74 TYR HB3 A 75 ILE H 1.0 . 6.50 3095 2830 A 74 TYR HB3 A 73 LYS HB2 1.0 . 6.50 3096 2830 A 74 TYR HB3 A 73 LYS HB3 1.0 . 6.50 3097 2831 A 5 LYS H A 8 LYS HB2 1.0 . 6.50 3098 2831 A 5 LYS H A 8 LYS HB3 1.0 . 6.50 3099 2832 A 61 GLU HA A 61 GLU HB2 1.0 . 5.53 3100 2832 A 61 GLU HA A 61 GLU HB3 1.0 . 5.53 3101 2833 A 64 LEU H A 61 GLU HA 1.0 . 6.50 3102 2834 A 65 MET H A 61 GLU HA 1.0 . 6.50 3103 2835 A 60 GLY HA3 A 61 GLU HA 1.0 . 6.50 3104 2836 A 62 ASP H A 61 GLU HA 1.0 . 6.50 3105 2837 A 95 ILE HG2% A 61 GLU HA 1.0 . 5.45 3106 2838 A 61 GLU HA A 61 GLU HG2 1.0 . 6.50 3107 2839 A 61 GLU HA A 61 GLU H 1.0 . 6.50 3108 2840 A 95 ILE HD1% A 61 GLU HA 1.0 . 6.50 3109 2841 A 61 GLU HA A 61 GLU HG3 1.0 . 6.50 3110 2842 A 36 PHE HE% A 61 GLU HA 1.0 . 6.50 3111 2843 A 64 LEU HG A 61 GLU HA 1.0 . 6.48 3112 2844 A 87 LYS HB2 A 87 LYS HE2 1.0 . 5.82 3113 2844 A 87 LYS HE3 A 87 LYS HB2 1.0 . 5.82 3114 2845 A 86 LYS HB3 A 87 LYS HE2 1.0 . 6.41 3115 2845 A 87 LYS HE3 A 86 LYS HB2 1.0 . 6.41 3116 2845 A 87 LYS HE3 A 86 LYS HB3 1.0 . 6.41 3117 2845 A 86 LYS HB2 A 87 LYS HE2 1.0 . 6.41 3118 2846 A 87 LYS HD2 A 87 LYS HE2 1.0 . 5.12 3119 2846 A 87 LYS HD3 A 87 LYS HE2 1.0 . 5.12 3120 2846 A 87 LYS HE3 A 87 LYS HD2 1.0 . 5.12 3121 2846 A 87 LYS HE3 A 87 LYS HD3 1.0 . 5.12 3122 2847 A 87 LYS HG2 A 87 LYS HE2 1.0 . 4.94 3123 2847 A 87 LYS HE3 A 87 LYS HG2 1.0 . 4.94 3124 2848 A 87 LYS HB3 A 87 LYS HE2 1.0 . 6.50 3125 2848 A 87 LYS HB3 A 87 LYS HE3 1.0 . 6.50 3126 2849 A 87 LYS H A 87 LYS HE2 1.0 . 6.50 3127 2849 A 87 LYS HE3 A 87 LYS H 1.0 . 6.50 3128 2850 A 87 LYS HG3 A 87 LYS HE2 1.0 . 5.61 3129 2850 A 87 LYS HE3 A 87 LYS HG3 1.0 . 5.61 3130 2851 A 76 PRO HA A 76 PRO HG3 1.0 . 6.50 3131 2852 A 76 PRO HB2 A 76 PRO HG3 1.0 . 5.56 3132 2853 A 76 PRO HD3 A 76 PRO HG3 1.0 . 6.33 3133 2854 A 76 PRO HB3 A 76 PRO HG3 1.0 . 4.87 3134 2855 A 76 PRO HD2 A 76 PRO HG3 1.0 . 6.50 3135 2856 A 15 SER HB2 A 11 ILE HA 1.0 . 6.23 3136 2857 A 16 GLN HE21 A 15 SER HB2 1.0 . 6.50 3137 2858 A 16 GLN H A 15 SER HB2 1.0 . 6.50 3138 2859 A 15 SER HB2 A 11 ILE HG2% 1.0 . 6.50 3139 2860 A 17 CYS H A 15 SER HB2 1.0 . 6.50 3140 2861 A 16 GLN HB2 A 15 SER HB2 1.0 . 6.50 3141 2862 A 15 SER HB2 A 14 CYS HB3 1.0 . 6.50 3142 2863 A 15 SER HB2 A 15 SER H 1.0 . 6.50 3143 2864 A 15 SER HB2 A 15 SER HB3 1.0 . 4.78 3144 2865 A 99 LYS HG2 A 99 LYS HE2 1.0 . 5.71 3145 2865 A 99 LYS HE3 A 99 LYS HG2 1.0 . 5.71 3146 2866 A 99 LYS HD3 A 99 LYS HE2 1.0 . 5.25 3147 2866 A 99 LYS HE3 A 99 LYS HD3 1.0 . 5.25 3148 2867 A 98 LEU HB3 A 99 LYS HE2 1.0 . 6.19 3149 2867 A 99 LYS HE3 A 98 LEU HB3 1.0 . 6.19 3150 2868 A 36 PHE HE% A 99 LYS HE2 1.0 . 6.50 3151 2868 A 99 LYS HE3 A 36 PHE HE% 1.0 . 6.50 3152 2869 A 99 LYS HG3 A 99 LYS HE2 1.0 . 5.62 3153 2869 A 99 LYS HE3 A 99 LYS HG3 1.0 . 5.62 3154 2870 A 55 LYS H A 55 LYS HB3 1.0 . 6.50 3155 2871 A 55 LYS HB3 A 55 LYS HA 1.0 . 6.50 3156 2872 A 16 GLN HE21 A 16 GLN HG3 1.0 . 6.50 3157 2873 A 16 GLN H A 16 GLN HG3 1.0 . 6.50 3158 2874 A 17 CYS H A 16 GLN HG3 1.0 . 6.50 3159 2875 A 16 GLN HB3 A 16 GLN HG3 1.0 . 5.93 3160 2876 A 16 GLN HG3 A 16 GLN HE22 1.0 . 6.50 3161 2877 A 16 GLN HG3 A 16 GLN HB2 1.0 . 6.00 3162 2878 A 16 GLN HA A 16 GLN HG3 1.0 . 6.50 3163 2879 A 68 LEU HA A 69 GLU HB2 1.0 . 6.50 3164 2880 A 69 GLU HA A 69 GLU HB2 1.0 . 6.50 3165 2881 A 68 LEU HB3 A 69 GLU HB2 1.0 . 5.86 3166 2882 A 69 GLU H A 69 GLU HB2 1.0 . 6.50 3167 2883 A 102 THR H A 101 ALA HA 1.0 . 6.50 3168 2884 A 100 LYS H A 101 ALA HA 1.0 . 6.50 3169 2885 A 100 LYS HB3 A 101 ALA HA 1.0 . 6.50 3170 2886 A 101 ALA HA A 104 GLU H 1.0 . 6.50 3171 2887 A 101 ALA HA A 100 LYS HB2 1.0 . 6.50 3172 2888 A 103 ASN H A 101 ALA HA 1.0 . 6.50 3173 2889 A 101 ALA HA A 101 ALA HB% 1.0 . 4.63 3174 2890 A 101 ALA H A 101 ALA HA 1.0 . 5.82 3175 2891 A 59 TRP H A 39 LYS HA 1.0 . 6.50 3176 2892 A 39 LYS HA A 39 LYS HD2 1.0 . 6.49 3177 2892 A 39 LYS HD3 A 39 LYS HA 1.0 . 6.49 3178 2893 A 39 LYS HB2 A 39 LYS HA 1.0 . 5.96 3179 2894 A 39 LYS H A 39 LYS HA 1.0 . 6.50 3180 2895 A 58 ILE HA A 39 LYS HA 1.0 . 5.25 3181 2896 A 39 LYS HA A 39 LYS HG2 1.0 . 5.52 3182 2896 A 39 LYS HG3 A 39 LYS HA 1.0 . 5.52 3183 2897 A 58 ILE HG2% A 39 LYS HA 1.0 . 6.43 3184 2898 A 39 LYS HA A 38 ARG HB2 1.0 . 6.50 3185 2898 A 38 ARG HB3 A 39 LYS HA 1.0 . 6.50 3186 2899 A 40 THR H A 39 LYS HA 1.0 . 5.54 3187 2900 A 39 LYS HB3 A 39 LYS HA 1.0 . 6.12 3188 2901 A 38 ARG HA A 39 LYS HA 1.0 . 6.50 3189 2902 A 79 LYS HD2 A 79 LYS HE3 1.0 . 6.50 3190 2903 A 79 LYS HE3 A 79 LYS HD3 1.0 . 6.50 3191 2904 A 79 LYS HG3 A 79 LYS HE3 1.0 . 6.50 3192 2905 A 81 ILE HA A 81 ILE HG13 1.0 . 6.50 3193 2906 A 81 ILE HB A 81 ILE HG13 1.0 . 6.42 3194 2907 A 87 LYS HA A 85 ILE HG2% 1.0 . 6.50 3195 2908 A 85 ILE HG2% A 85 ILE HG12 1.0 . 5.16 3196 2909 A 85 ILE HG2% A 91 ARG HD2 1.0 . 6.50 3197 2910 A 85 ILE HG2% A 90 GLU H 1.0 . 6.50 3198 2911 A 85 ILE HG2% A 91 ARG H 1.0 . 6.50 3199 2912 A 85 ILE HG2% A 91 ARG HA 1.0 . 6.50 3200 2913 A 85 ILE HG2% A 84 GLY HA3 1.0 . 6.50 3201 2914 A 85 ILE HG2% A 85 ILE HB 1.0 . 5.21 3202 2915 A 85 ILE HG2% A 86 LYS H 1.0 . 6.50 3203 2916 A 85 ILE HG2% A 90 GLU HB2 1.0 . 5.76 3204 2917 A 85 ILE HG2% A 85 ILE H 1.0 . 5.76 3205 2918 A 85 ILE HG2% A 85 ILE HA 1.0 . 5.98 3206 2919 A 100 LYS H A 99 LYS HG2 1.0 . 6.50 3207 2920 A 99 LYS HA A 99 LYS HG2 1.0 . 6.34 3208 2921 A 99 LYS HG2 A 99 LYS HE2 1.0 . 6.19 3209 2921 A 99 LYS HE3 A 99 LYS HG2 1.0 . 6.19 3210 2922 A 99 LYS HG2 A 99 LYS HB2 1.0 . 5.52 3211 2923 A 90 GLU HG3 A 90 GLU HA 1.0 . 6.16 3212 2924 A 90 GLU H A 90 GLU HG3 1.0 . 6.50 3213 2925 A 58 ILE H A 58 ILE HA 1.0 . 6.06 3214 2926 A 58 ILE HA A 39 LYS HA 1.0 . 5.83 3215 2927 A 58 ILE HA A 38 ARG H 1.0 . 6.50 3216 2928 A 78 THR HG2% A 78 THR HA 1.0 . 6.50 3217 2929 A 78 THR H A 78 THR HA 1.0 . 6.50 3218 2930 A 78 THR HA A 75 ILE HB 1.0 . 6.50 3219 2931 A 20 VAL HG2% A 102 THR HG2% 1.0 . 6.29 3220 2932 A 102 THR HG2% A 34 GLY HA3 1.0 . 6.50 3221 2933 A 20 VAL HB A 102 THR HG2% 1.0 . 5.74 3222 2934 A 102 THR H A 102 THR HG2% 1.0 . 5.96 3223 2935 A 102 THR HG2% A 98 LEU HG 1.0 . 6.50 3224 2936 A 34 GLY H A 102 THR HG2% 1.0 . 6.50 3225 2937 A 102 THR HA A 102 THR HG2% 1.0 . 5.54 3226 2938 A 102 THR HG2% A 35 LEU H 1.0 . 6.50 3227 2939 A 102 THR HG2% A 35 LEU HB2 1.0 . 6.50 3228 2940 A 101 ALA HA A 102 THR HG2% 1.0 . 6.50 3229 2941 A 102 THR HG2% A 34 GLY HA2 1.0 . 6.50 3230 2942 A 20 VAL HG1% A 102 THR HG2% 1.0 . 5.64 3231 2943 A 32 LEU HD1% A 102 THR HG2% 1.0 . 6.50 3232 2944 A 102 THR HG2% A 35 LEU HB3 1.0 . 6.50 3233 2945 A 98 LEU HA A 102 THR HG2% 1.0 . 6.06 3234 2946 A 103 ASN H A 102 THR HG2% 1.0 . 6.50 3235 2947 A 102 THR HG2% A 101 ALA HB% 1.0 . 5.55 3236 2948 A 102 THR HG2% A 102 THR HB 1.0 . 5.40 3237 2949 A 32 LEU H A 102 THR HG2% 1.0 . 6.50 3238 2950 A 101 ALA H A 102 THR HG2% 1.0 . 6.50 3239 2951 A 102 THR HG2% A 103 ASN HA 1.0 . 5.64 3240 2952 A 34 GLY H A 34 GLY HA2 1.0 . 5.99 3241 2953 A 35 LEU H A 34 GLY HA2 1.0 . 6.50 3242 2954 A 102 THR HG2% A 34 GLY HA2 1.0 . 6.50 3243 2955 A 34 GLY HA2 A 35 LEU HB3 1.0 . 6.50 3244 2956 A 33 HIS HB3 A 34 GLY HA2 1.0 . 6.50 3245 2957 A 36 PHE H A 34 GLY HA2 1.0 . 5.96 3246 2958 A 34 GLY HA2 A 102 THR HB 1.0 . 6.50 3247 2959 A 5 LYS H A 4 GLU HG2 1.0 . 6.50 3248 2960 A 4 GLU HG2 A 3 VAL HA 1.0 . 6.50 3249 2961 A 4 GLU HG2 A 4 GLU HA 1.0 . 6.50 3250 2962 A 4 GLU HG2 A 4 GLU H 1.0 . 6.50 3251 2963 A 9 ILE HB A 12 MET H 1.0 . 6.50 3252 2964 A 9 ILE HB A 6 GLY HA3 1.0 . 6.50 3253 2965 A 9 ILE HB A 6 GLY HA2 1.0 . 6.50 3254 2966 A 9 ILE HB A 6 GLY H 1.0 . 6.27 3255 2967 A 9 ILE HB A 9 ILE H 1.0 . 6.18 3256 2968 A 17 CYS HB3 A 18 HIS HB3 1.0 . 6.50 3257 2969 A 18 HIS H A 18 HIS HB3 1.0 . 6.06 3258 2970 A 18 HIS HB3 A 32 LEU HD2% 1.0 . 6.50 3259 2971 A 17 CYS HB2 A 18 HIS HB3 1.0 . 6.50 3260 2972 A 18 HIS HD2 A 18 HIS HB3 1.0 . 6.50 3261 2973 A 18 HIS HB3 A 18 HIS HA 1.0 . 6.50 3262 2974 A 18 HIS HB3 A 32 LEU HD1% 1.0 . 6.50 3263 2975 A 18 HIS HB3 A 19 THR H 1.0 . 6.50 3264 2976 A 18 HIS HB3 A 18 HIS HB2 1.0 . 4.78 3265 2977 A 18 HIS HB3 A 18 HIS HD1 1.0 . 6.50 3266 2978 A 71 PRO HB2 A 71 PRO HB3 1.0 . 4.73 3267 2979 A 71 PRO HB2 A 71 PRO HG3 1.0 . 6.32 3268 2980 A 71 PRO HB2 A 82 PHE H 1.0 . 6.50 3269 2981 A 71 PRO HB2 A 70 ASN HA 1.0 . 6.50 3270 2982 A 71 PRO HD2 A 71 PRO HB2 1.0 . 6.50 3271 2983 A 71 PRO HB2 A 80 MET HG2 1.0 . 6.50 3272 2984 A 72 LYS H A 71 PRO HB2 1.0 . 5.94 3273 2985 A 71 PRO HB2 A 80 MET HG3 1.0 . 6.50 3274 2986 A 71 PRO HB2 A 71 PRO HA 1.0 . 6.50 3275 2987 A 71 PRO HB2 A 72 LYS HB3 1.0 . 6.50 3276 2988 A 71 PRO HB2 A 71 PRO HG2 1.0 . 5.75 3277 2989 A 71 PRO HB2 A 72 LYS HA 1.0 . 6.50 3278 2990 A 71 PRO HB2 A 71 PRO HD3 1.0 . 6.50 3279 2991 A 20 VAL HG1% A 97 TYR HE2 1.0 . 6.50 3280 2992 A 20 VAL HG2% A 20 VAL HG1% 1.0 . 4.54 3281 2993 A 19 THR HB A 20 VAL HG1% 1.0 . 6.50 3282 2994 A 20 VAL HB A 20 VAL HG1% 1.0 . 5.17 3283 2995 A 20 VAL H A 20 VAL HG1% 1.0 . 6.50 3284 2996 A 20 VAL HG1% A 102 THR H 1.0 . 6.50 3285 2997 A 20 VAL HG1% A 32 LEU HB2 1.0 . 5.24 3286 2998 A 20 VAL HG1% A 102 THR HA 1.0 . 6.50 3287 2999 A 21 GLU HB3 A 20 VAL HG1% 1.0 . 6.50 3288 3000 A 21 GLU HA A 20 VAL HG1% 1.0 . 6.50 3289 3001 A 20 VAL HG1% A 102 THR HG2% 1.0 . 4.99 3290 3002 A 32 LEU HD1% A 20 VAL HG1% 1.0 . 5.51 3291 3003 A 98 LEU HD2% A 20 VAL HG1% 1.0 . 5.44 3292 3004 A 19 THR H A 20 VAL HG1% 1.0 . 6.50 3293 3005 A 20 VAL HG1% A 19 THR HA 1.0 . 6.50 3294 3006 A 98 LEU HA A 20 VAL HG1% 1.0 . 6.50 3295 3007 A 20 VAL HG1% A 20 VAL HA 1.0 . 5.26 3296 3008 A 21 GLU HB2 A 20 VAL HG1% 1.0 . 6.50 3297 3009 A 20 VAL HG1% A 10 PHE HD2 1.0 . 6.50 3298 3010 A 20 VAL HG1% A 101 ALA HB% 1.0 . 5.39 3299 3011 A 101 ALA H A 20 VAL HG1% 1.0 . 6.50 3300 3012 A 22 LYS HB2 A 21 GLU HG2 1.0 . 6.50 3301 3012 A 21 GLU HG3 A 22 LYS HB2 1.0 . 6.50 3302 3013 A 22 LYS HB2 A 22 LYS HE2 1.0 . 6.50 3303 3013 A 22 LYS HB2 A 22 LYS HE3 1.0 . 6.50 3304 3014 A 21 GLU HA A 22 LYS HB2 1.0 . 6.50 3305 3015 A 36 PHE HD% A 60 GLY HA2 1.0 . 6.50 3306 3016 A 63 THR H A 60 GLY HA2 1.0 . 6.50 3307 3017 A 60 GLY HA2 A 61 GLU H 1.0 . 6.50 3308 3018 A 60 GLY H A 60 GLY HA2 1.0 . 6.50 3309 3019 A 60 GLY HA2 A 59 TRP HA 1.0 . 6.50 3310 3020 A 36 PHE HE% A 60 GLY HA2 1.0 . 6.50 3311 3021 A 64 LEU HG A 60 GLY HA2 1.0 . 6.50 3312 3022 A 17 CYS HB3 A 18 HIS HA 1.0 . 6.50 3313 3023 A 17 CYS HA A 18 HIS HA 1.0 . 6.50 3314 3024 A 18 HIS H A 18 HIS HA 1.0 . 6.50 3315 3025 A 18 HIS HA A 32 LEU HD2% 1.0 . 6.50 3316 3026 A 18 HIS HA A 20 VAL H 1.0 . 6.50 3317 3027 A 18 HIS HB3 A 18 HIS HA 1.0 . 6.50 3318 3028 A 18 HIS HA A 32 LEU HD1% 1.0 . 6.50 3319 3029 A 18 HIS HA A 19 THR H 1.0 . 6.00 3320 3030 A 18 HIS HA A 18 HIS HB2 1.0 . 6.03 3321 3031 A 18 HIS HA A 18 HIS HD1 1.0 . 6.50 3322 3032 A 36 PHE HD% A 99 LYS HB2 1.0 . 6.50 3323 3033 A 99 LYS HB2 A 36 PHE HE% 1.0 . 5.97 3324 3034 A 32 LEU HD1% A 20 VAL HG2% 1.0 . 6.28 3325 3035 A 32 LEU HD1% A 32 LEU HB3 1.0 . 6.49 3326 3036 A 14 CYS HB2 A 32 LEU HD1% 1.0 . 6.50 3327 3037 A 32 LEU HD1% A 32 LEU HA 1.0 . 6.50 3328 3038 A 32 LEU HD1% A 32 LEU HB2 1.0 . 6.33 3329 3039 A 32 LEU HD1% A 35 LEU HD1% 1.0 . 6.50 3330 3040 A 32 LEU HD1% A 35 LEU H 1.0 . 6.50 3331 3041 A 32 LEU HD1% A 35 LEU HB2 1.0 . 6.50 3332 3042 A 32 LEU HD1% A 102 THR HG2% 1.0 . 6.45 3333 3043 A 18 HIS HB3 A 32 LEU HD1% 1.0 . 6.50 3334 3044 A 32 LEU HD1% A 20 VAL HG1% 1.0 . 5.81 3335 3045 A 18 HIS HA A 32 LEU HD1% 1.0 . 6.50 3336 3046 A 32 LEU HD1% A 98 LEU HD2% 1.0 . 6.09 3337 3047 A 32 LEU HD1% A 35 LEU HB3 1.0 . 6.50 3338 3048 A 32 LEU HD1% A 31 ASN HA 1.0 . 6.50 3339 3049 A 32 LEU HD1% A 32 LEU HG 1.0 . 5.62 3340 3050 A 32 LEU HD1% A 20 VAL HA 1.0 . 6.50 3341 3051 A 32 LEU HD1% A 14 CYS HB3 1.0 . 6.50 3342 3052 A 32 LEU HD1% A 32 LEU H 1.0 . 6.50 3343 3053 A 39 LYS HE3 A 39 LYS HG2 1.0 . 5.60 3344 3053 A 39 LYS HE2 A 39 LYS HG2 1.0 . 5.60 3345 3053 A 39 LYS HG3 A 39 LYS HE2 1.0 . 5.60 3346 3053 A 39 LYS HG3 A 39 LYS HE3 1.0 . 5.60 3347 3054 A 39 LYS HA A 39 LYS HG2 1.0 . 6.50 3348 3054 A 39 LYS HG3 A 39 LYS HA 1.0 . 6.50 3349 3055 A 27 LYS HE2 A 27 LYS HG2 1.0 . 6.24 3350 3055 A 27 LYS HE3 A 27 LYS HG2 1.0 . 6.24 3351 3055 A 27 LYS HG3 A 27 LYS HE2 1.0 . 6.24 3352 3055 A 27 LYS HG3 A 27 LYS HE3 1.0 . 6.24 3353 3056 A 27 LYS HD2 A 27 LYS HE2 1.0 . 6.50 3354 3056 A 27 LYS HD2 A 27 LYS HE3 1.0 . 6.50 3355 3057 A 27 LYS HB2 A 27 LYS HE2 1.0 . 6.50 3356 3057 A 27 LYS HB2 A 27 LYS HE3 1.0 . 6.50 3357 3058 A 26 HIS HA A 27 LYS HE2 1.0 . 6.50 3358 3058 A 26 HIS HA A 27 LYS HE3 1.0 . 6.50 3359 3059 A 27 LYS HD3 A 27 LYS HE2 1.0 . 6.32 3360 3059 A 27 LYS HE3 A 27 LYS HD3 1.0 . 6.32 3361 3060 A 27 LYS HA A 27 LYS HE2 1.0 . 6.50 3362 3060 A 27 LYS HE3 A 27 LYS HA 1.0 . 6.50 3363 3061 A 27 LYS HB3 A 27 LYS HE2 1.0 . 6.26 3364 3061 A 27 LYS HE3 A 27 LYS HB3 1.0 . 6.26 3365 3062 A 95 ILE HA A 96 ALA HA 1.0 . 6.50 3366 3063 A 99 LYS H A 96 ALA HA 1.0 . 6.50 3367 3064 A 96 ALA HA A 3 VAL HG2% 1.0 . 6.07 3368 3065 A 96 ALA HA A 2 ASP HA 1.0 . 6.50 3369 3066 A 96 ALA HA A 95 ILE H 1.0 . 6.50 3370 3067 A 4 GLU HG3 A 4 GLU HA 1.0 . 6.26 3371 3068 A 4 GLU HA A 3 VAL HB 1.0 . 5.53 3372 3069 A 4 GLU HB3 A 4 GLU HA 1.0 . 5.35 3373 3070 A 4 GLU HA A 7 LYS HB3 1.0 . 6.08 3374 3071 A 4 GLU HG2 A 4 GLU HA 1.0 . 6.50 3375 3072 A 4 GLU HA A 4 GLU HB2 1.0 . 6.12 3376 3073 A 3 VAL HG1% A 4 GLU HA 1.0 . 6.40 3377 3074 A 4 GLU HA A 4 GLU H 1.0 . 5.77 3378 3075 A 4 GLU HA A 7 LYS H 1.0 . 6.01 3379 3076 A 95 ILE HA A 95 ILE HG12 1.0 . 5.80 3380 3077 A 95 ILE H A 95 ILE HG12 1.0 . 5.74 3381 3078 A 13 LYS HB3 A 9 ILE HG2% 1.0 . 6.35 3382 3079 A 9 ILE HG12 A 9 ILE HG2% 1.0 . 5.96 3383 3080 A 12 MET H A 9 ILE HG2% 1.0 . 6.50 3384 3081 A 10 PHE H A 9 ILE HG2% 1.0 . 6.50 3385 3082 A 9 ILE HG2% A 8 LYS HB2 1.0 . 6.50 3386 3082 A 8 LYS HB3 A 9 ILE HG2% 1.0 . 6.50 3387 3083 A 9 ILE HB A 9 ILE HG2% 1.0 . 5.78 3388 3084 A 9 ILE HG2% A 8 LYS HA 1.0 . 6.50 3389 3085 A 13 LYS H A 9 ILE HG2% 1.0 . 6.50 3390 3086 A 9 ILE HG2% A 9 ILE HA 1.0 . 5.76 3391 3087 A 9 ILE HG2% A 9 ILE H 1.0 . 6.50 3392 3088 A 50 ALA HB% A 50 ALA HA 1.0 . 5.10 3393 3089 A 50 ALA HB% A 50 ALA H 1.0 . 6.50 3394 3090 A 50 ALA HB% A 42 GLN HE21 1.0 . 6.50 3395 3091 A 50 ALA HB% A 49 THR HA 1.0 . 6.50 3396 3092 A 50 ALA HB% A 54 ASN HD21 1.0 . 6.50 3397 3093 A 50 ALA HB% A 42 GLN H 1.0 . 6.50 3398 3094 A 98 LEU HB2 A 98 LEU HD2% 1.0 . 5.58 3399 3095 A 99 LYS H A 98 LEU HD2% 1.0 . 6.50 3400 3096 A 98 LEU HD2% A 97 TYR HA 1.0 . 6.50 3401 3097 A 98 LEU HD1% A 98 LEU HD2% 1.0 . 4.74 3402 3098 A 97 TYR HB3 A 98 LEU HD2% 1.0 . 6.50 3403 3099 A 98 LEU HD2% A 98 LEU HG 1.0 . 5.03 3404 3100 A 98 LEU HD2% A 97 TYR HD2 1.0 . 6.44 3405 3101 A 98 LEU H A 98 LEU HD2% 1.0 . 6.50 3406 3102 A 98 LEU HD2% A 97 TYR HB2 1.0 . 6.50 3407 3103 A 98 LEU HD2% A 10 PHE H 1.0 . 6.50 3408 3104 A 98 LEU HD2% A 97 TYR HD1 1.0 . 6.34 3409 3105 A 98 LEU HD2% A 20 VAL HG1% 1.0 . 5.63 3410 3106 A 32 LEU HD1% A 98 LEU HD2% 1.0 . 5.50 3411 3107 A 98 LEU HD2% A 98 LEU HA 1.0 . 4.79 3412 3108 A 98 LEU HD2% A 98 LEU HB3 1.0 . 5.41 3413 3109 A 59 TRP H A 58 ILE HG2% 1.0 . 6.50 3414 3110 A 58 ILE H A 58 ILE HG2% 1.0 . 6.50 3415 3111 A 58 ILE HG2% A 57 ILE HA 1.0 . 6.50 3416 3112 A 58 ILE HG2% A 39 LYS HA 1.0 . 6.50 3417 3113 A 58 ILE HA A 58 ILE HG2% 1.0 . 6.22 3418 3114 A 58 ILE HG2% A 58 ILE HG12 1.0 . 6.10 3419 3115 A 40 THR HA A 40 THR HG2% 1.0 . 6.50 3420 3116 A 40 THR HG2% A 39 LYS HA 1.0 . 6.50 3421 3117 A 59 TRP HD1 A 40 THR HG2% 1.0 . 6.50 3422 3118 A 40 THR HG2% A 38 ARG HG3 1.0 . 6.50 3423 3119 A 40 THR HG2% A 40 THR H 1.0 . 6.50 3424 3120 A 59 TRP HE1 A 40 THR HG2% 1.0 . 6.50 3425 3121 A 40 THR HG2% A 40 THR HB 1.0 . 6.06 3426 3122 A 40 THR HG2% A 42 GLN HE22 1.0 . 6.50 3427 3123 A 41 GLY H A 41 GLY HA2 1.0 . 6.50 3428 3124 A 41 GLY HA2 A 40 THR HB 1.0 . 6.50 3429 3125 A 41 GLY HA2 A 42 GLN H 1.0 . 6.50 3430 3126 A 66 GLU HG3 A 66 GLU HB2 1.0 . 6.50 3431 3127 A 59 TRP HZ3 A 66 GLU HG3 1.0 . 6.50 3432 3128 A 66 GLU HG3 A 66 GLU HB3 1.0 . 6.50 3433 3129 A 67 TYR HD% A 66 GLU HG3 1.0 . 6.50 3434 3130 A 65 MET HA A 66 GLU HG3 1.0 . 6.50 3435 3131 A 66 GLU H A 66 GLU HG3 1.0 . 6.50 3436 3132 A 66 GLU HG3 A 66 GLU HA 1.0 . 6.50 3437 3133 A 37 GLY H A 38 ARG HB2 1.0 . 6.50 3438 3133 A 37 GLY H A 38 ARG HB3 1.0 . 6.50 3439 3134 A 59 TRP HD1 A 38 ARG HB2 1.0 . 6.50 3440 3134 A 59 TRP HD1 A 38 ARG HB3 1.0 . 6.50 3441 3135 A 40 THR H A 38 ARG HB2 1.0 . 6.50 3442 3135 A 38 ARG HB3 A 40 THR H 1.0 . 6.50 3443 3136 A 96 ALA H A 94 LEU HB3 1.0 . 6.50 3444 3137 A 94 LEU H A 94 LEU HB3 1.0 . 6.23 3445 3138 A 94 LEU HB3 A 93 ASP H 1.0 . 6.47 3446 3139 A 94 LEU HA A 94 LEU HB3 1.0 . 6.50 3447 3140 A 94 LEU HB3 A 94 LEU HG 1.0 . 4.94 3448 3141 A 94 LEU HB3 A 6 GLY HA2 1.0 . 6.50 3449 3142 A 94 LEU HB3 A 94 LEU HD1% 1.0 . 5.18 3450 3142 A 94 LEU HB3 A 94 LEU HD2% 1.0 . 5.18 3451 3143 A 94 LEU HB3 A 93 ASP HB2 1.0 . 6.50 3452 3143 A 94 LEU HB3 A 93 ASP HB3 1.0 . 6.50 3453 3144 A 94 LEU HB3 A 95 ILE H 1.0 . 6.50 3454 3145 A 35 LEU HD2% A 35 LEU HB3 1.0 . 5.77 3455 3146 A 36 PHE HB2 A 35 LEU HB3 1.0 . 6.50 3456 3147 A 35 LEU HB3 A 32 LEU HD2% 1.0 . 6.50 3457 3148 A 36 PHE HD% A 35 LEU HB3 1.0 . 6.48 3458 3149 A 34 GLY H A 35 LEU HB3 1.0 . 6.50 3459 3150 A 35 LEU HA A 35 LEU HB3 1.0 . 6.37 3460 3151 A 35 LEU HD1% A 35 LEU HB3 1.0 . 5.55 3461 3152 A 35 LEU H A 35 LEU HB3 1.0 . 5.67 3462 3153 A 35 LEU HG A 35 LEU HB3 1.0 . 5.89 3463 3154 A 35 LEU HB2 A 35 LEU HB3 1.0 . 4.66 3464 3155 A 102 THR HG2% A 35 LEU HB3 1.0 . 6.39 3465 3156 A 34 GLY HA2 A 35 LEU HB3 1.0 . 6.50 3466 3157 A 32 LEU HD1% A 35 LEU HB3 1.0 . 6.50 3467 3158 A 38 ARG HG3 A 35 LEU HB3 1.0 . 6.50 3468 3159 A 35 LEU HB3 A 32 LEU HG 1.0 . 6.50 3469 3160 A 35 LEU HB3 A 102 THR HB 1.0 . 6.50 3470 3161 A 36 PHE HE% A 35 LEU HB3 1.0 . 6.50 3471 3162 A 72 LYS HB3 A 72 LYS HE2 1.0 . 6.50 3472 3162 A 72 LYS HE3 A 72 LYS HB3 1.0 . 6.50 3473 3163 A 72 LYS H A 72 LYS HB3 1.0 . 5.86 3474 3164 A 71 PRO HB2 A 72 LYS HB3 1.0 . 6.50 3475 3165 A 72 LYS HA A 72 LYS HB3 1.0 . 5.93 3476 3166 A 72 LYS HB3 A 71 PRO HD3 1.0 . 6.50 3477 3167 A 43 ALA HB% A 43 ALA HA 1.0 . 5.29 3478 3168 A 42 GLN HA A 43 ALA HB% 1.0 . 6.50 3479 3169 A 43 ALA HB% A 46 TYR HA 1.0 . 6.50 3480 3170 A 43 ALA H A 43 ALA HB% 1.0 . 6.31 3481 3171 A 46 TYR HD% A 43 ALA HB% 1.0 . 6.50 3482 3172 A 43 ALA HB% A 42 GLN HB3 1.0 . 6.50 3483 3173 A 43 ALA HB% A 46 TYR H 1.0 . 6.50 3484 3174 A 43 ALA HB% A 46 TYR HB2 1.0 . 6.50 3485 3174 A 43 ALA HB% A 46 TYR HB3 1.0 . 6.50 3486 3175 A 42 GLN H A 43 ALA HB% 1.0 . 6.50 3487 3176 A 59 TRP HE3 A 64 LEU HB2 1.0 . 6.50 3488 3177 A 64 LEU HA A 64 LEU HB2 1.0 . 6.50 3489 3178 A 64 LEU H A 64 LEU HB2 1.0 . 5.74 3490 3179 A 63 THR H A 64 LEU HB2 1.0 . 6.50 3491 3180 A 64 LEU HB2 A 64 LEU HD1% 1.0 . 6.24 3492 3180 A 64 LEU HD2% A 64 LEU HB2 1.0 . 6.24 3493 3181 A 64 LEU HB2 A 60 GLY HA2 1.0 . 6.50 3494 3182 A 60 GLY H A 64 LEU HB2 1.0 . 6.50 3495 3183 A 64 LEU HB2 A 63 THR HB 1.0 . 6.50 3496 3184 A 64 LEU HB3 A 64 LEU HB2 1.0 . 4.53 3497 3185 A 64 LEU HG A 64 LEU HB2 1.0 . 5.33 3498 3186 A 101 ALA HA A 100 LYS HB2 1.0 . 6.50 3499 3187 A 100 LYS HB2 A 101 ALA HB% 1.0 . 6.50 3500 3188 A 63 THR HA A 62 ASP HA 1.0 . 6.14 3501 3189 A 63 THR HG2% A 63 THR HA 1.0 . 4.96 3502 3190 A 64 LEU H A 63 THR HA 1.0 . 6.50 3503 3191 A 63 THR H A 63 THR HA 1.0 . 6.23 3504 3192 A 59 TRP HZ3 A 63 THR HA 1.0 . 6.50 3505 3193 A 63 THR HA A 63 THR HB 1.0 . 5.74 3506 3194 A 63 THR HA A 66 GLU H 1.0 . 6.50 3507 3195 A 13 LYS HB3 A 13 LYS HA 1.0 . 5.51 3508 3196 A 13 LYS HA A 13 LYS HE3 1.0 . 6.50 3509 3197 A 82 PHE HE% A 13 LYS HA 1.0 . 6.50 3510 3198 A 13 LYS HA A 13 LYS HG3 1.0 . 5.87 3511 3199 A 13 LYS HA A 12 MET H 1.0 . 6.50 3512 3200 A 13 LYS HA A 13 LYS HD2 1.0 . 5.32 3513 3200 A 13 LYS HD3 A 13 LYS HA 1.0 . 5.32 3514 3201 A 12 MET HA A 13 LYS HA 1.0 . 6.50 3515 3202 A 13 LYS HB2 A 13 LYS HA 1.0 . 5.83 3516 3203 A 13 LYS HA A 13 LYS H 1.0 . 6.22 3517 3204 A 13 LYS HA A 13 LYS HE2 1.0 . 6.50 3518 3205 A 15 SER H A 13 LYS HA 1.0 . 6.50 3519 3206 A 13 LYS HA A 13 LYS HG2 1.0 . 6.10 3520 3207 A 2 ASP HB3 A 2 ASP HB2 1.0 . 4.12 3521 3208 A 5 LYS H A 2 ASP HB2 1.0 . 6.50 3522 3209 A 100 LYS HB2 A 2 ASP HB2 1.0 . 6.50 3523 3210 A 2 ASP HB2 A 4 GLU H 1.0 . 6.50 3524 3211 A 2 ASP HB2 A 2 ASP HA 1.0 . 5.60 3525 3212 A 2 ASP H A 2 ASP HB2 1.0 . 6.50 3526 3213 A 74 TYR H A 73 LYS HG2 1.0 . 6.50 3527 3213 A 74 TYR H A 73 LYS HG3 1.0 . 6.50 3528 3214 A 73 LYS HA A 73 LYS HG2 1.0 . 6.50 3529 3214 A 73 LYS HA A 73 LYS HG3 1.0 . 6.50 3530 3215 A 72 LYS HA A 73 LYS HG2 1.0 . 6.50 3531 3215 A 73 LYS HG3 A 72 LYS HA 1.0 . 6.50 3532 3216 A 70 ASN HD21 A 73 LYS HG2 1.0 . 6.50 3533 3216 A 73 LYS HG3 A 70 ASN HD21 1.0 . 6.50 3534 3217 A 89 GLU H A 87 LYS HG3 1.0 . 6.50 3535 3218 A 87 LYS HA A 87 LYS HG3 1.0 . 6.50 3536 3219 A 87 LYS HG3 A 87 LYS H 1.0 . 6.50 3537 3220 A 87 LYS HG3 A 87 LYS HE2 1.0 . 6.32 3538 3220 A 87 LYS HE3 A 87 LYS HG3 1.0 . 6.32 3539 3221 A 90 GLU H A 87 LYS HG3 1.0 . 6.50 3540 3222 A 94 LEU HG A 10 PHE HB2 1.0 . 6.50 3541 3223 A 94 LEU HG A 10 PHE HB3 1.0 . 6.50 3542 3224 A 94 LEU HG A 93 ASP HB2 1.0 . 6.50 3543 3224 A 93 ASP HB3 A 94 LEU HG 1.0 . 6.50 3544 3225 A 94 LEU HB2 A 94 LEU HG 1.0 . 5.60 3545 3226 A 94 LEU HG A 9 ILE H 1.0 . 6.50 3546 3227 A 31 ASN HA A 32 LEU HD2% 1.0 . 6.50 3547 3228 A 31 ASN HD21 A 31 ASN HA 1.0 . 6.50 3548 3229 A 31 ASN HB3 A 31 ASN HA 1.0 . 6.50 3549 3230 A 31 ASN HA A 33 HIS H 1.0 . 6.50 3550 3231 A 32 LEU HD1% A 31 ASN HA 1.0 . 6.50 3551 3232 A 31 ASN HD22 A 31 ASN HA 1.0 . 5.80 3552 3233 A 19 THR H A 31 ASN HA 1.0 . 6.50 3553 3234 A 31 ASN HA A 31 ASN HB2 1.0 . 6.50 3554 3235 A 76 PRO HA A 76 PRO HB3 1.0 . 6.50 3555 3236 A 76 PRO HD2 A 76 PRO HB3 1.0 . 6.50 3556 3237 A 99 LYS HA A 99 LYS HD3 1.0 . 6.50 3557 3238 A 99 LYS HD3 A 99 LYS HE2 1.0 . 6.24 3558 3238 A 99 LYS HE3 A 99 LYS HD3 1.0 . 6.24 3559 3239 A 99 LYS HG2 A 99 LYS HD3 1.0 . 6.05 3560 3240 A 99 LYS HD3 A 99 LYS HG3 1.0 . 5.98 3561 3241 A 82 PHE HE% A 84 GLY HA2 1.0 . 6.50 3562 3242 A 71 PRO HG2 A 84 GLY HA2 1.0 . 6.50 3563 3243 A 84 GLY HA2 A 84 GLY HA3 1.0 . 5.00 3564 3244 A 85 ILE HB A 84 GLY HA2 1.0 . 6.50 3565 3245 A 82 PHE HD% A 84 GLY HA2 1.0 . 6.50 3566 3246 A 85 ILE H A 84 GLY HA2 1.0 . 5.78 3567 3247 A 84 GLY HA2 A 85 ILE HD1% 1.0 . 6.50 3568 3248 A 89 GLU H A 89 GLU HA 1.0 . 5.92 3569 3249 A 88 LYS HA A 89 GLU HA 1.0 . 6.50 3570 3250 A 89 GLU HG2 A 89 GLU HA 1.0 . 6.14 3571 3251 A 90 GLU H A 89 GLU HA 1.0 . 6.50 3572 3252 A 89 GLU HA A 92 ALA H 1.0 . 6.38 3573 3253 A 89 GLU HA A 89 GLU HG3 1.0 . 5.85 3574 3254 A 68 LEU H A 65 MET HA 1.0 . 6.50 3575 3255 A 65 MET H A 65 MET HA 1.0 . 6.50 3576 3256 A 68 LEU HB3 A 65 MET HA 1.0 . 6.38 3577 3257 A 95 ILE HD1% A 65 MET HA 1.0 . 5.75 3578 3258 A 65 MET HA A 69 GLU H 1.0 . 6.50 3579 3259 A 17 CYS HB3 A 28 THR HG2% 1.0 . 6.50 3580 3260 A 18 HIS H A 28 THR HG2% 1.0 . 6.44 3581 3261 A 28 THR HG2% A 28 THR HA 1.0 . 6.00 3582 3262 A 17 CYS HB2 A 28 THR HG2% 1.0 . 6.50 3583 3263 A 28 THR HG2% A 29 GLY H 1.0 . 6.50 3584 3264 A 28 THR HG2% A 29 GLY HA2 1.0 . 6.50 3585 3265 A 28 THR HG2% A 29 GLY HA3 1.0 . 6.50 3586 3266 A 28 THR HG2% A 28 THR HB 1.0 . 5.63 3587 3267 A 28 THR HG2% A 80 MET HA 1.0 . 6.50 3588 3268 A 79 LYS HA A 79 LYS HD3 1.0 . 6.50 3589 3269 A 79 LYS HE2 A 79 LYS HD3 1.0 . 6.50 3590 3270 A 85 ILE HG13 A 85 ILE HG12 1.0 . 4.75 3591 3271 A 82 PHE HE% A 85 ILE HG13 1.0 . 6.50 3592 3272 A 85 ILE HG2% A 85 ILE HG13 1.0 . 5.59 3593 3273 A 85 ILE HG13 A 84 GLY HA3 1.0 . 6.50 3594 3274 A 85 ILE HB A 85 ILE HG13 1.0 . 5.43 3595 3275 A 85 ILE H A 85 ILE HG13 1.0 . 6.50 3596 3276 A 85 ILE HA A 85 ILE HG13 1.0 . 6.50 3597 3277 A 85 ILE HG13 A 85 ILE HD1% 1.0 . 5.77 3598 3278 A 70 ASN HA A 70 ASN HB2 1.0 . 6.50 3599 3278 A 70 ASN HA A 70 ASN HB3 1.0 . 6.50 3600 3279 A 69 GLU HB3 A 70 ASN HB2 1.0 . 6.50 3601 3279 A 70 ASN HB3 A 69 GLU HB3 1.0 . 6.50 3602 3280 A 69 GLU HB2 A 70 ASN HB2 1.0 . 6.50 3603 3280 A 70 ASN HB3 A 69 GLU HB2 1.0 . 6.50 3604 3281 A 70 ASN HD22 A 70 ASN HB2 1.0 . 6.50 3605 3281 A 70 ASN HD22 A 70 ASN HB3 1.0 . 6.50 3606 3282 A 70 ASN H A 70 ASN HB2 1.0 . 6.50 3607 3282 A 70 ASN H A 70 ASN HB3 1.0 . 6.50 3608 3283 A 70 ASN HB3 A 73 LYS HG2 1.0 . 6.50 3609 3283 A 70 ASN HB2 A 73 LYS HG2 1.0 . 6.50 3610 3283 A 73 LYS HG3 A 70 ASN HB2 1.0 . 6.50 3611 3283 A 73 LYS HG3 A 70 ASN HB3 1.0 . 6.50 3612 3284 A 70 ASN HB2 A 73 LYS HB2 1.0 . 5.91 3613 3284 A 70 ASN HB3 A 73 LYS HB2 1.0 . 5.91 3614 3284 A 73 LYS HB3 A 70 ASN HB2 1.0 . 5.91 3615 3284 A 73 LYS HB3 A 70 ASN HB3 1.0 . 5.91 3616 3285 A 69 GLU H A 70 ASN HB2 1.0 . 6.50 3617 3285 A 69 GLU H A 70 ASN HB3 1.0 . 6.50 3618 3286 A 70 ASN HD21 A 70 ASN HB2 1.0 . 6.50 3619 3286 A 70 ASN HB3 A 70 ASN HD21 1.0 . 6.50 3620 3287 A 75 ILE HD1% A 75 ILE HA 1.0 . 6.50 3621 3288 A 74 TYR HB2 A 75 ILE HD1% 1.0 . 6.50 3622 3289 A 74 TYR H A 75 ILE HD1% 1.0 . 6.50 3623 3290 A 74 TYR HD% A 75 ILE HD1% 1.0 . 6.06 3624 3291 A 75 ILE HB A 75 ILE HD1% 1.0 . 4.88 3625 3292 A 74 TYR HA A 75 ILE HD1% 1.0 . 6.50 3626 3293 A 75 ILE H A 75 ILE HD1% 1.0 . 6.50 3627 3294 A 19 THR HB A 19 THR HG2% 1.0 . 5.35 3628 3295 A 20 VAL H A 19 THR HG2% 1.0 . 6.50 3629 3296 A 19 THR H A 19 THR HG2% 1.0 . 6.50 3630 3297 A 19 THR HG2% A 19 THR HA 1.0 . 5.75 3631 3298 A 25 LYS H A 19 THR HG2% 1.0 . 6.50 3632 3299 A 11 ILE HD1% A 7 LYS HA 1.0 . 6.50 3633 3300 A 11 ILE HA A 11 ILE HD1% 1.0 . 6.50 3634 3301 A 8 LYS H A 11 ILE HD1% 1.0 . 6.50 3635 3302 A 11 ILE HD1% A 8 LYS HA 1.0 . 6.50 3636 3303 A 11 ILE HD1% A 11 ILE H 1.0 . 6.50 3637 3304 A 11 ILE HD1% A 7 LYS H 1.0 . 6.50 3638 3305 A 5 LYS H A 4 GLU HB2 1.0 . 6.40 3639 3306 A 4 GLU HA A 4 GLU HB2 1.0 . 5.71 3640 3307 A 4 GLU HB2 A 4 GLU H 1.0 . 5.99 3641 3308 A 58 ILE HB A 63 THR HB 1.0 . 6.50 3642 3309 A 59 TRP HE3 A 63 THR HB 1.0 . 6.50 3643 3310 A 64 LEU H A 63 THR HB 1.0 . 6.50 3644 3311 A 63 THR H A 63 THR HB 1.0 . 6.50 3645 3312 A 59 TRP HZ3 A 63 THR HB 1.0 . 6.35 3646 3313 A 60 GLY H A 63 THR HB 1.0 . 6.50 3647 3314 A 63 THR HB A 66 GLU H 1.0 . 6.50 3648 3315 A 64 LEU HB3 A 59 TRP HE3 1.0 . 6.50 3649 3316 A 64 LEU HA A 64 LEU HB3 1.0 . 6.40 3650 3317 A 64 LEU HB3 A 64 LEU H 1.0 . 6.34 3651 3318 A 64 LEU HB3 A 63 THR H 1.0 . 6.50 3652 3319 A 64 LEU HB3 A 64 LEU HD1% 1.0 . 5.74 3653 3319 A 64 LEU HD2% A 64 LEU HB3 1.0 . 5.74 3654 3320 A 64 LEU HB3 A 60 GLY H 1.0 . 6.50 3655 3321 A 64 LEU HB3 A 64 LEU HB2 1.0 . 4.47 3656 3322 A 64 LEU HB3 A 63 THR HA 1.0 . 6.50 3657 3323 A 64 LEU HB3 A 63 THR HB 1.0 . 6.50 3658 3324 A 95 ILE HD1% A 64 LEU HB3 1.0 . 5.23 3659 3325 A 64 LEU HB3 A 64 LEU HG 1.0 . 5.58 3660 3326 A 71 PRO HB3 A 71 PRO HG2 1.0 . 5.76 3661 3327 A 71 PRO HG3 A 71 PRO HG2 1.0 . 5.13 3662 3328 A 70 ASN HA A 71 PRO HG2 1.0 . 6.50 3663 3329 A 71 PRO HD2 A 71 PRO HG2 1.0 . 6.50 3664 3330 A 80 MET HG2 A 71 PRO HG2 1.0 . 6.50 3665 3331 A 82 PHE HA A 71 PRO HG2 1.0 . 6.50 3666 3332 A 72 LYS H A 71 PRO HG2 1.0 . 6.50 3667 3333 A 71 PRO HG2 A 80 MET HG3 1.0 . 6.09 3668 3334 A 71 PRO HA A 71 PRO HG2 1.0 . 6.50 3669 3335 A 71 PRO HG2 A 84 GLY HA2 1.0 . 6.50 3670 3336 A 71 PRO HG2 A 84 GLY HA3 1.0 . 6.50 3671 3337 A 71 PRO HG2 A 71 PRO HD3 1.0 . 6.50 3672 3338 A 71 PRO HG2 A 80 MET HB3 1.0 . 6.50 3673 3339 A 73 LYS HD3 A 73 LYS HE2 1.0 . 6.50 3674 3339 A 73 LYS HD2 A 73 LYS HE2 1.0 . 6.50 3675 3339 A 73 LYS HE3 A 73 LYS HD2 1.0 . 6.50 3676 3339 A 73 LYS HD3 A 73 LYS HE3 1.0 . 6.50 3677 3340 A 73 LYS H A 73 LYS HE2 1.0 . 6.50 3678 3340 A 73 LYS H A 73 LYS HE3 1.0 . 6.50 3679 3341 A 73 LYS HE3 A 73 LYS HG2 1.0 . 5.40 3680 3341 A 73 LYS HE2 A 73 LYS HG2 1.0 . 5.40 3681 3341 A 73 LYS HG3 A 73 LYS HE2 1.0 . 5.40 3682 3341 A 73 LYS HG3 A 73 LYS HE3 1.0 . 5.40 3683 3342 A 73 LYS HB3 A 73 LYS HE2 1.0 . 5.62 3684 3342 A 73 LYS HB2 A 73 LYS HE2 1.0 . 5.62 3685 3342 A 73 LYS HE3 A 73 LYS HB2 1.0 . 5.62 3686 3342 A 73 LYS HE3 A 73 LYS HB3 1.0 . 5.62 3687 3343 A 16 GLN HG2 A 16 GLN HB2 1.0 . 6.30 3688 3344 A 17 CYS H A 16 GLN HB2 1.0 . 6.50 3689 3345 A 16 GLN HB2 A 15 SER HB2 1.0 . 6.50 3690 3346 A 16 GLN HG3 A 16 GLN HB2 1.0 . 5.94 3691 3347 A 16 GLN HA A 16 GLN HB2 1.0 . 5.83 3692 3348 A 12 MET HB2 A 12 MET HG2 1.0 . 6.17 3693 3349 A 14 CYS H A 12 MET HG2 1.0 . 6.50 3694 3350 A 12 MET H A 12 MET HG2 1.0 . 6.50 3695 3351 A 12 MET HA A 12 MET HG2 1.0 . 6.50 3696 3352 A 13 LYS H A 12 MET HG2 1.0 . 6.50 3697 3353 A 12 MET HB3 A 12 MET HG2 1.0 . 6.36 3698 3354 A 6 GLY HA2 A 9 ILE HD1% 1.0 . 5.51 3699 3355 A 94 LEU H A 6 GLY HA2 1.0 . 6.50 3700 3356 A 6 GLY HA2 A 5 LYS HA 1.0 . 6.50 3701 3357 A 97 TYR HB3 A 6 GLY HA2 1.0 . 6.50 3702 3358 A 6 GLY HA2 A 10 PHE H 1.0 . 6.50 3703 3359 A 9 ILE HB A 6 GLY HA2 1.0 . 6.39 3704 3360 A 6 GLY HA2 A 97 TYR HD1 1.0 . 6.50 3705 3361 A 94 LEU HB3 A 6 GLY HA2 1.0 . 6.50 3706 3362 A 6 GLY HA2 A 93 ASP HB2 1.0 . 6.41 3707 3362 A 93 ASP HB3 A 6 GLY HA2 1.0 . 6.41 3708 3363 A 6 GLY HA2 A 7 LYS H 1.0 . 6.33 3709 3364 A 94 LEU HB2 A 6 GLY HA2 1.0 . 6.50 3710 3365 A 6 GLY HA2 A 6 GLY H 1.0 . 6.24 3711 3366 A 6 GLY HA2 A 9 ILE H 1.0 . 6.50 3712 3367 A 6 GLY HA2 A 5 LYS HB2 1.0 . 6.50 3713 3367 A 6 GLY HA2 A 5 LYS HB3 1.0 . 6.50 3714 3368 A 20 VAL HG2% A 19 THR HA 1.0 . 6.50 3715 3369 A 20 VAL HG1% A 19 THR HA 1.0 . 6.50 3716 3370 A 19 THR H A 19 THR HA 1.0 . 5.10 3717 3371 A 8 LYS HA A 8 LYS HG2 1.0 . 6.50 3718 3372 A 8 LYS HA A 7 LYS HB3 1.0 . 6.38 3719 3373 A 12 MET H A 8 LYS HA 1.0 . 6.50 3720 3374 A 8 LYS H A 8 LYS HA 1.0 . 6.11 3721 3375 A 11 ILE HD1% A 8 LYS HA 1.0 . 6.50 3722 3376 A 8 LYS HA A 8 LYS HD2 1.0 . 6.50 3723 3376 A 8 LYS HA A 8 LYS HD3 1.0 . 6.50 3724 3377 A 8 LYS HA A 11 ILE H 1.0 . 5.69 3725 3378 A 8 LYS HA A 8 LYS HG3 1.0 . 6.50 3726 3379 A 8 LYS HA A 7 LYS HB2 1.0 . 6.50 3727 3380 A 8 LYS HA A 9 ILE H 1.0 . 6.50 3728 3381 A 32 LEU HB3 A 32 LEU HG 1.0 . 5.89 3729 3382 A 32 LEU HA A 32 LEU HG 1.0 . 6.50 3730 3383 A 32 LEU HD2% A 32 LEU HG 1.0 . 5.56 3731 3384 A 32 LEU HB2 A 32 LEU HG 1.0 . 6.50 3732 3385 A 35 LEU HB2 A 32 LEU HG 1.0 . 6.50 3733 3386 A 32 LEU HD1% A 32 LEU HG 1.0 . 5.54 3734 3387 A 35 LEU HB3 A 32 LEU HG 1.0 . 6.50 3735 3388 A 32 LEU H A 32 LEU HG 1.0 . 6.37 3736 3389 A 39 LYS HB3 A 39 LYS HE2 1.0 . 6.50 3737 3389 A 39 LYS HB3 A 39 LYS HE3 1.0 . 6.50 3738 3390 A 39 LYS H A 39 LYS HB3 1.0 . 6.06 3739 3391 A 39 LYS HB3 A 42 GLN HG2 1.0 . 6.50 3740 3392 A 39 LYS HB3 A 39 LYS HA 1.0 . 6.50 3741 3393 A 39 LYS HB3 A 38 ARG HB2 1.0 . 6.50 3742 3393 A 38 ARG HB3 A 39 LYS HB3 1.0 . 6.50 3743 3394 A 40 THR H A 39 LYS HB3 1.0 . 6.50 3744 3395 A 39 LYS HB3 A 54 ASN HD21 1.0 . 6.50 3745 3396 A 39 LYS HB3 A 38 ARG HA 1.0 . 6.50 3746 3397 A 27 LYS H A 27 LYS HD3 1.0 . 6.50 3747 3398 A 26 HIS HA A 27 LYS HD3 1.0 . 6.50 3748 3399 A 27 LYS HD3 A 27 LYS HE2 1.0 . 6.20 3749 3399 A 27 LYS HE3 A 27 LYS HD3 1.0 . 6.20 3750 3400 A 27 LYS HD3 A 27 LYS HA 1.0 . 6.50 3751 3401 A 22 LYS HA A 22 LYS HG3 1.0 . 6.11 3752 3402 A 22 LYS HG3 A 21 GLU HG2 1.0 . 6.16 3753 3402 A 21 GLU HG3 A 22 LYS HG3 1.0 . 6.16 3754 3403 A 22 LYS HG3 A 22 LYS HE2 1.0 . 6.50 3755 3403 A 22 LYS HG3 A 22 LYS HE3 1.0 . 6.50 3756 3404 A 21 GLU HA A 22 LYS HG3 1.0 . 6.50 3757 3405 A 22 LYS HG3 A 22 LYS H 1.0 . 6.50 3758 3406 A 98 LEU HB2 A 98 LEU HA 1.0 . 6.25 3759 3407 A 98 LEU HA A 97 TYR HA 1.0 . 6.50 3760 3408 A 98 LEU HA A 102 THR H 1.0 . 6.50 3761 3409 A 98 LEU HD1% A 98 LEU HA 1.0 . 6.50 3762 3410 A 97 TYR HB3 A 98 LEU HA 1.0 . 6.50 3763 3411 A 100 LYS H A 98 LEU HA 1.0 . 6.50 3764 3412 A 98 LEU HA A 98 LEU HG 1.0 . 6.03 3765 3413 A 98 LEU HA A 97 TYR HD2 1.0 . 6.50 3766 3414 A 98 LEU H A 98 LEU HA 1.0 . 5.78 3767 3415 A 98 LEU HA A 97 TYR HB2 1.0 . 6.50 3768 3416 A 98 LEU HA A 102 THR HG2% 1.0 . 5.57 3769 3417 A 98 LEU HA A 20 VAL HG1% 1.0 . 6.50 3770 3418 A 98 LEU HD2% A 98 LEU HA 1.0 . 5.10 3771 3419 A 98 LEU HA A 98 LEU HB3 1.0 . 5.53 3772 3420 A 98 LEU HA A 101 ALA HB% 1.0 . 5.43 3773 3421 A 98 LEU HA A 101 ALA H 1.0 . 6.50 3774 3422 A 78 THR HG2% A 72 LYS HA 1.0 . 5.44 3775 3423 A 72 LYS HA A 71 PRO HB3 1.0 . 6.50 3776 3424 A 72 LYS HA A 72 LYS HE2 1.0 . 6.50 3777 3424 A 72 LYS HE3 A 72 LYS HA 1.0 . 6.50 3778 3425 A 72 LYS HA A 72 LYS HB2 1.0 . 6.50 3779 3426 A 72 LYS HG3 A 72 LYS HA 1.0 . 6.50 3780 3427 A 72 LYS H A 72 LYS HA 1.0 . 6.26 3781 3428 A 72 LYS HA A 72 LYS HD2 1.0 . 6.50 3782 3428 A 72 LYS HA A 72 LYS HD3 1.0 . 6.50 3783 3429 A 71 PRO HB2 A 72 LYS HA 1.0 . 6.50 3784 3430 A 72 LYS HA A 72 LYS HB3 1.0 . 6.39 3785 3431 A 72 LYS HA A 75 ILE H 1.0 . 6.50 3786 3432 A 72 LYS HA A 72 LYS HG2 1.0 . 6.50 3787 3433 A 9 ILE HA A 9 ILE HG13 1.0 . 6.50 3788 3434 A 9 ILE H A 9 ILE HG13 1.0 . 6.50 3789 3435 A 59 TRP H A 58 ILE HG12 1.0 . 6.50 3790 3436 A 58 ILE HG12 A 57 ILE HA 1.0 . 6.50 3791 3437 A 58 ILE HA A 58 ILE HG12 1.0 . 6.50 3792 3438 A 104 GLU H A 104 GLU HB3 1.0 . 6.50 3793 3439 A 103 ASN H A 104 GLU HB3 1.0 . 6.50 3794 3440 A 3 VAL HG1% A 3 VAL HB 1.0 . 4.69 3795 3441 A 3 VAL HG1% A 97 TYR HA 1.0 . 5.57 3796 3442 A 100 LYS H A 3 VAL HG1% 1.0 . 6.50 3797 3443 A 3 VAL HG1% A 2 ASP HB3 1.0 . 6.50 3798 3444 A 3 VAL HG1% A 5 LYS H 1.0 . 6.50 3799 3445 A 3 VAL HG1% A 3 VAL HA 1.0 . 5.25 3800 3446 A 3 VAL HG1% A 6 GLY HA3 1.0 . 5.75 3801 3447 A 3 VAL HG1% A 97 TYR HD1 1.0 . 6.05 3802 3448 A 3 VAL HG1% A 4 GLU HA 1.0 . 6.50 3803 3449 A 3 VAL HG1% A 3 VAL H 1.0 . 5.61 3804 3450 A 3 VAL HG1% A 4 GLU H 1.0 . 6.50 3805 3451 A 3 VAL HG1% A 2 ASP HA 1.0 . 6.36 3806 3452 A 27 LYS HA A 27 LYS HG2 1.0 . 6.50 3807 3452 A 27 LYS HG3 A 27 LYS HA 1.0 . 6.50 3808 3453 A 27 LYS H A 27 LYS HA 1.0 . 6.50 3809 3454 A 27 LYS HB2 A 27 LYS HA 1.0 . 6.50 3810 3455 A 27 LYS HA A 26 HIS H 1.0 . 6.50 3811 3456 A 27 LYS HA A 27 LYS HE2 1.0 . 6.50 3812 3456 A 27 LYS HE3 A 27 LYS HA 1.0 . 6.50 3813 3457 A 27 LYS HD3 A 27 LYS HA 1.0 . 6.50 3814 3458 A 27 LYS HA A 27 LYS HB3 1.0 . 6.50 3815 3459 A 42 GLN HA A 42 GLN HB3 1.0 . 6.48 3816 3460 A 42 GLN HE21 A 42 GLN HB3 1.0 . 6.50 3817 3461 A 42 GLN H A 42 GLN HB3 1.0 . 6.50 3818 3462 A 65 MET HB3 A 65 MET HG3 1.0 . 6.50 3819 3463 A 65 MET H A 65 MET HG3 1.0 . 6.50 3820 3464 A 65 MET HA A 65 MET HG3 1.0 . 6.50 3821 3465 A 95 ILE HD1% A 65 MET HG3 1.0 . 6.50 3822 3466 A 65 MET HG3 A 65 MET HB2 1.0 . 6.01 3823 3467 A 96 ALA H A 93 ASP HB2 1.0 . 6.50 3824 3467 A 96 ALA H A 93 ASP HB3 1.0 . 6.50 3825 3468 A 9 ILE HD1% A 93 ASP HB2 1.0 . 5.66 3826 3468 A 93 ASP HB3 A 9 ILE HD1% 1.0 . 5.66 3827 3469 A 92 ALA HB% A 93 ASP HB2 1.0 . 6.06 3828 3469 A 93 ASP HB3 A 92 ALA HB% 1.0 . 6.06 3829 3470 A 5 LYS H A 93 ASP HB2 1.0 . 5.61 3830 3470 A 93 ASP HB3 A 5 LYS H 1.0 . 5.61 3831 3471 A 92 ALA HA A 93 ASP HB2 1.0 . 6.50 3832 3471 A 93 ASP HB3 A 92 ALA HA 1.0 . 6.50 3833 3472 A 6 GLY HA3 A 93 ASP HB2 1.0 . 6.50 3834 3472 A 93 ASP HB3 A 6 GLY HA3 1.0 . 6.50 3835 3473 A 6 GLY HA2 A 93 ASP HB2 1.0 . 6.33 3836 3473 A 93 ASP HB3 A 6 GLY HA2 1.0 . 6.33 3837 3474 A 92 ALA H A 93 ASP HB2 1.0 . 6.50 3838 3474 A 93 ASP HB3 A 92 ALA H 1.0 . 6.50 3839 3475 A 6 GLY H A 93 ASP HB2 1.0 . 6.50 3840 3475 A 93 ASP HB3 A 6 GLY H 1.0 . 6.50 3841 3476 A 2 ASP H A 93 ASP HB2 1.0 . 6.50 3842 3476 A 93 ASP HB3 A 2 ASP H 1.0 . 6.50 3843 3477 A 9 ILE H A 93 ASP HB2 1.0 . 6.50 3844 3477 A 93 ASP HB3 A 9 ILE H 1.0 . 6.50 3845 3478 A 14 CYS HB2 A 14 CYS HA 1.0 . 5.83 3846 3479 A 14 CYS HA A 82 PHE HE% 1.0 . 6.50 3847 3480 A 14 CYS HA A 14 CYS H 1.0 . 6.50 3848 3481 A 18 HIS HD2 A 14 CYS HA 1.0 . 6.50 3849 3482 A 14 CYS HA A 13 LYS HB2 1.0 . 6.50 3850 3483 A 14 CYS HA A 13 LYS HA 1.0 . 6.50 3851 3484 A 14 CYS HA A 13 LYS H 1.0 . 6.50 3852 3485 A 14 CYS HA A 14 CYS HB3 1.0 . 6.30 3853 3486 A 71 PRO HG3 A 82 PHE HB2 1.0 . 6.50 3854 3487 A 80 MET HG2 A 82 PHE HB2 1.0 . 6.50 3855 3488 A 82 PHE HA A 82 PHE HB2 1.0 . 6.05 3856 3489 A 82 PHE HB2 A 80 MET HG3 1.0 . 6.43 3857 3490 A 100 LYS H A 100 LYS HD2 1.0 . 6.48 3858 3490 A 100 LYS H A 100 LYS HD3 1.0 . 6.48 3859 3491 A 100 LYS HD2 A 100 LYS HE2 1.0 . 5.80 3860 3491 A 100 LYS HD3 A 100 LYS HE2 1.0 . 5.80 3861 3491 A 100 LYS HE3 A 100 LYS HD2 1.0 . 5.80 3862 3491 A 100 LYS HE3 A 100 LYS HD3 1.0 . 5.80 3863 3492 A 35 LEU HD2% A 38 ARG HD3 1.0 . 6.50 3864 3493 A 38 ARG HG2 A 38 ARG HD3 1.0 . 5.95 3865 3494 A 38 ARG HD2 A 38 ARG HD3 1.0 . 4.83 3866 3495 A 59 TRP HD1 A 38 ARG HD3 1.0 . 6.50 3867 3496 A 38 ARG HD3 A 38 ARG HB2 1.0 . 6.05 3868 3496 A 38 ARG HB3 A 38 ARG HD3 1.0 . 6.05 3869 3497 A 38 ARG HG3 A 38 ARG HD3 1.0 . 5.78 3870 3498 A 40 THR H A 38 ARG HD3 1.0 . 6.50 3871 3499 A 38 ARG H A 38 ARG HD3 1.0 . 6.50 3872 3500 A 38 ARG HA A 38 ARG HD3 1.0 . 6.50 3873 3501 A 55 LYS HB2 A 55 LYS HA 1.0 . 6.50 3874 3502 A 54 ASN HA A 55 LYS HA 1.0 . 6.50 3875 3503 A 55 LYS HA A 54 ASN HB2 1.0 . 6.50 3876 3503 A 54 ASN HB3 A 55 LYS HA 1.0 . 6.50 3877 3504 A 55 LYS HB3 A 55 LYS HA 1.0 . 5.75 3878 3505 A 55 LYS H A 55 LYS HA 1.0 . 6.50 3879 3506 A 55 LYS HA A 55 LYS HG2 1.0 . 5.81 3880 3506 A 55 LYS HA A 55 LYS HG3 1.0 . 5.81 3881 3507 A 94 LEU H A 91 ARG HA 1.0 . 6.50 3882 3508 A 91 ARG HA A 91 ARG HB3 1.0 . 6.32 3883 3509 A 91 ARG HA A 93 ASP H 1.0 . 6.50 3884 3510 A 91 ARG HA A 91 ARG HB2 1.0 . 6.50 3885 3511 A 91 ARG HA A 91 ARG HG2 1.0 . 6.28 3886 3512 A 85 ILE HG2% A 91 ARG HA 1.0 . 5.70 3887 3513 A 90 GLU H A 91 ARG HA 1.0 . 6.50 3888 3514 A 91 ARG H A 91 ARG HA 1.0 . 6.50 3889 3515 A 95 ILE H A 91 ARG HA 1.0 . 6.50 3890 3516 A 79 LYS HB2 A 79 LYS HG3 1.0 . 6.50 3891 3517 A 79 LYS HA A 79 LYS HG3 1.0 . 6.50 3892 3518 A 79 LYS HG3 A 79 LYS HE2 1.0 . 6.50 3893 3519 A 79 LYS HB3 A 79 LYS HG3 1.0 . 6.50 3894 3520 A 79 LYS HG3 A 79 LYS HE3 1.0 . 6.50 3895 3521 A 71 PRO HG3 A 84 GLY HA3 1.0 . 6.50 3896 3522 A 82 PHE HE% A 84 GLY HA3 1.0 . 6.50 3897 3523 A 84 GLY HA2 A 84 GLY HA3 1.0 . 4.71 3898 3524 A 71 PRO HG2 A 84 GLY HA3 1.0 . 6.50 3899 3525 A 85 ILE H A 84 GLY HA3 1.0 . 5.75 3900 3526 A 33 HIS HB3 A 32 LEU HA 1.0 . 6.50 3901 3527 A 31 ASN HD21 A 33 HIS HB3 1.0 . 6.50 3902 3528 A 33 HIS HB3 A 33 HIS HA 1.0 . 6.50 3903 3529 A 33 HIS HB3 A 34 GLY H 1.0 . 6.50 3904 3530 A 33 HIS HB3 A 33 HIS H 1.0 . 6.50 3905 3531 A 33 HIS HB3 A 102 THR HG2% 1.0 . 6.50 3906 3532 A 31 ASN HD22 A 33 HIS HB3 1.0 . 6.50 3907 3533 A 33 HIS HB3 A 32 LEU H 1.0 . 6.50 3908 3534 A 52 ASN H A 52 ASN HB2 1.0 . 6.50 3909 3535 A 51 ALA HA A 52 ASN HB2 1.0 . 6.50 3910 3536 A 52 ASN HB2 A 53 LYS H 1.0 . 6.50 3911 3537 A 52 ASN HA A 52 ASN HB2 1.0 . 6.50 3912 3538 A 91 ARG HG2 A 91 ARG HG3 1.0 . 5.62 3913 3539 A 91 ARG HG3 A 91 ARG HD2 1.0 . 6.50 3914 3540 A 92 ALA H A 91 ARG HG3 1.0 . 6.50 3915 3541 A 91 ARG H A 91 ARG HG3 1.0 . 6.50 3916 3542 A 91 ARG HA A 91 ARG HG3 1.0 . 6.50 3917 3543 A 91 ARG HG3 A 91 ARG HD3 1.0 . 6.50 3918 3544 A 51 ALA HA A 51 ALA HB% 1.0 . 5.99 3919 3545 A 75 ILE HG2% A 51 ALA HB% 1.0 . 5.97 3920 3546 A 77 GLY HA3 A 51 ALA HB% 1.0 . 6.50 3921 3547 A 51 ALA HB% A 53 LYS H 1.0 . 6.50 3922 3548 A 51 ALA HB% A 77 GLY HA2 1.0 . 6.50 3923 3549 A 78 THR HG2% A 75 ILE HB 1.0 . 6.22 3924 3550 A 75 ILE HB A 75 ILE HA 1.0 . 6.50 3925 3551 A 78 THR H A 75 ILE HB 1.0 . 6.50 3926 3552 A 75 ILE HB A 75 ILE HG12 1.0 . 6.47 3927 3552 A 75 ILE HB A 75 ILE HG13 1.0 . 6.47 3928 3553 A 75 ILE HB A 75 ILE HG2% 1.0 . 6.50 3929 3554 A 75 ILE HB A 74 TYR H 1.0 . 6.50 3930 3555 A 75 ILE HB A 75 ILE HD1% 1.0 . 5.93 3931 3556 A 75 ILE HB A 75 ILE H 1.0 . 6.50 3932 3557 A 85 ILE HB A 85 ILE HG12 1.0 . 5.65 3933 3558 A 85 ILE HB A 82 PHE HE% 1.0 . 6.50 3934 3559 A 85 ILE HB A 91 ARG HD2 1.0 . 6.50 3935 3560 A 85 ILE HG2% A 85 ILE HB 1.0 . 5.48 3936 3561 A 85 ILE HB A 84 GLY HA2 1.0 . 6.50 3937 3562 A 85 ILE HB A 85 ILE HG13 1.0 . 5.80 3938 3563 A 85 ILE HB A 91 ARG HD3 1.0 . 6.50 3939 3564 A 85 ILE HB A 85 ILE H 1.0 . 6.12 3940 3565 A 85 ILE HB A 85 ILE HA 1.0 . 6.50 3941 3566 A 85 ILE HB A 85 ILE HD1% 1.0 . 5.61 3942 3567 A 67 TYR HB2 A 67 TYR HB3 1.0 . 5.53 3943 3568 A 64 LEU HA A 67 TYR HB3 1.0 . 6.50 3944 3569 A 67 TYR HE% A 67 TYR HB3 1.0 . 6.50 3945 3570 A 67 TYR HA A 67 TYR HB3 1.0 . 6.50 3946 3571 A 67 TYR HB3 A 64 LEU HD1% 1.0 . 6.50 3947 3571 A 64 LEU HD2% A 67 TYR HB3 1.0 . 6.50 3948 3572 A 67 TYR HB3 A 67 TYR H 1.0 . 6.34 3949 3573 A 67 TYR HD% A 67 TYR HB3 1.0 . 6.50 3950 3574 A 71 PRO HB3 A 71 PRO HD3 1.0 . 6.50 3951 3575 A 71 PRO HG3 A 71 PRO HD3 1.0 . 5.99 3952 3576 A 73 LYS H A 71 PRO HD3 1.0 . 6.50 3953 3577 A 70 ASN HA A 71 PRO HD3 1.0 . 5.29 3954 3578 A 82 PHE HE% A 71 PRO HD3 1.0 . 6.50 3955 3579 A 82 PHE HA A 71 PRO HD3 1.0 . 6.50 3956 3580 A 72 LYS H A 71 PRO HD3 1.0 . 6.50 3957 3581 A 71 PRO HA A 71 PRO HD3 1.0 . 6.50 3958 3582 A 71 PRO HB2 A 71 PRO HD3 1.0 . 6.50 3959 3583 A 72 LYS HB3 A 71 PRO HD3 1.0 . 6.50 3960 3584 A 70 ASN H A 71 PRO HD3 1.0 . 6.50 3961 3585 A 71 PRO HG2 A 71 PRO HD3 1.0 . 6.18 3962 3586 A 71 PRO HD3 A 70 ASN HD21 1.0 . 6.50 3963 3587 A 20 VAL HG2% A 20 VAL HA 1.0 . 5.88 3964 3588 A 19 THR HB A 20 VAL HA 1.0 . 6.50 3965 3589 A 20 VAL HB A 20 VAL HA 1.0 . 4.74 3966 3590 A 20 VAL H A 20 VAL HA 1.0 . 6.32 3967 3591 A 20 VAL HG1% A 20 VAL HA 1.0 . 5.12 3968 3592 A 32 LEU HD1% A 20 VAL HA 1.0 . 6.50 3969 3593 A 19 THR HA A 20 VAL HA 1.0 . 6.50 3970 3594 A 32 LEU H A 20 VAL HA 1.0 . 5.85 3971 3595 A 13 LYS HB3 A 13 LYS HE2 1.0 . 6.50 3972 3596 A 82 PHE HE% A 13 LYS HE2 1.0 . 6.50 3973 3597 A 13 LYS HG3 A 13 LYS HE2 1.0 . 5.56 3974 3598 A 13 LYS HE2 A 13 LYS HD2 1.0 . 5.36 3975 3598 A 13 LYS HD3 A 13 LYS HE2 1.0 . 5.36 3976 3599 A 13 LYS HB2 A 13 LYS HE2 1.0 . 6.50 3977 3600 A 13 LYS HA A 13 LYS HE2 1.0 . 6.50 3978 3601 A 13 LYS H A 13 LYS HE2 1.0 . 6.50 3979 3602 A 13 LYS HG2 A 13 LYS HE2 1.0 . 6.41 3980 3603 A 17 CYS HB3 A 18 HIS HB2 1.0 . 5.77 3981 3604 A 18 HIS HB2 A 32 LEU HD2% 1.0 . 6.50 3982 3605 A 17 CYS HB2 A 18 HIS HB2 1.0 . 6.39 3983 3606 A 18 HIS HD2 A 18 HIS HB2 1.0 . 6.50 3984 3607 A 32 LEU HD1% A 18 HIS HB2 1.0 . 6.39 3985 3608 A 19 THR H A 18 HIS HB2 1.0 . 6.50 3986 3609 A 18 HIS HB2 A 18 HIS HD1 1.0 . 6.50 3987 3610 A 12 MET HG3 A 12 MET HB3 1.0 . 6.33 3988 3611 A 12 MET HB3 A 12 MET H 1.0 . 6.50 3989 3612 A 12 MET HA A 12 MET HB3 1.0 . 6.27 3990 3613 A 12 MET HB3 A 12 MET HG2 1.0 . 6.46 3991 3614 A 13 LYS H A 12 MET HB3 1.0 . 6.50 3992 3615 A 12 MET HB3 A 11 ILE H 1.0 . 6.50 3993 3616 A 12 MET HB3 A 11 ILE HB 1.0 . 6.50 3994 3617 A 59 TRP HE3 A 59 TRP HA 1.0 . 5.49 3995 3618 A 58 ILE HD1% A 59 TRP HA 1.0 . 6.50 3996 3619 A 59 TRP HB3 A 59 TRP HA 1.0 . 6.31 3997 3620 A 59 TRP H A 59 TRP HA 1.0 . 6.45 3998 3621 A 59 TRP HZ3 A 59 TRP HA 1.0 . 6.50 3999 3622 A 58 ILE HA A 59 TRP HA 1.0 . 6.50 4000 3623 A 59 TRP HD1 A 59 TRP HA 1.0 . 6.50 4001 3624 A 60 GLY H A 59 TRP HA 1.0 . 5.48 4002 3625 A 59 TRP HB2 A 59 TRP HA 1.0 . 6.50 4003 3626 A 64 LEU HG A 59 TRP HA 1.0 . 6.50 4004 3627 A 9 ILE HD1% A 9 ILE HA 1.0 . 5.79 4005 3628 A 9 ILE HG12 A 9 ILE HA 1.0 . 6.50 4006 3629 A 12 MET H A 9 ILE HA 1.0 . 6.50 4007 3630 A 10 PHE H A 9 ILE HA 1.0 . 6.50 4008 3631 A 9 ILE HA A 8 LYS HB2 1.0 . 6.50 4009 3631 A 8 LYS HB3 A 9 ILE HA 1.0 . 6.50 4010 3632 A 9 ILE HB A 9 ILE HA 1.0 . 6.50 4011 3633 A 9 ILE HG2% A 9 ILE HA 1.0 . 5.40 4012 3634 A 13 LYS H A 9 ILE HA 1.0 . 6.50 4013 3635 A 9 ILE HA A 9 ILE HG13 1.0 . 5.65 4014 3636 A 9 ILE HA A 9 ILE H 1.0 . 6.36 4015 3637 A 89 GLU H A 88 LYS HB2 1.0 . 6.50 4016 3638 A 87 LYS HA A 88 LYS HB2 1.0 . 6.50 4017 3639 A 88 LYS H A 88 LYS HB2 1.0 . 6.50 4018 3640 A 8 LYS H A 8 LYS HG3 1.0 . 6.50 4019 3641 A 8 LYS HA A 8 LYS HG3 1.0 . 6.32 4020 3642 A 27 LYS H A 27 LYS HB3 1.0 . 6.50 4021 3643 A 27 LYS HB3 A 29 GLY H 1.0 . 6.50 4022 3644 A 26 HIS HA A 27 LYS HB3 1.0 . 6.50 4023 3645 A 27 LYS HA A 27 LYS HB3 1.0 . 6.50 4024 3646 A 28 THR HB A 27 LYS HB3 1.0 . 6.50 4025 3647 A 22 LYS HA A 22 LYS HD2 1.0 . 6.50 4026 3647 A 22 LYS HA A 22 LYS HD3 1.0 . 6.50 4027 3648 A 23 GLY H A 22 LYS HD2 1.0 . 6.50 4028 3648 A 23 GLY H A 22 LYS HD3 1.0 . 6.50 4029 3649 A 22 LYS HB3 A 22 LYS HD2 1.0 . 6.03 4030 3649 A 22 LYS HB3 A 22 LYS HD3 1.0 . 6.03 4031 3650 A 22 LYS HG3 A 22 LYS HD2 1.0 . 5.26 4032 3650 A 22 LYS HG3 A 22 LYS HD3 1.0 . 5.26 4033 3651 A 22 LYS H A 22 LYS HD2 1.0 . 6.50 4034 3651 A 22 LYS H A 22 LYS HD3 1.0 . 6.50 4035 3652 A 81 ILE HA A 81 ILE HD1% 1.0 . 6.18 4036 3653 A 82 PHE H A 81 ILE HD1% 1.0 . 6.50 4037 3654 A 81 ILE HB A 81 ILE HD1% 1.0 . 6.38 4038 3655 A 81 ILE HG13 A 81 ILE HD1% 1.0 . 5.54 4039 3656 A 81 ILE H A 81 ILE HD1% 1.0 . 6.50 4040 3657 A 81 ILE HD1% A 81 ILE HG12 1.0 . 5.49 4041 3658 A 76 PRO HB2 A 77 GLY HA2 1.0 . 6.50 4042 3659 A 21 GLU HB2 A 20 VAL HG2% 1.0 . 6.50 4043 3660 A 22 LYS HA A 21 GLU HB2 1.0 . 6.50 4044 3661 A 21 GLU HB2 A 21 GLU C 1.0 . 6.50 4045 3662 A 21 GLU HA A 21 GLU HB2 1.0 . 6.50 4046 3663 A 21 GLU HB2 A 22 LYS H 1.0 . 6.50 4047 3664 A 17 CYS HB3 A 29 GLY HA3 1.0 . 6.50 4048 3665 A 17 CYS HA A 29 GLY HA3 1.0 . 6.50 4049 3666 A 28 THR HA A 29 GLY HA3 1.0 . 6.50 4050 3667 A 17 CYS HB2 A 29 GLY HA3 1.0 . 6.50 4051 3668 A 29 GLY H A 29 GLY HA3 1.0 . 6.50 4052 3669 A 29 GLY HA2 A 29 GLY HA3 1.0 . 5.31 4053 3670 A 28 THR HG2% A 29 GLY HA3 1.0 . 6.50 4054 3671 A 46 TYR HD% A 29 GLY HA3 1.0 . 6.50 4055 3672 A 90 GLU HB2 A 90 GLU HA 1.0 . 6.35 4056 3673 A 87 LYS H A 90 GLU HB2 1.0 . 6.50 4057 3674 A 85 ILE HG2% A 90 GLU HB2 1.0 . 5.30 4058 3675 A 90 GLU H A 90 GLU HB2 1.0 . 6.09 4059 3676 A 91 ARG H A 90 GLU HB2 1.0 . 6.50 4060 3677 A 45 GLY HA3 A 45 GLY HA2 1.0 . 5.21 4061 3678 A 46 TYR H A 45 GLY HA2 1.0 . 6.50 4062 3679 A 103 ASN HB3 A 103 ASN HD21 1.0 . 6.50 4063 3680 A 104 GLU H A 103 ASN HB3 1.0 . 6.50 4064 3681 A 103 ASN H A 103 ASN HB3 1.0 . 5.62 4065 3682 A 14 CYS HB2 A 14 CYS HB3 1.0 . 4.87 4066 3683 A 14 CYS H A 14 CYS HB3 1.0 . 6.50 4067 3684 A 10 PHE HA A 14 CYS HB3 1.0 . 6.50 4068 3685 A 18 HIS HD2 A 14 CYS HB3 1.0 . 6.50 4069 3686 A 32 LEU HD1% A 14 CYS HB3 1.0 . 6.50 4070 3687 A 14 CYS HA A 14 CYS HB3 1.0 . 6.50 4071 3688 A 14 CYS HB3 A 10 PHE HD2 1.0 . 6.50 4072 3689 A 82 PHE H A 83 VAL HA 1.0 . 6.50 4073 3690 A 83 VAL HA A 83 VAL HG1% 1.0 . 4.77 4074 3690 A 83 VAL HA A 83 VAL HG2% 1.0 . 4.77 4075 3691 A 83 VAL H A 83 VAL HA 1.0 . 6.36 4076 3692 A 82 PHE HA A 83 VAL HA 1.0 . 6.45 4077 3693 A 83 VAL HA A 83 VAL HB 1.0 . 4.98 4078 3694 A 101 ALA HB% A 97 TYR HE2 1.0 . 6.50 4079 3695 A 102 THR H A 101 ALA HB% 1.0 . 6.32 4080 3696 A 100 LYS H A 101 ALA HB% 1.0 . 6.50 4081 3697 A 100 LYS HB3 A 101 ALA HB% 1.0 . 6.50 4082 3698 A 102 THR HA A 101 ALA HB% 1.0 . 6.50 4083 3699 A 98 LEU H A 101 ALA HB% 1.0 . 6.50 4084 3700 A 104 GLU H A 101 ALA HB% 1.0 . 6.50 4085 3701 A 20 VAL HG1% A 101 ALA HB% 1.0 . 6.45 4086 3702 A 100 LYS HB2 A 101 ALA HB% 1.0 . 6.50 4087 3703 A 98 LEU HA A 101 ALA HB% 1.0 . 6.04 4088 3704 A 103 ASN H A 101 ALA HB% 1.0 . 6.50 4089 3705 A 100 LYS HA A 101 ALA HB% 1.0 . 6.50 4090 3706 A 101 ALA HB% A 102 THR HB 1.0 . 6.50 4091 3707 A 96 ALA H A 94 LEU HB2 1.0 . 6.50 4092 3708 A 94 LEU H A 94 LEU HB2 1.0 . 6.28 4093 3709 A 94 LEU HB2 A 93 ASP H 1.0 . 6.22 4094 3710 A 94 LEU HB2 A 6 GLY HA2 1.0 . 6.50 4095 3711 A 94 LEU HB2 A 9 ILE HA 1.0 . 6.50 4096 3712 A 94 LEU HB2 A 95 ILE H 1.0 . 5.55 4097 3713 A 100 LYS HG2 A 100 LYS HE2 1.0 . 5.75 4098 3713 A 100 LYS HE3 A 100 LYS HG2 1.0 . 5.75 4099 3714 A 100 LYS HA A 100 LYS HG2 1.0 . 6.11 4100 3715 A 5 LYS H A 5 LYS HE2 1.0 . 6.50 4101 3715 A 5 LYS H A 5 LYS HE3 1.0 . 6.50 4102 3716 A 31 ASN HD21 A 31 ASN HB2 1.0 . 6.50 4103 3717 A 31 ASN HB2 A 33 HIS H 1.0 . 6.50 4104 3718 A 31 ASN HD22 A 31 ASN HB2 1.0 . 6.50 4105 3719 A 31 ASN HA A 31 ASN HB2 1.0 . 6.33 4106 3720 A 19 THR H A 31 ASN HB2 1.0 . 6.50 4107 3721 A 31 ASN HB2 A 32 LEU H 1.0 . 6.50 4108 3722 A 7 LYS HA A 7 LYS HB2 1.0 . 5.65 4109 3723 A 11 ILE HD1% A 7 LYS HB2 1.0 . 6.50 4110 3724 A 6 GLY HA2 A 7 LYS HB2 1.0 . 6.50 4111 3725 A 7 LYS H A 7 LYS HB2 1.0 . 6.50 4112 3726 A 9 ILE H A 7 LYS HB2 1.0 . 6.50 4113 3727 A 53 LYS HB2 A 50 ALA HA 1.0 . 6.40 4114 3728 A 54 ASN H A 53 LYS HB2 1.0 . 6.50 4115 3729 A 53 LYS HB2 A 53 LYS H 1.0 . 6.50 4116 3730 A 53 LYS HB2 A 53 LYS HE2 1.0 . 6.50 4117 3730 A 53 LYS HB2 A 53 LYS HE3 1.0 . 6.50 4118 3731 A 93 ASP HA A 1 GLY HA3 1.0 . 6.12 4119 3732 A 93 ASP HA A 1 GLY HA2 1.0 . 6.12 4120 3733 A 93 ASP HA A 2 ASP HA 1.0 . 6.50 4121 3734 A 93 ASP HA A 6 GLY H 1.0 . 6.50 4122 3735 A 93 ASP HA A 2 ASP H 1.0 . 6.40 4123 3736 A 95 ILE H A 93 ASP HA 1.0 . 6.24 4124 3737 A 3 VAL HG2% A 2 ASP HA 1.0 . 6.21 4125 3738 A 2 ASP HB3 A 2 ASP HA 1.0 . 5.81 4126 3739 A 96 ALA HB% A 2 ASP HA 1.0 . 6.50 4127 3740 A 3 VAL H A 2 ASP HA 1.0 . 5.32 4128 3741 A 2 ASP HB2 A 2 ASP HA 1.0 . 5.76 4129 3742 A 4 GLU H A 2 ASP HA 1.0 . 6.50 4130 3743 A 6 GLY H A 2 ASP HA 1.0 . 6.50 4131 3744 A 2 ASP H A 2 ASP HA 1.0 . 6.50 4132 3745 A 79 LYS HB2 A 79 LYS HG2 1.0 . 6.50 4133 3746 A 79 LYS HG2 A 79 LYS HA 1.0 . 6.50 4134 3747 A 79 LYS HG2 A 79 LYS HE2 1.0 . 6.50 4135 3748 A 79 LYS HG2 A 79 LYS HB3 1.0 . 6.50 4136 3749 A 79 LYS HG2 A 79 LYS HE3 1.0 . 6.50 4137 3750 A 96 ALA H A 95 ILE HD1% 1.0 . 6.50 4138 3751 A 95 ILE HA A 95 ILE HD1% 1.0 . 6.50 4139 3752 A 95 ILE HD1% A 61 GLU HB2 1.0 . 6.37 4140 3752 A 95 ILE HD1% A 61 GLU HB3 1.0 . 6.37 4141 3753 A 95 ILE HD1% A 64 LEU H 1.0 . 6.50 4142 3754 A 95 ILE HD1% A 65 MET H 1.0 . 6.50 4143 3755 A 95 ILE HD1% A 65 MET HG2 1.0 . 6.50 4144 3756 A 95 ILE HD1% A 92 ALA HA 1.0 . 6.50 4145 3757 A 95 ILE HB A 95 ILE HD1% 1.0 . 5.29 4146 3758 A 95 ILE HD1% A 61 GLU HA 1.0 . 6.50 4147 3759 A 95 ILE HD1% A 95 ILE HG12 1.0 . 5.14 4148 3760 A 94 LEU HB3 A 95 ILE HD1% 1.0 . 5.74 4149 3761 A 95 ILE HD1% A 64 LEU HB2 1.0 . 5.90 4150 3762 A 95 ILE HD1% A 65 MET HA 1.0 . 6.19 4151 3763 A 95 ILE HD1% A 65 MET HG3 1.0 . 6.50 4152 3764 A 94 LEU HB2 A 95 ILE HD1% 1.0 . 6.50 4153 3765 A 95 ILE HD1% A 95 ILE H 1.0 . 6.50 4154 3766 A 95 ILE HD1% A 65 MET HB2 1.0 . 6.50 4155 3767 A 27 LYS H A 26 HIS HB3 1.0 . 6.50 4156 3768 A 26 HIS HA A 26 HIS HB3 1.0 . 6.50 4157 3769 A 26 HIS HB3 A 25 LYS HB3 1.0 . 6.50 4158 3770 A 26 HIS HB3 A 26 HIS H 1.0 . 6.50 4159 3771 A 46 TYR HD% A 26 HIS HB3 1.0 . 6.50 4160 3772 A 91 ARG HB3 A 91 ARG HD3 1.0 . 6.50 4161 3773 A 91 ARG HB2 A 91 ARG HD3 1.0 . 6.50 4162 3774 A 91 ARG HG2 A 91 ARG HD3 1.0 . 5.86 4163 3775 A 91 ARG H A 91 ARG HD3 1.0 . 6.50 4164 3776 A 91 ARG HA A 91 ARG HD3 1.0 . 6.50 4165 3777 A 91 ARG HG3 A 91 ARG HD3 1.0 . 6.13 4166 3778 A 85 ILE HB A 91 ARG HD3 1.0 . 6.50 4167 3779 A 17 CYS HB3 A 28 THR HB 1.0 . 6.50 4168 3780 A 18 HIS H A 28 THR HB 1.0 . 6.50 4169 3781 A 17 CYS HB2 A 28 THR HB 1.0 . 6.50 4170 3782 A 28 THR HB A 29 GLY H 1.0 . 6.50 4171 3783 A 28 THR HG2% A 28 THR HB 1.0 . 5.58 4172 3784 A 11 ILE HA A 11 ILE HB 1.0 . 6.50 4173 3785 A 11 ILE HG2% A 11 ILE HB 1.0 . 5.04 4174 3786 A 11 ILE HB A 11 ILE HG12 1.0 . 4.48 4175 3787 A 10 PHE HA A 11 ILE HB 1.0 . 6.50 4176 3788 A 8 LYS H A 11 ILE HB 1.0 . 6.50 4177 3789 A 11 ILE HD1% A 11 ILE HB 1.0 . 5.21 4178 3790 A 8 LYS HA A 11 ILE HB 1.0 . 5.78 4179 3791 A 11 ILE HB A 11 ILE H 1.0 . 5.54 4180 3792 A 11 ILE HG13 A 11 ILE HB 1.0 . 6.11 4181 3793 A 62 ASP HA A 61 GLU HG3 1.0 . 6.50 4182 3794 A 60 GLY HA3 A 61 GLU HG3 1.0 . 6.50 4183 3795 A 62 ASP H A 61 GLU HG3 1.0 . 6.50 4184 3796 A 95 ILE HG2% A 61 GLU HG3 1.0 . 5.55 4185 3797 A 60 GLY HA2 A 61 GLU HG3 1.0 . 6.50 4186 3798 A 61 GLU H A 61 GLU HG3 1.0 . 6.50 4187 3799 A 36 PHE HE% A 61 GLU HG3 1.0 . 6.50 4188 3800 A 43 ALA HB% A 46 TYR HB2 1.0 . 6.50 4189 3800 A 43 ALA HB% A 46 TYR HB3 1.0 . 6.50 4190 3801 A 46 TYR HD% A 46 TYR HB2 1.0 . 6.50 4191 3801 A 46 TYR HD% A 46 TYR HB3 1.0 . 6.50 4192 3802 A 34 GLY HA3 A 102 THR HB 1.0 . 6.50 4193 3803 A 102 THR H A 102 THR HB 1.0 . 6.50 4194 3804 A 33 HIS HA A 102 THR HB 1.0 . 6.27 4195 3805 A 34 GLY H A 102 THR HB 1.0 . 5.91 4196 3806 A 102 THR HA A 102 THR HB 1.0 . 5.78 4197 3807 A 35 LEU H A 102 THR HB 1.0 . 6.17 4198 3808 A 35 LEU HB2 A 102 THR HB 1.0 . 6.50 4199 3809 A 102 THR HG2% A 102 THR HB 1.0 . 5.31 4200 3810 A 34 GLY HA2 A 102 THR HB 1.0 . 6.50 4201 3811 A 35 LEU HB3 A 102 THR HB 1.0 . 6.50 4202 3812 A 80 MET HB2 A 80 MET HB3 1.0 . 6.34 4203 3813 A 80 MET H A 80 MET HB3 1.0 . 6.50 4204 3814 A 80 MET HG2 A 80 MET HB3 1.0 . 6.50 4205 3815 A 80 MET HA A 80 MET HB3 1.0 . 6.50 4206 3816 A 73 LYS H A 72 LYS HG2 1.0 . 6.50 4207 3817 A 72 LYS H A 72 LYS HG2 1.0 . 6.50 4208 3818 A 72 LYS HA A 72 LYS HG2 1.0 . 6.50 4209 3819 A 40 THR HA A 40 THR HB 1.0 . 6.42 4210 3820 A 41 GLY H A 40 THR HB 1.0 . 6.50 4211 3821 A 41 GLY HA3 A 40 THR HB 1.0 . 6.50 4212 3822 A 59 TRP HD1 A 40 THR HB 1.0 . 6.50 4213 3823 A 40 THR HG2% A 40 THR HB 1.0 . 5.86 4214 3824 A 40 THR HB A 40 THR H 1.0 . 6.50 4215 3825 A 59 TRP HE1 A 40 THR HB 1.0 . 6.50 4216 3826 A 13 LYS HG2 A 13 LYS HE3 1.0 . 6.50 4217 3827 A 14 CYS H A 13 LYS HG2 1.0 . 6.50 4218 3828 A 13 LYS HA A 13 LYS HG2 1.0 . 6.50 4219 3829 A 13 LYS H A 13 LYS HG2 1.0 . 6.50 4220 3830 A 13 LYS HG2 A 13 LYS HE2 1.0 . 6.50 4221 3831 A 58 ILE HB A 59 TRP HB2 1.0 . 6.50 4222 3832 A 59 TRP HE3 A 59 TRP HB2 1.0 . 6.50 4223 3833 A 58 ILE HD1% A 59 TRP HB2 1.0 . 5.92 4224 3834 A 59 TRP H A 59 TRP HB2 1.0 . 5.78 4225 3835 A 59 TRP HB2 A 35 LEU HA 1.0 . 6.50 4226 3836 A 59 TRP HB2 A 35 LEU HG 1.0 . 6.44 4227 3837 A 59 TRP HB2 A 35 LEU HB2 1.0 . 6.50 4228 3838 A 58 ILE HA A 59 TRP HB2 1.0 . 6.50 4229 3839 A 59 TRP HD1 A 59 TRP HB2 1.0 . 6.41 4230 3840 A 60 GLY H A 59 TRP HB2 1.0 . 6.50 4231 3841 A 59 TRP HB2 A 59 TRP HA 1.0 . 6.50 4232 3842 A 38 ARG H A 59 TRP HB2 1.0 . 6.50 4233 3843 A 64 LEU HG A 59 TRP HB2 1.0 . 6.50 4234 3844 A 24 GLY HA2 A 25 LYS HG2 1.0 . 6.50 4235 3844 A 24 GLY HA2 A 25 LYS HG3 1.0 . 6.50 4236 3845 A 25 LYS HE3 A 25 LYS HG2 1.0 . 5.68 4237 3845 A 25 LYS HE2 A 25 LYS HG2 1.0 . 5.68 4238 3845 A 25 LYS HG3 A 25 LYS HE2 1.0 . 5.68 4239 3845 A 25 LYS HG3 A 25 LYS HE3 1.0 . 5.68 4240 3846 A 25 LYS HA A 25 LYS HG2 1.0 . 5.88 4241 3846 A 25 LYS HA A 25 LYS HG3 1.0 . 5.88 4242 3847 A 26 HIS HB2 A 25 LYS HG2 1.0 . 6.50 4243 3847 A 26 HIS HB2 A 25 LYS HG3 1.0 . 6.50 4244 3848 A 26 HIS H A 25 LYS HG2 1.0 . 6.50 4245 3848 A 26 HIS H A 25 LYS HG3 1.0 . 6.50 4246 3849 A 25 LYS H A 25 LYS HG2 1.0 . 5.87 4247 3849 A 25 LYS H A 25 LYS HG3 1.0 . 5.87 4248 3850 A 24 GLY HA3 A 25 LYS HG2 1.0 . 6.50 4249 3850 A 24 GLY HA3 A 25 LYS HG3 1.0 . 6.50 4250 3851 A 26 HIS HB3 A 25 LYS HG2 1.0 . 6.50 4251 3851 A 26 HIS HB3 A 25 LYS HG3 1.0 . 6.50 4252 3852 A 58 ILE HD1% A 37 GLY HA3 1.0 . 5.66 4253 3853 A 36 PHE HB2 A 37 GLY HA3 1.0 . 6.50 4254 3854 A 37 GLY H A 37 GLY HA3 1.0 . 6.05 4255 3855 A 38 ARG H A 37 GLY HA3 1.0 . 6.50 4256 3856 A 37 GLY HA3 A 36 PHE HA 1.0 . 6.50 4257 3857 A 5 LYS HB3 A 5 LYS HE2 1.0 . 6.50 4258 3857 A 5 LYS HB2 A 5 LYS HE2 1.0 . 6.50 4259 3857 A 5 LYS HE3 A 5 LYS HB2 1.0 . 6.50 4260 3857 A 5 LYS HE3 A 5 LYS HB3 1.0 . 6.50 4261 3858 A 80 MET HB2 A 80 MET HA 1.0 . 6.50 4262 3859 A 80 MET H A 80 MET HA 1.0 . 6.50 4263 3860 A 80 MET HG2 A 80 MET HA 1.0 . 6.50 4264 3861 A 80 MET HA A 80 MET HG3 1.0 . 6.50 4265 3862 A 81 ILE H A 80 MET HA 1.0 . 5.52 4266 3863 A 28 THR HG2% A 80 MET HA 1.0 . 6.50 4267 3864 A 81 ILE HD1% A 80 MET HA 1.0 . 6.50 4268 3865 A 80 MET HA A 80 MET HB3 1.0 . 6.42 4269 3866 A 62 ASP HA A 65 MET HB2 1.0 . 6.50 4270 3867 A 64 LEU HA A 65 MET HB2 1.0 . 6.50 4271 3868 A 65 MET HB3 A 65 MET HB2 1.0 . 4.87 4272 3869 A 65 MET H A 65 MET HB2 1.0 . 5.84 4273 3870 A 65 MET HG2 A 65 MET HB2 1.0 . 5.89 4274 3871 A 65 MET HA A 65 MET HB2 1.0 . 6.11 4275 3872 A 64 LEU HB3 A 65 MET HB2 1.0 . 6.50 4276 3873 A 65 MET HG3 A 65 MET HB2 1.0 . 5.57 4277 3874 A 95 ILE HD1% A 65 MET HB2 1.0 . 6.50 4278 3875 A 64 LEU HG A 59 TRP HE3 1.0 . 6.50 4279 3876 A 64 LEU HA A 64 LEU HG 1.0 . 6.50 4280 3877 A 64 LEU HG A 59 TRP HB3 1.0 . 6.50 4281 3878 A 64 LEU HG A 64 LEU H 1.0 . 6.50 4282 3879 A 65 MET H A 64 LEU HG 1.0 . 6.50 4283 3880 A 64 LEU HG A 61 GLU HA 1.0 . 6.50 4284 3881 A 64 LEU HG A 64 LEU HD1% 1.0 . 4.50 4285 3881 A 64 LEU HD2% A 64 LEU HG 1.0 . 4.50 4286 3882 A 64 LEU HG A 60 GLY HA2 1.0 . 6.50 4287 3883 A 64 LEU HG A 60 GLY H 1.0 . 6.50 4288 3884 A 64 LEU HG A 64 LEU HB2 1.0 . 4.92 4289 3885 A 64 LEU HB3 A 64 LEU HG 1.0 . 5.04 4290 3886 A 64 LEU HG A 59 TRP HA 1.0 . 6.50 4291 3887 A 75 ILE HA A 76 PRO HD2 1.0 . 5.44 4292 3888 A 76 PRO HD2 A 76 PRO HG2 1.0 . 6.39 4293 3889 A 76 PRO HD2 A 76 PRO HA 1.0 . 6.50 4294 3890 A 76 PRO HD2 A 76 PRO HB2 1.0 . 6.50 4295 3891 A 76 PRO HD3 A 76 PRO HD2 1.0 . 4.88 4296 3892 A 76 PRO HD2 A 76 PRO HG3 1.0 . 6.12 4297 3893 A 76 PRO HD2 A 76 PRO HB3 1.0 . 6.50 4298 3894 A 75 ILE H A 76 PRO HD2 1.0 . 6.50 4299 3895 A 15 SER HB3 A 11 ILE HA 1.0 . 5.75 4300 3896 A 16 GLN HE21 A 15 SER HB3 1.0 . 6.50 4301 3897 A 16 GLN H A 15 SER HB3 1.0 . 6.50 4302 3898 A 15 SER HB3 A 11 ILE HG2% 1.0 . 6.50 4303 3899 A 14 CYS H A 15 SER HB3 1.0 . 6.50 4304 3900 A 15 SER HA A 15 SER HB3 1.0 . 5.42 4305 3901 A 17 CYS H A 15 SER HB3 1.0 . 6.50 4306 3902 A 15 SER HB2 A 15 SER HB3 1.0 . 5.18 4307 3903 A 15 SER HB3 A 11 ILE H 1.0 . 6.50 4308 3904 A 15 SER H A 15 SER HB3 1.0 . 6.34 4309 3905 A 103 ASN HB2 A 103 ASN HA 1.0 . 5.58 4310 3906 A 102 THR HG2% A 103 ASN HA 1.0 . 6.50 4311 3907 A 104 GLU H A 103 ASN HA 1.0 . 6.18 4312 3908 A 103 ASN H A 103 ASN HA 1.0 . 6.13 4313 3909 A 85 ILE HA A 85 ILE HG12 1.0 . 5.93 4314 3910 A 82 PHE HE% A 85 ILE HA 1.0 . 6.50 4315 3911 A 87 LYS H A 85 ILE HA 1.0 . 6.50 4316 3912 A 85 ILE HG2% A 85 ILE HA 1.0 . 6.15 4317 3913 A 85 ILE HA A 85 ILE HG13 1.0 . 6.07 4318 3914 A 85 ILE HB A 85 ILE HA 1.0 . 6.37 4319 3915 A 86 LYS H A 85 ILE HA 1.0 . 6.12 4320 3916 A 85 ILE HA A 85 ILE H 1.0 . 6.50 4321 3917 A 85 ILE HA A 85 ILE HD1% 1.0 . 5.97 4322 3918 A 40 THR H A 38 ARG HA 1.0 . 6.50 4323 3919 A 82 PHE H A 81 ILE HG12 1.0 . 6.50 4324 3920 A 81 ILE HB A 81 ILE HG12 1.0 . 6.50 4325 3921 A 82 PHE HE% A 85 ILE HD1% 1.0 . 6.35 4326 3922 A 91 ARG HD2 A 85 ILE HD1% 1.0 . 6.50 4327 3923 A 84 GLY HA2 A 85 ILE HD1% 1.0 . 6.50 4328 3924 A 84 GLY HA3 A 85 ILE HD1% 1.0 . 6.50 4329 3925 A 85 ILE H A 85 ILE HD1% 1.0 . 6.50 4330 3926 A 85 ILE HA A 85 ILE HD1% 1.0 . 6.50 4331 3927 A 99 LYS H A 99 LYS HG3 1.0 . 6.50 4332 3928 A 99 LYS HG3 A 102 THR H 1.0 . 6.50 4333 3929 A 100 LYS H A 99 LYS HG3 1.0 . 6.50 4334 3930 A 99 LYS HA A 99 LYS HG3 1.0 . 5.91 4335 3931 A 99 LYS HG3 A 99 LYS HE2 1.0 . 5.86 4336 3931 A 99 LYS HE3 A 99 LYS HG3 1.0 . 5.86 4337 3932 A 99 LYS HG2 A 99 LYS HG3 1.0 . 4.23 4338 3933 A 99 LYS HB2 A 99 LYS HG3 1.0 . 6.38 4339 3934 A 99 LYS HD3 A 99 LYS HG3 1.0 . 5.32 4340 3935 A 75 ILE HG2% A 76 PRO HD2 1.0 . 6.50 4341 3936 A 91 ARG HD3 A 85 ILE HD1% 1.0 . 6.50 4342 3937 A 85 ILE HG2% A 91 ARG HD3 1.0 . 6.50 4343 3938 A 15 SER HA A 14 CYS HA 1.0 . 6.08 4344 3939 A 82 PHE H A 81 ILE HA 1.0 . 4.89 4345 3940 A 81 ILE HA A 81 ILE H 1.0 . 6.50 4346 3941 A 82 PHE H A 82 PHE HA 1.0 . 5.38 4347 3942 A 82 PHE H A 82 PHE HB2 1.0 . 5.82 4348 3943 A 78 THR HB A 75 ILE HB 1.0 . 6.24 4349 3944 A 81 ILE HG13 A 81 ILE H 1.0 . 6.50 4350 3945 A 3 VAL HG1% A 97 TYR HD2 1.0 . 6.50 4351 3946 A 94 LEU HA A 9 ILE HD1% 1.0 . 5.56 4352 3947 A 14 CYS HB2 A 10 PHE HE1 1.0 . 6.50 4353 3948 A 14 CYS HB2 A 15 SER H 1.0 . 6.50 4354 3949 A 14 CYS HB2 A 10 PHE HE1 1.0 . 6.50 4355 3950 A 15 SER H A 14 CYS HB3 1.0 . 6.50 4356 3951 A 19 THR HB A 20 VAL HG2% 1.0 . 6.50 4357 3952 A 19 THR HA A 10 PHE HZ 1.0 . 6.50 4358 3953 A 21 GLU HB3 A 19 THR HB 1.0 . 6.50 4359 3954 A 19 THR HB A 21 GLU HG2 1.0 . 6.50 4360 3954 A 21 GLU HG3 A 19 THR HB 1.0 . 6.50 4361 3955 A 20 VAL HG1% A 10 PHE HZ 1.0 . 6.22 4362 3956 A 103 ASN HB3 A 103 ASN HA 1.0 . 5.18 4363 3957 A 103 ASN HB3 A 103 ASN HD22 1.0 . 6.09 4364 3958 A 103 ASN HB3 A 103 ASN HA 1.0 . 5.59 4365 3959 A 101 ALA HA A 100 LYS HG3 1.0 . 6.34 4366 3960 A 103 ASN H A 99 LYS HB3 1.0 . 6.50 4367 3961 A 99 LYS H A 99 LYS HB2 1.0 . 5.90 4368 3962 A 99 LYS HB2 A 99 LYS HG3 1.0 . 6.50 4369 3963 A 98 LEU HD2% A 10 PHE HD2 1.0 . 6.50 4370 3964 A 98 LEU HG A 97 TYR HD2 1.0 . 6.50 4371 3965 A 98 LEU HA A 103 ASN H 1.0 . 6.50 4372 3966 A 97 TYR HB3 A 94 LEU HD1% 1.0 . 6.50 4373 3966 A 97 TYR HB3 A 94 LEU HD2% 1.0 . 6.50 4374 3967 A 100 LYS HB2 A 97 TYR HB2 1.0 . 6.50 4375 3968 A 91 ARG H A 90 GLU HA 1.0 . 6.50 4376 3969 A 91 ARG HB2 A 91 ARG HG3 1.0 . 6.50 4377 3970 A 92 ALA H A 91 ARG HG2 1.0 . 5.49 4378 3971 A 91 ARG H A 91 ARG HG2 1.0 . 6.50 4379 3972 A 65 MET HA A 91 ARG HD2 1.0 . 6.50 4380 3973 A 91 ARG HD2 A 91 ARG HE 1.0 . 6.50 4381 3974 A 69 GLU H A 91 ARG HD2 1.0 . 6.50 4382 3975 A 65 MET HA A 91 ARG HD3 1.0 . 6.33 4383 3976 A 91 ARG HD3 A 91 ARG HE 1.0 . 6.50 4384 3977 A 69 GLU H A 91 ARG HD3 1.0 . 6.50 4385 3978 A 92 ALA H A 91 ARG HA 1.0 . 6.50 4386 3979 A 91 ARG HA A 90 GLU HG3 1.0 . 6.50 4387 3980 A 90 GLU HG3 A 87 LYS HD2 1.0 . 6.36 4388 3980 A 87 LYS HD3 A 90 GLU HG3 1.0 . 6.36 4389 3981 A 88 LYS HA A 91 ARG HB2 1.0 . 6.50 4390 3982 A 89 GLU H A 87 LYS HB2 1.0 . 6.50 4391 3983 A 87 LYS HA A 87 LYS H 1.0 . 6.28 4392 3984 A 82 PHE HZ A 85 ILE HD1% 1.0 . 6.18 4393 3985 A 85 ILE HG13 A 82 PHE HZ 1.0 . 6.50 4394 3986 A 82 PHE HD% A 84 GLY HA3 1.0 . 6.50 4395 3987 A 85 ILE HB A 69 GLU HA 1.0 . 6.50 4396 3988 A 69 GLU HB3 A 84 GLY HA3 1.0 . 6.50 4397 3989 A 82 PHE HB3 A 82 PHE HB2 1.0 . 4.91 4398 3990 A 82 PHE HA A 83 VAL HG1% 1.0 . 6.08 4399 3990 A 82 PHE HA A 83 VAL HG2% 1.0 . 6.08 4400 3991 A 82 PHE HA A 83 VAL HB 1.0 . 6.50 4401 3992 A 81 ILE HD1% A 79 LYS HA 1.0 . 6.50 4402 3993 A 78 THR HG2% A 80 MET HB2 1.0 . 6.50 4403 3994 A 78 THR HG2% A 75 ILE H 1.0 . 6.50 4404 3995 A 51 ALA HB% A 77 GLY HA2 1.0 . 6.10 4405 3996 A 73 LYS H A 72 LYS HA 1.0 . 6.50 4406 3997 A 72 LYS HA A 76 PRO HA 1.0 . 6.50 4407 3998 A 82 PHE HD% A 71 PRO HG2 1.0 . 6.22 4408 3999 A 68 LEU HA A 80 MET HE% 1.0 . 6.50 4409 4000 A 68 LEU HA A 64 LEU HD1% 1.0 . 6.50 4410 4000 A 68 LEU HA A 64 LEU HD2% 1.0 . 6.50 4411 4001 A 67 TYR HB2 A 67 TYR HB3 1.0 . 5.22 4412 4002 A 67 TYR HB2 A 59 TRP HH2 1.0 . 6.50 4413 4003 A 67 TYR HB2 A 66 GLU HG3 1.0 . 6.50 4414 4004 A 66 GLU H A 65 MET HB2 1.0 . 6.50 4415 4005 A 64 LEU HB3 A 61 GLU HA 1.0 . 6.50 4416 4006 A 71 PRO HD2 A 80 MET HE% 1.0 . 6.50 4417 4007 A 71 PRO HD3 A 80 MET HE% 1.0 . 6.50 4418 4008 A 63 THR HB A 57 ILE HD1% 1.0 . 6.50 4419 4009 A 63 THR HB A 57 ILE HG2% 1.0 . 6.50 4420 4010 A 63 THR HG2% A 57 ILE HD1% 1.0 . 6.50 4421 4011 A 63 THR HG2% A 57 ILE HG2% 1.0 . 6.50 4422 4012 A 28 THR HB A 27 LYS HB3 1.0 . 6.50 4423 4013 A 29 GLY HA3 A 30 PRO HD2 1.0 . 6.50 4424 4014 A 29 GLY HA2 A 30 PRO HD2 1.0 . 6.50 4425 4015 A 32 LEU HB3 A 20 VAL HG1% 1.0 . 6.34 4426 4016 A 35 LEU HB2 A 32 LEU HB2 1.0 . 6.50 4427 4017 A 32 LEU HB3 A 35 LEU HB2 1.0 . 6.50 4428 4018 A 35 LEU HB2 A 32 LEU HA 1.0 . 6.50 4429 4019 A 18 HIS HD1 A 32 LEU HG 1.0 . 6.50 4430 4020 A 32 LEU HD1% A 10 PHE HE1 1.0 . 6.14 4431 4021 A 32 LEU HD1% A 18 HIS HD1 1.0 . 6.50 4432 4022 A 18 HIS HD1 A 32 LEU HD2% 1.0 . 6.50 4433 4023 A 39 LYS H A 38 ARG HG2 1.0 . 6.50 4434 4024 A 39 LYS HB2 A 40 THR H 1.0 . 6.49 4435 4025 A 54 ASN H A 54 ASN HA 1.0 . 6.50 4436 4026 A 18 HIS HB3 A 10 PHE HZ 1.0 . 6.50 4437 4027 A 18 HIS HB2 A 10 PHE HZ 1.0 . 6.50 4438 4028 A 18 HIS H A 18 HIS HB2 1.0 . 6.50 4439 4029 A 20 VAL HG1% A 10 PHE HE1 1.0 . 6.02 4440 4030 A 26 HIS HB2 A 26 HIS HD1 1.0 . 6.50 4441 4031 A 18 HIS H A 15 SER HA 1.0 . 6.31 4442 4032 A 11 ILE HG2% A 11 ILE HD1% 1.0 . 5.49 4443 4033 A 88 LYS HA A 91 ARG HB3 1.0 . 6.50 4444 4034 A 91 ARG HA A 91 ARG HG3 1.0 . 6.50 4445 4035 A 91 ARG HB3 A 91 ARG HG3 1.0 . 6.50 4446 4036 A 91 ARG HA A 91 ARG HD2 1.0 . 6.50 4447 4037 A 89 GLU HA A 89 GLU HB2 1.0 . 4.63 4448 4037 A 89 GLU HB3 A 89 GLU HA 1.0 . 4.63 4449 4038 A 87 LYS HA A 87 LYS HB3 1.0 . 5.49 4450 4039 A 82 PHE HB2 A 83 VAL HG1% 1.0 . 6.50 4451 4039 A 82 PHE HB2 A 83 VAL HG2% 1.0 . 6.50 4452 4040 A 82 PHE HB3 A 83 VAL HG1% 1.0 . 6.50 4453 4040 A 82 PHE HB3 A 83 VAL HG2% 1.0 . 6.50 4454 4041 A 69 GLU HG3 A 69 GLU HA 1.0 . 6.50 4455 4042 A 24 GLY HA2 A 21 GLU HB3 1.0 . 6.50 4456 4043 A 22 LYS HA A 22 LYS HB2 1.0 . 5.94 4457 4044 A 22 LYS HB2 A 22 LYS H 1.0 . 5.72 4458 4045 A 22 LYS HB2 A 22 LYS HB3 1.0 . 4.48 4459 4046 A 22 LYS HB2 A 22 LYS HG3 1.0 . 6.03 4460 4047 A 22 LYS HG2 A 22 LYS HB2 1.0 . 5.71 4461 4048 A 21 GLU HA A 22 LYS HB3 1.0 . 6.50 4462 4049 A 26 HIS HB2 A 46 TYR HE% 1.0 . 6.50 4463 4050 A 26 HIS HB3 A 46 TYR HE% 1.0 . 6.50 4464 4051 A 26 HIS HB2 A 30 PRO HA 1.0 . 6.50 4465 4052 A 26 HIS HB3 A 30 PRO HA 1.0 . 6.50 4466 4053 A 58 ILE HB A 58 ILE HG2% 1.0 . 4.91 4467 4054 A 58 ILE HA A 57 ILE HG2% 1.0 . 6.50 4468 4055 A 58 ILE HG2% A 58 ILE HG12 1.0 . 4.88 4469 4056 A 58 ILE HG13 A 58 ILE HG12 1.0 . 4.18 4470 4057 A 58 ILE HG2% A 37 GLY HA2 1.0 . 5.98 4471 4058 A 89 GLU H A 87 LYS HB3 1.0 . 5.86 4472 4059 A 89 GLU H A 87 LYS HB3 1.0 . 5.19 4473 4060 A 89 GLU H A 87 LYS HB2 1.0 . 5.73 4474 4061 A 89 GLU H A 87 LYS HB2 1.0 . 5.59 4475 4062 A 82 PHE HZ A 85 ILE HD1% 1.0 . 4.96 4476 4063 A 82 PHE HE% A 85 ILE HD1% 1.0 . 4.77 4477 4064 A 82 PHE HE% A 85 ILE HD1% 1.0 . 4.55 4478 4065 A 82 PHE HE% A 85 ILE HG13 1.0 . 5.65 4479 4066 A 82 PHE HE% A 85 ILE HG13 1.0 . 4.80 4480 4067 A 85 ILE HG13 A 82 PHE HZ 1.0 . 4.73 4481 4068 A 85 ILE HG13 A 82 PHE HZ 1.0 . 5.39 4482 4069 A 85 ILE HG12 A 82 PHE HZ 1.0 . 3.88 4483 4070 A 85 ILE HG12 A 82 PHE HZ 1.0 . 4.59 4484 4071 A 82 PHE HE% A 85 ILE HG12 1.0 . 4.34 4485 4072 A 82 PHE HE% A 85 ILE HG12 1.0 . 4.88 4486 4073 A 82 PHE HE% A 85 ILE HA 1.0 . 4.35 4487 4074 A 82 PHE HE% A 85 ILE HA 1.0 . 4.84 4488 4075 A 80 MET HG2 A 82 PHE HB3 1.0 . 6.10 4489 4076 A 75 ILE HA A 76 PRO HD3 1.0 . 5.13 4490 4077 A 80 MET HB2 A 80 MET HG2 1.0 . 5.65 4491 4078 A 67 TYR HD% A 75 ILE HG12 1.0 . 4.76 4492 4078 A 67 TYR HD% A 75 ILE HG13 1.0 . 4.76 4493 4079 A 75 ILE HB A 67 TYR HD% 1.0 . 5.36 4494 4080 A 67 TYR HD% A 75 ILE HD1% 1.0 . 5.29 4495 4081 A 67 TYR HD% A 75 ILE HD1% 1.0 . 4.32 4496 4082 A 75 ILE HA A 76 PRO HD2 1.0 . 3.92 4497 4083 A 67 TYR HA A 74 TYR HB3 1.0 . 4.49 4498 4084 A 67 TYR HA A 74 TYR HB2 1.0 . 4.45 4499 4085 A 82 PHE HE% A 68 LEU HD1% 1.0 . 5.69 4500 4085 A 68 LEU HD2% A 82 PHE HE% 1.0 . 5.69 4501 4086 A 67 TYR HB2 A 64 LEU HA 1.0 . 4.31 4502 4087 A 59 TRP HE3 A 64 LEU HD1% 1.0 . 5.19 4503 4087 A 64 LEU HD2% A 59 TRP HE3 1.0 . 5.19 4504 4088 A 59 TRP HE3 A 64 LEU HD1% 1.0 . 5.59 4505 4088 A 64 LEU HD2% A 59 TRP HE3 1.0 . 5.59 4506 4089 A 64 LEU HG A 36 PHE HE% 1.0 . 5.07 4507 4090 A 64 LEU HG A 36 PHE HE% 1.0 . 4.36 4508 4091 A 64 LEU HG A 59 TRP HE3 1.0 . 5.93 4509 4092 A 64 LEU HA A 59 TRP HZ3 1.0 . 4.84 4510 4093 A 64 LEU HA A 59 TRP HZ3 1.0 . 4.69 4511 4094 A 36 PHE HE% A 61 GLU HG3 1.0 . 5.15 4512 4095 A 36 PHE HD% A 60 GLY HA2 1.0 . 4.91 4513 4096 A 36 PHE HD% A 60 GLY HA2 1.0 . 4.66 4514 4097 A 36 PHE HD% A 60 GLY HA3 1.0 . 4.89 4515 4098 A 36 PHE HD% A 60 GLY HA3 1.0 . 4.72 4516 4099 A 59 TRP HD1 A 38 ARG HG2 1.0 . 4.58 4517 4100 A 59 TRP HD1 A 38 ARG HG2 1.0 . 5.16 4518 4101 A 59 TRP HD1 A 38 ARG HB2 1.0 . 5.23 4519 4101 A 59 TRP HD1 A 38 ARG HB3 1.0 . 5.23 4520 4102 A 59 TRP HD1 A 38 ARG HB2 1.0 . 4.63 4521 4102 A 59 TRP HD1 A 38 ARG HB3 1.0 . 4.63 4522 4103 A 58 ILE HD1% A 37 GLY HA2 1.0 . 4.27 4523 4104 A 35 LEU HD2% A 59 TRP HZ3 1.0 . 5.41 4524 4105 A 59 TRP H A 35 LEU HD2% 1.0 . 5.46 4525 4106 A 35 LEU HD2% A 59 TRP HD1 1.0 . 4.31 4526 4107 A 35 LEU HD2% A 59 TRP HD1 1.0 . 4.49 4527 4108 A 35 LEU HD2% A 32 LEU HD2% 1.0 . 4.74 4528 4109 A 35 LEU HD2% A 32 LEU HD2% 1.0 . 4.52 4529 4110 A 32 LEU HD1% A 35 LEU HD1% 1.0 . 5.69 4530 4111 A 32 LEU HD1% A 35 LEU HD1% 1.0 . 4.51 4531 4112 A 35 LEU HD1% A 32 LEU HD2% 1.0 . 4.48 4532 4113 A 35 LEU HD1% A 32 LEU HD2% 1.0 . 4.90 4533 4114 A 36 PHE HD% A 35 LEU HB3 1.0 . 6.50 4534 4115 A 35 LEU HB2 A 32 LEU HD2% 1.0 . 4.67 4535 4116 A 35 LEU HB2 A 32 LEU HD2% 1.0 . 4.75 4536 4117 A 32 LEU HD1% A 35 LEU HB2 1.0 . 6.41 4537 4118 A 36 PHE HD% A 35 LEU HD1% 1.0 . 4.92 4538 4119 A 36 PHE HE% A 35 LEU HD1% 1.0 . 4.75 4539 4120 A 36 PHE HE% A 35 LEU HD1% 1.0 . 5.65 4540 4121 A 17 CYS HB3 A 28 THR HG2% 1.0 . 3.98 4541 4122 A 17 CYS HB3 A 28 THR HB 1.0 . 4.92 4542 4123 A 17 CYS HB3 A 28 THR HB 1.0 . 5.20 4543 4124 A 25 LYS H A 19 THR HG2% 1.0 . 5.97 4544 4125 A 19 THR HB A 25 LYS H 1.0 . 5.85 4545 4126 A 24 GLY HA2 A 31 ASN HD22 1.0 . 5.66 4546 4127 A 21 GLU HA A 22 LYS HB2 1.0 . 5.14 4547 4128 A 32 LEU HD1% A 20 VAL HG1% 1.0 . 4.91 4548 4129 A 32 LEU HD1% A 20 VAL HG1% 1.0 . 4.33 4549 4130 A 20 VAL HG1% A 97 TYR HE2 1.0 . 5.57 4550 4131 A 20 VAL HG1% A 97 TYR HE2 1.0 . 5.31 4551 4132 A 18 HIS HB3 A 32 LEU HD1% 1.0 . 5.74 4552 4133 A 18 HIS HB3 A 32 LEU HD1% 1.0 . 4.69 4553 4134 A 18 HIS HB2 A 32 LEU HD2% 1.0 . 5.67 4554 4135 A 32 LEU HD1% A 18 HIS HB2 1.0 . 4.31 4555 4136 A 32 LEU HD1% A 18 HIS HB2 1.0 . 5.04 4556 4137 A 18 HIS HA A 19 THR H 1.0 . 4.11 4557 4138 A 17 CYS HA A 29 GLY HA3 1.0 . 4.29 4558 4139 A 14 CYS HB2 A 18 HIS HD2 1.0 . 4.50 4559 4140 A 14 CYS HB2 A 18 HIS HD2 1.0 . 5.89 4560 4141 A 18 HIS HD2 A 14 CYS HA 1.0 . 5.73 4561 4142 A 82 PHE HZ A 13 LYS HD2 1.0 . 5.00 4562 4142 A 13 LYS HD3 A 82 PHE HZ 1.0 . 5.00 4563 4143 A 82 PHE HE% A 13 LYS HD2 1.0 . 5.16 4564 4143 A 82 PHE HE% A 13 LYS HD3 1.0 . 5.16 4565 4144 A 13 LYS HG2 A 82 PHE HZ 1.0 . 5.29 4566 4145 A 13 LYS HB3 A 82 PHE HZ 1.0 . 4.82 4567 4146 A 95 ILE HG2% A 36 PHE HE% 1.0 . 4.35 4568 4147 A 95 ILE HG2% A 36 PHE HE% 1.0 . 4.86 4569 4148 A 98 LEU HD2% A 97 TYR HD1 1.0 . 5.04 4570 4149 A 98 LEU HD2% A 97 TYR HD1 1.0 . 5.94 4571 4150 A 98 LEU HD2% A 97 TYR HD2 1.0 . 5.13 4572 4151 A 98 LEU HD2% A 20 VAL HG1% 1.0 . 4.48 4573 4152 A 32 LEU HD1% A 98 LEU HD2% 1.0 . 4.29 4574 4153 A 32 LEU HD1% A 98 LEU HD2% 1.0 . 4.77 4575 4154 A 32 LEU HD1% A 98 LEU HD1% 1.0 . 5.39 4576 4155 A 32 LEU HD1% A 98 LEU HD1% 1.0 . 4.58 4577 4156 A 20 VAL HG1% A 32 LEU HB2 1.0 . 5.00 4578 4157 A 20 VAL HG1% A 101 ALA HB% 1.0 . 5.32 4579 4158 A 101 ALA HB% A 97 TYR HE2 1.0 . 5.44 4580 4159 A 101 ALA HB% A 97 TYR HE2 1.0 . 5.22 4581 4160 A 32 LEU HD1% A 102 THR HG2% 1.0 . 6.11 4582 4161 A 32 LEU HD1% A 102 THR HG2% 1.0 . 5.34 4583 4162 A 20 VAL HG1% A 102 THR HG2% 1.0 . 4.49 4584 4163 A 99 LYS HD2 A 36 PHE HE% 1.0 . 4.61 4585 4164 A 10 PHE HB3 A 97 TYR HE2 1.0 . 5.63 4586 4165 A 10 PHE HB2 A 97 TYR HE2 1.0 . 5.61 4587 4166 A 93 ASP HA A 1 GLY HA2 1.0 . 4.95 4588 4167 A 10 PHE HA A 14 CYS HB3 1.0 . 4.68 4589 4168 A 10 PHE HA A 14 CYS HB3 1.0 . 4.57 4590 4169 A 97 TYR HD1 A 7 LYS HA 1.0 . 4.93 4591 4170 A 97 TYR HD1 A 7 LYS HA 1.0 . 5.26 4592 4171 A 97 TYR HD2 A 7 LYS HA 1.0 . 4.92 4593 4172 A 3 VAL HG1% A 97 TYR HD1 1.0 . 4.38 4594 4173 A 3 VAL HG1% A 97 TYR HD1 1.0 . 4.23 4595 4174 A 3 VAL HG2% A 97 TYR HD1 1.0 . 4.95 4596 4175 A 3 VAL HG2% A 97 TYR HD1 1.0 . 4.69 4597 4176 A 97 TYR HD1 A 3 VAL HA 1.0 . 4.83 4598 4177 A 97 TYR HD1 A 3 VAL HA 1.0 . 5.20 4599 4178 A 59 TRP HE1 A 40 THR HG2% 1.0 . 5.95 4600 4179 A 59 TRP HE1 A 40 THR HG2% 1.0 . 5.63 4601 4180 A 59 TRP HE1 A 40 THR HA 1.0 . 5.26 4602 4181 A 99 LYS H A 36 PHE HE% 1.0 . 5.25 4603 4182 A 35 LEU HD2% A 35 LEU HG 1.0 . 4.56 4604 4183 A 17 CYS HB3 A 17 CYS HA 1.0 . 5.69 4605 4184 A 17 CYS HB3 A 18 HIS HD2 1.0 . 4.76 4606 4185 A 97 TYR HD2 A 97 TYR HE2 1.0 . 4.36 4607 4186 A 97 TYR HE2 A 97 TYR HE1 1.0 . 3.52 4608 4187 A 97 TYR HD1 A 97 TYR HE2 1.0 . 4.51 4609 4188 A 20 VAL HG2% A 20 VAL HG1% 1.0 . 3.65 4610 4189 A 59 TRP HE3 A 59 TRP HZ3 1.0 . 4.22 4611 4190 A 80 MET HB2 A 80 MET HB3 1.0 . 4.23 4612 4191 A 80 MET HB2 A 80 MET HA 1.0 . 5.94 4613 4192 A 89 GLU H A 88 LYS HB3 1.0 . 5.30 4614 4193 A 89 GLU H A 89 GLU HB2 1.0 . 3.84 4615 4193 A 89 GLU H A 89 GLU HB3 1.0 . 3.84 4616 4194 A 89 GLU H A 88 LYS HB2 1.0 . 6.08 4617 4195 A 18 HIS H A 15 SER HA 1.0 . 5.89 4618 4196 A 18 HIS H A 17 CYS H 1.0 . 3.85 4619 4197 A 18 HIS H A 18 HIS HB3 1.0 . 5.10 4620 4198 A 32 LEU HB3 A 32 LEU HD2% 1.0 . 5.74 4621 4199 A 32 LEU HD1% A 32 LEU HB3 1.0 . 4.98 4622 4200 A 74 TYR HA A 74 TYR HE% 1.0 . 5.29 4623 4201 A 13 LYS HB3 A 13 LYS HA 1.0 . 6.22 4624 4202 A 36 PHE HD% A 36 PHE HB2 1.0 . 3.99 4625 4203 A 74 TYR HB2 A 74 TYR HD% 1.0 . 4.35 4626 4204 A 74 TYR HB2 A 74 TYR HA 1.0 . 4.38 4627 4205 A 67 TYR HB2 A 67 TYR HE% 1.0 . 4.95 4628 4206 A 67 TYR HB2 A 67 TYR HA 1.0 . 4.19 4629 4207 A 67 TYR HB2 A 67 TYR HD% 1.0 . 5.06 4630 4208 A 87 LYS HA A 88 LYS H 1.0 . 4.08 4631 4209 A 59 TRP HE3 A 59 TRP HB3 1.0 . 5.77 4632 4210 A 59 TRP HB3 A 59 TRP HD1 1.0 . 5.98 4633 4211 A 20 VAL HB A 20 VAL HG1% 1.0 . 3.84 4634 4212 A 14 CYS HB2 A 14 CYS HA 1.0 . 4.44 4635 4213 A 32 LEU HA A 32 LEU HD2% 1.0 . 3.83 4636 4214 A 32 LEU HD1% A 32 LEU HA 1.0 . 5.69 4637 4215 A 32 LEU HB3 A 32 LEU HD2% 1.0 . 5.10 4638 4216 A 32 LEU HD2% A 32 LEU HB2 1.0 . 4.63 4639 4217 A 32 LEU HD2% A 32 LEU HG 1.0 . 4.38 4640 4218 A 27 LYS HE2 A 27 LYS HG2 1.0 . 4.56 4641 4218 A 27 LYS HE3 A 27 LYS HG2 1.0 . 4.56 4642 4218 A 27 LYS HG3 A 27 LYS HE2 1.0 . 4.56 4643 4218 A 27 LYS HG3 A 27 LYS HE3 1.0 . 4.56 4644 4219 A 20 VAL H A 20 VAL HG1% 1.0 . 5.38 4645 4220 A 97 TYR HA A 97 TYR HD1 1.0 . 4.25 4646 4221 A 97 TYR HB3 A 97 TYR HD2 1.0 . 4.55 4647 4222 A 97 TYR HB3 A 97 TYR HD1 1.0 . 4.57 4648 4223 A 73 LYS H A 74 TYR HB3 1.0 . 6.32 4649 4224 A 82 PHE H A 81 ILE HG2% 1.0 . 4.88 4650 4225 A 82 PHE H A 81 ILE HD1% 1.0 . 5.05 4651 4226 A 10 PHE HB2 A 97 TYR HD2 1.0 . 5.37 4652 4227 A 67 TYR HB2 A 67 TYR HE% 1.0 . 4.81 4653 4228 A 83 VAL H A 83 VAL HA 1.0 . 4.94 4654 4229 A 71 PRO HD2 A 71 PRO HG2 1.0 . 4.84 4655 4230 A 97 TYR HD2 A 97 TYR HE2 1.0 . 4.31 4656 4231 A 97 TYR HA A 97 TYR HD2 1.0 . 5.07 4657 4232 A 97 TYR HB3 A 97 TYR HD2 1.0 . 4.73 4658 4233 A 97 TYR HD2 A 97 TYR HB2 1.0 . 5.35 4659 4234 A 36 PHE HD% A 36 PHE HB2 1.0 . 4.53 4660 4235 A 36 PHE HD% A 36 PHE H 1.0 . 4.30 4661 4236 A 36 PHE HD% A 36 PHE HA 1.0 . 5.10 4662 4237 A 17 CYS HB2 A 18 HIS HD2 1.0 . 5.05 4663 4238 A 89 GLU H A 88 LYS HB3 1.0 . 4.99 4664 4239 A 76 PRO HD3 A 76 PRO HD2 1.0 . 3.66 4665 4240 A 82 PHE HE% A 82 PHE HD% 1.0 . 3.75 4666 4241 A 2 ASP H A 2 ASP HB3 1.0 . 4.54 4667 4242 A 68 LEU HB3 A 68 LEU HD1% 1.0 . 4.57 4668 4242 A 68 LEU HD2% A 68 LEU HB3 1.0 . 4.57 4669 4243 A 96 ALA HB% A 97 TYR HD1 1.0 . 5.50 4670 4244 A 93 ASP HA A 92 ALA HA 1.0 . 5.18 4671 4245 A 67 TYR HE% A 67 TYR HA 1.0 . 5.10 4672 4246 A 14 CYS HA A 14 CYS H 1.0 . 5.82 4673 4247 A 36 PHE HD% A 34 GLY H 1.0 . 6.50 4674 4248 A 32 LEU HD2% A 32 LEU HB2 1.0 . 4.78 4675 4249 A 32 LEU HD1% A 32 LEU HB2 1.0 . 4.72 4676 4250 A 82 PHE HA A 82 PHE HE% 1.0 . 5.52 4677 4251 A 82 PHE HA A 83 VAL HA 1.0 . 5.21 4678 4252 A 17 CYS HB3 A 17 CYS H 1.0 . 5.43 4679 4253 A 18 HIS H A 17 CYS H 1.0 . 3.81 4680 4254 A 97 TYR HE2 A 97 TYR HE1 1.0 . 3.41 4681 4255 A 97 TYR HB2 A 97 TYR HE1 1.0 . 5.76 4682 4256 A 97 TYR HB3 A 97 TYR HB2 1.0 . 3.65 4683 4257 A 97 TYR HD2 A 97 TYR HB2 1.0 . 4.86 4684 4258 A 97 TYR HB2 A 97 TYR HD1 1.0 . 4.72 4685 4259 A 97 TYR HD2 A 10 PHE HB3 1.0 . 5.45 4686 4260 A 36 PHE HD% A 35 LEU H 1.0 . 4.95 4687 4261 A 82 PHE HB3 A 82 PHE HD% 1.0 . 3.97 4688 4262 A 18 HIS HD2 A 18 HIS HB2 1.0 . 4.43 4689 4263 A 13 LYS HA A 13 LYS HD2 1.0 . 6.16 4690 4263 A 13 LYS HD3 A 13 LYS HA 1.0 . 6.16 4691 4264 A 67 TYR HB2 A 67 TYR H 1.0 . 5.40 4692 4265 A 67 TYR HA A 67 TYR H 1.0 . 6.01 4693 4266 A 82 PHE HB3 A 82 PHE HD% 1.0 . 4.16 4694 4267 A 82 PHE HB2 A 82 PHE HD% 1.0 . 4.86 4695 4268 A 18 HIS HD2 A 18 HIS HB3 1.0 . 4.04 4696 4269 A 18 HIS HB3 A 18 HIS HA 1.0 . 4.49 4697 4270 A 72 LYS H A 71 PRO HB2 1.0 . 5.03 4698 4271 A 97 TYR HD1 A 97 TYR HE2 1.0 . 4.50 4699 4272 A 97 TYR HA A 97 TYR HD1 1.0 . 4.14 4700 4273 A 97 TYR HB3 A 97 TYR HD1 1.0 . 5.23 4701 4274 A 97 TYR HB2 A 97 TYR HD1 1.0 . 4.78 4702 4275 A 59 TRP HD1 A 59 TRP HE1 1.0 . 4.64 4703 4276 A 60 GLY HA3 A 60 GLY HA2 1.0 . 3.56 4704 4277 A 18 HIS H A 18 HIS HA 1.0 . 5.41 4705 4278 A 32 LEU HD1% A 32 LEU HB3 1.0 . 4.09 4706 4279 A 32 LEU HD1% A 32 LEU HB2 1.0 . 4.24 4707 4280 A 32 LEU HD1% A 32 LEU HG 1.0 . 4.51 4708 4281 A 36 PHE HD% A 35 LEU HB3 1.0 . 4.80 4709 4282 A 10 PHE HB2 A 10 PHE HE2 1.0 . 5.25 4710 4283 A 10 PHE HB3 A 10 PHE HE2 1.0 . 5.54 4711 4284 A 43 ALA HB% A 46 TYR H 1.0 . 5.06 4712 4285 A 67 TYR HA A 67 TYR HD% 1.0 . 5.62 4713 4286 A 89 GLU H A 89 GLU HB2 1.0 . 3.93 4714 4286 A 89 GLU H A 89 GLU HB3 1.0 . 3.93 4715 4287 A 74 TYR HB2 A 74 TYR HD% 1.0 . 5.21 4716 4288 A 74 TYR HB3 A 74 TYR HD% 1.0 . 5.19 4717 4289 A 74 TYR HA A 74 TYR HD% 1.0 . 4.29 4718 4290 A 85 ILE HA A 85 ILE HG13 1.0 . 4.75 4719 4291 A 46 TYR HD% A 46 TYR HA 1.0 . 5.16 4720 4292 A 6 GLY HA2 A 6 GLY HA3 1.0 . 3.78 4721 4293 A 32 LEU HD2% A 32 LEU HG 1.0 . 4.57 4722 4294 A 32 LEU HD1% A 32 LEU HG 1.0 . 4.89 4723 4295 A 11 ILE HG2% A 11 ILE H 1.0 . 6.14 4724 4296 A 11 ILE HD1% A 11 ILE H 1.0 . 6.33 4725 4297 A 14 CYS HB2 A 14 CYS HA 1.0 . 4.48 4726 4298 A 67 TYR HE% A 67 TYR HB3 1.0 . 4.57 4727 4299 A 59 TRP HE3 A 59 TRP HA 1.0 . 4.06 4728 4300 A 89 GLU H A 88 LYS HB2 1.0 . 5.50 4729 4301 A 74 TYR HA A 74 TYR HD% 1.0 . 4.19 4730 4302 A 14 CYS HA A 14 CYS HB3 1.0 . 5.28 4731 4303 A 43 ALA HB% A 46 TYR H 1.0 . 6.27 4732 4304 A 46 TYR H A 46 TYR HB2 1.0 . 4.73 4733 4304 A 46 TYR H A 46 TYR HB3 1.0 . 4.73 4734 4305 A 59 TRP HD1 A 59 TRP HE1 1.0 . 4.35 4735 4306 A 93 ASP HA A 2 ASP H 1.0 . 4.45 4736 4307 A 35 LEU H A 102 THR HB 1.0 . 4.78 4737 4308 A 80 MET HB2 A 80 MET HB3 1.0 . 4.30 4738 4309 A 80 MET HA A 80 MET HB3 1.0 . 5.45 4739 4310 A 36 PHE HD% A 36 PHE HE% 1.0 . 3.24 4740 4311 A 8 LYS H A 9 ILE H 1.0 . 4.71 4741 4312 A 18 HIS HA A 18 HIS HD1 1.0 . 6.15 4742 4313 A 59 TRP HD1 A 59 TRP HB2 1.0 . 5.19 4743 4314 A 36 PHE HD% A 36 PHE HA 1.0 . 4.71 4744 4315 A 64 LEU HG A 64 LEU H 1.0 . 5.97 4745 4316 A 82 PHE HE% A 85 ILE H 1.0 . 5.89 4746 4317 A 80 MET HG2 A 80 MET HE% 1.0 . 4.54 4747 4318 A 71 PRO HG3 A 80 MET HE% 1.0 . 4.86 4748 4319 A 82 PHE HB3 A 80 MET HE% 1.0 . 4.58 4749 4320 A 82 PHE HB2 A 80 MET HE% 1.0 . 5.24 4750 4321 A 80 MET HE% A 68 LEU HD1% 1.0 . 4.44 4751 4321 A 68 LEU HD2% A 80 MET HE% 1.0 . 4.44 4752 4322 A 71 PRO HG2 A 80 MET HE% 1.0 . 4.73 4753 4323 A 82 PHE HD% A 80 MET HE% 1.0 . 4.42 4754 4324 A 59 TRP HZ3 A 59 TRP HH2 1.0 . 4.25 4755 4325 A 59 TRP HZ3 A 59 TRP HH2 1.0 . 4.18 4756 4326 A 59 TRP HE1 A 59 TRP HZ2 1.0 . 4.92 4757 4327 A 59 TRP HH2 A 59 TRP HZ2 1.0 . 4.23 4758 4328 A 59 TRP HH2 A 59 TRP HZ2 1.0 . 4.34 4759 4329 A 59 TRP HE1 A 59 TRP HZ2 1.0 . 5.21 4760 4330 A 67 TYR HD% A 59 TRP HH2 1.0 . 5.54 4761 4331 A 67 TYR HD% A 59 TRP HH2 1.0 . 6.39 4762 4332 A 18 HIS HD1 A 32 LEU HG 1.0 . 4.62 4763 4333 A 18 HIS HD1 A 18 HIS HE1 1.0 . 4.94 4764 4334 A 32 LEU HD2% A 18 HIS HE1 1.0 . 5.41 4765 4335 A 32 LEU HD1% A 18 HIS HE1 1.0 . 4.24 4766 4336 A 32 LEU HD2% A 18 HIS HE1 1.0 . 6.50 4767 4337 A 32 LEU HD1% A 18 HIS HE1 1.0 . 4.30 4768 4338 A 18 HIS HD1 A 18 HIS HE1 1.0 . 5.51 4769 4339 A 18 HIS HD1 A 32 LEU HG 1.0 . 4.90 4770 4340 A 80 MET HB2 A 80 MET HE% 1.0 . 6.50 4771 4341 A 82 PHE HA A 80 MET HE% 1.0 . 6.17 4772 4342 A 71 PRO HB3 A 80 MET HE% 1.0 . 5.31 4773 4343 A 71 PRO HB2 A 80 MET HE% 1.0 . 5.99 4774 4344 A 81 ILE HA A 80 MET HE% 1.0 . 6.50 4775 4345 A 71 PRO HD3 A 80 MET HE% 1.0 . 5.54 4776 4346 A 71 PRO HD2 A 80 MET HE% 1.0 . 5.57 4777 4347 A 82 PHE HE% A 80 MET HE% 1.0 . 5.98 4778 4348 A 59 TRP HE3 A 59 TRP HH2 1.0 . 6.50 4779 4349 A 67 TYR HB3 A 59 TRP HH2 1.0 . 5.79 4780 4350 A 67 TYR HB2 A 59 TRP HH2 1.0 . 5.25 4781 4351 A 67 TYR HA A 59 TRP HH2 1.0 . 6.50 4782 4352 A 32 LEU HD1% A 18 HIS HD1 1.0 . 5.30 4783 4353 A 18 HIS HD1 A 32 LEU HD2% 1.0 . 5.06 4784 4354 A 18 HIS HD1 A 32 LEU HB3 1.0 . 6.02 4785 4355 A 18 HIS HD1 A 32 LEU HD2% 1.0 . 5.23 4786 4356 A 18 HIS HD1 A 32 LEU HB3 1.0 . 5.30 4787 4357 A 18 HIS HD1 A 32 LEU HB2 1.0 . 5.95 4788 4358 A 18 HIS HD2 A 14 CYS HA 1.0 . 5.79 4789 4359 A 17 CYS HB3 A 14 CYS HA 1.0 . 6.50 4790 4360 A 14 CYS HA A 13 LYS HB3 1.0 . 6.50 4791 4361 A 14 CYS HA A 13 LYS HB2 1.0 . 6.50 4792 4362 A 18 HIS HB3 A 18 HIS HD1 1.0 . 6.50 4793 4363 A 18 HIS HB2 A 18 HIS HD1 1.0 . 6.14 4794 4364 A 18 HIS HD1 A 32 LEU HB2 1.0 . 5.79 4795 4365 A 18 HIS HA A 18 HIS HD1 1.0 . 5.77 4796 4366 A 19 THR H A 18 HIS HD1 1.0 . 6.50 4797 4367 A 18 HIS HB2 A 18 HIS HD1 1.0 . 6.23 4798 4368 A 18 HIS HB3 A 18 HIS HD1 1.0 . 6.50 4799 4369 A 32 LEU HD1% A 18 HIS HD1 1.0 . 6.12 4800 4370 A 18 HIS HD2 A 18 HIS HD1 1.0 . 6.50 4801 4371 A 18 HIS H A 18 HIS HD2 1.0 . 6.08 4802 4372 A 18 HIS H A 15 SER HA 1.0 . 4.86 4803 4373 A 18 HIS H A 14 CYS HA 1.0 . 6.50 4804 4374 A 18 HIS H A 19 THR H 1.0 . 6.50 4805 4375 A 18 HIS H A 16 GLN H 1.0 . 6.50 4806 4376 A 18 HIS H A 17 CYS HA 1.0 . 5.87 4807 4377 A 18 HIS H A 18 HIS HD2 1.0 . 5.72 4808 4378 A 17 CYS HB3 A 18 HIS H 1.0 . 5.74 4809 4379 A 18 HIS H A 18 HIS HB2 1.0 . 5.50 4810 4380 A 18 HIS H A 16 GLN H 1.0 . 6.50 4811 4381 A 18 HIS HB3 A 32 LEU HD2% 1.0 . 5.28 4812 4382 A 18 HIS HB2 A 32 LEU HD2% 1.0 . 6.03 4813 4383 A 80 MET HG2 A 80 MET HB3 1.0 . 5.73 4814 4384 A 80 MET HA A 80 MET HB3 1.0 . 5.76 4815 4385 A 80 MET H A 80 MET HB3 1.0 . 6.02 4816 4386 A 81 ILE H A 80 MET HB3 1.0 . 6.50 4817 4387 A 80 MET HG2 A 80 MET HB3 1.0 . 5.42 4818 4388 A 81 ILE H A 80 MET HB3 1.0 . 6.50 4819 4389 A 80 MET H A 80 MET HB3 1.0 . 6.50 4820 4390 A 80 MET HG2 A 71 PRO HG2 1.0 . 6.50 4821 4391 A 80 MET HB2 A 80 MET HG2 1.0 . 5.70 4822 4392 A 80 MET HG2 A 82 PHE HB3 1.0 . 5.92 4823 4393 A 80 MET HG2 A 71 PRO HG2 1.0 . 6.50 4824 4394 A 80 MET HG2 A 82 PHE HB2 1.0 . 5.95 4825 4395 A 80 MET HG2 A 80 MET HA 1.0 . 5.93 4826 4396 A 82 PHE H A 80 MET HG2 1.0 . 5.68 4827 4397 A 80 MET HG2 A 81 ILE H 1.0 . 6.50 4828 4398 A 80 MET HG2 A 80 MET HA 1.0 . 5.70 4829 4399 A 80 MET HG2 A 82 PHE HB2 1.0 . 5.83 4830 4400 A 82 PHE H A 80 MET HG2 1.0 . 6.35 4831 4401 A 80 MET HG2 A 81 ILE H 1.0 . 6.50 4832 4402 A 36 PHE HD% A 99 LYS HG3 1.0 . 6.29 4833 4403 A 67 TYR HD% A 85 ILE HD1% 1.0 . 5.30 4834 4404 A 97 TYR HD1 A 7 LYS H 1.0 . 5.94 4835 4405 A 20 VAL HG2% A 97 TYR HE2 1.0 . 5.66 4836 4406 A 14 CYS HB3 A 10 PHE HE2 1.0 . 6.43 4837 4407 A 35 LEU HD2% A 59 TRP HE1 1.0 . 6.47 4838 4408 A 11 ILE HD1% A 97 TYR HE2 1.0 . 6.21 4839 4409 A 97 TYR HE2 A 7 LYS HD2 1.0 . 5.84 4840 4409 A 97 TYR HE2 A 7 LYS HD3 1.0 . 5.84 4841 4410 A 13 LYS HB2 A 82 PHE HZ 1.0 . 5.82 4842 4411 A 82 PHE H A 80 MET HE% 1.0 . 6.50 4843 4412 A 82 PHE H A 80 MET HE% 1.0 . 6.50 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 96 ALA H A 99 LYS H 1.0 . 5.41 2 2 A 96 ALA H A 97 TYR HB3 1.0 . 5.81 3 3 A 96 ALA H A 100 LYS H 1.0 . 6.50 4 4 A 96 ALA H A 96 ALA HB% 1.0 . 3.06 5 5 A 96 ALA H A 95 ILE HB 1.0 . 3.82 6 6 A 96 ALA H A 98 LEU H 1.0 . 4.93 7 7 A 96 ALA H A 94 LEU HA 1.0 . 4.42 8 8 A 96 ALA H A 95 ILE HG2% 1.0 . 4.30 9 9 A 96 ALA H A 94 LEU HB3 1.0 . 5.73 10 10 A 96 ALA H A 93 ASP HB2 1.0 . 5.92 11 10 A 96 ALA H A 93 ASP HB3 1.0 . 5.92 12 11 A 96 ALA H A 94 LEU HB2 1.0 . 5.42 13 12 A 96 ALA H A 95 ILE HD1% 1.0 . 5.31 14 13 A 89 GLU H A 87 LYS HA 1.0 . 5.12 15 14 A 89 GLU H A 92 ALA HB% 1.0 . 5.36 16 15 A 89 GLU H A 88 LYS HB3 1.0 . 4.14 17 16 A 89 GLU H A 89 GLU HG2 1.0 . 4.52 18 17 A 89 GLU H A 87 LYS HB3 1.0 . 4.41 19 18 A 89 GLU H A 87 LYS HE2 1.0 . 5.73 20 18 A 89 GLU H A 87 LYS HE3 1.0 . 5.73 21 19 A 89 GLU H A 85 ILE HG2% 1.0 . 6.50 22 20 A 89 GLU H A 90 GLU H 1.0 . 4.12 23 21 A 89 GLU H A 88 LYS HD2 1.0 . 4.88 24 21 A 89 GLU H A 88 LYS HD3 1.0 . 4.88 25 22 A 89 GLU H A 89 GLU HB2 1.0 . 3.38 26 22 A 89 GLU H A 89 GLU HB3 1.0 . 3.38 27 23 A 89 GLU H A 87 LYS HG3 1.0 . 4.93 28 24 A 89 GLU H A 88 LYS HG2 1.0 . 5.03 29 24 A 89 GLU H A 88 LYS HG3 1.0 . 5.03 30 25 A 96 ALA H A 94 LEU H 1.0 . 5.04 31 26 A 94 LEU H A 9 ILE HG12 1.0 . 4.07 32 27 A 94 LEU H A 9 ILE HB 1.0 . 4.75 33 28 A 94 LEU H A 94 LEU HB3 1.0 . 3.58 34 29 A 94 LEU H A 94 LEU HG 1.0 . 4.17 35 30 A 94 LEU H A 6 GLY HA2 1.0 . 4.43 36 31 A 94 LEU H A 94 LEU HD1% 1.0 . 4.02 37 31 A 94 LEU H A 94 LEU HD2% 1.0 . 4.02 38 32 A 94 LEU H A 93 ASP HB2 1.0 . 3.58 39 32 A 94 LEU H A 93 ASP HB3 1.0 . 3.58 40 33 A 94 LEU H A 91 ARG HA 1.0 . 4.82 41 34 A 94 LEU H A 94 LEU HB2 1.0 . 3.51 42 35 A 94 LEU H A 95 ILE H 1.0 . 3.99 43 36 A 17 CYS HB3 A 18 HIS H 1.0 . 4.77 44 37 A 18 HIS H A 16 GLN HG2 1.0 . 6.50 45 38 A 18 HIS H A 14 CYS HB2 1.0 . 6.50 46 39 A 18 HIS H A 16 GLN H 1.0 . 5.81 47 40 A 18 HIS H A 17 CYS HB2 1.0 . 5.39 48 41 A 18 HIS H A 15 SER HA 1.0 . 4.18 49 42 A 18 HIS H A 18 HIS HD2 1.0 . 5.37 50 43 A 18 HIS H A 18 HIS HB3 1.0 . 4.03 51 44 A 18 HIS H A 32 LEU HD1% 1.0 . 6.19 52 45 A 18 HIS H A 19 THR H 1.0 . 5.83 53 46 A 18 HIS H A 18 HIS HB2 1.0 . 4.06 54 47 A 18 HIS H A 16 GLN HA 1.0 . 5.87 55 48 A 18 HIS H A 28 THR HB 1.0 . 5.82 56 49 A 18 HIS H A 18 HIS HD1 1.0 . 6.50 57 50 A 78 THR HG2% A 78 THR H 1.0 . 3.51 58 51 A 78 THR H A 79 LYS HB2 1.0 . 6.50 59 52 A 78 THR H A 78 THR HB 1.0 . 3.95 60 53 A 78 THR H A 75 ILE HB 1.0 . 5.67 61 54 A 78 THR H A 79 LYS HG2 1.0 . 6.47 62 55 A 68 LEU H A 68 LEU HG 1.0 . 4.20 63 56 A 68 LEU H A 67 TYR HB2 1.0 . 4.48 64 57 A 68 LEU H A 64 LEU HA 1.0 . 5.06 65 58 A 68 LEU H A 67 TYR HE% 1.0 . 6.50 66 59 A 68 LEU H A 68 LEU HB2 1.0 . 3.85 67 60 A 68 LEU H A 68 LEU HD1% 1.0 . 4.57 68 60 A 68 LEU H A 68 LEU HD2% 1.0 . 4.57 69 61 A 68 LEU H A 64 LEU HD1% 1.0 . 5.51 70 61 A 68 LEU H A 64 LEU HD2% 1.0 . 5.51 71 62 A 68 LEU H A 67 TYR HD% 1.0 . 6.50 72 63 A 68 LEU H A 65 MET HA 1.0 . 5.32 73 64 A 68 LEU H A 64 LEU HB3 1.0 . 5.64 74 65 A 68 LEU H A 85 ILE HB 1.0 . 6.04 75 66 A 68 LEU H A 67 TYR HB3 1.0 . 4.27 76 67 A 68 LEU H A 64 LEU HG 1.0 . 6.50 77 68 A 52 ASN H A 75 ILE HG2% 1.0 . 6.50 78 69 A 52 ASN H A 50 ALA HB% 1.0 . 6.50 79 70 A 52 ASN H A 51 ALA HB% 1.0 . 4.99 80 71 A 99 LYS H A 98 LEU HB2 1.0 . 4.16 81 72 A 95 ILE HA A 99 LYS H 1.0 . 5.09 82 73 A 99 LYS H A 99 LYS HD2 1.0 . 3.92 83 74 A 99 LYS H A 98 LEU HD1% 1.0 . 5.16 84 75 A 99 LYS H A 100 LYS H 1.0 . 4.08 85 76 A 99 LYS H A 36 PHE HD% 1.0 . 6.50 86 77 A 99 LYS H A 96 ALA HB% 1.0 . 4.82 87 78 A 99 LYS H A 99 LYS HE2 1.0 . 6.50 88 78 A 99 LYS H A 99 LYS HE3 1.0 . 6.50 89 79 A 99 LYS H A 99 LYS HG2 1.0 . 5.19 90 80 A 99 LYS H A 99 LYS HB2 1.0 . 3.64 91 81 A 99 LYS H A 96 ALA HA 1.0 . 4.47 92 82 A 99 LYS H A 98 LEU HD2% 1.0 . 5.80 93 83 A 99 LYS H A 99 LYS HD3 1.0 . 6.50 94 84 A 99 LYS H A 98 LEU HB3 1.0 . 4.18 95 85 A 99 LYS H A 103 ASN H 1.0 . 6.12 96 86 A 99 LYS H A 99 LYS HG3 1.0 . 5.05 97 87 A 58 ILE HB A 59 TRP H 1.0 . 5.27 98 88 A 59 TRP H A 59 TRP HE3 1.0 . 6.38 99 89 A 59 TRP H A 58 ILE HD1% 1.0 . 4.73 100 90 A 59 TRP H A 58 ILE HG13 1.0 . 5.43 101 91 A 59 TRP H A 58 ILE H 1.0 . 6.23 102 92 A 59 TRP H A 35 LEU HD1% 1.0 . 5.33 103 93 A 59 TRP H A 58 ILE HA 1.0 . 3.53 104 94 A 59 TRP H A 59 TRP HD1 1.0 . 5.24 105 95 A 59 TRP H A 58 ILE HG2% 1.0 . 4.66 106 96 A 59 TRP H A 58 ILE HG12 1.0 . 5.79 107 97 A 59 TRP H A 59 TRP HE1 1.0 . 6.50 108 98 A 59 TRP H A 59 TRP HB2 1.0 . 4.08 109 99 A 24 GLY H A 22 LYS HA 1.0 . 4.18 110 100 A 24 GLY H A 22 LYS HG2 1.0 . 6.50 111 101 A 24 GLY H A 21 GLU HG2 1.0 . 4.66 112 101 A 24 GLY H A 21 GLU HG3 1.0 . 4.66 113 102 A 24 GLY H A 21 GLU HB3 1.0 . 5.66 114 103 A 24 GLY H A 22 LYS HB2 1.0 . 6.50 115 104 A 24 GLY H A 22 LYS HG3 1.0 . 6.50 116 105 A 24 GLY H A 21 GLU HB2 1.0 . 5.83 117 106 A 41 GLY H A 40 THR HG2% 1.0 . 6.50 118 107 A 24 GLY HA2 A 31 ASN HD21 1.0 . 5.58 119 108 A 31 ASN HD21 A 32 LEU HB3 1.0 . 5.59 120 109 A 31 ASN HD21 A 19 THR HB 1.0 . 6.37 121 110 A 24 GLY H A 31 ASN HD21 1.0 . 4.77 122 111 A 31 ASN HD21 A 33 HIS HB2 1.0 . 5.36 123 112 A 31 ASN HD21 A 31 ASN HA 1.0 . 5.24 124 113 A 19 THR H A 31 ASN HD21 1.0 . 6.37 125 114 A 31 ASN HD21 A 33 HIS HB3 1.0 . 5.45 126 115 A 24 GLY HA3 A 31 ASN HD21 1.0 . 4.61 127 116 A 31 ASN HD21 A 32 LEU H 1.0 . 4.50 128 117 A 20 VAL H A 20 VAL HG2% 1.0 . 3.42 129 118 A 19 THR HB A 20 VAL H 1.0 . 3.68 130 119 A 20 VAL H A 21 GLU HG2 1.0 . 5.63 131 119 A 21 GLU HG3 A 20 VAL H 1.0 . 5.63 132 120 A 21 GLU HB3 A 20 VAL H 1.0 . 6.40 133 121 A 21 GLU HA A 20 VAL H 1.0 . 5.04 134 122 A 20 VAL H A 20 VAL HG1% 1.0 . 4.18 135 123 A 32 LEU HD1% A 20 VAL H 1.0 . 6.50 136 124 A 20 VAL H A 19 THR HG2% 1.0 . 4.39 137 125 A 20 VAL H A 22 LYS H 1.0 . 6.50 138 126 A 21 GLU HB2 A 20 VAL H 1.0 . 5.83 139 127 A 99 LYS H A 102 THR H 1.0 . 6.50 140 128 A 102 THR H A 103 ASN HB2 1.0 . 6.39 141 129 A 100 LYS H A 102 THR H 1.0 . 5.18 142 130 A 102 THR H A 100 LYS HB3 1.0 . 6.32 143 131 A 99 LYS HA A 102 THR H 1.0 . 5.93 144 132 A 98 LEU H A 102 THR H 1.0 . 6.50 145 133 A 102 THR H A 102 THR HG2% 1.0 . 3.52 146 134 A 102 THR H A 100 LYS HB2 1.0 . 6.45 147 135 A 98 LEU HA A 102 THR H 1.0 . 4.63 148 136 A 102 THR H A 100 LYS HA 1.0 . 5.73 149 137 A 102 THR H A 103 ASN HB3 1.0 . 6.15 150 138 A 102 THR H A 101 ALA HB% 1.0 . 3.85 151 139 A 101 ALA H A 102 THR H 1.0 . 3.93 152 140 A 73 LYS H A 72 LYS HE2 1.0 . 5.85 153 140 A 72 LYS HE3 A 73 LYS H 1.0 . 5.85 154 141 A 73 LYS H A 74 TYR HB2 1.0 . 5.79 155 142 A 73 LYS H A 73 LYS HD2 1.0 . 3.93 156 142 A 73 LYS H A 73 LYS HD3 1.0 . 3.93 157 143 A 73 LYS H A 71 PRO HD2 1.0 . 6.09 158 144 A 73 LYS H A 72 LYS HG3 1.0 . 5.22 159 145 A 73 LYS H A 72 LYS H 1.0 . 3.84 160 146 A 73 LYS H A 74 TYR HB3 1.0 . 6.29 161 147 A 73 LYS H A 71 PRO HB2 1.0 . 6.31 162 148 A 73 LYS H A 70 ASN HD22 1.0 . 5.83 163 149 A 73 LYS H A 73 LYS HG2 1.0 . 4.58 164 149 A 73 LYS H A 73 LYS HG3 1.0 . 4.58 165 150 A 73 LYS H A 73 LYS HE2 1.0 . 5.16 166 150 A 73 LYS H A 73 LYS HE3 1.0 . 5.16 167 151 A 73 LYS H A 74 TYR HA 1.0 . 6.50 168 152 A 73 LYS H A 73 LYS HB2 1.0 . 3.19 169 152 A 73 LYS H A 73 LYS HB3 1.0 . 3.19 170 153 A 73 LYS H A 72 LYS HG2 1.0 . 5.00 171 154 A 100 LYS H A 98 LEU HB2 1.0 . 5.97 172 155 A 100 LYS H A 3 VAL HG2% 1.0 . 5.18 173 156 A 100 LYS H A 100 LYS HB3 1.0 . 3.80 174 157 A 100 LYS H A 99 LYS HB3 1.0 . 4.58 175 158 A 100 LYS H A 100 LYS HG3 1.0 . 4.82 176 159 A 100 LYS H A 100 LYS HE2 1.0 . 6.50 177 159 A 100 LYS H A 100 LYS HE3 1.0 . 6.50 178 160 A 100 LYS H A 101 ALA HA 1.0 . 5.52 179 161 A 100 LYS H A 99 LYS HG2 1.0 . 5.49 180 162 A 100 LYS H A 99 LYS HB2 1.0 . 3.69 181 163 A 100 LYS H A 100 LYS HB2 1.0 . 3.71 182 164 A 100 LYS H A 98 LEU HA 1.0 . 5.50 183 165 A 100 LYS H A 3 VAL HG1% 1.0 . 5.05 184 166 A 100 LYS H A 98 LEU HB3 1.0 . 5.35 185 167 A 100 LYS H A 100 LYS HD2 1.0 . 5.67 186 167 A 100 LYS H A 100 LYS HD3 1.0 . 5.67 187 168 A 100 LYS H A 97 TYR H 1.0 . 6.11 188 169 A 100 LYS H A 101 ALA HB% 1.0 . 4.71 189 170 A 100 LYS H A 99 LYS HG3 1.0 . 5.80 190 171 A 80 MET HB2 A 82 PHE H 1.0 . 6.50 191 172 A 82 PHE H A 81 ILE HA 1.0 . 3.35 192 173 A 82 PHE H A 81 ILE HB 1.0 . 5.06 193 174 A 82 PHE H A 80 MET HG2 1.0 . 5.51 194 175 A 82 PHE H A 81 ILE HG2% 1.0 . 4.57 195 176 A 82 PHE H A 81 ILE HG13 1.0 . 5.78 196 177 A 82 PHE H A 81 ILE H 1.0 . 5.26 197 178 A 82 PHE H A 81 ILE HD1% 1.0 . 4.54 198 179 A 82 PHE H A 83 VAL HA 1.0 . 5.78 199 180 A 82 PHE H A 80 MET HA 1.0 . 6.29 200 181 A 82 PHE H A 81 ILE HG12 1.0 . 5.62 201 182 A 16 GLN HE21 A 16 GLN HB3 1.0 . 6.50 202 183 A 16 GLN HE21 A 16 GLN HB2 1.0 . 6.50 203 184 A 36 PHE HB2 A 103 ASN HD21 1.0 . 5.92 204 185 A 103 ASN HD21 A 36 PHE HB3 1.0 . 5.44 205 186 A 103 ASN HD21 A 36 PHE H 1.0 . 6.50 206 187 A 82 PHE H A 83 VAL H 1.0 . 5.94 207 188 A 83 VAL H A 83 VAL HG1% 1.0 . 3.56 208 188 A 83 VAL H A 83 VAL HG2% 1.0 . 3.56 209 189 A 83 VAL H A 82 PHE HE% 1.0 . 6.35 210 190 A 83 VAL H A 83 VAL HB 1.0 . 4.08 211 191 A 83 VAL H A 82 PHE HB3 1.0 . 6.50 212 192 A 83 VAL H A 82 PHE HD% 1.0 . 5.07 213 193 A 83 VAL H A 82 PHE HB2 1.0 . 5.63 214 194 A 58 ILE HB A 37 GLY H 1.0 . 6.50 215 195 A 58 ILE HD1% A 37 GLY H 1.0 . 4.23 216 196 A 36 PHE HB2 A 37 GLY H 1.0 . 5.11 217 197 A 59 TRP HB3 A 37 GLY H 1.0 . 5.55 218 198 A 36 PHE HB3 A 37 GLY H 1.0 . 4.85 219 199 A 36 PHE HD% A 37 GLY H 1.0 . 5.78 220 200 A 37 GLY H A 35 LEU HG 1.0 . 6.50 221 201 A 58 ILE HA A 37 GLY H 1.0 . 5.88 222 202 A 37 GLY H A 38 ARG HB2 1.0 . 5.31 223 202 A 37 GLY H A 38 ARG HB3 1.0 . 5.31 224 203 A 37 GLY H A 38 ARG HG3 1.0 . 6.50 225 204 A 36 PHE H A 37 GLY H 1.0 . 5.85 226 205 A 38 ARG H A 37 GLY H 1.0 . 3.83 227 206 A 37 GLY H A 36 PHE HA 1.0 . 3.32 228 207 A 17 CYS HB3 A 16 GLN H 1.0 . 6.50 229 208 A 16 GLN HG2 A 16 GLN H 1.0 . 5.20 230 209 A 16 GLN H A 16 GLN HE21 1.0 . 6.50 231 210 A 16 GLN H A 17 CYS HB2 1.0 . 6.50 232 211 A 16 GLN H A 14 CYS H 1.0 . 5.84 233 212 A 16 GLN H A 17 CYS H 1.0 . 4.32 234 213 A 16 GLN H A 16 GLN HB3 1.0 . 3.93 235 214 A 16 GLN H A 15 SER HB2 1.0 . 5.04 236 215 A 16 GLN H A 16 GLN HG3 1.0 . 4.40 237 216 A 16 GLN H A 16 GLN HB2 1.0 . 3.88 238 217 A 16 GLN H A 14 CYS HA 1.0 . 6.50 239 218 A 16 GLN H A 15 SER HB3 1.0 . 5.89 240 219 A 59 TRP HE3 A 64 LEU H 1.0 . 4.86 241 220 A 64 LEU H A 63 THR HG2% 1.0 . 4.76 242 221 A 64 LEU H A 60 GLY HA3 1.0 . 5.21 243 222 A 64 LEU H A 59 TRP HZ3 1.0 . 5.81 244 223 A 64 LEU H A 64 LEU HD1% 1.0 . 4.47 245 223 A 64 LEU HD2% A 64 LEU H 1.0 . 4.47 246 224 A 60 GLY H A 64 LEU H 1.0 . 4.06 247 225 A 64 LEU H A 64 LEU HB2 1.0 . 3.63 248 226 A 64 LEU H A 63 THR HB 1.0 . 5.00 249 227 A 64 LEU H A 66 GLU H 1.0 . 5.51 250 228 A 95 ILE HD1% A 64 LEU H 1.0 . 4.77 251 229 A 64 LEU HG A 64 LEU H 1.0 . 4.28 252 230 A 27 LYS H A 28 THR HA 1.0 . 6.43 253 231 A 27 LYS H A 27 LYS HG2 1.0 . 4.62 254 231 A 27 LYS H A 27 LYS HG3 1.0 . 4.62 255 232 A 27 LYS H A 27 LYS HD2 1.0 . 6.50 256 233 A 27 LYS H A 26 HIS HB2 1.0 . 5.70 257 234 A 27 LYS H A 27 LYS HE2 1.0 . 6.50 258 234 A 27 LYS H A 27 LYS HE3 1.0 . 6.50 259 235 A 27 LYS H A 46 TYR HD% 1.0 . 6.50 260 236 A 27 LYS H A 27 LYS HD3 1.0 . 5.80 261 237 A 27 LYS H A 26 HIS HB3 1.0 . 5.59 262 238 A 65 MET H A 62 ASP HA 1.0 . 4.93 263 239 A 68 LEU H A 65 MET H 1.0 . 5.54 264 240 A 65 MET H A 66 GLU HG2 1.0 . 6.32 265 241 A 65 MET H A 64 LEU H 1.0 . 4.14 266 242 A 65 MET H A 65 MET HB3 1.0 . 4.12 267 243 A 65 MET H A 65 MET HG2 1.0 . 4.40 268 244 A 65 MET H A 61 GLU HA 1.0 . 4.90 269 245 A 65 MET H A 64 LEU HD1% 1.0 . 5.66 270 245 A 65 MET H A 64 LEU HD2% 1.0 . 5.66 271 246 A 65 MET H A 67 TYR H 1.0 . 5.33 272 247 A 65 MET H A 66 GLU HG3 1.0 . 6.08 273 248 A 65 MET H A 64 LEU HB2 1.0 . 4.14 274 249 A 65 MET H A 63 THR HA 1.0 . 5.71 275 250 A 65 MET H A 64 LEU HB3 1.0 . 4.44 276 251 A 65 MET H A 65 MET HG3 1.0 . 4.85 277 252 A 95 ILE HD1% A 65 MET H 1.0 . 4.14 278 253 A 65 MET H A 65 MET HB2 1.0 . 3.76 279 254 A 65 MET H A 64 LEU HG 1.0 . 5.45 280 255 A 74 TYR H A 72 LYS HE2 1.0 . 5.02 281 255 A 72 LYS HE3 A 74 TYR H 1.0 . 5.02 282 256 A 74 TYR H A 74 TYR HE% 1.0 . 6.50 283 257 A 74 TYR HB2 A 74 TYR H 1.0 . 3.73 284 258 A 74 TYR H A 75 ILE HG12 1.0 . 6.12 285 258 A 74 TYR H A 75 ILE HG13 1.0 . 6.12 286 259 A 73 LYS H A 74 TYR H 1.0 . 3.59 287 260 A 74 TYR H A 72 LYS H 1.0 . 5.14 288 261 A 74 TYR H A 71 PRO HA 1.0 . 4.68 289 262 A 74 TYR H A 74 TYR HB3 1.0 . 3.75 290 263 A 74 TYR H A 73 LYS HG2 1.0 . 4.70 291 263 A 74 TYR H A 73 LYS HG3 1.0 . 4.70 292 264 A 74 TYR H A 74 TYR HD% 1.0 . 4.92 293 265 A 74 TYR H A 75 ILE HD1% 1.0 . 6.32 294 266 A 75 ILE HB A 74 TYR H 1.0 . 5.61 295 267 A 74 TYR H A 75 ILE H 1.0 . 3.83 296 268 A 74 TYR H A 73 LYS HB2 1.0 . 3.58 297 268 A 74 TYR H A 73 LYS HB3 1.0 . 3.58 298 269 A 9 ILE HD1% A 93 ASP H 1.0 . 4.90 299 270 A 93 ASP H A 1 GLY HA3 1.0 . 6.50 300 271 A 92 ALA HB% A 93 ASP H 1.0 . 3.57 301 272 A 93 ASP H A 1 GLY HA2 1.0 . 6.50 302 273 A 94 LEU HB3 A 93 ASP H 1.0 . 4.95 303 274 A 92 ALA H A 93 ASP H 1.0 . 3.95 304 275 A 93 ASP H A 93 ASP HB2 1.0 . 3.43 305 275 A 93 ASP HB3 A 93 ASP H 1.0 . 3.43 306 276 A 91 ARG HA A 93 ASP H 1.0 . 6.23 307 277 A 94 LEU HB2 A 93 ASP H 1.0 . 4.94 308 278 A 93 ASP H A 2 ASP H 1.0 . 6.50 309 279 A 58 ILE HB A 58 ILE H 1.0 . 3.78 310 280 A 58 ILE HD1% A 58 ILE H 1.0 . 4.89 311 281 A 58 ILE HG13 A 58 ILE H 1.0 . 4.62 312 282 A 58 ILE H A 57 ILE HB 1.0 . 4.13 313 283 A 58 ILE H A 58 ILE HG2% 1.0 . 5.31 314 284 A 58 ILE H A 58 ILE HG12 1.0 . 4.16 315 285 A 17 CYS HB3 A 29 GLY H 1.0 . 5.37 316 286 A 17 CYS HA A 29 GLY H 1.0 . 4.93 317 287 A 17 CYS HB2 A 29 GLY H 1.0 . 5.08 318 288 A 27 LYS HB2 A 29 GLY H 1.0 . 6.30 319 289 A 28 THR HG2% A 29 GLY H 1.0 . 5.00 320 290 A 46 TYR HD% A 29 GLY H 1.0 . 6.50 321 291 A 27 LYS HB3 A 29 GLY H 1.0 . 4.97 322 292 A 28 THR HB A 29 GLY H 1.0 . 4.88 323 293 A 24 GLY H A 23 GLY H 1.0 . 4.85 324 294 A 31 ASN HD21 A 23 GLY H 1.0 . 6.50 325 295 A 22 LYS HG2 A 23 GLY H 1.0 . 5.15 326 296 A 23 GLY H A 21 GLU HG2 1.0 . 6.50 327 296 A 21 GLU HG3 A 23 GLY H 1.0 . 6.50 328 297 A 23 GLY H A 22 LYS HE2 1.0 . 5.75 329 297 A 23 GLY H A 22 LYS HE3 1.0 . 5.75 330 298 A 23 GLY H A 22 LYS HB3 1.0 . 5.58 331 299 A 22 LYS HB2 A 23 GLY H 1.0 . 5.78 332 300 A 22 LYS HG3 A 23 GLY H 1.0 . 5.10 333 301 A 4 GLU HG3 A 5 LYS H 1.0 . 5.53 334 302 A 5 LYS H A 5 LYS HG2 1.0 . 3.71 335 303 A 5 LYS H A 4 GLU HB3 1.0 . 4.01 336 304 A 3 VAL HG2% A 5 LYS H 1.0 . 5.49 337 305 A 5 LYS H A 2 ASP HB3 1.0 . 5.50 338 306 A 5 LYS H A 5 LYS HG3 1.0 . 4.20 339 307 A 5 LYS H A 4 GLU HG2 1.0 . 5.05 340 308 A 5 LYS H A 2 ASP HB2 1.0 . 4.89 341 309 A 5 LYS H A 4 GLU HB2 1.0 . 4.02 342 310 A 3 VAL HG1% A 5 LYS H 1.0 . 5.29 343 311 A 5 LYS H A 93 ASP HB2 1.0 . 5.16 344 311 A 93 ASP HB3 A 5 LYS H 1.0 . 5.16 345 312 A 5 LYS H A 5 LYS HE2 1.0 . 5.71 346 312 A 5 LYS H A 5 LYS HE3 1.0 . 5.71 347 313 A 5 LYS H A 6 GLY H 1.0 . 3.94 348 314 A 5 LYS H A 5 LYS HB2 1.0 . 3.32 349 314 A 5 LYS H A 5 LYS HB3 1.0 . 3.32 350 315 A 63 THR H A 62 ASP HB2 1.0 . 4.33 351 316 A 59 TRP HE3 A 63 THR H 1.0 . 6.09 352 317 A 63 THR H A 61 GLU HB2 1.0 . 5.50 353 317 A 63 THR H A 61 GLU HB3 1.0 . 5.50 354 318 A 63 THR HG2% A 63 THR H 1.0 . 3.68 355 319 A 64 LEU H A 63 THR H 1.0 . 3.79 356 320 A 63 THR H A 62 ASP HB3 1.0 . 4.27 357 321 A 63 THR H A 66 GLU HB3 1.0 . 6.20 358 322 A 63 THR H A 64 LEU HD1% 1.0 . 6.50 359 322 A 64 LEU HD2% A 63 THR H 1.0 . 6.50 360 323 A 63 THR H A 60 GLY HA2 1.0 . 5.22 361 324 A 63 THR H A 64 LEU HB2 1.0 . 5.17 362 325 A 64 LEU HB3 A 63 THR H 1.0 . 5.81 363 326 A 64 LEU HG A 63 THR H 1.0 . 6.15 364 327 A 14 CYS H A 13 LYS HB3 1.0 . 4.79 365 328 A 14 CYS H A 11 ILE HA 1.0 . 5.89 366 329 A 14 CYS H A 10 PHE HA 1.0 . 4.47 367 330 A 15 SER HA A 14 CYS H 1.0 . 5.39 368 331 A 14 CYS H A 13 LYS HD2 1.0 . 5.17 369 331 A 14 CYS H A 13 LYS HD3 1.0 . 5.17 370 332 A 14 CYS H A 12 MET HA 1.0 . 6.29 371 333 A 14 CYS H A 15 SER HB2 1.0 . 6.50 372 334 A 14 CYS H A 13 LYS HB2 1.0 . 4.48 373 335 A 14 CYS H A 13 LYS H 1.0 . 3.53 374 336 A 14 CYS H A 12 MET HB3 1.0 . 5.59 375 337 A 14 CYS H A 14 CYS HB3 1.0 . 4.16 376 338 A 14 CYS H A 10 PHE HD1 1.0 . 6.43 377 339 A 14 CYS H A 15 SER HB3 1.0 . 5.60 378 340 A 102 THR H A 34 GLY H 1.0 . 6.50 379 341 A 34 GLY H A 33 HIS HA 1.0 . 3.52 380 342 A 34 GLY H A 38 ARG HD2 1.0 . 6.50 381 343 A 33 HIS HB2 A 34 GLY H 1.0 . 5.25 382 344 A 34 GLY H A 35 LEU HA 1.0 . 5.96 383 345 A 34 GLY H A 102 THR HA 1.0 . 4.55 384 346 A 34 GLY H A 35 LEU H 1.0 . 4.04 385 347 A 34 GLY H A 35 LEU HB2 1.0 . 5.41 386 348 A 34 GLY H A 102 THR HG2% 1.0 . 4.48 387 349 A 34 GLY H A 35 LEU HB3 1.0 . 5.20 388 350 A 33 HIS HB3 A 34 GLY H 1.0 . 5.12 389 351 A 32 LEU HB3 A 33 HIS H 1.0 . 5.38 390 352 A 34 GLY HA3 A 33 HIS H 1.0 . 5.82 391 353 A 33 HIS H A 32 LEU HD2% 1.0 . 6.02 392 354 A 31 ASN HB3 A 33 HIS H 1.0 . 6.50 393 355 A 33 HIS HB2 A 33 HIS H 1.0 . 4.15 394 356 A 34 GLY H A 33 HIS H 1.0 . 5.83 395 357 A 33 HIS H A 32 LEU HB2 1.0 . 5.34 396 358 A 102 THR HA A 33 HIS H 1.0 . 6.37 397 359 A 102 THR HG2% A 33 HIS H 1.0 . 5.57 398 360 A 33 HIS H A 34 GLY HA2 1.0 . 6.50 399 361 A 20 VAL HG1% A 33 HIS H 1.0 . 6.50 400 362 A 32 LEU HD1% A 33 HIS H 1.0 . 6.50 401 363 A 31 ASN HA A 33 HIS H 1.0 . 6.11 402 364 A 33 HIS H A 32 LEU HG 1.0 . 6.15 403 365 A 33 HIS HB3 A 33 HIS H 1.0 . 4.02 404 366 A 32 LEU H A 33 HIS H 1.0 . 4.21 405 367 A 39 LYS H A 39 LYS HD2 1.0 . 5.28 406 367 A 39 LYS H A 39 LYS HD3 1.0 . 5.28 407 368 A 39 LYS H A 39 LYS HG2 1.0 . 4.59 408 368 A 39 LYS H A 39 LYS HG3 1.0 . 4.59 409 369 A 39 LYS H A 38 ARG HB2 1.0 . 4.31 410 369 A 38 ARG HB3 A 39 LYS H 1.0 . 4.31 411 370 A 38 ARG HG3 A 39 LYS H 1.0 . 5.22 412 371 A 39 LYS H A 40 THR H 1.0 . 6.50 413 372 A 42 GLN HE21 A 42 GLN HA 1.0 . 6.50 414 373 A 42 GLN HE21 A 42 GLN HB2 1.0 . 5.49 415 374 A 50 ALA HB% A 42 GLN HE21 1.0 . 5.95 416 375 A 42 GLN H A 42 GLN HE21 1.0 . 6.50 417 376 A 62 ASP H A 62 ASP HB2 1.0 . 3.73 418 377 A 62 ASP H A 61 GLU HB2 1.0 . 3.53 419 377 A 62 ASP H A 61 GLU HB3 1.0 . 3.53 420 378 A 63 THR HG2% A 62 ASP H 1.0 . 5.46 421 379 A 64 LEU H A 62 ASP H 1.0 . 5.31 422 380 A 65 MET H A 62 ASP H 1.0 . 6.50 423 381 A 63 THR H A 62 ASP H 1.0 . 3.75 424 382 A 60 GLY HA3 A 62 ASP H 1.0 . 4.71 425 383 A 62 ASP H A 62 ASP HB3 1.0 . 3.94 426 384 A 62 ASP H A 61 GLU HG2 1.0 . 5.08 427 385 A 60 GLY H A 62 ASP H 1.0 . 6.27 428 386 A 62 ASP H A 61 GLU HG3 1.0 . 5.15 429 387 A 64 LEU HG A 62 ASP H 1.0 . 6.50 430 388 A 17 CYS HB3 A 17 CYS H 1.0 . 4.07 431 389 A 18 HIS H A 17 CYS H 1.0 . 3.48 432 390 A 16 GLN HG2 A 17 CYS H 1.0 . 5.38 433 391 A 17 CYS H A 16 GLN HB3 1.0 . 4.67 434 392 A 17 CYS H A 15 SER HB2 1.0 . 6.18 435 393 A 17 CYS H A 16 GLN HG3 1.0 . 5.02 436 394 A 17 CYS H A 18 HIS HA 1.0 . 6.50 437 395 A 17 CYS H A 16 GLN HB2 1.0 . 4.71 438 396 A 17 CYS H A 18 HIS HB2 1.0 . 5.72 439 397 A 78 THR HG2% A 72 LYS H 1.0 . 4.97 440 398 A 72 LYS H A 72 LYS HE2 1.0 . 6.50 441 398 A 72 LYS HE3 A 72 LYS H 1.0 . 6.50 442 399 A 72 LYS H A 72 LYS HB2 1.0 . 3.62 443 400 A 71 PRO HD2 A 72 LYS H 1.0 . 4.92 444 401 A 72 LYS HG3 A 72 LYS H 1.0 . 4.73 445 402 A 72 LYS H A 72 LYS HD2 1.0 . 4.26 446 402 A 72 LYS H A 72 LYS HD3 1.0 . 4.26 447 403 A 72 LYS H A 71 PRO HB2 1.0 . 3.93 448 404 A 72 LYS H A 72 LYS HB3 1.0 . 3.99 449 405 A 70 ASN H A 72 LYS H 1.0 . 6.50 450 406 A 72 LYS H A 71 PRO HG2 1.0 . 5.10 451 407 A 72 LYS H A 72 LYS HG2 1.0 . 4.24 452 408 A 98 LEU H A 98 LEU HB2 1.0 . 3.63 453 409 A 98 LEU H A 98 LEU HD1% 1.0 . 3.98 454 410 A 97 TYR HB3 A 98 LEU H 1.0 . 4.02 455 411 A 100 LYS H A 98 LEU H 1.0 . 5.13 456 412 A 98 LEU H A 98 LEU HG 1.0 . 3.44 457 413 A 98 LEU H A 97 TYR HD2 1.0 . 4.71 458 414 A 98 LEU H A 97 TYR HB2 1.0 . 4.51 459 415 A 98 LEU H A 97 TYR HD1 1.0 . 5.04 460 416 A 98 LEU H A 98 LEU HD2% 1.0 . 4.35 461 417 A 98 LEU H A 98 LEU HB3 1.0 . 3.93 462 418 A 98 LEU H A 101 ALA HB% 1.0 . 5.40 463 419 A 54 ASN H A 53 LYS H 1.0 . 5.80 464 420 A 52 ASN HB3 A 53 LYS H 1.0 . 6.07 465 421 A 53 LYS H A 53 LYS HG2 1.0 . 5.34 466 421 A 53 LYS H A 53 LYS HG3 1.0 . 5.34 467 422 A 52 ASN HB2 A 53 LYS H 1.0 . 5.47 468 423 A 51 ALA HB% A 53 LYS H 1.0 . 4.95 469 424 A 53 LYS H A 53 LYS HE2 1.0 . 6.50 470 424 A 53 LYS H A 53 LYS HE3 1.0 . 6.50 471 425 A 53 LYS H A 53 LYS HD2 1.0 . 6.23 472 425 A 53 LYS H A 53 LYS HD3 1.0 . 6.23 473 426 A 12 MET HG3 A 12 MET H 1.0 . 4.55 474 427 A 12 MET H A 11 ILE HG2% 1.0 . 4.42 475 428 A 12 MET H A 12 MET HB2 1.0 . 3.75 476 429 A 12 MET H A 9 ILE HG2% 1.0 . 5.93 477 430 A 13 LYS HB2 A 12 MET H 1.0 . 5.87 478 431 A 12 MET H A 11 ILE HD1% 1.0 . 5.05 479 432 A 12 MET H A 12 MET HG2 1.0 . 4.42 480 433 A 12 MET H A 8 LYS HA 1.0 . 5.34 481 434 A 12 MET H A 11 ILE HG13 1.0 . 5.93 482 435 A 12 MET HB3 A 12 MET H 1.0 . 3.99 483 436 A 12 MET H A 9 ILE HA 1.0 . 4.81 484 437 A 12 MET H A 11 ILE HB 1.0 . 3.78 485 438 A 10 PHE H A 97 TYR HE2 1.0 . 6.44 486 439 A 10 PHE HB2 A 10 PHE H 1.0 . 3.66 487 440 A 9 ILE HD1% A 10 PHE H 1.0 . 4.55 488 441 A 10 PHE H A 11 ILE HG12 1.0 . 5.94 489 442 A 10 PHE H A 7 LYS HA 1.0 . 4.38 490 443 A 9 ILE HG12 A 10 PHE H 1.0 . 4.30 491 444 A 11 ILE HA A 10 PHE H 1.0 . 6.50 492 445 A 12 MET H A 10 PHE H 1.0 . 5.35 493 446 A 10 PHE HB3 A 10 PHE H 1.0 . 3.66 494 447 A 9 ILE HB A 10 PHE H 1.0 . 3.68 495 448 A 10 PHE H A 9 ILE HG2% 1.0 . 4.40 496 449 A 94 LEU HG A 10 PHE H 1.0 . 3.57 497 450 A 10 PHE H A 11 ILE HD1% 1.0 . 5.54 498 451 A 6 GLY HA2 A 10 PHE H 1.0 . 5.50 499 452 A 10 PHE H A 94 LEU HD1% 1.0 . 5.19 500 452 A 94 LEU HD2% A 10 PHE H 1.0 . 5.19 501 453 A 10 PHE H A 11 ILE HG13 1.0 . 5.30 502 454 A 10 PHE HD1 A 10 PHE H 1.0 . 5.11 503 455 A 10 PHE H A 9 ILE H 1.0 . 3.85 504 456 A 87 LYS H A 87 LYS HB2 1.0 . 3.93 505 457 A 87 LYS H A 86 LYS HB2 1.0 . 3.70 506 457 A 87 LYS H A 86 LYS HB3 1.0 . 3.70 507 458 A 87 LYS H A 87 LYS HD2 1.0 . 3.80 508 458 A 87 LYS H A 87 LYS HD3 1.0 . 3.80 509 459 A 87 LYS H A 87 LYS HG2 1.0 . 3.90 510 460 A 87 LYS HB3 A 87 LYS H 1.0 . 3.87 511 461 A 87 LYS H A 87 LYS HE2 1.0 . 5.79 512 461 A 87 LYS HE3 A 87 LYS H 1.0 . 5.79 513 462 A 87 LYS H A 90 GLU HG3 1.0 . 5.75 514 463 A 87 LYS HG3 A 87 LYS H 1.0 . 3.95 515 464 A 87 LYS H A 86 LYS H 1.0 . 4.98 516 465 A 87 LYS H A 90 GLU HB2 1.0 . 4.98 517 466 A 87 LYS H A 85 ILE HA 1.0 . 4.46 518 467 A 35 LEU HD2% A 35 LEU H 1.0 . 4.80 519 468 A 36 PHE HB2 A 35 LEU H 1.0 . 6.18 520 469 A 35 LEU H A 32 LEU HD2% 1.0 . 6.50 521 470 A 33 HIS HA A 35 LEU H 1.0 . 4.73 522 471 A 33 HIS H A 35 LEU H 1.0 . 6.50 523 472 A 102 THR HA A 35 LEU H 1.0 . 4.87 524 473 A 35 LEU HD1% A 35 LEU H 1.0 . 4.62 525 474 A 35 LEU HG A 35 LEU H 1.0 . 5.22 526 475 A 35 LEU H A 35 LEU HB2 1.0 . 3.58 527 476 A 102 THR HG2% A 35 LEU H 1.0 . 4.36 528 477 A 35 LEU H A 35 LEU HB3 1.0 . 3.68 529 478 A 51 ALA HA A 54 ASN HD22 1.0 . 6.20 530 479 A 54 ASN HD22 A 54 ASN HB2 1.0 . 3.94 531 479 A 54 ASN HB3 A 54 ASN HD22 1.0 . 3.94 532 480 A 50 ALA HB% A 54 ASN HD22 1.0 . 4.85 533 481 A 16 GLN H A 16 GLN HE22 1.0 . 6.50 534 482 A 16 GLN HB3 A 16 GLN HE22 1.0 . 6.50 535 483 A 16 GLN HB2 A 16 GLN HE22 1.0 . 6.50 536 484 A 103 ASN H A 103 ASN HD22 1.0 . 5.77 537 485 A 42 GLN HB2 A 43 ALA H 1.0 . 6.50 538 486 A 43 ALA H A 42 GLN HB3 1.0 . 6.50 539 487 A 25 LYS HB2 A 26 HIS H 1.0 . 5.21 540 488 A 26 HIS H A 25 LYS HB3 1.0 . 5.49 541 489 A 26 HIS H A 25 LYS HG2 1.0 . 6.12 542 489 A 26 HIS H A 25 LYS HG3 1.0 . 6.12 543 490 A 104 GLU H A 104 GLU HG2 1.0 . 3.96 544 490 A 104 GLU H A 104 GLU HG3 1.0 . 3.96 545 491 A 103 ASN HB2 A 104 GLU H 1.0 . 4.82 546 492 A 102 THR H A 104 GLU H 1.0 . 5.17 547 493 A 104 GLU H A 104 GLU HB2 1.0 . 3.88 548 494 A 101 ALA HA A 104 GLU H 1.0 . 4.80 549 495 A 102 THR HG2% A 104 GLU H 1.0 . 6.50 550 496 A 104 GLU H A 104 GLU HB3 1.0 . 3.85 551 497 A 104 GLU H A 103 ASN HB3 1.0 . 4.94 552 498 A 104 GLU H A 101 ALA HB% 1.0 . 5.94 553 499 A 101 ALA H A 104 GLU H 1.0 . 6.50 554 500 A 5 LYS HA A 8 LYS H 1.0 . 4.57 555 501 A 8 LYS H A 8 LYS HE2 1.0 . 5.86 556 501 A 8 LYS H A 8 LYS HE3 1.0 . 5.86 557 502 A 8 LYS H A 8 LYS HG2 1.0 . 4.28 558 503 A 5 LYS H A 8 LYS H 1.0 . 5.37 559 504 A 8 LYS H A 7 LYS HB3 1.0 . 4.47 560 505 A 8 LYS H A 10 PHE H 1.0 . 5.35 561 506 A 8 LYS H A 8 LYS HB2 1.0 . 3.61 562 506 A 8 LYS HB3 A 8 LYS H 1.0 . 3.61 563 507 A 9 ILE HB A 8 LYS H 1.0 . 5.15 564 508 A 8 LYS H A 4 GLU HA 1.0 . 5.36 565 509 A 8 LYS H A 11 ILE HD1% 1.0 . 4.94 566 510 A 8 LYS H A 8 LYS HD2 1.0 . 4.60 567 510 A 8 LYS H A 8 LYS HD3 1.0 . 4.60 568 511 A 8 LYS H A 7 LYS HD2 1.0 . 4.68 569 511 A 8 LYS H A 7 LYS HD3 1.0 . 4.68 570 512 A 8 LYS H A 8 LYS HG3 1.0 . 4.31 571 513 A 8 LYS H A 7 LYS HB2 1.0 . 3.79 572 514 A 8 LYS H A 11 ILE HB 1.0 . 5.05 573 515 A 8 LYS H A 9 ILE H 1.0 . 3.87 574 516 A 67 TYR HB2 A 67 TYR H 1.0 . 3.91 575 517 A 64 LEU HA A 67 TYR H 1.0 . 4.39 576 518 A 67 TYR H A 64 LEU HD1% 1.0 . 6.07 577 518 A 64 LEU HD2% A 67 TYR H 1.0 . 6.07 578 519 A 67 TYR H A 66 GLU HG3 1.0 . 5.30 579 520 A 67 TYR HD% A 67 TYR H 1.0 . 5.65 580 521 A 67 TYR HB3 A 67 TYR H 1.0 . 3.84 581 522 A 90 GLU H A 87 LYS HB2 1.0 . 4.00 582 523 A 88 LYS HA A 90 GLU H 1.0 . 5.80 583 524 A 90 GLU H A 87 LYS HD2 1.0 . 4.59 584 524 A 90 GLU H A 87 LYS HD3 1.0 . 4.59 585 525 A 90 GLU H A 90 GLU HG2 1.0 . 4.39 586 526 A 90 GLU H A 87 LYS HG2 1.0 . 5.27 587 527 A 90 GLU H A 93 ASP H 1.0 . 6.36 588 528 A 90 GLU H A 90 GLU HB3 1.0 . 4.03 589 529 A 89 GLU HG2 A 90 GLU H 1.0 . 4.90 590 530 A 87 LYS HB3 A 90 GLU H 1.0 . 4.44 591 531 A 90 GLU H A 87 LYS H 1.0 . 6.08 592 532 A 90 GLU H A 87 LYS HE2 1.0 . 6.13 593 532 A 87 LYS HE3 A 90 GLU H 1.0 . 6.13 594 533 A 85 ILE HG2% A 90 GLU H 1.0 . 4.42 595 534 A 90 GLU H A 89 GLU HB2 1.0 . 4.03 596 534 A 90 GLU H A 89 GLU HB3 1.0 . 4.03 597 535 A 90 GLU H A 87 LYS HG3 1.0 . 4.64 598 536 A 90 GLU H A 92 ALA H 1.0 . 5.24 599 537 A 90 GLU H A 93 ASP HB2 1.0 . 6.50 600 537 A 93 ASP HB3 A 90 GLU H 1.0 . 6.50 601 538 A 90 GLU H A 91 ARG HA 1.0 . 5.95 602 539 A 90 GLU H A 90 GLU HB2 1.0 . 3.82 603 540 A 61 GLU H A 61 GLU HB2 1.0 . 3.79 604 540 A 61 GLU HB3 A 61 GLU H 1.0 . 3.79 605 541 A 36 PHE HD% A 61 GLU H 1.0 . 5.33 606 542 A 63 THR H A 61 GLU H 1.0 . 6.50 607 543 A 62 ASP H A 61 GLU H 1.0 . 4.68 608 544 A 62 ASP HB3 A 61 GLU H 1.0 . 6.35 609 545 A 95 ILE HG2% A 61 GLU H 1.0 . 5.51 610 546 A 61 GLU HG2 A 61 GLU H 1.0 . 4.38 611 547 A 60 GLY H A 61 GLU H 1.0 . 6.27 612 548 A 61 GLU H A 61 GLU HG3 1.0 . 4.59 613 549 A 64 LEU HG A 61 GLU H 1.0 . 6.29 614 550 A 59 TRP HE3 A 60 GLY H 1.0 . 4.09 615 551 A 58 ILE HD1% A 60 GLY H 1.0 . 5.26 616 552 A 59 TRP HB3 A 60 GLY H 1.0 . 4.48 617 553 A 60 GLY H A 63 THR HG2% 1.0 . 4.62 618 554 A 59 TRP H A 60 GLY H 1.0 . 5.61 619 555 A 36 PHE HD% A 60 GLY H 1.0 . 6.25 620 556 A 60 GLY H A 63 THR H 1.0 . 4.71 621 557 A 60 GLY H A 59 TRP HZ3 1.0 . 6.13 622 558 A 60 GLY H A 58 ILE HG2% 1.0 . 6.00 623 559 A 60 GLY H A 64 LEU HB2 1.0 . 5.62 624 560 A 60 GLY H A 63 THR HB 1.0 . 5.48 625 561 A 60 GLY H A 59 TRP HB2 1.0 . 4.68 626 562 A 64 LEU HG A 60 GLY H 1.0 . 4.65 627 563 A 24 GLY HA2 A 31 ASN HD22 1.0 . 4.48 628 564 A 19 THR HB A 31 ASN HD22 1.0 . 6.15 629 565 A 24 GLY H A 31 ASN HD22 1.0 . 4.76 630 566 A 33 HIS HB2 A 31 ASN HD22 1.0 . 6.08 631 567 A 31 ASN HD22 A 31 ASN HA 1.0 . 4.79 632 568 A 31 ASN HD22 A 22 LYS H 1.0 . 6.40 633 569 A 31 ASN HD22 A 33 HIS HB3 1.0 . 5.93 634 570 A 24 GLY HA3 A 31 ASN HD22 1.0 . 5.00 635 571 A 70 ASN HD22 A 70 ASN HA 1.0 . 5.50 636 572 A 70 ASN HD22 A 70 ASN HB2 1.0 . 3.49 637 572 A 70 ASN HD22 A 70 ASN HB3 1.0 . 3.49 638 573 A 68 LEU HA A 70 ASN H 1.0 . 5.28 639 574 A 70 ASN H A 69 GLU HG3 1.0 . 5.27 640 575 A 68 LEU H A 70 ASN H 1.0 . 5.86 641 576 A 70 ASN H A 71 PRO HG3 1.0 . 5.96 642 577 A 70 ASN H A 71 PRO HD2 1.0 . 5.04 643 578 A 70 ASN H A 68 LEU HD1% 1.0 . 6.50 644 578 A 68 LEU HD2% A 70 ASN H 1.0 . 6.50 645 579 A 67 TYR HA A 70 ASN H 1.0 . 5.40 646 580 A 70 ASN H A 69 GLU HB3 1.0 . 4.51 647 581 A 70 ASN H A 71 PRO HA 1.0 . 6.01 648 582 A 70 ASN H A 69 GLU HB2 1.0 . 4.08 649 583 A 70 ASN H A 67 TYR H 1.0 . 6.50 650 584 A 70 ASN H A 71 PRO HB2 1.0 . 6.50 651 585 A 70 ASN H A 70 ASN HD22 1.0 . 6.50 652 586 A 70 ASN H A 69 GLU HG2 1.0 . 5.48 653 587 A 70 ASN H A 73 LYS HG2 1.0 . 6.50 654 587 A 70 ASN H A 73 LYS HG3 1.0 . 6.50 655 588 A 70 ASN H A 71 PRO HG2 1.0 . 6.12 656 589 A 70 ASN H A 73 LYS HE2 1.0 . 5.21 657 589 A 70 ASN H A 73 LYS HE3 1.0 . 5.21 658 590 A 70 ASN H A 71 PRO HD3 1.0 . 4.33 659 591 A 70 ASN H A 73 LYS HB2 1.0 . 5.34 660 591 A 70 ASN H A 73 LYS HB3 1.0 . 5.34 661 592 A 4 GLU HG3 A 3 VAL H 1.0 . 6.50 662 593 A 3 VAL H A 3 VAL HB 1.0 . 3.75 663 594 A 5 LYS HG2 A 3 VAL H 1.0 . 6.50 664 595 A 4 GLU HB3 A 3 VAL H 1.0 . 5.86 665 596 A 3 VAL H A 97 TYR HA 1.0 . 6.40 666 597 A 3 VAL HG2% A 3 VAL H 1.0 . 3.54 667 598 A 100 LYS HB3 A 3 VAL H 1.0 . 6.50 668 599 A 2 ASP HB3 A 3 VAL H 1.0 . 4.92 669 600 A 5 LYS H A 3 VAL H 1.0 . 4.85 670 601 A 96 ALA HB% A 3 VAL H 1.0 . 4.75 671 602 A 4 GLU HG2 A 3 VAL H 1.0 . 6.49 672 603 A 4 GLU HA A 3 VAL H 1.0 . 5.72 673 604 A 100 LYS HB2 A 3 VAL H 1.0 . 6.50 674 605 A 3 VAL H A 2 ASP HB2 1.0 . 5.34 675 606 A 3 VAL H A 4 GLU HB2 1.0 . 4.94 676 607 A 3 VAL HG1% A 3 VAL H 1.0 . 3.81 677 608 A 3 VAL H A 100 LYS HD2 1.0 . 6.50 678 608 A 100 LYS HD3 A 3 VAL H 1.0 . 6.50 679 609 A 54 ASN H A 55 LYS H 1.0 . 6.50 680 610 A 55 LYS H A 54 ASN HB2 1.0 . 6.50 681 610 A 54 ASN HB3 A 55 LYS H 1.0 . 6.50 682 611 A 80 MET HB2 A 81 ILE H 1.0 . 6.19 683 612 A 80 MET H A 81 ILE H 1.0 . 6.50 684 613 A 81 ILE HB A 81 ILE H 1.0 . 3.82 685 614 A 81 ILE HG2% A 81 ILE H 1.0 . 4.93 686 615 A 82 PHE HB3 A 81 ILE H 1.0 . 6.50 687 616 A 81 ILE HG13 A 81 ILE H 1.0 . 4.23 688 617 A 81 ILE H A 81 ILE HD1% 1.0 . 4.78 689 618 A 81 ILE H A 81 ILE HG12 1.0 . 4.36 690 619 A 19 THR H A 32 LEU HD2% 1.0 . 6.50 691 620 A 18 HIS HB3 A 19 THR H 1.0 . 5.25 692 621 A 32 LEU HD1% A 19 THR H 1.0 . 6.08 693 622 A 19 THR H A 31 ASN HA 1.0 . 4.66 694 623 A 19 THR H A 19 THR HG2% 1.0 . 4.33 695 624 A 19 THR H A 18 HIS HB2 1.0 . 4.90 696 625 A 40 THR H A 39 LYS HG2 1.0 . 6.50 697 625 A 39 LYS HG3 A 40 THR H 1.0 . 6.50 698 626 A 40 THR HG2% A 40 THR H 1.0 . 5.46 699 627 A 66 GLU H A 66 GLU HB2 1.0 . 3.80 700 628 A 67 TYR HB2 A 66 GLU H 1.0 . 5.81 701 629 A 63 THR HG2% A 66 GLU H 1.0 . 6.18 702 630 A 66 GLU H A 66 GLU HG2 1.0 . 5.49 703 631 A 66 GLU H A 65 MET HB3 1.0 . 4.17 704 632 A 65 MET H A 66 GLU H 1.0 . 4.14 705 633 A 63 THR H A 66 GLU H 1.0 . 6.50 706 634 A 62 ASP H A 66 GLU H 1.0 . 6.50 707 635 A 66 GLU H A 66 GLU HB3 1.0 . 4.04 708 636 A 66 GLU H A 64 LEU HD1% 1.0 . 6.50 709 636 A 64 LEU HD2% A 66 GLU H 1.0 . 6.50 710 637 A 66 GLU H A 67 TYR H 1.0 . 3.87 711 638 A 66 GLU H A 66 GLU HG3 1.0 . 5.05 712 639 A 63 THR HA A 66 GLU H 1.0 . 4.64 713 640 A 63 THR HB A 66 GLU H 1.0 . 5.53 714 641 A 67 TYR HB3 A 66 GLU H 1.0 . 5.12 715 642 A 66 GLU H A 65 MET HB2 1.0 . 4.29 716 643 A 12 MET HG3 A 13 LYS H 1.0 . 5.69 717 644 A 11 ILE HA A 13 LYS H 1.0 . 6.50 718 645 A 13 LYS H A 11 ILE HG2% 1.0 . 6.25 719 646 A 13 LYS H A 12 MET HB2 1.0 . 3.63 720 647 A 13 LYS H A 13 LYS HG3 1.0 . 5.28 721 648 A 10 PHE HA A 13 LYS H 1.0 . 5.27 722 649 A 13 LYS H A 12 MET H 1.0 . 3.80 723 650 A 13 LYS H A 13 LYS HD2 1.0 . 4.07 724 650 A 13 LYS HD3 A 13 LYS H 1.0 . 4.07 725 651 A 13 LYS H A 9 ILE HG2% 1.0 . 5.30 726 652 A 13 LYS HB2 A 13 LYS H 1.0 . 3.78 727 653 A 13 LYS H A 12 MET HG2 1.0 . 5.72 728 654 A 13 LYS H A 12 MET HB3 1.0 . 4.07 729 655 A 13 LYS H A 9 ILE HA 1.0 . 5.06 730 656 A 13 LYS H A 14 CYS HB3 1.0 . 5.50 731 657 A 13 LYS H A 13 LYS HG2 1.0 . 5.09 732 658 A 89 GLU H A 92 ALA H 1.0 . 6.50 733 659 A 94 LEU H A 92 ALA H 1.0 . 5.36 734 660 A 92 ALA H A 91 ARG HB3 1.0 . 4.33 735 661 A 88 LYS HA A 92 ALA H 1.0 . 5.38 736 662 A 92 ALA HB% A 92 ALA H 1.0 . 3.12 737 663 A 92 ALA H A 91 ARG HB2 1.0 . 3.95 738 664 A 92 ALA H A 91 ARG HG2 1.0 . 5.30 739 665 A 94 LEU HB3 A 92 ALA H 1.0 . 5.20 740 666 A 89 GLU HA A 92 ALA H 1.0 . 4.21 741 667 A 92 ALA H A 93 ASP HB2 1.0 . 5.82 742 667 A 93 ASP HB3 A 92 ALA H 1.0 . 5.82 743 668 A 92 ALA H A 91 ARG HG3 1.0 . 5.76 744 669 A 94 LEU HB2 A 92 ALA H 1.0 . 5.35 745 670 A 95 ILE H A 92 ALA H 1.0 . 6.14 746 671 A 97 TYR HE2 A 11 ILE H 1.0 . 6.50 747 672 A 10 PHE HB2 A 11 ILE H 1.0 . 4.16 748 673 A 11 ILE HG2% A 11 ILE H 1.0 . 4.16 749 674 A 12 MET HB2 A 11 ILE H 1.0 . 6.31 750 675 A 11 ILE HG12 A 11 ILE H 1.0 . 3.65 751 676 A 12 MET H A 11 ILE H 1.0 . 4.11 752 677 A 10 PHE HB3 A 11 ILE H 1.0 . 4.71 753 678 A 10 PHE H A 11 ILE H 1.0 . 4.27 754 679 A 8 LYS H A 11 ILE H 1.0 . 5.73 755 680 A 11 ILE HD1% A 11 ILE H 1.0 . 4.41 756 681 A 8 LYS HA A 11 ILE H 1.0 . 4.71 757 682 A 13 LYS H A 11 ILE H 1.0 . 5.64 758 683 A 11 ILE HG13 A 11 ILE H 1.0 . 4.11 759 684 A 12 MET HB3 A 11 ILE H 1.0 . 5.18 760 685 A 11 ILE HB A 11 ILE H 1.0 . 3.23 761 686 A 20 VAL HG2% A 22 LYS H 1.0 . 6.10 762 687 A 23 GLY HA3 A 22 LYS H 1.0 . 5.98 763 688 A 22 LYS HG2 A 22 LYS H 1.0 . 5.00 764 689 A 22 LYS H A 23 GLY H 1.0 . 6.27 765 690 A 22 LYS H A 21 GLU HG2 1.0 . 4.56 766 690 A 21 GLU HG3 A 22 LYS H 1.0 . 4.56 767 691 A 22 LYS H A 22 LYS HE2 1.0 . 5.32 768 691 A 22 LYS H A 22 LYS HE3 1.0 . 5.32 769 692 A 21 GLU HB3 A 22 LYS H 1.0 . 4.68 770 693 A 21 GLU HA A 22 LYS H 1.0 . 3.39 771 694 A 22 LYS H A 22 LYS HB3 1.0 . 3.66 772 695 A 22 LYS HB2 A 22 LYS H 1.0 . 3.58 773 696 A 22 LYS HG3 A 22 LYS H 1.0 . 4.97 774 697 A 22 LYS H A 22 LYS HD2 1.0 . 4.93 775 697 A 22 LYS H A 22 LYS HD3 1.0 . 4.93 776 698 A 21 GLU HB2 A 22 LYS H 1.0 . 4.53 777 699 A 89 GLU H A 91 ARG H 1.0 . 5.98 778 700 A 91 ARG H A 91 ARG HB3 1.0 . 3.91 779 701 A 88 LYS HA A 91 ARG H 1.0 . 4.84 780 702 A 91 ARG H A 90 GLU HG2 1.0 . 5.45 781 703 A 92 ALA HB% A 91 ARG H 1.0 . 4.34 782 704 A 91 ARG H A 93 ASP H 1.0 . 5.62 783 705 A 91 ARG H A 91 ARG HB2 1.0 . 3.81 784 706 A 91 ARG H A 91 ARG HG2 1.0 . 6.06 785 707 A 91 ARG H A 87 LYS H 1.0 . 6.50 786 708 A 91 ARG H A 91 ARG HD2 1.0 . 6.30 787 709 A 85 ILE HG2% A 91 ARG H 1.0 . 3.90 788 710 A 91 ARG H A 90 GLU HG3 1.0 . 4.95 789 711 A 90 GLU H A 91 ARG H 1.0 . 3.67 790 712 A 89 GLU HA A 91 ARG H 1.0 . 5.27 791 713 A 92 ALA H A 91 ARG H 1.0 . 3.98 792 714 A 91 ARG H A 93 ASP HB2 1.0 . 6.50 793 714 A 93 ASP HB3 A 91 ARG H 1.0 . 6.50 794 715 A 91 ARG H A 91 ARG HG3 1.0 . 4.48 795 716 A 91 ARG H A 90 GLU HB2 1.0 . 3.91 796 717 A 91 ARG H A 91 ARG HD3 1.0 . 5.79 797 718 A 103 ASN H A 104 GLU HG2 1.0 . 5.02 798 718 A 103 ASN H A 104 GLU HG3 1.0 . 5.02 799 719 A 103 ASN H A 103 ASN HB2 1.0 . 3.96 800 720 A 100 LYS H A 103 ASN H 1.0 . 5.71 801 721 A 103 ASN H A 103 ASN HD21 1.0 . 6.50 802 722 A 99 LYS HA A 103 ASN H 1.0 . 6.43 803 723 A 103 ASN H A 104 GLU HB2 1.0 . 5.88 804 724 A 103 ASN H A 104 GLU HA 1.0 . 4.97 805 725 A 103 ASN H A 101 ALA HA 1.0 . 4.60 806 726 A 103 ASN H A 102 THR HG2% 1.0 . 4.91 807 727 A 103 ASN H A 104 GLU H 1.0 . 3.47 808 728 A 103 ASN H A 104 GLU HB3 1.0 . 6.14 809 729 A 103 ASN H A 100 LYS HA 1.0 . 5.13 810 730 A 103 ASN H A 103 ASN HB3 1.0 . 3.72 811 731 A 103 ASN H A 101 ALA HB% 1.0 . 5.13 812 732 A 25 LYS H A 25 LYS HB2 1.0 . 3.99 813 733 A 25 LYS H A 25 LYS HE2 1.0 . 5.64 814 733 A 25 LYS H A 25 LYS HE3 1.0 . 5.64 815 734 A 19 THR HB A 25 LYS H 1.0 . 5.82 816 735 A 24 GLY H A 25 LYS H 1.0 . 5.17 817 736 A 31 ASN HD21 A 25 LYS H 1.0 . 6.50 818 737 A 25 LYS H A 25 LYS HB3 1.0 . 3.64 819 738 A 25 LYS H A 25 LYS HD2 1.0 . 4.58 820 738 A 25 LYS H A 25 LYS HD3 1.0 . 4.58 821 739 A 25 LYS H A 26 HIS H 1.0 . 6.50 822 740 A 25 LYS H A 19 THR HG2% 1.0 . 5.93 823 741 A 24 GLY HA3 A 25 LYS H 1.0 . 3.46 824 742 A 25 LYS H A 25 LYS HG2 1.0 . 3.82 825 742 A 25 LYS H A 25 LYS HG3 1.0 . 3.82 826 743 A 4 GLU HG3 A 4 GLU H 1.0 . 4.07 827 744 A 3 VAL HB A 4 GLU H 1.0 . 3.87 828 745 A 5 LYS HG2 A 4 GLU H 1.0 . 5.24 829 746 A 4 GLU HB3 A 4 GLU H 1.0 . 3.91 830 747 A 5 LYS HA A 4 GLU H 1.0 . 5.59 831 748 A 3 VAL HG2% A 4 GLU H 1.0 . 4.18 832 749 A 5 LYS HG3 A 4 GLU H 1.0 . 5.60 833 750 A 4 GLU HG2 A 4 GLU H 1.0 . 4.19 834 751 A 3 VAL H A 4 GLU H 1.0 . 3.94 835 752 A 2 ASP HB2 A 4 GLU H 1.0 . 6.39 836 753 A 4 GLU HB2 A 4 GLU H 1.0 . 3.52 837 754 A 3 VAL HG1% A 4 GLU H 1.0 . 4.35 838 755 A 4 GLU H A 5 LYS HB2 1.0 . 5.64 839 755 A 5 LYS HB3 A 4 GLU H 1.0 . 5.64 840 756 A 86 LYS H A 86 LYS HB2 1.0 . 3.91 841 756 A 86 LYS HB3 A 86 LYS H 1.0 . 3.91 842 757 A 87 LYS HG2 A 86 LYS H 1.0 . 5.93 843 758 A 85 ILE HG2% A 86 LYS H 1.0 . 4.81 844 759 A 86 LYS H A 85 ILE HG13 1.0 . 5.45 845 760 A 85 ILE HB A 86 LYS H 1.0 . 5.01 846 761 A 86 LYS H A 85 ILE H 1.0 . 5.06 847 762 A 96 ALA H A 97 TYR H 1.0 . 3.89 848 763 A 99 LYS H A 97 TYR H 1.0 . 4.64 849 764 A 97 TYR H A 3 VAL HG2% 1.0 . 4.83 850 765 A 97 TYR HB3 A 97 TYR H 1.0 . 3.58 851 766 A 97 TYR H A 97 TYR HD2 1.0 . 4.87 852 767 A 96 ALA HB% A 97 TYR H 1.0 . 3.55 853 768 A 98 LEU H A 97 TYR H 1.0 . 3.87 854 769 A 97 TYR H A 97 TYR HB2 1.0 . 3.53 855 770 A 97 TYR H A 6 GLY HA3 1.0 . 4.37 856 771 A 97 TYR H A 97 TYR HD1 1.0 . 4.99 857 772 A 97 TYR H A 98 LEU HA 1.0 . 5.76 858 773 A 97 TYR H A 3 VAL HG1% 1.0 . 5.00 859 774 A 74 TYR HB2 A 75 ILE H 1.0 . 4.60 860 775 A 75 ILE H A 75 ILE HG12 1.0 . 4.83 861 775 A 75 ILE H A 75 ILE HG13 1.0 . 4.83 862 776 A 73 LYS H A 75 ILE H 1.0 . 5.28 863 777 A 75 ILE HG2% A 75 ILE H 1.0 . 4.91 864 778 A 75 ILE H A 76 PRO HD3 1.0 . 5.33 865 779 A 72 LYS H A 75 ILE H 1.0 . 6.50 866 780 A 74 TYR HB3 A 75 ILE H 1.0 . 4.33 867 781 A 75 ILE H A 74 TYR HD% 1.0 . 5.26 868 782 A 75 ILE H A 75 ILE HD1% 1.0 . 5.08 869 783 A 72 LYS HA A 75 ILE H 1.0 . 5.65 870 784 A 75 ILE HB A 75 ILE H 1.0 . 4.17 871 785 A 75 ILE H A 76 PRO HD2 1.0 . 5.48 872 786 A 97 TYR HE2 A 7 LYS H 1.0 . 6.50 873 787 A 9 ILE HG12 A 7 LYS H 1.0 . 6.01 874 788 A 97 TYR HB3 A 7 LYS H 1.0 . 4.71 875 789 A 7 LYS H A 7 LYS HG2 1.0 . 4.39 876 789 A 7 LYS H A 7 LYS HG3 1.0 . 4.39 877 790 A 97 TYR HD2 A 7 LYS H 1.0 . 5.52 878 791 A 7 LYS HB3 A 7 LYS H 1.0 . 3.55 879 792 A 7 LYS H A 97 TYR HE1 1.0 . 6.50 880 793 A 97 TYR HB2 A 7 LYS H 1.0 . 4.21 881 794 A 8 LYS H A 7 LYS H 1.0 . 3.94 882 795 A 97 TYR HD1 A 7 LYS H 1.0 . 5.17 883 796 A 4 GLU HA A 7 LYS H 1.0 . 4.05 884 797 A 11 ILE HD1% A 7 LYS H 1.0 . 4.87 885 798 A 7 LYS H A 7 LYS HD2 1.0 . 4.34 886 798 A 7 LYS HD3 A 7 LYS H 1.0 . 4.34 887 799 A 7 LYS H A 7 LYS HB2 1.0 . 3.57 888 800 A 35 LEU HD2% A 59 TRP HE1 1.0 . 4.90 889 801 A 59 TRP HE1 A 40 THR HA 1.0 . 5.04 890 802 A 59 TRP HE1 A 41 GLY H 1.0 . 6.50 891 803 A 59 TRP HE1 A 38 ARG HG2 1.0 . 6.50 892 804 A 59 TRP HE1 A 40 THR HG2% 1.0 . 4.17 893 805 A 59 TRP HE1 A 38 ARG HB2 1.0 . 5.64 894 805 A 59 TRP HE1 A 38 ARG HB3 1.0 . 5.64 895 806 A 59 TRP HE1 A 38 ARG HG3 1.0 . 6.50 896 807 A 59 TRP HE1 A 40 THR H 1.0 . 6.50 897 808 A 59 TRP HE1 A 40 THR HB 1.0 . 5.66 898 809 A 5 LYS HG2 A 6 GLY H 1.0 . 4.91 899 810 A 6 GLY H A 7 LYS HA 1.0 . 5.49 900 811 A 97 TYR HB3 A 6 GLY H 1.0 . 5.25 901 812 A 2 ASP HB3 A 6 GLY H 1.0 . 6.13 902 813 A 6 GLY H A 97 TYR HB2 1.0 . 4.26 903 814 A 5 LYS HG3 A 6 GLY H 1.0 . 4.89 904 815 A 8 LYS H A 6 GLY H 1.0 . 5.87 905 816 A 3 VAL H A 6 GLY H 1.0 . 6.50 906 817 A 2 ASP HB2 A 6 GLY H 1.0 . 5.31 907 818 A 6 GLY H A 93 ASP HB2 1.0 . 4.03 908 818 A 93 ASP HB3 A 6 GLY H 1.0 . 4.03 909 819 A 6 GLY H A 4 GLU H 1.0 . 4.26 910 820 A 6 GLY H A 7 LYS HD2 1.0 . 4.76 911 820 A 6 GLY H A 7 LYS HD3 1.0 . 4.76 912 821 A 6 GLY H A 7 LYS H 1.0 . 4.17 913 822 A 6 GLY H A 5 LYS HE2 1.0 . 5.96 914 822 A 5 LYS HE3 A 6 GLY H 1.0 . 5.96 915 823 A 93 ASP HA A 6 GLY H 1.0 . 4.72 916 824 A 6 GLY H A 5 LYS HB2 1.0 . 3.66 917 824 A 6 GLY H A 5 LYS HB3 1.0 . 3.66 918 825 A 35 LEU HD2% A 36 PHE H 1.0 . 5.78 919 826 A 36 PHE HB2 A 36 PHE H 1.0 . 3.80 920 827 A 36 PHE HD% A 36 PHE H 1.0 . 3.69 921 828 A 35 LEU HD1% A 36 PHE H 1.0 . 5.27 922 829 A 36 PHE H A 35 LEU H 1.0 . 4.68 923 830 A 36 PHE H A 35 LEU HG 1.0 . 5.28 924 831 A 103 ASN HD22 A 36 PHE H 1.0 . 6.50 925 832 A 36 PHE H A 35 LEU HB2 1.0 . 4.70 926 833 A 36 PHE H A 34 GLY HA2 1.0 . 5.82 927 834 A 36 PHE H A 35 LEU HB3 1.0 . 4.35 928 835 A 36 PHE H A 32 LEU HG 1.0 . 6.50 929 836 A 36 PHE HE% A 36 PHE H 1.0 . 5.40 930 837 A 68 LEU HG A 69 GLU H 1.0 . 5.08 931 838 A 69 GLU H A 69 GLU HG3 1.0 . 5.83 932 839 A 68 LEU H A 69 GLU H 1.0 . 3.95 933 840 A 68 LEU HB2 A 69 GLU H 1.0 . 4.00 934 841 A 69 GLU H A 70 ASN HA 1.0 . 6.37 935 842 A 69 GLU H A 65 MET HB3 1.0 . 5.85 936 843 A 69 GLU H A 68 LEU HD1% 1.0 . 5.70 937 843 A 68 LEU HD2% A 69 GLU H 1.0 . 5.70 938 844 A 69 GLU H A 65 MET HG2 1.0 . 6.50 939 845 A 67 TYR HA A 69 GLU H 1.0 . 5.70 940 846 A 68 LEU HB3 A 69 GLU H 1.0 . 5.52 941 847 A 69 GLU H A 69 GLU HB3 1.0 . 4.01 942 848 A 69 GLU H A 69 GLU HB2 1.0 . 3.62 943 849 A 70 ASN H A 69 GLU H 1.0 . 3.75 944 850 A 69 GLU H A 69 GLU HG2 1.0 . 5.19 945 851 A 65 MET HA A 69 GLU H 1.0 . 5.15 946 852 A 69 GLU H A 85 ILE HG13 1.0 . 6.50 947 853 A 69 GLU H A 70 ASN HB2 1.0 . 5.51 948 853 A 69 GLU H A 70 ASN HB3 1.0 . 5.51 949 854 A 69 GLU H A 65 MET HG3 1.0 . 6.22 950 855 A 69 GLU H A 66 GLU HA 1.0 . 5.09 951 856 A 85 ILE HB A 69 GLU H 1.0 . 6.12 952 857 A 69 GLU H A 65 MET HB2 1.0 . 6.50 953 858 A 69 GLU H A 85 ILE H 1.0 . 6.15 954 859 A 96 ALA H A 2 ASP H 1.0 . 6.50 955 860 A 3 VAL HG2% A 2 ASP H 1.0 . 6.50 956 861 A 2 ASP H A 5 LYS H 1.0 . 6.50 957 862 A 96 ALA HB% A 2 ASP H 1.0 . 4.91 958 863 A 2 ASP H A 3 VAL H 1.0 . 6.21 959 864 A 2 ASP H A 2 ASP HB2 1.0 . 4.12 960 865 A 3 VAL HG1% A 2 ASP H 1.0 . 6.50 961 866 A 2 ASP H A 93 ASP HB2 1.0 . 5.15 962 866 A 93 ASP HB3 A 2 ASP H 1.0 . 5.15 963 867 A 2 ASP H A 4 GLU H 1.0 . 6.50 964 868 A 93 ASP HA A 2 ASP H 1.0 . 4.05 965 869 A 2 ASP H A 5 LYS HB2 1.0 . 5.67 966 869 A 2 ASP H A 5 LYS HB3 1.0 . 5.67 967 870 A 14 CYS HB2 A 15 SER H 1.0 . 4.74 968 871 A 15 SER H A 11 ILE HA 1.0 . 4.62 969 872 A 16 GLN H A 15 SER H 1.0 . 4.78 970 873 A 15 SER H A 11 ILE HG2% 1.0 . 5.61 971 874 A 14 CYS H A 15 SER H 1.0 . 3.43 972 875 A 15 SER H A 10 PHE HA 1.0 . 5.52 973 876 A 15 SER H A 12 MET HA 1.0 . 6.50 974 877 A 15 SER H A 13 LYS HB2 1.0 . 5.80 975 878 A 16 GLN HB2 A 15 SER H 1.0 . 5.94 976 879 A 15 SER H A 13 LYS H 1.0 . 4.73 977 880 A 15 SER H A 14 CYS HB3 1.0 . 4.53 978 881 A 15 SER H A 10 PHE HD1 1.0 . 6.50 979 882 A 15 SER H A 15 SER HB3 1.0 . 3.98 980 883 A 89 GLU H A 88 LYS H 1.0 . 5.52 981 884 A 87 LYS HB3 A 88 LYS H 1.0 . 4.93 982 885 A 88 LYS H A 87 LYS H 1.0 . 6.50 983 886 A 90 GLU H A 88 LYS H 1.0 . 6.50 984 887 A 88 LYS H A 88 LYS HD2 1.0 . 5.43 985 887 A 88 LYS HD3 A 88 LYS H 1.0 . 5.43 986 888 A 88 LYS H A 89 GLU HB2 1.0 . 6.50 987 888 A 89 GLU HB3 A 88 LYS H 1.0 . 6.50 988 889 A 88 LYS H A 88 LYS HG2 1.0 . 5.06 989 889 A 88 LYS HG3 A 88 LYS H 1.0 . 5.06 990 890 A 96 ALA H A 95 ILE H 1.0 . 3.88 991 891 A 95 ILE H A 95 ILE HG13 1.0 . 3.87 992 892 A 95 ILE H A 92 ALA HB% 1.0 . 5.08 993 893 A 95 ILE H A 93 ASP H 1.0 . 4.34 994 894 A 96 ALA HB% A 95 ILE H 1.0 . 4.62 995 895 A 95 ILE H A 92 ALA HA 1.0 . 4.39 996 896 A 95 ILE HB A 95 ILE H 1.0 . 3.33 997 897 A 95 ILE HG2% A 95 ILE H 1.0 . 4.07 998 898 A 96 ALA HA A 95 ILE H 1.0 . 5.38 999 899 A 95 ILE H A 95 ILE HG12 1.0 . 3.61 1000 900 A 94 LEU HB3 A 95 ILE H 1.0 . 4.00 1001 901 A 95 ILE H A 94 LEU HG 1.0 . 4.83 1002 902 A 95 ILE H A 93 ASP HB2 1.0 . 5.63 1003 902 A 93 ASP HB3 A 95 ILE H 1.0 . 5.63 1004 903 A 95 ILE H A 91 ARG HA 1.0 . 5.39 1005 904 A 94 LEU HB2 A 95 ILE H 1.0 . 3.93 1006 905 A 95 ILE H A 93 ASP HA 1.0 . 5.71 1007 906 A 95 ILE HD1% A 95 ILE H 1.0 . 3.87 1008 907 A 53 LYS HA A 54 ASN HD21 1.0 . 6.50 1009 908 A 54 ASN HA A 54 ASN HD21 1.0 . 6.50 1010 909 A 50 ALA HB% A 54 ASN HD21 1.0 . 4.75 1011 910 A 68 LEU HA A 70 ASN HD21 1.0 . 6.50 1012 911 A 70 ASN HD21 A 73 LYS HD2 1.0 . 4.75 1013 911 A 73 LYS HD3 A 70 ASN HD21 1.0 . 4.75 1014 912 A 70 ASN HA A 70 ASN HD21 1.0 . 6.47 1015 913 A 70 ASN HD21 A 69 GLU HB2 1.0 . 6.50 1016 914 A 70 ASN H A 70 ASN HD21 1.0 . 6.50 1017 915 A 70 ASN HD21 A 73 LYS HG2 1.0 . 5.07 1018 915 A 73 LYS HG3 A 70 ASN HD21 1.0 . 5.07 1019 916 A 70 ASN HD21 A 70 ASN HB2 1.0 . 3.36 1020 916 A 70 ASN HB3 A 70 ASN HD21 1.0 . 3.36 1021 917 A 70 ASN HD21 A 73 LYS HB2 1.0 . 3.97 1022 917 A 73 LYS HB3 A 70 ASN HD21 1.0 . 3.97 1023 918 A 10 PHE HB2 A 9 ILE H 1.0 . 5.79 1024 919 A 9 ILE HD1% A 9 ILE H 1.0 . 4.03 1025 920 A 7 LYS HA A 9 ILE H 1.0 . 5.40 1026 921 A 9 ILE HG12 A 9 ILE H 1.0 . 3.74 1027 922 A 11 ILE HA A 9 ILE H 1.0 . 6.50 1028 923 A 9 ILE H A 7 LYS HB3 1.0 . 5.22 1029 924 A 94 LEU HA A 9 ILE H 1.0 . 6.50 1030 925 A 9 ILE H A 6 GLY HA3 1.0 . 6.13 1031 926 A 9 ILE H A 8 LYS HB2 1.0 . 3.51 1032 926 A 8 LYS HB3 A 9 ILE H 1.0 . 3.51 1033 927 A 9 ILE HB A 9 ILE H 1.0 . 3.55 1034 928 A 9 ILE HG2% A 9 ILE H 1.0 . 4.80 1035 929 A 6 GLY HA2 A 9 ILE H 1.0 . 4.97 1036 930 A 9 ILE H A 11 ILE H 1.0 . 5.85 1037 931 A 9 ILE H A 9 ILE HG13 1.0 . 4.02 1038 932 A 9 ILE H A 7 LYS H 1.0 . 5.38 1039 933 A 94 LEU HB2 A 9 ILE H 1.0 . 5.72 1040 934 A 9 ILE H A 7 LYS HB2 1.0 . 5.18 1041 935 A 6 GLY H A 9 ILE H 1.0 . 5.59 1042 936 A 58 ILE HD1% A 38 ARG H 1.0 . 4.44 1043 937 A 59 TRP HB3 A 38 ARG H 1.0 . 5.30 1044 938 A 59 TRP H A 38 ARG H 1.0 . 5.70 1045 939 A 38 ARG H A 38 ARG HG2 1.0 . 3.92 1046 940 A 38 ARG H A 38 ARG HD2 1.0 . 5.78 1047 941 A 38 ARG H A 35 LEU HG 1.0 . 6.50 1048 942 A 59 TRP HD1 A 38 ARG H 1.0 . 6.02 1049 943 A 38 ARG H A 38 ARG HB2 1.0 . 3.70 1050 943 A 38 ARG H A 38 ARG HB3 1.0 . 3.70 1051 944 A 38 ARG H A 38 ARG HG3 1.0 . 4.94 1052 945 A 38 ARG H A 38 ARG HD3 1.0 . 6.43 1053 946 A 38 ARG H A 36 PHE H 1.0 . 6.33 1054 947 A 38 ARG H A 59 TRP HB2 1.0 . 4.86 1055 948 A 38 ARG H A 36 PHE HA 1.0 . 4.53 1056 949 A 42 GLN H A 42 GLN HG3 1.0 . 4.84 1057 950 A 42 GLN H A 50 ALA HA 1.0 . 6.29 1058 951 A 41 GLY H A 42 GLN H 1.0 . 5.27 1059 952 A 42 GLN H A 42 GLN HG2 1.0 . 5.16 1060 953 A 42 GLN H A 43 ALA HB% 1.0 . 6.44 1061 954 A 32 LEU HB3 A 32 LEU H 1.0 . 4.01 1062 955 A 32 LEU H A 32 LEU HD2% 1.0 . 4.93 1063 956 A 32 LEU H A 33 HIS HA 1.0 . 5.21 1064 957 A 31 ASN HB3 A 32 LEU H 1.0 . 5.45 1065 958 A 32 LEU H A 32 LEU HB2 1.0 . 4.19 1066 959 A 32 LEU H A 102 THR HG2% 1.0 . 5.77 1067 960 A 32 LEU H A 20 VAL HG1% 1.0 . 5.81 1068 961 A 32 LEU HD1% A 32 LEU H 1.0 . 4.93 1069 962 A 19 THR H A 32 LEU H 1.0 . 5.56 1070 963 A 32 LEU H A 32 LEU HG 1.0 . 4.34 1071 964 A 32 LEU H A 20 VAL HA 1.0 . 5.81 1072 965 A 31 ASN HB2 A 32 LEU H 1.0 . 5.41 1073 966 A 99 LYS H A 101 ALA H 1.0 . 5.61 1074 967 A 100 LYS H A 101 ALA H 1.0 . 3.62 1075 968 A 101 ALA H A 100 LYS HB3 1.0 . 3.70 1076 969 A 101 ALA H A 100 LYS HG3 1.0 . 5.05 1077 970 A 101 ALA H A 102 THR HA 1.0 . 5.05 1078 971 A 98 LEU H A 101 ALA H 1.0 . 5.85 1079 972 A 101 ALA H A 100 LYS HE2 1.0 . 6.50 1080 972 A 101 ALA H A 100 LYS HE3 1.0 . 6.50 1081 973 A 101 ALA H A 102 THR HG2% 1.0 . 3.99 1082 974 A 99 LYS HB2 A 101 ALA H 1.0 . 5.24 1083 975 A 101 ALA H A 100 LYS HB2 1.0 . 6.07 1084 976 A 98 LEU HA A 101 ALA H 1.0 . 4.55 1085 977 A 103 ASN H A 101 ALA H 1.0 . 5.19 1086 978 A 101 ALA H A 101 ALA HB% 1.0 . 3.18 1087 979 A 85 ILE H A 85 ILE HG12 1.0 . 4.07 1088 980 A 85 ILE H A 83 VAL HG1% 1.0 . 6.24 1089 980 A 83 VAL HG2% A 85 ILE H 1.0 . 6.24 1090 981 A 82 PHE HE% A 85 ILE H 1.0 . 4.54 1091 982 A 85 ILE H A 68 LEU HD1% 1.0 . 6.50 1092 982 A 68 LEU HD2% A 85 ILE H 1.0 . 6.50 1093 983 A 86 LYS HA A 85 ILE H 1.0 . 5.48 1094 984 A 85 ILE HG2% A 85 ILE H 1.0 . 4.03 1095 985 A 82 PHE HD% A 85 ILE H 1.0 . 6.01 1096 986 A 70 ASN H A 85 ILE H 1.0 . 6.50 1097 987 A 85 ILE H A 85 ILE HG13 1.0 . 4.47 1098 988 A 85 ILE H A 82 PHE HZ 1.0 . 6.01 1099 989 A 85 ILE HB A 85 ILE H 1.0 . 3.72 1100 990 A 85 ILE H A 91 ARG HD3 1.0 . 5.47 1101 991 A 85 ILE H A 85 ILE HD1% 1.0 . 4.49 1102 992 A 42 GLN HA A 42 GLN HE22 1.0 . 6.50 1103 993 A 42 GLN HB2 A 42 GLN HE22 1.0 . 4.61 1104 994 A 42 GLN HB3 A 42 GLN HE22 1.0 . 6.50 1105 995 A 78 THR H A 77 GLY H 1.0 . 4.62 1106 996 A 77 GLY H A 75 ILE HG12 1.0 . 5.66 1107 996 A 77 GLY H A 75 ILE HG13 1.0 . 5.66 1108 997 A 77 GLY H A 75 ILE HG2% 1.0 . 5.53 1109 998 A 77 GLY H A 51 ALA HB% 1.0 . 5.97 1110 999 A 75 ILE HB A 77 GLY H 1.0 . 5.95 1111 1000 A 2 ASP H A 5 LYS HE2 1.0 . 6.50 1112 1000 A 2 ASP H A 5 LYS HE3 1.0 . 6.50 1113 1001 A 80 MET HG2 A 81 ILE H 1.0 . 5.42 1114 1002 A 4 GLU H A 5 LYS HE2 1.0 . 6.50 1115 1002 A 5 LYS HE3 A 4 GLU H 1.0 . 6.50 1116 1003 A 7 LYS H A 8 LYS HE2 1.0 . 6.23 1117 1003 A 8 LYS HE3 A 7 LYS H 1.0 . 6.23 1118 1004 A 5 LYS H A 3 VAL HA 1.0 . 5.45 1119 1005 A 6 GLY HA2 A 5 LYS H 1.0 . 5.83 1120 1006 A 6 GLY H A 8 LYS HB2 1.0 . 5.73 1121 1006 A 8 LYS HB3 A 6 GLY H 1.0 . 5.73 1122 1007 A 6 GLY HA2 A 8 LYS H 1.0 . 6.50 1123 1008 A 8 LYS H A 9 ILE HG13 1.0 . 6.50 1124 1009 A 11 ILE HD1% A 9 ILE H 1.0 . 6.50 1125 1010 A 17 CYS HB2 A 15 SER H 1.0 . 6.13 1126 1011 A 94 LEU HA A 10 PHE H 1.0 . 5.81 1127 1012 A 11 ILE H A 8 LYS HD2 1.0 . 6.50 1128 1012 A 8 LYS HD3 A 11 ILE H 1.0 . 6.50 1129 1013 A 10 PHE HD1 A 11 ILE H 1.0 . 5.55 1130 1014 A 17 CYS H A 15 SER H 1.0 . 5.96 1131 1015 A 14 CYS H A 11 ILE H 1.0 . 6.50 1132 1016 A 17 CYS H A 18 HIS HD2 1.0 . 6.17 1133 1017 A 18 HIS H A 27 LYS HD2 1.0 . 5.97 1134 1018 A 17 CYS H A 14 CYS HA 1.0 . 5.94 1135 1019 A 31 ASN HD21 A 20 VAL H 1.0 . 6.50 1136 1020 A 31 ASN HD22 A 20 VAL H 1.0 . 6.37 1137 1021 A 18 HIS HA A 32 LEU H 1.0 . 6.18 1138 1022 A 29 GLY H A 27 LYS HE2 1.0 . 6.50 1139 1022 A 27 LYS HE3 A 29 GLY H 1.0 . 6.50 1140 1023 A 27 LYS H A 30 PRO HA 1.0 . 6.16 1141 1024 A 102 THR HG2% A 36 PHE H 1.0 . 6.23 1142 1025 A 42 GLN HE21 A 39 LYS HE2 1.0 . 6.50 1143 1025 A 42 GLN HE21 A 39 LYS HE3 1.0 . 6.50 1144 1026 A 42 GLN HG3 A 46 TYR H 1.0 . 6.50 1145 1027 A 59 TRP H A 38 ARG HB2 1.0 . 6.30 1146 1027 A 59 TRP H A 38 ARG HB3 1.0 . 6.30 1147 1028 A 36 PHE HE% A 60 GLY H 1.0 . 6.50 1148 1029 A 65 MET H A 59 TRP HE3 1.0 . 6.50 1149 1030 A 64 LEU H A 61 GLU H 1.0 . 6.50 1150 1031 A 65 MET H A 63 THR H 1.0 . 6.30 1151 1032 A 70 ASN HD22 A 73 LYS HG2 1.0 . 5.45 1152 1032 A 70 ASN HD22 A 73 LYS HG3 1.0 . 5.45 1153 1033 A 70 ASN HD22 A 73 LYS HB2 1.0 . 3.82 1154 1033 A 70 ASN HD22 A 73 LYS HB3 1.0 . 3.82 1155 1034 A 95 ILE HD1% A 66 GLU H 1.0 . 6.03 1156 1035 A 64 LEU HB3 A 66 GLU H 1.0 . 6.50 1157 1036 A 65 MET H A 66 GLU HB3 1.0 . 6.09 1158 1037 A 68 LEU H A 66 GLU HB3 1.0 . 6.24 1159 1038 A 68 LEU H A 66 GLU HG3 1.0 . 5.22 1160 1039 A 66 GLU H A 65 MET HG2 1.0 . 5.76 1161 1040 A 67 TYR HB2 A 69 GLU H 1.0 . 6.50 1162 1041 A 73 LYS H A 70 ASN HD21 1.0 . 5.80 1163 1042 A 99 LYS HA A 103 ASN HD22 1.0 . 5.37 1164 1043 A 101 ALA H A 103 ASN HB2 1.0 . 6.50 1165 1044 A 99 LYS HA A 101 ALA H 1.0 . 6.50 1166 1045 A 104 GLU H A 100 LYS HA 1.0 . 6.17 1167 1046 A 100 LYS HA A 103 ASN HD21 1.0 . 6.50 1168 1047 A 36 PHE HD% A 103 ASN HD21 1.0 . 6.50 1169 1048 A 101 ALA H A 104 GLU HG2 1.0 . 5.81 1170 1048 A 101 ALA H A 104 GLU HG3 1.0 . 5.81 1171 1049 A 99 LYS HG3 A 103 ASN HD21 1.0 . 6.50 1172 1050 A 99 LYS HG3 A 103 ASN HD22 1.0 . 5.99 1173 1051 A 85 ILE HG2% A 87 LYS H 1.0 . 3.65 1174 1052 A 101 ALA H A 3 VAL HG2% 1.0 . 5.00 1175 1053 A 101 ALA H A 99 LYS HB3 1.0 . 6.08 1176 1054 A 20 VAL HB A 102 THR H 1.0 . 5.76 1177 1055 A 98 LEU HB3 A 102 THR H 1.0 . 5.78 1178 1056 A 99 LYS H A 95 ILE HG2% 1.0 . 5.18 1179 1057 A 99 LYS H A 100 LYS HB3 1.0 . 5.45 1180 1058 A 99 LYS HG2 A 103 ASN HD21 1.0 . 6.27 1181 1059 A 99 LYS HG2 A 103 ASN HD22 1.0 . 6.17 1182 1060 A 99 LYS H A 97 TYR HB3 1.0 . 6.50 1183 1061 A 97 TYR HB3 A 100 LYS H 1.0 . 6.50 1184 1062 A 97 TYR HB3 A 101 ALA H 1.0 . 6.50 1185 1063 A 99 LYS H A 98 LEU HG 1.0 . 5.33 1186 1064 A 101 ALA H A 20 VAL HG2% 1.0 . 6.15 1187 1065 A 20 VAL HG2% A 102 THR H 1.0 . 6.26 1188 1066 A 36 PHE HD% A 103 ASN HD22 1.0 . 6.50 1189 1067 A 98 LEU H A 96 ALA HA 1.0 . 5.27 1190 1068 A 92 ALA H A 93 ASP HA 1.0 . 5.47 1191 1069 A 75 ILE H A 73 LYS HB2 1.0 . 5.78 1192 1069 A 75 ILE H A 73 LYS HB3 1.0 . 5.78 1193 1070 A 78 THR H A 51 ALA HB% 1.0 . 4.96 1194 1071 A 78 THR H A 75 ILE HG2% 1.0 . 4.48 1195 1072 A 32 LEU HB3 A 31 ASN HD22 1.0 . 5.83 1196 1073 A 27 LYS HB3 A 26 HIS H 1.0 . 6.50 1197 1074 A 96 ALA HB% A 4 GLU H 1.0 . 5.89 1198 1075 A 4 GLU HB3 A 6 GLY H 1.0 . 5.27 1199 1076 A 4 GLU HB3 A 7 LYS H 1.0 . 5.55 1200 1077 A 96 ALA H A 95 ILE HG13 1.0 . 4.93 1201 1078 A 74 TYR H A 70 ASN HD21 1.0 . 6.07 1202 1079 A 73 LYS HA A 70 ASN HD21 1.0 . 6.50 1203 1080 A 73 LYS HA A 70 ASN HD22 1.0 . 6.50 1204 1081 A 99 LYS H A 97 TYR HD1 1.0 . 6.06 1205 1082 A 100 LYS H A 97 TYR HA 1.0 . 4.79 1206 1083 A 98 LEU HB3 A 101 ALA H 1.0 . 6.13 1207 1084 A 10 PHE HB3 A 9 ILE H 1.0 . 6.02 1208 1085 A 97 TYR HD2 A 10 PHE H 1.0 . 5.94 1209 1086 A 5 LYS HA A 9 ILE H 1.0 . 5.92 1210 1087 A 9 ILE H A 8 LYS HD2 1.0 . 5.60 1211 1087 A 9 ILE H A 8 LYS HD3 1.0 . 5.60 1212 1088 A 17 CYS H A 18 HIS HB3 1.0 . 6.50 1213 1089 A 19 THR H A 30 PRO HB2 1.0 . 6.50 1214 1089 A 19 THR H A 30 PRO HB3 1.0 . 6.50 1215 1090 A 20 VAL H A 10 PHE HZ 1.0 . 6.50 1216 1091 A 24 GLY H A 33 HIS HB2 1.0 . 6.33 1217 1092 A 24 GLY H A 22 LYS H 1.0 . 6.20 1218 1093 A 25 LYS H A 31 ASN HB2 1.0 . 5.82 1219 1094 A 31 ASN HD22 A 25 LYS H 1.0 . 5.98 1220 1095 A 21 GLU HB3 A 31 ASN HD21 1.0 . 6.50 1221 1096 A 31 ASN HD22 A 20 VAL HB 1.0 . 5.86 1222 1097 A 32 LEU H A 30 PRO HG2 1.0 . 6.50 1223 1097 A 32 LEU H A 30 PRO HG3 1.0 . 6.50 1224 1098 A 24 GLY HA2 A 33 HIS H 1.0 . 5.90 1225 1099 A 36 PHE HD% A 34 GLY H 1.0 . 5.41 1226 1100 A 39 LYS HB3 A 42 GLN HE21 1.0 . 5.78 1227 1101 A 46 TYR HD% A 46 TYR H 1.0 . 6.03 1228 1102 A 46 TYR H A 45 GLY H 1.0 . 6.50 1229 1103 A 46 TYR H A 44 PRO HB2 1.0 . 5.65 1230 1104 A 50 ALA HA A 53 LYS H 1.0 . 5.28 1231 1105 A 52 ASN H A 53 LYS H 1.0 . 6.50 1232 1106 A 58 ILE H A 57 ILE HD1% 1.0 . 5.84 1233 1107 A 58 ILE H A 57 ILE HG2% 1.0 . 4.48 1234 1108 A 36 PHE HE% A 61 GLU H 1.0 . 5.10 1235 1109 A 95 ILE HG2% A 62 ASP H 1.0 . 6.44 1236 1110 A 63 THR H A 95 ILE HG12 1.0 . 6.27 1237 1111 A 64 LEU H A 65 MET HB2 1.0 . 5.94 1238 1112 A 67 TYR HB3 A 64 LEU H 1.0 . 6.50 1239 1113 A 65 MET H A 66 GLU HB2 1.0 . 6.04 1240 1114 A 67 TYR H A 66 GLU HB2 1.0 . 5.13 1241 1115 A 67 TYR H A 66 GLU HB3 1.0 . 5.09 1242 1116 A 63 THR HA A 67 TYR H 1.0 . 6.01 1243 1117 A 69 GLU H A 71 PRO HD3 1.0 . 5.00 1244 1118 A 73 LYS H A 71 PRO HA 1.0 . 6.02 1245 1119 A 73 LYS H A 71 PRO HG2 1.0 . 6.50 1246 1120 A 75 ILE H A 76 PRO HB3 1.0 . 4.93 1247 1121 A 75 ILE H A 71 PRO HA 1.0 . 5.57 1248 1122 A 77 GLY H A 72 LYS HB3 1.0 . 6.50 1249 1123 A 77 GLY H A 72 LYS HB2 1.0 . 6.50 1250 1124 A 103 ASN H A 102 THR H 1.0 . 3.80 1251 1125 A 100 LYS HA A 103 ASN HD22 1.0 . 5.74 1252 1126 A 36 PHE HD% A 102 THR H 1.0 . 6.32 1253 1127 A 101 ALA H A 97 TYR HB2 1.0 . 6.50 1254 1128 A 100 LYS H A 97 TYR HB2 1.0 . 6.50 1255 1129 A 100 LYS H A 103 ASN HB2 1.0 . 6.49 1256 1130 A 95 ILE HB A 93 ASP H 1.0 . 5.50 1257 1131 A 92 ALA H A 90 GLU HB2 1.0 . 4.81 1258 1132 A 15 SER HA A 17 CYS H 1.0 . 5.41 1259 1133 A 10 PHE H A 10 PHE HD2 1.0 . 5.64 1260 1134 A 11 ILE H A 10 PHE HD2 1.0 . 6.03 1261 1135 A 14 CYS H A 10 PHE HD2 1.0 . 6.50 1262 1136 A 15 SER H A 10 PHE HD2 1.0 . 6.50 1263 1137 A 36 PHE HE% A 35 LEU H 1.0 . 6.09 1264 1138 A 27 LYS H A 26 HIS HD1 1.0 . 6.50 1265 1139 A 75 ILE H A 74 TYR HE% 1.0 . 6.50 1266 1140 A 2 ASP H A 6 GLY H 1.0 . 6.50 1267 1141 A 91 ARG H A 89 GLU HB2 1.0 . 5.85 1268 1141 A 89 GLU HB3 A 91 ARG H 1.0 . 5.85 1269 1142 A 90 GLU H A 91 ARG HG3 1.0 . 6.37 1270 1143 A 90 GLU H A 89 GLU HG3 1.0 . 5.17 1271 1144 A 89 GLU H A 88 LYS HB2 1.0 . 4.00 1272 1145 A 85 ILE HB A 87 LYS H 1.0 . 6.18 1273 1146 A 73 LYS H A 70 ASN HA 1.0 . 5.21 1274 1147 A 81 ILE H A 80 MET HG3 1.0 . 4.99 1275 1148 A 81 ILE H A 80 MET HE% 1.0 . 6.50 1276 1149 A 81 ILE H A 80 MET HB3 1.0 . 5.71 1277 1150 A 82 PHE H A 80 MET HG3 1.0 . 5.91 1278 1151 A 82 PHE H A 80 MET HE% 1.0 . 5.45 1279 1152 A 22 LYS H A 33 HIS HE1 1.0 . 6.37 1280 1153 A 19 THR H A 31 ASN HD22 1.0 . 6.50 1281 1154 A 78 THR HG2% A 80 MET H 1.0 . 6.50 1282 1155 A 78 THR HG2% A 79 LYS HA 1.0 . 6.50 1283 1156 A 78 THR HG2% A 49 THR HG2% 1.0 . 6.50 1284 1157 A 78 THR HG2% A 80 MET HB3 1.0 . 6.50 1285 1158 A 58 ILE HB A 57 ILE HA 1.0 . 6.50 1286 1159 A 35 LEU HD2% A 35 LEU HA 1.0 . 5.37 1287 1160 A 32 LEU HD1% A 35 LEU HD2% 1.0 . 6.50 1288 1161 A 4 GLU HG3 A 3 VAL HA 1.0 . 6.50 1289 1162 A 97 TYR HA A 3 VAL HB 1.0 . 6.48 1290 1163 A 97 TYR H A 3 VAL HB 1.0 . 6.50 1291 1164 A 3 VAL HB A 2 ASP HA 1.0 . 6.50 1292 1165 A 71 PRO HB3 A 70 ASN HA 1.0 . 6.50 1293 1166 A 80 MET HG2 A 71 PRO HB3 1.0 . 6.50 1294 1167 A 71 PRO HB3 A 80 MET HG3 1.0 . 6.50 1295 1168 A 71 PRO HB3 A 72 LYS HB3 1.0 . 6.50 1296 1169 A 71 PRO HB3 A 70 ASN HD21 1.0 . 6.50 1297 1170 A 20 VAL HG2% A 102 THR HG2% 1.0 . 5.77 1298 1171 A 19 THR H A 20 VAL HG2% 1.0 . 6.50 1299 1172 A 20 VAL HG2% A 10 PHE HE2 1.0 . 6.50 1300 1173 A 68 LEU HG A 67 TYR HB2 1.0 . 6.50 1301 1174 A 68 LEU HG A 67 TYR HB3 1.0 . 6.50 1302 1175 A 41 GLY HA3 A 42 GLN HG3 1.0 . 6.50 1303 1176 A 17 CYS HA A 16 GLN HB3 1.0 . 6.50 1304 1177 A 17 CYS HA A 18 HIS HB2 1.0 . 6.17 1305 1178 A 97 TYR HB3 A 98 LEU HB2 1.0 . 6.17 1306 1179 A 14 CYS HB2 A 10 PHE HB2 1.0 . 6.50 1307 1180 A 14 CYS H A 10 PHE HB2 1.0 . 6.50 1308 1181 A 10 PHE HB2 A 12 MET H 1.0 . 6.50 1309 1182 A 9 ILE HB A 10 PHE HB2 1.0 . 6.50 1310 1183 A 10 PHE HB2 A 14 CYS HB3 1.0 . 6.50 1311 1184 A 5 LYS HG2 A 4 GLU HA 1.0 . 6.50 1312 1185 A 2 ASP H A 5 LYS HG2 1.0 . 6.50 1313 1186 A 24 GLY HA3 A 25 LYS HB2 1.0 . 6.50 1314 1187 A 95 ILE HA A 94 LEU HA 1.0 . 6.50 1315 1188 A 95 ILE HA A 94 LEU HB3 1.0 . 6.50 1316 1189 A 95 ILE HA A 94 LEU HB2 1.0 . 6.05 1317 1190 A 95 ILE HA A 95 ILE HD1% 1.0 . 5.80 1318 1191 A 68 LEU HA A 67 TYR HB2 1.0 . 6.50 1319 1192 A 68 LEU HA A 70 ASN HA 1.0 . 6.50 1320 1193 A 68 LEU HA A 82 PHE HE% 1.0 . 6.50 1321 1194 A 68 LEU HA A 68 LEU HD1% 1.0 . 4.87 1322 1194 A 68 LEU HA A 68 LEU HD2% 1.0 . 4.87 1323 1195 A 68 LEU HA A 67 TYR HA 1.0 . 6.50 1324 1196 A 68 LEU HA A 67 TYR HB3 1.0 . 6.50 1325 1197 A 89 GLU HG2 A 9 ILE HD1% 1.0 . 6.37 1326 1198 A 9 ILE HD1% A 8 LYS HB2 1.0 . 5.32 1327 1198 A 9 ILE HD1% A 8 LYS HB3 1.0 . 5.32 1328 1199 A 9 ILE HD1% A 8 LYS HA 1.0 . 6.50 1329 1200 A 9 ILE HD1% A 89 GLU HG3 1.0 . 5.97 1330 1201 A 54 ASN H A 50 ALA HA 1.0 . 6.50 1331 1202 A 52 ASN H A 50 ALA HA 1.0 . 6.50 1332 1203 A 50 ALA HA A 42 GLN HE21 1.0 . 6.50 1333 1204 A 50 ALA HA A 49 THR HA 1.0 . 6.50 1334 1205 A 75 ILE HD1% A 75 ILE HA 1.0 . 6.38 1335 1206 A 42 GLN HB2 A 43 ALA HA 1.0 . 6.50 1336 1207 A 42 GLN HB3 A 43 ALA HA 1.0 . 6.50 1337 1208 A 46 TYR H A 43 ALA HA 1.0 . 6.50 1338 1209 A 95 ILE HG2% A 61 GLU HB2 1.0 . 5.72 1339 1209 A 95 ILE HG2% A 61 GLU HB3 1.0 . 5.72 1340 1210 A 60 GLY HA2 A 61 GLU HB2 1.0 . 6.01 1341 1210 A 61 GLU HB3 A 60 GLY HA2 1.0 . 6.01 1342 1211 A 36 PHE HE% A 61 GLU HB2 1.0 . 6.50 1343 1211 A 36 PHE HE% A 61 GLU HB3 1.0 . 6.50 1344 1212 A 32 LEU HB3 A 31 ASN HA 1.0 . 6.50 1345 1213 A 71 PRO HA A 72 LYS HE2 1.0 . 6.50 1346 1213 A 72 LYS HE3 A 71 PRO HA 1.0 . 6.50 1347 1214 A 40 THR HA A 39 LYS HA 1.0 . 6.50 1348 1215 A 59 TRP HD1 A 40 THR HA 1.0 . 6.50 1349 1216 A 36 PHE HB2 A 35 LEU HG 1.0 . 6.50 1350 1217 A 36 PHE HB2 A 103 ASN HD22 1.0 . 6.50 1351 1218 A 36 PHE HB2 A 35 LEU HB2 1.0 . 6.50 1352 1219 A 24 GLY HA3 A 25 LYS HE2 1.0 . 6.49 1353 1219 A 24 GLY HA3 A 25 LYS HE3 1.0 . 6.49 1354 1220 A 74 TYR HB2 A 75 ILE HA 1.0 . 6.50 1355 1221 A 74 TYR HB2 A 73 LYS HB2 1.0 . 6.50 1356 1221 A 74 TYR HB2 A 73 LYS HB3 1.0 . 6.50 1357 1222 A 62 ASP HA A 61 GLU HG2 1.0 . 6.50 1358 1223 A 62 ASP HA A 61 GLU HA 1.0 . 6.50 1359 1224 A 68 LEU HB2 A 69 GLU HG3 1.0 . 6.50 1360 1225 A 70 ASN HA A 69 GLU HG3 1.0 . 6.50 1361 1226 A 81 ILE HA A 82 PHE HB3 1.0 . 6.50 1362 1227 A 81 ILE HA A 80 MET HA 1.0 . 6.50 1363 1228 A 67 TYR HB2 A 59 TRP HE3 1.0 . 6.50 1364 1229 A 67 TYR HB2 A 64 LEU HD1% 1.0 . 6.50 1365 1229 A 67 TYR HB2 A 64 LEU HD2% 1.0 . 6.50 1366 1230 A 67 TYR HB2 A 74 TYR HD% 1.0 . 6.50 1367 1231 A 88 LYS HA A 87 LYS HA 1.0 . 6.50 1368 1232 A 88 LYS HA A 88 LYS HE2 1.0 . 6.50 1369 1232 A 88 LYS HA A 88 LYS HE3 1.0 . 6.50 1370 1233 A 88 LYS HA A 88 LYS HD2 1.0 . 6.50 1371 1233 A 88 LYS HA A 88 LYS HD3 1.0 . 6.50 1372 1234 A 87 LYS HA A 87 LYS HD2 1.0 . 6.50 1373 1234 A 87 LYS HA A 87 LYS HD3 1.0 . 6.50 1374 1235 A 86 LYS HA A 87 LYS HD2 1.0 . 5.89 1375 1235 A 87 LYS HD3 A 86 LYS HA 1.0 . 5.89 1376 1236 A 1 GLY HA3 A 2 ASP HB3 1.0 . 6.50 1377 1237 A 96 ALA HB% A 1 GLY HA3 1.0 . 5.72 1378 1238 A 1 GLY HA3 A 2 ASP HB2 1.0 . 6.50 1379 1239 A 1 GLY HA3 A 2 ASP HA 1.0 . 6.40 1380 1240 A 98 LEU HB2 A 99 LYS HD2 1.0 . 6.50 1381 1241 A 54 ASN HA A 55 LYS HB2 1.0 . 6.50 1382 1242 A 69 GLU HA A 91 ARG HD3 1.0 . 6.50 1383 1243 A 69 GLU HA A 85 ILE H 1.0 . 6.50 1384 1244 A 87 LYS HA A 86 LYS HB2 1.0 . 5.73 1385 1244 A 87 LYS HA A 86 LYS HB3 1.0 . 5.73 1386 1245 A 87 LYS HA A 86 LYS HA 1.0 . 6.50 1387 1246 A 64 LEU HA A 59 TRP HE3 1.0 . 6.50 1388 1247 A 64 LEU HA A 64 LEU HD1% 1.0 . 4.88 1389 1247 A 64 LEU HA A 64 LEU HD2% 1.0 . 4.88 1390 1248 A 64 LEU HA A 60 GLY H 1.0 . 6.50 1391 1249 A 64 LEU HA A 67 TYR HB3 1.0 . 5.38 1392 1250 A 85 ILE HG12 A 84 GLY HA2 1.0 . 6.50 1393 1251 A 85 ILE HG12 A 84 GLY HA3 1.0 . 6.50 1394 1252 A 90 GLU HG2 A 87 LYS HD2 1.0 . 6.50 1395 1252 A 87 LYS HD3 A 90 GLU HG2 1.0 . 6.50 1396 1253 A 50 ALA H A 49 THR HB 1.0 . 6.50 1397 1254 A 74 TYR HB2 A 75 ILE HG12 1.0 . 6.50 1398 1254 A 74 TYR HB2 A 75 ILE HG13 1.0 . 6.50 1399 1255 A 74 TYR HB3 A 75 ILE HG12 1.0 . 6.50 1400 1255 A 74 TYR HB3 A 75 ILE HG13 1.0 . 6.50 1401 1256 A 74 TYR HD% A 75 ILE HG12 1.0 . 6.50 1402 1256 A 75 ILE HG13 A 74 TYR HD% 1.0 . 6.50 1403 1257 A 74 TYR HA A 75 ILE HG12 1.0 . 6.50 1404 1257 A 74 TYR HA A 75 ILE HG13 1.0 . 6.50 1405 1258 A 34 GLY HA3 A 35 LEU HB3 1.0 . 6.50 1406 1259 A 18 HIS HB2 A 19 THR HB 1.0 . 6.46 1407 1260 A 58 ILE HD1% A 59 TRP HB3 1.0 . 6.07 1408 1261 A 59 TRP HB3 A 35 LEU HG 1.0 . 6.36 1409 1262 A 59 TRP HB3 A 58 ILE HA 1.0 . 6.50 1410 1263 A 82 PHE H A 71 PRO HG3 1.0 . 6.50 1411 1264 A 71 PRO HG3 A 82 PHE HE% 1.0 . 6.50 1412 1265 A 71 PRO HG3 A 80 MET HG2 1.0 . 6.50 1413 1266 A 71 PRO HG3 A 82 PHE HA 1.0 . 6.50 1414 1267 A 71 PRO HG3 A 80 MET HG3 1.0 . 6.16 1415 1268 A 72 LYS HA A 73 LYS HD2 1.0 . 6.50 1416 1268 A 73 LYS HD3 A 72 LYS HA 1.0 . 6.50 1417 1269 A 20 VAL HB A 102 THR HG2% 1.0 . 5.36 1418 1270 A 63 THR HG2% A 59 TRP HZ3 1.0 . 6.50 1419 1271 A 14 CYS HB2 A 9 ILE HA 1.0 . 6.50 1420 1272 A 14 CYS HB2 A 10 PHE HD2 1.0 . 6.50 1421 1273 A 14 CYS H A 12 MET HG3 1.0 . 6.50 1422 1274 A 58 ILE HG13 A 37 GLY HA2 1.0 . 6.50 1423 1275 A 36 PHE HB3 A 37 GLY HA2 1.0 . 6.50 1424 1276 A 31 ASN HA A 32 LEU HA 1.0 . 6.50 1425 1277 A 35 LEU HA A 32 LEU HD2% 1.0 . 6.50 1426 1278 A 32 LEU HD2% A 64 LEU HD1% 1.0 . 6.50 1427 1278 A 64 LEU HD2% A 32 LEU HD2% 1.0 . 6.50 1428 1279 A 97 TYR HE2 A 7 LYS HA 1.0 . 6.50 1429 1280 A 10 PHE HB2 A 7 LYS HA 1.0 . 6.16 1430 1281 A 7 LYS HA A 6 GLY HA3 1.0 . 6.50 1431 1282 A 11 ILE HD1% A 7 LYS HA 1.0 . 5.61 1432 1283 A 6 GLY HA2 A 7 LYS HA 1.0 . 6.50 1433 1284 A 7 LYS HA A 7 LYS HD2 1.0 . 5.99 1434 1284 A 7 LYS HA A 7 LYS HD3 1.0 . 5.99 1435 1285 A 26 HIS HA A 27 LYS HG2 1.0 . 6.50 1436 1285 A 27 LYS HG3 A 26 HIS HA 1.0 . 6.50 1437 1286 A 3 VAL HG2% A 97 TYR HA 1.0 . 5.43 1438 1287 A 96 ALA HB% A 97 TYR HA 1.0 . 6.05 1439 1288 A 97 TYR HA A 97 TYR HE1 1.0 . 6.50 1440 1289 A 5 LYS HA A 5 LYS HE2 1.0 . 6.50 1441 1289 A 5 LYS HA A 5 LYS HE3 1.0 . 6.50 1442 1290 A 97 TYR HB3 A 98 LEU HD1% 1.0 . 6.50 1443 1291 A 98 LEU HD1% A 98 LEU HA 1.0 . 5.32 1444 1292 A 58 ILE HG13 A 57 ILE HA 1.0 . 6.50 1445 1293 A 58 ILE HG13 A 39 LYS HA 1.0 . 6.50 1446 1294 A 11 ILE HA A 10 PHE HA 1.0 . 6.50 1447 1295 A 11 ILE HA A 11 ILE HD1% 1.0 . 5.86 1448 1296 A 11 ILE HA A 8 LYS HA 1.0 . 6.50 1449 1297 A 11 ILE HA A 10 PHE HD2 1.0 . 6.50 1450 1298 A 15 SER HB3 A 11 ILE HA 1.0 . 5.29 1451 1299 A 96 ALA H A 3 VAL HG2% 1.0 . 6.50 1452 1300 A 100 LYS HB3 A 3 VAL HG2% 1.0 . 4.79 1453 1301 A 96 ALA HB% A 3 VAL HG2% 1.0 . 4.74 1454 1302 A 59 TRP HZ3 A 66 GLU HG2 1.0 . 6.50 1455 1303 A 66 GLU HG2 A 67 TYR H 1.0 . 6.50 1456 1304 A 67 TYR HD% A 66 GLU HG2 1.0 . 6.50 1457 1305 A 65 MET HA A 66 GLU HG2 1.0 . 6.50 1458 1306 A 66 GLU HG2 A 65 MET HB2 1.0 . 6.50 1459 1307 A 97 TYR HB3 A 96 ALA HB% 1.0 . 6.50 1460 1308 A 97 TYR HB3 A 6 GLY HA3 1.0 . 5.84 1461 1309 A 97 TYR HB3 A 6 GLY HA2 1.0 . 5.32 1462 1310 A 36 PHE HB3 A 35 LEU HB3 1.0 . 6.50 1463 1311 A 72 LYS HB2 A 72 LYS HE2 1.0 . 6.50 1464 1311 A 72 LYS HE3 A 72 LYS HB2 1.0 . 6.50 1465 1312 A 71 PRO HB2 A 72 LYS HB2 1.0 . 6.44 1466 1313 A 92 ALA HB% A 91 ARG HB3 1.0 . 5.98 1467 1314 A 92 ALA HB% A 91 ARG HB2 1.0 . 5.65 1468 1315 A 92 ALA HB% A 90 GLU H 1.0 . 6.50 1469 1316 A 92 ALA HB% A 91 ARG HA 1.0 . 6.50 1470 1317 A 92 ALA HB% A 93 ASP HA 1.0 . 6.37 1471 1318 A 22 LYS HA A 31 ASN HD21 1.0 . 6.50 1472 1319 A 22 LYS HA A 33 HIS HE1 1.0 . 6.50 1473 1320 A 22 LYS HA A 23 GLY HA3 1.0 . 6.50 1474 1321 A 22 LYS HA A 22 LYS HE2 1.0 . 5.72 1475 1321 A 22 LYS HA A 22 LYS HE3 1.0 . 5.72 1476 1322 A 22 LYS HA A 21 GLU HA 1.0 . 6.50 1477 1323 A 67 TYR HB2 A 68 LEU HB2 1.0 . 6.50 1478 1324 A 68 LEU HB2 A 65 MET HA 1.0 . 6.50 1479 1325 A 97 TYR HB3 A 98 LEU HG 1.0 . 6.50 1480 1326 A 98 LEU HG A 97 TYR HB2 1.0 . 6.50 1481 1327 A 102 THR HG2% A 98 LEU HG 1.0 . 6.38 1482 1328 A 41 GLY HA3 A 42 GLN HA 1.0 . 6.50 1483 1329 A 79 LYS HA A 79 LYS HD2 1.0 . 6.50 1484 1330 A 70 ASN HA A 69 GLU HA 1.0 . 6.50 1485 1331 A 72 LYS H A 70 ASN HA 1.0 . 6.50 1486 1332 A 70 ASN HA A 69 GLU HB3 1.0 . 6.50 1487 1333 A 70 ASN HA A 73 LYS HB2 1.0 . 6.50 1488 1333 A 73 LYS HB3 A 70 ASN HA 1.0 . 6.50 1489 1334 A 70 ASN HA A 85 ILE H 1.0 . 6.50 1490 1335 A 75 ILE HG2% A 74 TYR H 1.0 . 6.50 1491 1336 A 75 ILE HG2% A 52 ASN HA 1.0 . 6.50 1492 1337 A 75 ILE HG2% A 74 TYR HA 1.0 . 6.50 1493 1338 A 62 ASP HA A 65 MET HB3 1.0 . 6.50 1494 1339 A 71 PRO HD2 A 82 PHE HE% 1.0 . 6.50 1495 1340 A 71 PRO HD2 A 82 PHE HA 1.0 . 6.50 1496 1341 A 71 PRO HD2 A 72 LYS HB3 1.0 . 6.50 1497 1342 A 71 PRO HD2 A 70 ASN HD21 1.0 . 6.50 1498 1343 A 8 LYS HA A 8 LYS HE2 1.0 . 6.50 1499 1343 A 8 LYS HA A 8 LYS HE3 1.0 . 6.50 1500 1344 A 13 LYS HB3 A 13 LYS HE3 1.0 . 6.50 1501 1345 A 13 LYS HB2 A 13 LYS HE3 1.0 . 6.50 1502 1346 A 13 LYS H A 13 LYS HE3 1.0 . 6.50 1503 1347 A 17 CYS HB2 A 16 GLN HB3 1.0 . 6.50 1504 1348 A 12 MET HB2 A 11 ILE HB 1.0 . 5.87 1505 1349 A 54 ASN HA A 53 LYS HB3 1.0 . 6.50 1506 1350 A 54 ASN HA A 54 ASN HD22 1.0 . 6.50 1507 1351 A 54 ASN HA A 51 ALA HB% 1.0 . 6.50 1508 1352 A 54 ASN HA A 53 LYS HB2 1.0 . 6.50 1509 1353 A 54 ASN HA A 53 LYS HD2 1.0 . 6.50 1510 1353 A 54 ASN HA A 53 LYS HD3 1.0 . 6.50 1511 1354 A 39 LYS HB2 A 39 LYS HE2 1.0 . 6.50 1512 1354 A 39 LYS HB2 A 39 LYS HE3 1.0 . 6.50 1513 1355 A 39 LYS HB2 A 38 ARG HB2 1.0 . 6.50 1514 1355 A 38 ARG HB3 A 39 LYS HB2 1.0 . 6.50 1515 1356 A 98 LEU HB2 A 99 LYS HA 1.0 . 6.50 1516 1357 A 99 LYS HD2 A 99 LYS HA 1.0 . 6.50 1517 1358 A 36 PHE HD% A 99 LYS HA 1.0 . 6.50 1518 1359 A 99 LYS HA A 98 LEU HA 1.0 . 6.50 1519 1360 A 99 LYS HA A 98 LEU HB3 1.0 . 6.50 1520 1361 A 99 LYS HA A 36 PHE HE% 1.0 . 6.50 1521 1362 A 73 LYS HA A 73 LYS HD2 1.0 . 5.50 1522 1362 A 73 LYS HD3 A 73 LYS HA 1.0 . 5.50 1523 1363 A 73 LYS HA A 73 LYS HE2 1.0 . 6.50 1524 1363 A 73 LYS HA A 73 LYS HE3 1.0 . 6.50 1525 1364 A 75 ILE HG2% A 76 PRO HD3 1.0 . 6.50 1526 1365 A 77 GLY HA3 A 76 PRO HA 1.0 . 6.50 1527 1366 A 77 GLY HA3 A 76 PRO HB2 1.0 . 6.50 1528 1367 A 20 VAL HG2% A 21 GLU HG2 1.0 . 6.50 1529 1367 A 21 GLU HG3 A 20 VAL HG2% 1.0 . 6.50 1530 1368 A 22 LYS HA A 21 GLU HG2 1.0 . 6.50 1531 1368 A 22 LYS HA A 21 GLU HG3 1.0 . 6.50 1532 1369 A 102 THR HG2% A 104 GLU HB2 1.0 . 6.50 1533 1370 A 17 CYS HB3 A 29 GLY HA2 1.0 . 6.50 1534 1371 A 17 CYS HA A 29 GLY HA2 1.0 . 6.50 1535 1372 A 28 THR HA A 29 GLY HA2 1.0 . 6.50 1536 1373 A 17 CYS HB2 A 29 GLY HA2 1.0 . 6.50 1537 1374 A 46 TYR HD% A 29 GLY HA2 1.0 . 6.50 1538 1375 A 28 THR HB A 29 GLY HA2 1.0 . 6.50 1539 1376 A 85 ILE HG2% A 90 GLU HB3 1.0 . 5.67 1540 1377 A 98 LEU HB2 A 99 LYS HB3 1.0 . 6.50 1541 1378 A 36 PHE HD% A 99 LYS HB3 1.0 . 6.50 1542 1379 A 99 LYS HB3 A 99 LYS HE2 1.0 . 6.48 1543 1379 A 99 LYS HE3 A 99 LYS HB3 1.0 . 6.48 1544 1380 A 36 PHE HE% A 99 LYS HB3 1.0 . 6.48 1545 1381 A 5 LYS HG2 A 2 ASP HB3 1.0 . 6.50 1546 1382 A 2 ASP HB3 A 5 LYS HG3 1.0 . 6.50 1547 1383 A 2 ASP HB3 A 4 GLU H 1.0 . 6.50 1548 1384 A 95 ILE HD1% A 65 MET HG2 1.0 . 6.05 1549 1385 A 95 ILE HA A 96 ALA HB% 1.0 . 6.50 1550 1386 A 96 ALA HB% A 95 ILE HB 1.0 . 6.50 1551 1387 A 24 GLY HA2 A 25 LYS HA 1.0 . 6.50 1552 1388 A 25 LYS HA A 25 LYS HE2 1.0 . 6.50 1553 1388 A 25 LYS HA A 25 LYS HE3 1.0 . 6.50 1554 1389 A 25 LYS HA A 25 LYS HD2 1.0 . 5.79 1555 1389 A 25 LYS HA A 25 LYS HD3 1.0 . 5.79 1556 1390 A 19 THR H A 31 ASN HB3 1.0 . 6.50 1557 1391 A 7 LYS HB3 A 6 GLY HA3 1.0 . 6.50 1558 1392 A 11 ILE HD1% A 7 LYS HB3 1.0 . 6.50 1559 1393 A 35 LEU HD2% A 38 ARG HD2 1.0 . 6.50 1560 1394 A 59 TRP HD1 A 38 ARG HD2 1.0 . 6.50 1561 1395 A 38 ARG HD2 A 40 THR H 1.0 . 6.50 1562 1396 A 54 ASN H A 53 LYS HB3 1.0 . 6.50 1563 1397 A 92 ALA HA A 91 ARG HB3 1.0 . 6.17 1564 1398 A 92 ALA HA A 91 ARG HB2 1.0 . 6.50 1565 1399 A 95 ILE HD1% A 92 ALA HA 1.0 . 6.11 1566 1400 A 64 LEU HA A 67 TYR HA 1.0 . 6.50 1567 1401 A 67 TYR HA A 64 LEU HD1% 1.0 . 6.50 1568 1401 A 67 TYR HA A 64 LEU HD2% 1.0 . 6.50 1569 1402 A 67 TYR HA A 69 GLU HB2 1.0 . 6.50 1570 1403 A 67 TYR HA A 74 TYR HD% 1.0 . 6.50 1571 1404 A 67 TYR HA A 66 GLU H 1.0 . 6.50 1572 1405 A 33 HIS HB2 A 32 LEU HA 1.0 . 6.50 1573 1406 A 33 HIS HB2 A 102 THR HG2% 1.0 . 6.50 1574 1407 A 33 HIS HB2 A 32 LEU H 1.0 . 6.50 1575 1408 A 51 ALA HA A 52 ASN HB3 1.0 . 6.50 1576 1409 A 52 ASN HB3 A 51 ALA HB% 1.0 . 6.50 1577 1410 A 92 ALA HB% A 1 GLY HA2 1.0 . 6.50 1578 1411 A 96 ALA HB% A 1 GLY HA2 1.0 . 5.35 1579 1412 A 1 GLY HA2 A 2 ASP HA 1.0 . 6.50 1580 1413 A 82 PHE HE% A 13 LYS HG3 1.0 . 6.50 1581 1414 A 31 ASN HA A 32 LEU HB2 1.0 . 6.50 1582 1415 A 58 ILE HD1% A 60 GLY HA3 1.0 . 6.50 1583 1416 A 60 GLY HA3 A 61 GLU HB2 1.0 . 6.50 1584 1416 A 60 GLY HA3 A 61 GLU HB3 1.0 . 6.50 1585 1417 A 60 GLY HA3 A 59 TRP HA 1.0 . 6.50 1586 1418 A 36 PHE HE% A 60 GLY HA3 1.0 . 6.50 1587 1419 A 64 LEU HG A 60 GLY HA3 1.0 . 6.50 1588 1420 A 36 PHE HB2 A 35 LEU HA 1.0 . 6.50 1589 1421 A 36 PHE HD% A 35 LEU HA 1.0 . 6.50 1590 1422 A 35 LEU HD1% A 35 LEU HA 1.0 . 5.81 1591 1423 A 38 ARG HG3 A 35 LEU HA 1.0 . 6.50 1592 1424 A 35 LEU HA A 32 LEU HG 1.0 . 6.50 1593 1425 A 35 LEU HA A 102 THR HB 1.0 . 6.50 1594 1426 A 14 CYS HB2 A 10 PHE HA 1.0 . 6.50 1595 1427 A 10 PHE HA A 12 MET H 1.0 . 6.50 1596 1428 A 9 ILE HB A 10 PHE HA 1.0 . 6.50 1597 1429 A 10 PHE HA A 10 PHE HE2 1.0 . 6.50 1598 1430 A 94 LEU HG A 10 PHE HA 1.0 . 5.55 1599 1431 A 10 PHE HA A 9 ILE HA 1.0 . 6.50 1600 1432 A 10 PHE HA A 10 PHE HD2 1.0 . 6.45 1601 1433 A 14 CYS HB2 A 15 SER HA 1.0 . 6.45 1602 1434 A 27 LYS HB2 A 26 HIS HA 1.0 . 6.50 1603 1435 A 102 THR HA A 33 HIS HA 1.0 . 5.79 1604 1436 A 81 ILE HA A 82 PHE HA 1.0 . 6.50 1605 1437 A 81 ILE HB A 82 PHE HA 1.0 . 6.50 1606 1438 A 82 PHE HA A 80 MET HG3 1.0 . 6.50 1607 1439 A 78 THR HB A 77 GLY HA2 1.0 . 6.50 1608 1440 A 21 GLU HB3 A 20 VAL HG2% 1.0 . 6.50 1609 1441 A 22 LYS HA A 21 GLU HB3 1.0 . 6.50 1610 1442 A 21 GLU HB3 A 23 GLY H 1.0 . 6.50 1611 1443 A 104 GLU HA A 103 ASN HA 1.0 . 6.50 1612 1444 A 59 TRP HB3 A 35 LEU HD1% 1.0 . 6.50 1613 1445 A 35 LEU HD1% A 34 GLY H 1.0 . 6.50 1614 1446 A 16 GLN HB3 A 15 SER HB2 1.0 . 5.09 1615 1447 A 82 PHE HB3 A 83 VAL HB 1.0 . 6.50 1616 1448 A 22 LYS HA A 23 GLY HA2 1.0 . 6.50 1617 1449 A 23 GLY HA2 A 22 LYS H 1.0 . 6.50 1618 1450 A 96 ALA HB% A 97 TYR HB2 1.0 . 6.50 1619 1451 A 14 CYS HB2 A 10 PHE HB3 1.0 . 6.50 1620 1452 A 10 PHE HB3 A 7 LYS HA 1.0 . 6.50 1621 1453 A 12 MET H A 10 PHE HB3 1.0 . 6.50 1622 1454 A 9 ILE HB A 10 PHE HB3 1.0 . 6.50 1623 1455 A 94 LEU HG A 10 PHE HB3 1.0 . 5.89 1624 1456 A 14 CYS HB3 A 10 PHE HB3 1.0 . 6.50 1625 1457 A 24 GLY HA3 A 25 LYS HB3 1.0 . 6.50 1626 1458 A 94 LEU HA A 94 LEU HD1% 1.0 . 5.19 1627 1458 A 94 LEU HA A 94 LEU HD2% 1.0 . 5.19 1628 1459 A 97 TYR HA A 3 VAL HA 1.0 . 5.84 1629 1460 A 96 ALA HB% A 3 VAL HA 1.0 . 5.91 1630 1461 A 2 ASP HB2 A 3 VAL HA 1.0 . 6.50 1631 1462 A 3 VAL HA A 2 ASP HA 1.0 . 6.50 1632 1463 A 79 LYS HB3 A 79 LYS HE2 1.0 . 6.50 1633 1464 A 79 LYS HB3 A 79 LYS HE3 1.0 . 6.50 1634 1465 A 95 ILE HG2% A 61 GLU HA 1.0 . 5.43 1635 1466 A 26 HIS HB2 A 25 LYS HB3 1.0 . 6.50 1636 1467 A 26 HIS HB2 A 46 TYR HD% 1.0 . 6.50 1637 1468 A 52 ASN HA A 74 TYR HE% 1.0 . 6.50 1638 1469 A 21 GLU HA A 20 VAL HG2% 1.0 . 6.50 1639 1470 A 21 GLU HA A 20 VAL HB 1.0 . 6.50 1640 1471 A 24 GLY H A 21 GLU HA 1.0 . 6.50 1641 1472 A 60 GLY HA3 A 61 GLU HG2 1.0 . 6.50 1642 1473 A 95 ILE HG2% A 61 GLU HG2 1.0 . 5.63 1643 1474 A 60 GLY HA2 A 61 GLU HG2 1.0 . 6.50 1644 1475 A 36 PHE HE% A 61 GLU HG2 1.0 . 6.50 1645 1476 A 43 ALA HB% A 46 TYR HA 1.0 . 6.21 1646 1477 A 65 MET HB3 A 66 GLU HB3 1.0 . 6.50 1647 1478 A 65 MET HA A 66 GLU HB3 1.0 . 6.50 1648 1479 A 65 MET HB2 A 66 GLU HB3 1.0 . 6.50 1649 1480 A 51 ALA HA A 54 ASN HB2 1.0 . 6.50 1650 1480 A 54 ASN HB3 A 51 ALA HA 1.0 . 6.50 1651 1481 A 71 PRO HG3 A 82 PHE HB3 1.0 . 6.50 1652 1482 A 81 ILE HB A 82 PHE HB3 1.0 . 6.50 1653 1483 A 82 PHE HB3 A 80 MET HG3 1.0 . 6.02 1654 1484 A 22 LYS HB3 A 22 LYS HE2 1.0 . 6.50 1655 1484 A 22 LYS HE3 A 22 LYS HB3 1.0 . 6.50 1656 1485 A 60 GLY H A 35 LEU HG 1.0 . 6.50 1657 1486 A 71 PRO HB3 A 72 LYS HD2 1.0 . 6.50 1658 1486 A 71 PRO HB3 A 72 LYS HD3 1.0 . 6.50 1659 1487 A 72 LYS HA A 71 PRO HA 1.0 . 6.50 1660 1488 A 71 PRO HA A 70 ASN HD21 1.0 . 6.50 1661 1489 A 34 GLY HA3 A 35 LEU HB2 1.0 . 6.50 1662 1490 A 59 TRP HB3 A 35 LEU HB2 1.0 . 6.50 1663 1491 A 36 PHE HD% A 35 LEU HB2 1.0 . 6.50 1664 1492 A 38 ARG HG3 A 35 LEU HB2 1.0 . 6.50 1665 1493 A 36 PHE HE% A 35 LEU HB2 1.0 . 6.50 1666 1494 A 24 GLY HA2 A 25 LYS HD2 1.0 . 6.50 1667 1494 A 24 GLY HA2 A 25 LYS HD3 1.0 . 6.50 1668 1495 A 24 GLY HA3 A 25 LYS HD2 1.0 . 6.50 1669 1495 A 24 GLY HA3 A 25 LYS HD3 1.0 . 6.50 1670 1496 A 5 LYS HA A 6 GLY HA3 1.0 . 6.50 1671 1497 A 97 TYR HD2 A 6 GLY HA3 1.0 . 6.50 1672 1498 A 97 TYR HD1 A 6 GLY HA3 1.0 . 6.50 1673 1499 A 6 GLY HA3 A 5 LYS HB2 1.0 . 6.40 1674 1499 A 5 LYS HB3 A 6 GLY HA3 1.0 . 6.40 1675 1500 A 74 TYR HB3 A 75 ILE HD1% 1.0 . 6.50 1676 1501 A 74 TYR HB3 A 73 LYS HB2 1.0 . 6.50 1677 1501 A 74 TYR HB3 A 73 LYS HB3 1.0 . 6.50 1678 1502 A 5 LYS H A 8 LYS HB2 1.0 . 6.50 1679 1502 A 5 LYS H A 8 LYS HB3 1.0 . 6.50 1680 1503 A 64 LEU H A 61 GLU HA 1.0 . 6.50 1681 1504 A 60 GLY HA3 A 61 GLU HA 1.0 . 6.50 1682 1505 A 36 PHE HE% A 61 GLU HA 1.0 . 6.50 1683 1506 A 64 LEU HG A 61 GLU HA 1.0 . 6.48 1684 1507 A 87 LYS HB2 A 87 LYS HE2 1.0 . 5.82 1685 1507 A 87 LYS HE3 A 87 LYS HB2 1.0 . 5.82 1686 1508 A 86 LYS HB3 A 87 LYS HE2 1.0 . 6.41 1687 1508 A 87 LYS HE3 A 86 LYS HB2 1.0 . 6.41 1688 1508 A 87 LYS HE3 A 86 LYS HB3 1.0 . 6.41 1689 1508 A 86 LYS HB2 A 87 LYS HE2 1.0 . 6.41 1690 1509 A 87 LYS HB3 A 87 LYS HE2 1.0 . 6.50 1691 1509 A 87 LYS HB3 A 87 LYS HE3 1.0 . 6.50 1692 1510 A 15 SER HB2 A 11 ILE HA 1.0 . 6.23 1693 1511 A 16 GLN HE21 A 15 SER HB2 1.0 . 6.50 1694 1512 A 15 SER HB2 A 11 ILE HG2% 1.0 . 6.50 1695 1513 A 15 SER HB2 A 14 CYS HB3 1.0 . 6.50 1696 1514 A 98 LEU HB3 A 99 LYS HE2 1.0 . 6.19 1697 1514 A 99 LYS HE3 A 98 LEU HB3 1.0 . 6.19 1698 1515 A 36 PHE HE% A 99 LYS HE2 1.0 . 6.50 1699 1515 A 99 LYS HE3 A 36 PHE HE% 1.0 . 6.50 1700 1516 A 68 LEU HA A 69 GLU HB2 1.0 . 6.50 1701 1517 A 68 LEU HB3 A 69 GLU HB2 1.0 . 5.86 1702 1518 A 100 LYS HB3 A 101 ALA HA 1.0 . 6.50 1703 1519 A 59 TRP H A 39 LYS HA 1.0 . 6.50 1704 1520 A 39 LYS HA A 39 LYS HD2 1.0 . 6.49 1705 1520 A 39 LYS HD3 A 39 LYS HA 1.0 . 6.49 1706 1521 A 58 ILE HA A 39 LYS HA 1.0 . 5.25 1707 1522 A 58 ILE HG2% A 39 LYS HA 1.0 . 6.43 1708 1523 A 39 LYS HA A 38 ARG HB2 1.0 . 6.50 1709 1523 A 38 ARG HB3 A 39 LYS HA 1.0 . 6.50 1710 1524 A 38 ARG HA A 39 LYS HA 1.0 . 6.50 1711 1525 A 87 LYS HA A 85 ILE HG2% 1.0 . 6.50 1712 1526 A 85 ILE HG2% A 91 ARG HD2 1.0 . 6.50 1713 1527 A 85 ILE HG2% A 84 GLY HA3 1.0 . 6.50 1714 1528 A 90 GLU H A 90 GLU HG3 1.0 . 6.50 1715 1529 A 58 ILE HA A 38 ARG H 1.0 . 6.50 1716 1530 A 78 THR HA A 75 ILE HB 1.0 . 6.50 1717 1531 A 102 THR HG2% A 34 GLY HA3 1.0 . 6.50 1718 1532 A 102 THR HG2% A 35 LEU HB2 1.0 . 6.50 1719 1533 A 101 ALA HA A 102 THR HG2% 1.0 . 6.50 1720 1534 A 102 THR HG2% A 101 ALA HB% 1.0 . 5.55 1721 1535 A 102 THR HG2% A 103 ASN HA 1.0 . 5.64 1722 1536 A 102 THR HG2% A 34 GLY HA2 1.0 . 6.50 1723 1537 A 33 HIS HB3 A 34 GLY HA2 1.0 . 6.50 1724 1538 A 4 GLU HG2 A 3 VAL HA 1.0 . 6.50 1725 1539 A 9 ILE HB A 12 MET H 1.0 . 6.50 1726 1540 A 9 ILE HB A 6 GLY HA3 1.0 . 6.50 1727 1541 A 9 ILE HB A 6 GLY H 1.0 . 6.27 1728 1542 A 17 CYS HB3 A 18 HIS HB3 1.0 . 6.50 1729 1543 A 17 CYS HB2 A 18 HIS HB3 1.0 . 6.50 1730 1544 A 71 PRO HB2 A 82 PHE H 1.0 . 6.50 1731 1545 A 71 PRO HB2 A 70 ASN HA 1.0 . 6.50 1732 1546 A 71 PRO HB2 A 80 MET HG2 1.0 . 6.50 1733 1547 A 71 PRO HB2 A 80 MET HG3 1.0 . 6.50 1734 1548 A 19 THR HB A 20 VAL HG1% 1.0 . 6.50 1735 1549 A 20 VAL HG1% A 102 THR H 1.0 . 6.50 1736 1550 A 20 VAL HG1% A 102 THR HA 1.0 . 6.50 1737 1551 A 21 GLU HB3 A 20 VAL HG1% 1.0 . 6.50 1738 1552 A 21 GLU HA A 20 VAL HG1% 1.0 . 6.50 1739 1553 A 19 THR H A 20 VAL HG1% 1.0 . 6.50 1740 1554 A 21 GLU HB2 A 20 VAL HG1% 1.0 . 6.50 1741 1555 A 20 VAL HG1% A 10 PHE HD2 1.0 . 6.50 1742 1556 A 101 ALA H A 20 VAL HG1% 1.0 . 6.50 1743 1557 A 22 LYS HB2 A 21 GLU HG2 1.0 . 6.50 1744 1557 A 21 GLU HG3 A 22 LYS HB2 1.0 . 6.50 1745 1558 A 22 LYS HB2 A 22 LYS HE2 1.0 . 6.50 1746 1558 A 22 LYS HB2 A 22 LYS HE3 1.0 . 6.50 1747 1559 A 60 GLY HA2 A 59 TRP HA 1.0 . 6.50 1748 1560 A 36 PHE HE% A 60 GLY HA2 1.0 . 6.50 1749 1561 A 17 CYS HB3 A 18 HIS HA 1.0 . 6.50 1750 1562 A 17 CYS HA A 18 HIS HA 1.0 . 6.50 1751 1563 A 18 HIS HA A 32 LEU HD2% 1.0 . 6.50 1752 1564 A 18 HIS HA A 20 VAL H 1.0 . 6.50 1753 1565 A 36 PHE HD% A 99 LYS HB2 1.0 . 6.50 1754 1566 A 99 LYS HB2 A 36 PHE HE% 1.0 . 5.97 1755 1567 A 32 LEU HD1% A 20 VAL HG2% 1.0 . 6.28 1756 1568 A 14 CYS HB2 A 32 LEU HD1% 1.0 . 6.50 1757 1569 A 32 LEU HD1% A 35 LEU H 1.0 . 6.50 1758 1570 A 18 HIS HA A 32 LEU HD1% 1.0 . 6.50 1759 1571 A 27 LYS HB2 A 27 LYS HE2 1.0 . 6.50 1760 1571 A 27 LYS HB2 A 27 LYS HE3 1.0 . 6.50 1761 1572 A 26 HIS HA A 27 LYS HE2 1.0 . 6.50 1762 1572 A 26 HIS HA A 27 LYS HE3 1.0 . 6.50 1763 1573 A 27 LYS HB3 A 27 LYS HE2 1.0 . 6.26 1764 1573 A 27 LYS HE3 A 27 LYS HB3 1.0 . 6.26 1765 1574 A 95 ILE HA A 96 ALA HA 1.0 . 6.50 1766 1575 A 96 ALA HA A 3 VAL HG2% 1.0 . 6.07 1767 1576 A 96 ALA HA A 2 ASP HA 1.0 . 6.50 1768 1577 A 4 GLU HA A 3 VAL HB 1.0 . 5.53 1769 1578 A 4 GLU HA A 7 LYS HB3 1.0 . 6.08 1770 1579 A 3 VAL HG1% A 4 GLU HA 1.0 . 6.40 1771 1580 A 13 LYS HB3 A 9 ILE HG2% 1.0 . 6.35 1772 1581 A 9 ILE HG2% A 8 LYS HB2 1.0 . 6.50 1773 1581 A 8 LYS HB3 A 9 ILE HG2% 1.0 . 6.50 1774 1582 A 9 ILE HG2% A 8 LYS HA 1.0 . 6.50 1775 1583 A 50 ALA HB% A 49 THR HA 1.0 . 6.50 1776 1584 A 50 ALA HB% A 42 GLN H 1.0 . 6.50 1777 1585 A 98 LEU HD2% A 97 TYR HA 1.0 . 6.50 1778 1586 A 97 TYR HB3 A 98 LEU HD2% 1.0 . 6.50 1779 1587 A 98 LEU HD2% A 97 TYR HB2 1.0 . 6.50 1780 1588 A 98 LEU HD2% A 10 PHE H 1.0 . 6.50 1781 1589 A 98 LEU HD2% A 98 LEU HA 1.0 . 4.79 1782 1590 A 58 ILE HG2% A 57 ILE HA 1.0 . 6.50 1783 1591 A 40 THR HG2% A 39 LYS HA 1.0 . 6.50 1784 1592 A 59 TRP HD1 A 40 THR HG2% 1.0 . 6.50 1785 1593 A 40 THR HG2% A 38 ARG HG3 1.0 . 6.50 1786 1594 A 40 THR HG2% A 42 GLN HE22 1.0 . 6.50 1787 1595 A 41 GLY HA2 A 40 THR HB 1.0 . 6.50 1788 1596 A 59 TRP HZ3 A 66 GLU HG3 1.0 . 6.50 1789 1597 A 67 TYR HD% A 66 GLU HG3 1.0 . 6.50 1790 1598 A 65 MET HA A 66 GLU HG3 1.0 . 6.50 1791 1599 A 40 THR H A 38 ARG HB2 1.0 . 6.50 1792 1599 A 38 ARG HB3 A 40 THR H 1.0 . 6.50 1793 1600 A 94 LEU HB3 A 93 ASP HB2 1.0 . 6.50 1794 1600 A 94 LEU HB3 A 93 ASP HB3 1.0 . 6.50 1795 1601 A 36 PHE HB2 A 35 LEU HB3 1.0 . 6.50 1796 1602 A 35 LEU HB3 A 32 LEU HD2% 1.0 . 6.50 1797 1603 A 102 THR HG2% A 35 LEU HB3 1.0 . 6.39 1798 1604 A 34 GLY HA2 A 35 LEU HB3 1.0 . 6.50 1799 1605 A 32 LEU HD1% A 35 LEU HB3 1.0 . 6.50 1800 1606 A 38 ARG HG3 A 35 LEU HB3 1.0 . 6.50 1801 1607 A 36 PHE HE% A 35 LEU HB3 1.0 . 6.50 1802 1608 A 72 LYS HB3 A 72 LYS HE2 1.0 . 6.50 1803 1608 A 72 LYS HE3 A 72 LYS HB3 1.0 . 6.50 1804 1609 A 71 PRO HB2 A 72 LYS HB3 1.0 . 6.50 1805 1610 A 42 GLN HA A 43 ALA HB% 1.0 . 6.50 1806 1611 A 46 TYR HD% A 43 ALA HB% 1.0 . 6.50 1807 1612 A 43 ALA HB% A 42 GLN HB3 1.0 . 6.50 1808 1613 A 59 TRP HE3 A 64 LEU HB2 1.0 . 6.50 1809 1614 A 64 LEU HB2 A 60 GLY HA2 1.0 . 6.50 1810 1615 A 64 LEU HB2 A 63 THR HB 1.0 . 6.50 1811 1616 A 101 ALA HA A 100 LYS HB2 1.0 . 6.50 1812 1617 A 63 THR HA A 62 ASP HA 1.0 . 6.14 1813 1618 A 59 TRP HZ3 A 63 THR HA 1.0 . 6.50 1814 1619 A 13 LYS HA A 13 LYS HE3 1.0 . 6.50 1815 1620 A 82 PHE HE% A 13 LYS HA 1.0 . 6.50 1816 1621 A 13 LYS HA A 12 MET H 1.0 . 6.50 1817 1622 A 13 LYS HA A 13 LYS HD2 1.0 . 5.32 1818 1622 A 13 LYS HD3 A 13 LYS HA 1.0 . 5.32 1819 1623 A 12 MET HA A 13 LYS HA 1.0 . 6.50 1820 1624 A 15 SER H A 13 LYS HA 1.0 . 6.50 1821 1625 A 100 LYS HB2 A 2 ASP HB2 1.0 . 6.50 1822 1626 A 72 LYS HA A 73 LYS HG2 1.0 . 6.50 1823 1626 A 73 LYS HG3 A 72 LYS HA 1.0 . 6.50 1824 1627 A 94 LEU HG A 10 PHE HB2 1.0 . 6.50 1825 1628 A 94 LEU HG A 93 ASP HB2 1.0 . 6.50 1826 1628 A 93 ASP HB3 A 94 LEU HG 1.0 . 6.50 1827 1629 A 94 LEU HG A 9 ILE H 1.0 . 6.50 1828 1630 A 31 ASN HA A 32 LEU HD2% 1.0 . 6.50 1829 1631 A 32 LEU HD1% A 31 ASN HA 1.0 . 6.50 1830 1632 A 99 LYS HA A 99 LYS HD3 1.0 . 6.50 1831 1633 A 82 PHE HE% A 84 GLY HA2 1.0 . 6.50 1832 1634 A 82 PHE HD% A 84 GLY HA2 1.0 . 6.50 1833 1635 A 88 LYS HA A 89 GLU HA 1.0 . 6.50 1834 1636 A 68 LEU HB3 A 65 MET HA 1.0 . 6.38 1835 1637 A 95 ILE HD1% A 65 MET HA 1.0 . 5.75 1836 1638 A 18 HIS H A 28 THR HG2% 1.0 . 6.44 1837 1639 A 17 CYS HB2 A 28 THR HG2% 1.0 . 6.50 1838 1640 A 28 THR HG2% A 29 GLY HA2 1.0 . 6.50 1839 1641 A 79 LYS HA A 79 LYS HD3 1.0 . 6.50 1840 1642 A 85 ILE HG13 A 84 GLY HA3 1.0 . 6.50 1841 1643 A 69 GLU HB3 A 70 ASN HB2 1.0 . 6.50 1842 1643 A 70 ASN HB3 A 69 GLU HB3 1.0 . 6.50 1843 1644 A 69 GLU HB2 A 70 ASN HB2 1.0 . 6.50 1844 1644 A 70 ASN HB3 A 69 GLU HB2 1.0 . 6.50 1845 1645 A 70 ASN HB3 A 73 LYS HG2 1.0 . 6.50 1846 1645 A 70 ASN HB2 A 73 LYS HG2 1.0 . 6.50 1847 1645 A 73 LYS HG3 A 70 ASN HB2 1.0 . 6.50 1848 1645 A 73 LYS HG3 A 70 ASN HB3 1.0 . 6.50 1849 1646 A 70 ASN HB2 A 73 LYS HB2 1.0 . 5.91 1850 1646 A 70 ASN HB3 A 73 LYS HB2 1.0 . 5.91 1851 1646 A 73 LYS HB3 A 70 ASN HB2 1.0 . 5.91 1852 1646 A 73 LYS HB3 A 70 ASN HB3 1.0 . 5.91 1853 1647 A 74 TYR HB2 A 75 ILE HD1% 1.0 . 6.50 1854 1648 A 74 TYR HD% A 75 ILE HD1% 1.0 . 6.06 1855 1649 A 74 TYR HA A 75 ILE HD1% 1.0 . 6.50 1856 1650 A 58 ILE HB A 63 THR HB 1.0 . 6.50 1857 1651 A 59 TRP HE3 A 63 THR HB 1.0 . 6.50 1858 1652 A 59 TRP HZ3 A 63 THR HB 1.0 . 6.35 1859 1653 A 64 LEU HB3 A 59 TRP HE3 1.0 . 6.50 1860 1654 A 64 LEU HB3 A 60 GLY H 1.0 . 6.50 1861 1655 A 64 LEU HB3 A 63 THR HA 1.0 . 6.50 1862 1656 A 64 LEU HB3 A 63 THR HB 1.0 . 6.50 1863 1657 A 95 ILE HD1% A 64 LEU HB3 1.0 . 5.23 1864 1658 A 82 PHE HA A 71 PRO HG2 1.0 . 6.50 1865 1659 A 71 PRO HG2 A 80 MET HG3 1.0 . 6.09 1866 1660 A 71 PRO HG2 A 84 GLY HA2 1.0 . 6.50 1867 1661 A 71 PRO HG2 A 80 MET HB3 1.0 . 6.50 1868 1662 A 73 LYS HB3 A 73 LYS HE2 1.0 . 5.62 1869 1662 A 73 LYS HB2 A 73 LYS HE2 1.0 . 5.62 1870 1662 A 73 LYS HE3 A 73 LYS HB2 1.0 . 5.62 1871 1662 A 73 LYS HE3 A 73 LYS HB3 1.0 . 5.62 1872 1663 A 16 GLN HB2 A 15 SER HB2 1.0 . 6.50 1873 1664 A 14 CYS H A 12 MET HG2 1.0 . 6.50 1874 1665 A 6 GLY HA2 A 9 ILE HD1% 1.0 . 5.51 1875 1666 A 6 GLY HA2 A 5 LYS HA 1.0 . 6.50 1876 1667 A 9 ILE HB A 6 GLY HA2 1.0 . 6.39 1877 1668 A 6 GLY HA2 A 97 TYR HD1 1.0 . 6.50 1878 1669 A 94 LEU HB3 A 6 GLY HA2 1.0 . 6.50 1879 1670 A 6 GLY HA2 A 5 LYS HB2 1.0 . 6.50 1880 1670 A 6 GLY HA2 A 5 LYS HB3 1.0 . 6.50 1881 1671 A 20 VAL HG2% A 19 THR HA 1.0 . 6.50 1882 1672 A 20 VAL HG1% A 19 THR HA 1.0 . 6.50 1883 1673 A 8 LYS HA A 7 LYS HB3 1.0 . 6.38 1884 1674 A 11 ILE HD1% A 8 LYS HA 1.0 . 6.50 1885 1675 A 8 LYS HA A 8 LYS HD2 1.0 . 6.50 1886 1675 A 8 LYS HA A 8 LYS HD3 1.0 . 6.50 1887 1676 A 8 LYS HA A 7 LYS HB2 1.0 . 6.50 1888 1677 A 35 LEU HB2 A 32 LEU HG 1.0 . 6.50 1889 1678 A 35 LEU HB3 A 32 LEU HG 1.0 . 6.50 1890 1679 A 39 LYS HB3 A 39 LYS HE2 1.0 . 6.50 1891 1679 A 39 LYS HB3 A 39 LYS HE3 1.0 . 6.50 1892 1680 A 39 LYS HB3 A 42 GLN HG2 1.0 . 6.50 1893 1681 A 39 LYS HB3 A 38 ARG HB2 1.0 . 6.50 1894 1681 A 38 ARG HB3 A 39 LYS HB3 1.0 . 6.50 1895 1682 A 40 THR H A 39 LYS HB3 1.0 . 6.50 1896 1683 A 39 LYS HB3 A 54 ASN HD21 1.0 . 6.50 1897 1684 A 39 LYS HB3 A 38 ARG HA 1.0 . 6.50 1898 1685 A 26 HIS HA A 27 LYS HD3 1.0 . 6.50 1899 1686 A 22 LYS HG3 A 21 GLU HG2 1.0 . 6.16 1900 1686 A 21 GLU HG3 A 22 LYS HG3 1.0 . 6.16 1901 1687 A 21 GLU HA A 22 LYS HG3 1.0 . 6.50 1902 1688 A 98 LEU HA A 97 TYR HA 1.0 . 6.50 1903 1689 A 97 TYR HB3 A 98 LEU HA 1.0 . 6.50 1904 1690 A 98 LEU HA A 97 TYR HD2 1.0 . 6.50 1905 1691 A 98 LEU HA A 97 TYR HB2 1.0 . 6.50 1906 1692 A 98 LEU HA A 102 THR HG2% 1.0 . 5.57 1907 1693 A 98 LEU HA A 20 VAL HG1% 1.0 . 6.50 1908 1694 A 98 LEU HA A 101 ALA HB% 1.0 . 5.43 1909 1695 A 78 THR HG2% A 72 LYS HA 1.0 . 5.44 1910 1696 A 72 LYS HA A 71 PRO HB3 1.0 . 6.50 1911 1697 A 72 LYS HA A 72 LYS HE2 1.0 . 6.50 1912 1697 A 72 LYS HE3 A 72 LYS HA 1.0 . 6.50 1913 1698 A 72 LYS HA A 72 LYS HD2 1.0 . 6.50 1914 1698 A 72 LYS HA A 72 LYS HD3 1.0 . 6.50 1915 1699 A 71 PRO HB2 A 72 LYS HA 1.0 . 6.50 1916 1700 A 58 ILE HG12 A 57 ILE HA 1.0 . 6.50 1917 1701 A 3 VAL HG1% A 97 TYR HA 1.0 . 5.57 1918 1702 A 3 VAL HG1% A 2 ASP HB3 1.0 . 6.50 1919 1703 A 3 VAL HG1% A 6 GLY HA3 1.0 . 5.75 1920 1704 A 3 VAL HG1% A 2 ASP HA 1.0 . 6.36 1921 1705 A 27 LYS HA A 26 HIS H 1.0 . 6.50 1922 1706 A 27 LYS HA A 27 LYS HE2 1.0 . 6.50 1923 1706 A 27 LYS HE3 A 27 LYS HA 1.0 . 6.50 1924 1707 A 27 LYS HD3 A 27 LYS HA 1.0 . 6.50 1925 1708 A 42 GLN HE21 A 42 GLN HB3 1.0 . 6.50 1926 1709 A 9 ILE HD1% A 93 ASP HB2 1.0 . 5.66 1927 1709 A 93 ASP HB3 A 9 ILE HD1% 1.0 . 5.66 1928 1710 A 92 ALA HB% A 93 ASP HB2 1.0 . 6.06 1929 1710 A 93 ASP HB3 A 92 ALA HB% 1.0 . 6.06 1930 1711 A 92 ALA HA A 93 ASP HB2 1.0 . 6.50 1931 1711 A 93 ASP HB3 A 92 ALA HA 1.0 . 6.50 1932 1712 A 6 GLY HA3 A 93 ASP HB2 1.0 . 6.50 1933 1712 A 93 ASP HB3 A 6 GLY HA3 1.0 . 6.50 1934 1713 A 6 GLY HA2 A 93 ASP HB2 1.0 . 6.33 1935 1713 A 93 ASP HB3 A 6 GLY HA2 1.0 . 6.33 1936 1714 A 9 ILE H A 93 ASP HB2 1.0 . 6.50 1937 1714 A 93 ASP HB3 A 9 ILE H 1.0 . 6.50 1938 1715 A 14 CYS HA A 82 PHE HE% 1.0 . 6.50 1939 1716 A 14 CYS HA A 13 LYS HA 1.0 . 6.50 1940 1717 A 14 CYS HA A 13 LYS H 1.0 . 6.50 1941 1718 A 71 PRO HG3 A 82 PHE HB2 1.0 . 6.50 1942 1719 A 82 PHE HB2 A 80 MET HG3 1.0 . 6.43 1943 1720 A 35 LEU HD2% A 38 ARG HD3 1.0 . 6.50 1944 1721 A 59 TRP HD1 A 38 ARG HD3 1.0 . 6.50 1945 1722 A 40 THR H A 38 ARG HD3 1.0 . 6.50 1946 1723 A 38 ARG HA A 38 ARG HD3 1.0 . 6.50 1947 1724 A 54 ASN HA A 55 LYS HA 1.0 . 6.50 1948 1725 A 55 LYS HA A 54 ASN HB2 1.0 . 6.50 1949 1725 A 54 ASN HB3 A 55 LYS HA 1.0 . 6.50 1950 1726 A 85 ILE HG2% A 91 ARG HA 1.0 . 5.70 1951 1727 A 71 PRO HG3 A 84 GLY HA3 1.0 . 6.50 1952 1728 A 82 PHE HE% A 84 GLY HA3 1.0 . 6.50 1953 1729 A 71 PRO HG2 A 84 GLY HA3 1.0 . 6.50 1954 1730 A 33 HIS HB3 A 32 LEU HA 1.0 . 6.50 1955 1731 A 33 HIS HB3 A 102 THR HG2% 1.0 . 6.50 1956 1732 A 33 HIS HB3 A 32 LEU H 1.0 . 6.50 1957 1733 A 51 ALA HA A 52 ASN HB2 1.0 . 6.50 1958 1734 A 75 ILE HG2% A 51 ALA HB% 1.0 . 5.97 1959 1735 A 77 GLY HA3 A 51 ALA HB% 1.0 . 6.50 1960 1736 A 78 THR HG2% A 75 ILE HB 1.0 . 6.22 1961 1737 A 85 ILE HB A 82 PHE HE% 1.0 . 6.50 1962 1738 A 85 ILE HB A 91 ARG HD2 1.0 . 6.50 1963 1739 A 85 ILE HB A 84 GLY HA2 1.0 . 6.50 1964 1740 A 67 TYR HB3 A 64 LEU HD1% 1.0 . 6.50 1965 1740 A 64 LEU HD2% A 67 TYR HB3 1.0 . 6.50 1966 1741 A 73 LYS H A 71 PRO HD3 1.0 . 6.50 1967 1742 A 82 PHE HE% A 71 PRO HD3 1.0 . 6.50 1968 1743 A 82 PHE HA A 71 PRO HD3 1.0 . 6.50 1969 1744 A 72 LYS HB3 A 71 PRO HD3 1.0 . 6.50 1970 1745 A 71 PRO HD3 A 70 ASN HD21 1.0 . 6.50 1971 1746 A 19 THR HB A 20 VAL HA 1.0 . 6.50 1972 1747 A 32 LEU HD1% A 20 VAL HA 1.0 . 6.50 1973 1748 A 19 THR HA A 20 VAL HA 1.0 . 6.50 1974 1749 A 13 LYS HB3 A 13 LYS HE2 1.0 . 6.50 1975 1750 A 82 PHE HE% A 13 LYS HE2 1.0 . 6.50 1976 1751 A 13 LYS HB2 A 13 LYS HE2 1.0 . 6.50 1977 1752 A 13 LYS HA A 13 LYS HE2 1.0 . 6.50 1978 1753 A 13 LYS H A 13 LYS HE2 1.0 . 6.50 1979 1754 A 17 CYS HB3 A 18 HIS HB2 1.0 . 5.77 1980 1755 A 17 CYS HB2 A 18 HIS HB2 1.0 . 6.39 1981 1756 A 12 MET HB3 A 11 ILE HB 1.0 . 6.50 1982 1757 A 58 ILE HD1% A 59 TRP HA 1.0 . 6.50 1983 1758 A 59 TRP HZ3 A 59 TRP HA 1.0 . 6.50 1984 1759 A 58 ILE HA A 59 TRP HA 1.0 . 6.50 1985 1760 A 59 TRP HD1 A 59 TRP HA 1.0 . 6.50 1986 1761 A 9 ILE HD1% A 9 ILE HA 1.0 . 5.79 1987 1762 A 9 ILE HA A 8 LYS HB2 1.0 . 6.50 1988 1762 A 8 LYS HB3 A 9 ILE HA 1.0 . 6.50 1989 1763 A 87 LYS HA A 88 LYS HB2 1.0 . 6.50 1990 1764 A 26 HIS HA A 27 LYS HB3 1.0 . 6.50 1991 1765 A 22 LYS HA A 22 LYS HD2 1.0 . 6.50 1992 1765 A 22 LYS HA A 22 LYS HD3 1.0 . 6.50 1993 1766 A 23 GLY H A 22 LYS HD2 1.0 . 6.50 1994 1766 A 23 GLY H A 22 LYS HD3 1.0 . 6.50 1995 1767 A 81 ILE HA A 81 ILE HD1% 1.0 . 6.18 1996 1768 A 76 PRO HB2 A 77 GLY HA2 1.0 . 6.50 1997 1769 A 21 GLU HB2 A 20 VAL HG2% 1.0 . 6.50 1998 1770 A 22 LYS HA A 21 GLU HB2 1.0 . 6.50 1999 1771 A 17 CYS HB3 A 29 GLY HA3 1.0 . 6.50 2000 1772 A 28 THR HA A 29 GLY HA3 1.0 . 6.50 2001 1773 A 17 CYS HB2 A 29 GLY HA3 1.0 . 6.50 2002 1774 A 28 THR HG2% A 29 GLY HA3 1.0 . 6.50 2003 1775 A 46 TYR HD% A 29 GLY HA3 1.0 . 6.50 2004 1776 A 85 ILE HG2% A 90 GLU HB2 1.0 . 5.30 2005 1777 A 18 HIS HD2 A 14 CYS HB3 1.0 . 6.50 2006 1778 A 32 LEU HD1% A 14 CYS HB3 1.0 . 6.50 2007 1779 A 14 CYS HB3 A 10 PHE HD2 1.0 . 6.50 2008 1780 A 100 LYS HB3 A 101 ALA HB% 1.0 . 6.50 2009 1781 A 102 THR HA A 101 ALA HB% 1.0 . 6.50 2010 1782 A 100 LYS HB2 A 101 ALA HB% 1.0 . 6.50 2011 1783 A 100 LYS HA A 101 ALA HB% 1.0 . 6.50 2012 1784 A 101 ALA HB% A 102 THR HB 1.0 . 6.50 2013 1785 A 94 LEU HB2 A 6 GLY HA2 1.0 . 6.50 2014 1786 A 94 LEU HB2 A 9 ILE HA 1.0 . 6.50 2015 1787 A 31 ASN HB2 A 33 HIS H 1.0 . 6.50 2016 1788 A 19 THR H A 31 ASN HB2 1.0 . 6.50 2017 1789 A 11 ILE HD1% A 7 LYS HB2 1.0 . 6.50 2018 1790 A 6 GLY HA2 A 7 LYS HB2 1.0 . 6.50 2019 1791 A 53 LYS HB2 A 50 ALA HA 1.0 . 6.40 2020 1792 A 54 ASN H A 53 LYS HB2 1.0 . 6.50 2021 1793 A 53 LYS HB2 A 53 LYS HE2 1.0 . 6.50 2022 1793 A 53 LYS HB2 A 53 LYS HE3 1.0 . 6.50 2023 1794 A 93 ASP HA A 1 GLY HA3 1.0 . 6.12 2024 1795 A 93 ASP HA A 2 ASP HA 1.0 . 6.50 2025 1796 A 3 VAL HG2% A 2 ASP HA 1.0 . 6.21 2026 1797 A 96 ALA HB% A 2 ASP HA 1.0 . 6.50 2027 1798 A 4 GLU H A 2 ASP HA 1.0 . 6.50 2028 1799 A 6 GLY H A 2 ASP HA 1.0 . 6.50 2029 1800 A 95 ILE HD1% A 61 GLU HB2 1.0 . 6.37 2030 1800 A 95 ILE HD1% A 61 GLU HB3 1.0 . 6.37 2031 1801 A 95 ILE HD1% A 61 GLU HA 1.0 . 6.50 2032 1802 A 94 LEU HB3 A 95 ILE HD1% 1.0 . 5.74 2033 1803 A 95 ILE HD1% A 64 LEU HB2 1.0 . 5.90 2034 1804 A 95 ILE HD1% A 65 MET HG3 1.0 . 6.50 2035 1805 A 94 LEU HB2 A 95 ILE HD1% 1.0 . 6.50 2036 1806 A 26 HIS HB3 A 25 LYS HB3 1.0 . 6.50 2037 1807 A 46 TYR HD% A 26 HIS HB3 1.0 . 6.50 2038 1808 A 91 ARG HA A 91 ARG HD3 1.0 . 6.50 2039 1809 A 85 ILE HB A 91 ARG HD3 1.0 . 6.50 2040 1810 A 17 CYS HB2 A 28 THR HB 1.0 . 6.50 2041 1811 A 10 PHE HA A 11 ILE HB 1.0 . 6.50 2042 1812 A 8 LYS HA A 11 ILE HB 1.0 . 5.78 2043 1813 A 62 ASP HA A 61 GLU HG3 1.0 . 6.50 2044 1814 A 60 GLY HA3 A 61 GLU HG3 1.0 . 6.50 2045 1815 A 95 ILE HG2% A 61 GLU HG3 1.0 . 5.55 2046 1816 A 60 GLY HA2 A 61 GLU HG3 1.0 . 6.50 2047 1817 A 43 ALA HB% A 46 TYR HB2 1.0 . 6.50 2048 1817 A 43 ALA HB% A 46 TYR HB3 1.0 . 6.50 2049 1818 A 34 GLY HA3 A 102 THR HB 1.0 . 6.50 2050 1819 A 33 HIS HA A 102 THR HB 1.0 . 6.27 2051 1820 A 34 GLY H A 102 THR HB 1.0 . 5.91 2052 1821 A 35 LEU HB2 A 102 THR HB 1.0 . 6.50 2053 1822 A 34 GLY HA2 A 102 THR HB 1.0 . 6.50 2054 1823 A 35 LEU HB3 A 102 THR HB 1.0 . 6.50 2055 1824 A 41 GLY H A 40 THR HB 1.0 . 6.50 2056 1825 A 41 GLY HA3 A 40 THR HB 1.0 . 6.50 2057 1826 A 59 TRP HD1 A 40 THR HB 1.0 . 6.50 2058 1827 A 14 CYS H A 13 LYS HG2 1.0 . 6.50 2059 1828 A 58 ILE HB A 59 TRP HB2 1.0 . 6.50 2060 1829 A 58 ILE HD1% A 59 TRP HB2 1.0 . 5.92 2061 1830 A 59 TRP HB2 A 35 LEU HA 1.0 . 6.50 2062 1831 A 59 TRP HB2 A 35 LEU HG 1.0 . 6.44 2063 1832 A 59 TRP HB2 A 35 LEU HB2 1.0 . 6.50 2064 1833 A 58 ILE HA A 59 TRP HB2 1.0 . 6.50 2065 1834 A 64 LEU HG A 59 TRP HB2 1.0 . 6.50 2066 1835 A 24 GLY HA2 A 25 LYS HG2 1.0 . 6.50 2067 1835 A 24 GLY HA2 A 25 LYS HG3 1.0 . 6.50 2068 1836 A 26 HIS HB2 A 25 LYS HG2 1.0 . 6.50 2069 1836 A 26 HIS HB2 A 25 LYS HG3 1.0 . 6.50 2070 1837 A 24 GLY HA3 A 25 LYS HG2 1.0 . 6.50 2071 1837 A 24 GLY HA3 A 25 LYS HG3 1.0 . 6.50 2072 1838 A 26 HIS HB3 A 25 LYS HG2 1.0 . 6.50 2073 1838 A 26 HIS HB3 A 25 LYS HG3 1.0 . 6.50 2074 1839 A 58 ILE HD1% A 37 GLY HA3 1.0 . 5.66 2075 1840 A 36 PHE HB2 A 37 GLY HA3 1.0 . 6.50 2076 1841 A 37 GLY HA3 A 36 PHE HA 1.0 . 6.50 2077 1842 A 5 LYS HB3 A 5 LYS HE2 1.0 . 6.50 2078 1842 A 5 LYS HB2 A 5 LYS HE2 1.0 . 6.50 2079 1842 A 5 LYS HE3 A 5 LYS HB2 1.0 . 6.50 2080 1842 A 5 LYS HE3 A 5 LYS HB3 1.0 . 6.50 2081 1843 A 28 THR HG2% A 80 MET HA 1.0 . 6.50 2082 1844 A 81 ILE HD1% A 80 MET HA 1.0 . 6.50 2083 1845 A 62 ASP HA A 65 MET HB2 1.0 . 6.50 2084 1846 A 64 LEU HA A 65 MET HB2 1.0 . 6.50 2085 1847 A 64 LEU HB3 A 65 MET HB2 1.0 . 6.50 2086 1848 A 95 ILE HD1% A 65 MET HB2 1.0 . 6.50 2087 1849 A 64 LEU HG A 59 TRP HB3 1.0 . 6.50 2088 1850 A 64 LEU HG A 60 GLY HA2 1.0 . 6.50 2089 1851 A 64 LEU HG A 59 TRP HA 1.0 . 6.50 2090 1852 A 16 GLN HE21 A 15 SER HB3 1.0 . 6.50 2091 1853 A 15 SER HB3 A 11 ILE HG2% 1.0 . 6.50 2092 1854 A 17 CYS H A 15 SER HB3 1.0 . 6.50 2093 1855 A 15 SER HB3 A 11 ILE H 1.0 . 6.50 2094 1856 A 85 ILE HA A 85 ILE HD1% 1.0 . 5.97 2095 1857 A 40 THR H A 38 ARG HA 1.0 . 6.50 2096 1858 A 91 ARG HD2 A 85 ILE HD1% 1.0 . 6.50 2097 1859 A 84 GLY HA2 A 85 ILE HD1% 1.0 . 6.50 2098 1860 A 84 GLY HA3 A 85 ILE HD1% 1.0 . 6.50 2099 1861 A 99 LYS HG3 A 102 THR H 1.0 . 6.50 2100 1862 A 75 ILE HG2% A 76 PRO HD2 1.0 . 6.50 2101 1863 A 91 ARG HD3 A 85 ILE HD1% 1.0 . 6.50 2102 1864 A 85 ILE HG2% A 91 ARG HD3 1.0 . 6.50 2103 1865 A 15 SER HA A 14 CYS HA 1.0 . 6.08 2104 1866 A 78 THR HB A 75 ILE HB 1.0 . 6.24 2105 1867 A 3 VAL HG1% A 97 TYR HD2 1.0 . 6.50 2106 1868 A 94 LEU HA A 9 ILE HD1% 1.0 . 5.56 2107 1869 A 14 CYS HB2 A 10 PHE HE1 1.0 . 6.50 2108 1870 A 19 THR HB A 20 VAL HG2% 1.0 . 6.50 2109 1871 A 19 THR HA A 10 PHE HZ 1.0 . 6.50 2110 1872 A 21 GLU HB3 A 19 THR HB 1.0 . 6.50 2111 1873 A 19 THR HB A 21 GLU HG2 1.0 . 6.50 2112 1873 A 21 GLU HG3 A 19 THR HB 1.0 . 6.50 2113 1874 A 20 VAL HG1% A 10 PHE HZ 1.0 . 6.22 2114 1875 A 101 ALA HA A 100 LYS HG3 1.0 . 6.34 2115 1876 A 103 ASN H A 99 LYS HB3 1.0 . 6.50 2116 1877 A 98 LEU HD2% A 10 PHE HD2 1.0 . 6.50 2117 1878 A 98 LEU HG A 97 TYR HD2 1.0 . 6.50 2118 1879 A 98 LEU HA A 103 ASN H 1.0 . 6.50 2119 1880 A 97 TYR HB3 A 94 LEU HD1% 1.0 . 6.50 2120 1880 A 97 TYR HB3 A 94 LEU HD2% 1.0 . 6.50 2121 1881 A 100 LYS HB2 A 97 TYR HB2 1.0 . 6.50 2122 1882 A 65 MET HA A 91 ARG HD2 1.0 . 6.50 2123 1883 A 69 GLU H A 91 ARG HD2 1.0 . 6.50 2124 1884 A 65 MET HA A 91 ARG HD3 1.0 . 6.33 2125 1885 A 69 GLU H A 91 ARG HD3 1.0 . 6.50 2126 1886 A 91 ARG HA A 90 GLU HG3 1.0 . 6.50 2127 1887 A 90 GLU HG3 A 87 LYS HD2 1.0 . 6.36 2128 1887 A 87 LYS HD3 A 90 GLU HG3 1.0 . 6.36 2129 1888 A 88 LYS HA A 91 ARG HB2 1.0 . 6.50 2130 1889 A 82 PHE HD% A 84 GLY HA3 1.0 . 6.50 2131 1890 A 85 ILE HB A 69 GLU HA 1.0 . 6.50 2132 1891 A 69 GLU HB3 A 84 GLY HA3 1.0 . 6.50 2133 1892 A 82 PHE HA A 83 VAL HG1% 1.0 . 6.08 2134 1892 A 82 PHE HA A 83 VAL HG2% 1.0 . 6.08 2135 1893 A 82 PHE HA A 83 VAL HB 1.0 . 6.50 2136 1894 A 81 ILE HD1% A 79 LYS HA 1.0 . 6.50 2137 1895 A 78 THR HG2% A 80 MET HB2 1.0 . 6.50 2138 1896 A 78 THR HG2% A 75 ILE H 1.0 . 6.50 2139 1897 A 51 ALA HB% A 77 GLY HA2 1.0 . 6.10 2140 1898 A 72 LYS HA A 76 PRO HA 1.0 . 6.50 2141 1899 A 82 PHE HD% A 71 PRO HG2 1.0 . 6.22 2142 1900 A 68 LEU HA A 80 MET HE% 1.0 . 6.50 2143 1901 A 68 LEU HA A 64 LEU HD1% 1.0 . 6.50 2144 1901 A 68 LEU HA A 64 LEU HD2% 1.0 . 6.50 2145 1902 A 67 TYR HB2 A 66 GLU HG3 1.0 . 6.50 2146 1903 A 64 LEU HB3 A 61 GLU HA 1.0 . 6.50 2147 1904 A 63 THR HB A 57 ILE HD1% 1.0 . 6.50 2148 1905 A 63 THR HB A 57 ILE HG2% 1.0 . 6.50 2149 1906 A 63 THR HG2% A 57 ILE HD1% 1.0 . 6.50 2150 1907 A 63 THR HG2% A 57 ILE HG2% 1.0 . 6.50 2151 1908 A 28 THR HB A 27 LYS HB3 1.0 . 6.50 2152 1909 A 32 LEU HB3 A 20 VAL HG1% 1.0 . 6.34 2153 1910 A 35 LEU HB2 A 32 LEU HB2 1.0 . 6.50 2154 1911 A 32 LEU HB3 A 35 LEU HB2 1.0 . 6.50 2155 1912 A 35 LEU HB2 A 32 LEU HA 1.0 . 6.50 2156 1913 A 32 LEU HD1% A 10 PHE HE1 1.0 . 6.14 2157 1914 A 39 LYS H A 38 ARG HG2 1.0 . 6.50 2158 1915 A 39 LYS HB2 A 40 THR H 1.0 . 6.49 2159 1916 A 18 HIS HB3 A 10 PHE HZ 1.0 . 6.50 2160 1917 A 18 HIS HB2 A 10 PHE HZ 1.0 . 6.50 2161 1918 A 20 VAL HG1% A 10 PHE HE1 1.0 . 6.02 2162 1919 A 11 ILE HG2% A 11 ILE HD1% 1.0 . 5.49 2163 1920 A 88 LYS HA A 91 ARG HB3 1.0 . 6.50 2164 1921 A 91 ARG HA A 91 ARG HD2 1.0 . 6.50 2165 1922 A 82 PHE HB2 A 83 VAL HG1% 1.0 . 6.50 2166 1922 A 82 PHE HB2 A 83 VAL HG2% 1.0 . 6.50 2167 1923 A 82 PHE HB3 A 83 VAL HG1% 1.0 . 6.50 2168 1923 A 82 PHE HB3 A 83 VAL HG2% 1.0 . 6.50 2169 1924 A 24 GLY HA2 A 21 GLU HB3 1.0 . 6.50 2170 1925 A 21 GLU HA A 22 LYS HB3 1.0 . 6.50 2171 1926 A 26 HIS HB2 A 46 TYR HE% 1.0 . 6.50 2172 1927 A 26 HIS HB3 A 46 TYR HE% 1.0 . 6.50 2173 1928 A 26 HIS HB2 A 30 PRO HA 1.0 . 6.50 2174 1929 A 26 HIS HB3 A 30 PRO HA 1.0 . 6.50 2175 1930 A 58 ILE HA A 57 ILE HG2% 1.0 . 6.50 2176 1931 A 58 ILE HG2% A 37 GLY HA2 1.0 . 5.98 2177 1932 A 89 GLU H A 87 LYS HB2 1.0 . 5.59 2178 1933 A 82 PHE HZ A 85 ILE HD1% 1.0 . 4.96 2179 1934 A 82 PHE HE% A 85 ILE HD1% 1.0 . 4.55 2180 1935 A 82 PHE HE% A 85 ILE HG13 1.0 . 4.80 2181 1936 A 85 ILE HG13 A 82 PHE HZ 1.0 . 4.73 2182 1937 A 85 ILE HG12 A 82 PHE HZ 1.0 . 3.88 2183 1938 A 82 PHE HE% A 85 ILE HG12 1.0 . 4.34 2184 1939 A 82 PHE HE% A 85 ILE HA 1.0 . 4.35 2185 1940 A 67 TYR HD% A 75 ILE HG12 1.0 . 4.76 2186 1940 A 67 TYR HD% A 75 ILE HG13 1.0 . 4.76 2187 1941 A 75 ILE HB A 67 TYR HD% 1.0 . 5.36 2188 1942 A 67 TYR HD% A 75 ILE HD1% 1.0 . 4.32 2189 1943 A 75 ILE HA A 76 PRO HD2 1.0 . 3.92 2190 1944 A 67 TYR HA A 74 TYR HB3 1.0 . 4.49 2191 1945 A 67 TYR HA A 74 TYR HB2 1.0 . 4.45 2192 1946 A 82 PHE HE% A 68 LEU HD1% 1.0 . 5.69 2193 1946 A 68 LEU HD2% A 82 PHE HE% 1.0 . 5.69 2194 1947 A 67 TYR HB2 A 64 LEU HA 1.0 . 4.31 2195 1948 A 59 TRP HE3 A 64 LEU HD1% 1.0 . 5.19 2196 1948 A 64 LEU HD2% A 59 TRP HE3 1.0 . 5.19 2197 1949 A 64 LEU HG A 36 PHE HE% 1.0 . 4.36 2198 1950 A 64 LEU HG A 59 TRP HE3 1.0 . 5.93 2199 1951 A 64 LEU HA A 59 TRP HZ3 1.0 . 4.69 2200 1952 A 36 PHE HE% A 61 GLU HG3 1.0 . 5.15 2201 1953 A 36 PHE HD% A 60 GLY HA2 1.0 . 4.66 2202 1954 A 36 PHE HD% A 60 GLY HA3 1.0 . 4.72 2203 1955 A 59 TRP HD1 A 38 ARG HG2 1.0 . 4.58 2204 1956 A 59 TRP HD1 A 38 ARG HB2 1.0 . 4.63 2205 1956 A 59 TRP HD1 A 38 ARG HB3 1.0 . 4.63 2206 1957 A 58 ILE HD1% A 37 GLY HA2 1.0 . 4.27 2207 1958 A 35 LEU HD2% A 59 TRP HZ3 1.0 . 5.41 2208 1959 A 59 TRP H A 35 LEU HD2% 1.0 . 5.46 2209 1960 A 35 LEU HD2% A 59 TRP HD1 1.0 . 4.31 2210 1961 A 35 LEU HD2% A 32 LEU HD2% 1.0 . 4.52 2211 1962 A 32 LEU HD1% A 35 LEU HD1% 1.0 . 4.51 2212 1963 A 35 LEU HD1% A 32 LEU HD2% 1.0 . 4.48 2213 1964 A 35 LEU HB2 A 32 LEU HD2% 1.0 . 4.67 2214 1965 A 32 LEU HD1% A 35 LEU HB2 1.0 . 6.41 2215 1966 A 36 PHE HD% A 35 LEU HD1% 1.0 . 4.92 2216 1967 A 36 PHE HE% A 35 LEU HD1% 1.0 . 4.75 2217 1968 A 17 CYS HB3 A 28 THR HG2% 1.0 . 3.98 2218 1969 A 17 CYS HB3 A 28 THR HB 1.0 . 4.92 2219 1970 A 21 GLU HA A 22 LYS HB2 1.0 . 5.14 2220 1971 A 32 LEU HD1% A 20 VAL HG1% 1.0 . 4.33 2221 1972 A 20 VAL HG1% A 97 TYR HE2 1.0 . 5.31 2222 1973 A 18 HIS HB3 A 32 LEU HD1% 1.0 . 4.69 2223 1974 A 18 HIS HB2 A 32 LEU HD2% 1.0 . 5.67 2224 1975 A 32 LEU HD1% A 18 HIS HB2 1.0 . 4.31 2225 1976 A 17 CYS HA A 29 GLY HA3 1.0 . 4.29 2226 1977 A 14 CYS HB2 A 18 HIS HD2 1.0 . 4.50 2227 1978 A 18 HIS HD2 A 14 CYS HA 1.0 . 5.73 2228 1979 A 82 PHE HZ A 13 LYS HD2 1.0 . 5.00 2229 1979 A 13 LYS HD3 A 82 PHE HZ 1.0 . 5.00 2230 1980 A 82 PHE HE% A 13 LYS HD2 1.0 . 5.16 2231 1980 A 82 PHE HE% A 13 LYS HD3 1.0 . 5.16 2232 1981 A 13 LYS HG2 A 82 PHE HZ 1.0 . 5.29 2233 1982 A 13 LYS HB3 A 82 PHE HZ 1.0 . 4.82 2234 1983 A 95 ILE HG2% A 36 PHE HE% 1.0 . 4.35 2235 1984 A 98 LEU HD2% A 97 TYR HD1 1.0 . 5.04 2236 1985 A 98 LEU HD2% A 97 TYR HD2 1.0 . 5.13 2237 1986 A 98 LEU HD2% A 20 VAL HG1% 1.0 . 4.48 2238 1987 A 32 LEU HD1% A 98 LEU HD2% 1.0 . 4.29 2239 1988 A 32 LEU HD1% A 98 LEU HD1% 1.0 . 4.58 2240 1989 A 20 VAL HG1% A 32 LEU HB2 1.0 . 5.00 2241 1990 A 20 VAL HG1% A 101 ALA HB% 1.0 . 5.32 2242 1991 A 101 ALA HB% A 97 TYR HE2 1.0 . 5.22 2243 1992 A 32 LEU HD1% A 102 THR HG2% 1.0 . 5.34 2244 1993 A 20 VAL HG1% A 102 THR HG2% 1.0 . 4.49 2245 1994 A 99 LYS HD2 A 36 PHE HE% 1.0 . 4.61 2246 1995 A 10 PHE HB3 A 97 TYR HE2 1.0 . 5.63 2247 1996 A 10 PHE HB2 A 97 TYR HE2 1.0 . 5.61 2248 1997 A 93 ASP HA A 1 GLY HA2 1.0 . 4.95 2249 1998 A 10 PHE HA A 14 CYS HB3 1.0 . 4.57 2250 1999 A 97 TYR HD1 A 7 LYS HA 1.0 . 4.93 2251 2000 A 97 TYR HD2 A 7 LYS HA 1.0 . 4.92 2252 2001 A 3 VAL HG1% A 97 TYR HD1 1.0 . 4.23 2253 2002 A 3 VAL HG2% A 97 TYR HD1 1.0 . 4.69 2254 2003 A 97 TYR HD1 A 3 VAL HA 1.0 . 4.83 2255 2004 A 99 LYS H A 36 PHE HE% 1.0 . 5.25 2256 2005 A 17 CYS HB3 A 18 HIS HD2 1.0 . 4.76 2257 2006 A 74 TYR HA A 74 TYR HE% 1.0 . 5.29 2258 2007 A 32 LEU HA A 32 LEU HD2% 1.0 . 3.83 2259 2008 A 32 LEU HD1% A 32 LEU HA 1.0 . 5.69 2260 2009 A 10 PHE HB2 A 97 TYR HD2 1.0 . 5.37 2261 2010 A 97 TYR HA A 97 TYR HD2 1.0 . 5.07 2262 2011 A 17 CYS HB2 A 18 HIS HD2 1.0 . 5.05 2263 2012 A 96 ALA HB% A 97 TYR HD1 1.0 . 5.50 2264 2013 A 93 ASP HA A 92 ALA HA 1.0 . 5.18 2265 2014 A 67 TYR HE% A 67 TYR HA 1.0 . 5.10 2266 2015 A 82 PHE HA A 82 PHE HE% 1.0 . 5.52 2267 2016 A 82 PHE HA A 83 VAL HA 1.0 . 5.21 2268 2017 A 97 TYR HD2 A 10 PHE HB3 1.0 . 5.45 2269 2018 A 36 PHE HD% A 35 LEU H 1.0 . 4.95 2270 2019 A 18 HIS HD2 A 18 HIS HB3 1.0 . 4.04 2271 2020 A 97 TYR HA A 97 TYR HD1 1.0 . 4.14 2272 2021 A 32 LEU HD1% A 32 LEU HB3 1.0 . 4.09 2273 2022 A 32 LEU HD1% A 32 LEU HB2 1.0 . 4.24 2274 2023 A 36 PHE HD% A 35 LEU HB3 1.0 . 4.80 2275 2024 A 10 PHE HB2 A 10 PHE HE2 1.0 . 5.25 2276 2025 A 43 ALA HB% A 46 TYR H 1.0 . 5.06 2277 2026 A 67 TYR HA A 67 TYR HD% 1.0 . 5.62 2278 2027 A 46 TYR HD% A 46 TYR HA 1.0 . 5.16 2279 2028 A 59 TRP HE3 A 59 TRP HA 1.0 . 4.06 2280 2029 A 74 TYR HA A 74 TYR HD% 1.0 . 4.19 2281 2030 A 35 LEU H A 102 THR HB 1.0 . 4.78 2282 2031 A 36 PHE HD% A 36 PHE HA 1.0 . 4.71 2283 2032 A 80 MET HG2 A 80 MET HE% 1.0 . 4.54 2284 2033 A 71 PRO HG3 A 80 MET HE% 1.0 . 4.86 2285 2034 A 82 PHE HB3 A 80 MET HE% 1.0 . 4.58 2286 2035 A 82 PHE HB2 A 80 MET HE% 1.0 . 5.24 2287 2036 A 80 MET HE% A 68 LEU HD1% 1.0 . 4.44 2288 2036 A 68 LEU HD2% A 80 MET HE% 1.0 . 4.44 2289 2037 A 71 PRO HG2 A 80 MET HE% 1.0 . 4.73 2290 2038 A 82 PHE HD% A 80 MET HE% 1.0 . 4.42 2291 2039 A 67 TYR HD% A 59 TRP HH2 1.0 . 5.54 2292 2040 A 18 HIS HD1 A 32 LEU HG 1.0 . 4.62 2293 2041 A 32 LEU HD2% A 18 HIS HE1 1.0 . 5.41 2294 2042 A 32 LEU HD1% A 18 HIS HE1 1.0 . 4.24 2295 2043 A 80 MET HB2 A 80 MET HE% 1.0 . 6.50 2296 2044 A 82 PHE HA A 80 MET HE% 1.0 . 6.17 2297 2045 A 71 PRO HB3 A 80 MET HE% 1.0 . 5.31 2298 2046 A 71 PRO HB2 A 80 MET HE% 1.0 . 5.99 2299 2047 A 81 ILE HA A 80 MET HE% 1.0 . 6.50 2300 2048 A 71 PRO HD3 A 80 MET HE% 1.0 . 5.54 2301 2049 A 71 PRO HD2 A 80 MET HE% 1.0 . 5.57 2302 2050 A 82 PHE HE% A 80 MET HE% 1.0 . 5.98 2303 2051 A 67 TYR HB3 A 59 TRP HH2 1.0 . 5.79 2304 2052 A 67 TYR HB2 A 59 TRP HH2 1.0 . 5.25 2305 2053 A 67 TYR HA A 59 TRP HH2 1.0 . 6.50 2306 2054 A 32 LEU HD1% A 18 HIS HD1 1.0 . 5.30 2307 2055 A 18 HIS HD1 A 32 LEU HD2% 1.0 . 5.06 2308 2056 A 18 HIS HD1 A 32 LEU HB3 1.0 . 5.30 2309 2057 A 17 CYS HB3 A 14 CYS HA 1.0 . 6.50 2310 2058 A 14 CYS HA A 13 LYS HB3 1.0 . 6.50 2311 2059 A 14 CYS HA A 13 LYS HB2 1.0 . 6.50 2312 2060 A 18 HIS HD1 A 32 LEU HB2 1.0 . 5.79 2313 2061 A 18 HIS HA A 18 HIS HD1 1.0 . 5.77 2314 2062 A 19 THR H A 18 HIS HD1 1.0 . 6.50 2315 2063 A 18 HIS H A 14 CYS HA 1.0 . 6.50 2316 2064 A 18 HIS HB3 A 32 LEU HD2% 1.0 . 5.28 2317 2065 A 80 MET HG2 A 82 PHE HB3 1.0 . 5.92 2318 2066 A 80 MET HG2 A 71 PRO HG2 1.0 . 6.50 2319 2067 A 80 MET HG2 A 82 PHE HB2 1.0 . 5.83 2320 2068 A 36 PHE HD% A 99 LYS HG3 1.0 . 6.29 2321 2069 A 67 TYR HD% A 85 ILE HD1% 1.0 . 5.30 2322 2070 A 20 VAL HG2% A 97 TYR HE2 1.0 . 5.66 2323 2071 A 14 CYS HB3 A 10 PHE HE2 1.0 . 6.43 2324 2072 A 11 ILE HD1% A 97 TYR HE2 1.0 . 6.21 2325 2073 A 97 TYR HE2 A 7 LYS HD2 1.0 . 5.84 2326 2073 A 97 TYR HE2 A 7 LYS HD3 1.0 . 5.84 2327 2074 A 13 LYS HB2 A 82 PHE HZ 1.0 . 5.82 2328 2075 A 18 HIS HB3 A 32 LEU HD2% 1.0 . 5.28 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 GLY C A 2 ASP N A 2 ASP CA A 2 ASP C 1.0 -140.1 -62.1 PHI 2 2 A 2 ASP N A 2 ASP CA A 2 ASP C A 3 VAL N 1.0 80.2 175.0 PSI 3 3 A 2 ASP C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -77.8 -37.8 PHI 4 4 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 GLU N 1.0 -65.3 -16.5 PSI 5 5 A 3 VAL C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -81.7 -41.7 PHI 6 6 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 LYS N 1.0 -60.1 -20.1 PSI 7 7 A 4 GLU C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -83.6 -43.6 PHI 8 8 A 5 LYS N A 5 LYS CA A 5 LYS C A 6 GLY N 1.0 -60.1 -20.1 PSI 9 9 A 5 LYS C A 6 GLY N A 6 GLY CA A 6 GLY C 1.0 -86.2 -46.2 PHI 10 10 A 6 GLY N A 6 GLY CA A 6 GLY C A 7 LYS N 1.0 -57.8 -17.8 PSI 11 11 A 6 GLY C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -83.9 -43.9 PHI 12 12 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 LYS N 1.0 -57.5 -17.5 PSI 13 13 A 7 LYS C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -83.0 -43.0 PHI 14 14 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 ILE N 1.0 -57.7 -17.7 PSI 15 15 A 8 LYS C A 9 ILE N A 9 ILE CA A 9 ILE C 1.0 -85.1 -45.1 PHI 16 16 A 9 ILE N A 9 ILE CA A 9 ILE C A 10 PHE N 1.0 -61.2 -21.2 PSI 17 17 A 9 ILE C A 10 PHE N A 10 PHE CA A 10 PHE C 1.0 -84.1 -44.1 PHI 18 18 A 10 PHE N A 10 PHE CA A 10 PHE C A 11 ILE N 1.0 -60.9 -20.9 PSI 19 19 A 12 MET C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -129.1 -67.8 PHI 20 20 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 CYS N 1.0 -59.6 23.9 PSI 21 21 A 14 CYS C A 15 SER N A 15 SER CA A 15 SER C 1.0 -82.0 -42.0 PHI 22 22 A 15 SER N A 15 SER CA A 15 SER C A 16 GLN N 1.0 -52.6 -12.6 PSI 23 23 A 18 HIS C A 19 THR N A 19 THR CA A 19 THR C 1.0 -191.1 -65.9 PHI 24 24 A 19 THR N A 19 THR CA A 19 THR C A 20 VAL N 1.0 136.2 194.4 PSI 25 25 A 21 GLU C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -73.6 -33.6 PHI 26 26 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 GLY N 1.0 111.0 151.0 PSI 27 27 A 22 LYS C A 23 GLY N A 23 GLY CA A 23 GLY C 1.0 60.6 114.0 PHI 28 28 A 23 GLY N A 23 GLY CA A 23 GLY C A 24 GLY N 1.0 -39.2 26.4 PSI 29 29 A 27 LYS C A 28 THR N A 28 THR CA A 28 THR C 1.0 -90.2 -50.2 PHI 30 30 A 28 THR N A 28 THR CA A 28 THR C A 29 GLY N 1.0 -58.8 -16.7 PSI 31 31 A 28 THR C A 29 GLY N A 29 GLY CA A 29 GLY C 1.0 -228.5 -88.5 PHI 32 32 A 29 GLY N A 29 GLY CA A 29 GLY C A 30 PRO N 1.0 40.7 180.7 PSI 33 33 A 30 PRO C A 31 ASN N A 31 ASN CA A 31 ASN C 1.0 -99.0 -53.4 PHI 34 34 A 31 ASN N A 31 ASN CA A 31 ASN C A 32 LEU N 1.0 -40.4 3.9 PSI 35 35 A 32 LEU C A 33 HIS N A 33 HIS CA A 33 HIS C 1.0 -76.3 -36.3 PHI 36 36 A 33 HIS N A 33 HIS CA A 33 HIS C A 34 GLY N 1.0 111.6 151.6 PSI 37 37 A 34 GLY C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -97.0 -39.8 PHI 38 38 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 PHE N 1.0 -44.4 -1.5 PSI 39 39 A 37 GLY C A 38 ARG N A 38 ARG CA A 38 ARG C 1.0 -144.8 -4.8 PHI 40 40 A 38 ARG N A 38 ARG CA A 38 ARG C A 39 LYS N 1.0 74.8 214.8 PSI 41 41 A 38 ARG C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -158.1 -48.3 PHI 42 42 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 THR N 1.0 102.3 182.8 PSI 43 43 A 39 LYS C A 40 THR N A 40 THR CA A 40 THR C 1.0 -141.5 -16.0 PHI 44 44 A 40 THR N A 40 THR CA A 40 THR C A 41 GLY N 1.0 113.9 170.7 PSI 45 45 A 40 THR C A 41 GLY N A 41 GLY CA A 41 GLY C 1.0 61.1 106.2 PHI 46 46 A 41 GLY N A 41 GLY CA A 41 GLY C A 42 GLN N 1.0 -34.3 49.6 PSI 47 47 A 42 GLN C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -114.9 -52.6 PHI 48 48 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 PRO N 1.0 106.9 165.3 PSI 49 49 A 45 GLY C A 46 TYR N A 46 TYR CA A 46 TYR C 1.0 -172.9 -32.9 PHI 50 50 A 46 TYR N A 46 TYR CA A 46 TYR C A 47 SER N 1.0 55.2 195.2 PSI 51 51 A 49 THR N A 49 THR CA A 49 THR C A 50 ALA N 1.0 141.1 181.1 PSI 52 52 A 49 THR C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -79.5 -39.5 PHI 53 53 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 ALA N 1.0 -54.4 -14.4 PSI 54 54 A 50 ALA C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -83.3 -43.3 PHI 55 55 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 ASN N 1.0 -63.3 -23.3 PSI 56 56 A 51 ALA C A 52 ASN N A 52 ASN CA A 52 ASN C 1.0 -83.9 -43.9 PHI 57 57 A 52 ASN N A 52 ASN CA A 52 ASN C A 53 LYS N 1.0 -62.7 -22.7 PSI 58 58 A 52 ASN C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -85.0 -45.0 PHI 59 59 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 ASN N 1.0 -54.2 -0.7 PSI 60 60 A 53 LYS C A 54 ASN N A 54 ASN CA A 54 ASN C 1.0 -139.3 -51.5 PHI 61 61 A 54 ASN N A 54 ASN CA A 54 ASN C A 55 LYS N 1.0 -33.0 15.7 PSI 62 62 A 56 GLY C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -158.8 -61.6 PHI 63 63 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 ILE N 1.0 73.7 213.7 PSI 64 64 A 57 ILE C A 58 ILE N A 58 ILE CA A 58 ILE C 1.0 -136.9 -67.1 PHI 65 65 A 58 ILE N A 58 ILE CA A 58 ILE C A 59 TRP N 1.0 113.2 160.4 PSI 66 66 A 58 ILE C A 59 TRP N A 59 TRP CA A 59 TRP C 1.0 -132.3 -66.1 PHI 67 67 A 59 TRP N A 59 TRP CA A 59 TRP C A 60 GLY N 1.0 82.0 175.1 PSI 68 68 A 59 TRP C A 60 GLY N A 60 GLY CA A 60 GLY C 1.0 -170.7 -30.7 PHI 69 69 A 60 GLY N A 60 GLY CA A 60 GLY C A 61 GLU N 1.0 125.0 212.7 PSI 70 70 A 60 GLY C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -73.5 -33.5 PHI 71 71 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 ASP N 1.0 -66.8 -26.8 PSI 72 72 A 61 GLU C A 62 ASP N A 62 ASP CA A 62 ASP C 1.0 -77.5 -37.5 PHI 73 73 A 62 ASP N A 62 ASP CA A 62 ASP C A 63 THR N 1.0 -60.6 -20.6 PSI 74 74 A 62 ASP C A 63 THR N A 63 THR CA A 63 THR C 1.0 -97.0 -46.2 PHI 75 75 A 63 THR N A 63 THR CA A 63 THR C A 64 LEU N 1.0 -58.3 -18.3 PSI 76 76 A 63 THR C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -85.9 -45.9 PHI 77 77 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 MET N 1.0 -59.1 -19.1 PSI 78 78 A 64 LEU C A 65 MET N A 65 MET CA A 65 MET C 1.0 -86.7 -46.7 PHI 79 79 A 65 MET N A 65 MET CA A 65 MET C A 66 GLU N 1.0 -56.9 -16.9 PSI 80 80 A 65 MET C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -90.1 -50.1 PHI 81 81 A 66 GLU N A 66 GLU CA A 66 GLU C A 67 TYR N 1.0 -59.9 -19.9 PSI 82 82 A 66 GLU C A 67 TYR N A 67 TYR CA A 67 TYR C 1.0 -83.0 -43.0 PHI 83 83 A 67 TYR N A 67 TYR CA A 67 TYR C A 68 LEU N 1.0 -57.7 -17.7 PSI 84 84 A 67 TYR C A 68 LEU N A 68 LEU CA A 68 LEU C 1.0 -103.0 -41.4 PHI 85 85 A 68 LEU N A 68 LEU CA A 68 LEU C A 69 GLU N 1.0 -51.1 22.5 PSI 86 86 A 69 GLU C A 70 ASN N A 70 ASN CA A 70 ASN C 1.0 -197.5 -66.7 PHI 87 87 A 70 ASN N A 70 ASN CA A 70 ASN C A 71 PRO N 1.0 35.0 175.0 PSI 88 88 A 71 PRO C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -89.5 -49.5 PHI 89 89 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 LYS N 1.0 -40.1 -0.1 PSI 90 90 A 72 LYS C A 73 LYS N A 73 LYS CA A 73 LYS C 1.0 -87.6 -47.6 PHI 91 91 A 73 LYS N A 73 LYS CA A 73 LYS C A 74 TYR N 1.0 -62.5 -15.2 PSI 92 92 A 73 LYS C A 74 TYR N A 74 TYR CA A 74 TYR C 1.0 -100.7 -58.4 PHI 93 93 A 74 TYR N A 74 TYR CA A 74 TYR C A 75 ILE N 1.0 -54.6 -14.6 PSI 94 94 A 74 TYR C A 75 ILE N A 75 ILE CA A 75 ILE C 1.0 -172.6 -52.6 PHI 95 95 A 75 ILE N A 75 ILE CA A 75 ILE C A 76 PRO N 1.0 55.1 195.1 PSI 96 96 A 77 GLY C A 78 THR N A 78 THR CA A 78 THR C 1.0 -159.2 -19.2 PHI 97 97 A 78 THR N A 78 THR CA A 78 THR C A 79 LYS N 1.0 90.0 192.2 PSI 98 98 A 78 THR C A 79 LYS N A 79 LYS CA A 79 LYS C 1.0 -152.7 -73.1 PHI 99 99 A 79 LYS N A 79 LYS CA A 79 LYS C A 80 MET N 1.0 -30.1 40.1 PSI 100 100 A 80 MET C A 81 ILE N A 81 ILE CA A 81 ILE C 1.0 -152.0 -63.3 PHI 101 101 A 81 ILE N A 81 ILE CA A 81 ILE C A 82 PHE N 1.0 75.0 185.9 PSI 102 102 A 81 ILE C A 82 PHE N A 82 PHE CA A 82 PHE C 1.0 -172.4 -42.9 PHI 103 103 A 82 PHE N A 82 PHE CA A 82 PHE C A 83 VAL N 1.0 77.7 217.7 PSI 104 104 A 83 VAL C A 84 GLY N A 84 GLY CA A 84 GLY C 1.0 -240.8 -100.8 PHI 105 105 A 84 GLY N A 84 GLY CA A 84 GLY C A 85 ILE N 1.0 115.0 221.7 PSI 106 106 A 84 GLY C A 85 ILE N A 85 ILE CA A 85 ILE C 1.0 -153.7 -56.3 PHI 107 107 A 85 ILE N A 85 ILE CA A 85 ILE C A 86 LYS N 1.0 102.3 185.7 PSI 108 108 A 85 ILE C A 86 LYS N A 86 LYS CA A 86 LYS C 1.0 -87.2 -47.2 PHI 109 109 A 86 LYS N A 86 LYS CA A 86 LYS C A 87 LYS N 1.0 -58.0 -1.5 PSI 110 110 A 87 LYS C A 88 LYS N A 88 LYS CA A 88 LYS C 1.0 -73.8 -33.8 PHI 111 111 A 88 LYS N A 88 LYS CA A 88 LYS C A 89 GLU N 1.0 -73.4 -11.8 PSI 112 112 A 88 LYS C A 89 GLU N A 89 GLU CA A 89 GLU C 1.0 -81.6 -41.6 PHI 113 113 A 89 GLU N A 89 GLU CA A 89 GLU C A 90 GLU N 1.0 -61.7 -11.0 PSI 114 114 A 89 GLU C A 90 GLU N A 90 GLU CA A 90 GLU C 1.0 -83.9 -43.9 PHI 115 115 A 90 GLU N A 90 GLU CA A 90 GLU C A 91 ARG N 1.0 -58.5 -18.3 PSI 116 116 A 90 GLU C A 91 ARG N A 91 ARG CA A 91 ARG C 1.0 -80.4 -40.4 PHI 117 117 A 91 ARG N A 91 ARG CA A 91 ARG C A 92 ALA N 1.0 -66.4 -26.4 PSI 118 118 A 91 ARG C A 92 ALA N A 92 ALA CA A 92 ALA C 1.0 -83.3 -43.3 PHI 119 119 A 92 ALA N A 92 ALA CA A 92 ALA C A 93 ASP N 1.0 -59.4 -19.4 PSI 120 120 A 92 ALA C A 93 ASP N A 93 ASP CA A 93 ASP C 1.0 -88.4 -48.4 PHI 121 121 A 93 ASP N A 93 ASP CA A 93 ASP C A 94 LEU N 1.0 -57.4 -17.4 PSI 122 122 A 93 ASP C A 94 LEU N A 94 LEU CA A 94 LEU C 1.0 -85.9 -45.9 PHI 123 123 A 94 LEU N A 94 LEU CA A 94 LEU C A 95 ILE N 1.0 -61.5 -21.5 PSI 124 124 A 94 LEU C A 95 ILE N A 95 ILE CA A 95 ILE C 1.0 -85.7 -45.7 PHI 125 125 A 95 ILE N A 95 ILE CA A 95 ILE C A 96 ALA N 1.0 -61.5 -21.5 PSI 126 126 A 95 ILE C A 96 ALA N A 96 ALA CA A 96 ALA C 1.0 -81.2 -41.2 PHI 127 127 A 96 ALA N A 96 ALA CA A 96 ALA C A 97 TYR N 1.0 -62.0 -22.0 PSI 128 128 A 96 ALA C A 97 TYR N A 97 TYR CA A 97 TYR C 1.0 -82.5 -42.5 PHI 129 129 A 97 TYR N A 97 TYR CA A 97 TYR C A 98 LEU N 1.0 -65.7 -25.7 PSI 130 130 A 97 TYR C A 98 LEU N A 98 LEU CA A 98 LEU C 1.0 -84.7 -44.7 PHI 131 131 A 98 LEU N A 98 LEU CA A 98 LEU C A 99 LYS N 1.0 -57.3 -17.3 PSI 132 132 A 98 LEU C A 99 LYS N A 99 LYS CA A 99 LYS C 1.0 -84.9 -44.9 PHI 133 133 A 99 LYS N A 99 LYS CA A 99 LYS C A 100 LYS N 1.0 -58.9 -18.9 PSI 134 134 A 99 LYS C A 100 LYS N A 100 LYS CA A 100 LYS C 1.0 -89.3 -44.3 PHI 135 135 A 100 LYS N A 100 LYS CA A 100 LYS C A 101 ALA N 1.0 -92.2 28.6 PSI 136 136 A 100 LYS C A 101 ALA N A 101 ALA CA A 101 ALA C 1.0 -86.6 -46.6 PHI 137 137 A 101 ALA N A 101 ALA CA A 101 ALA C A 102 THR N 1.0 -51.7 -11.2 PSI 138 138 A 101 ALA C A 102 THR N A 102 THR CA A 102 THR C 1.0 -138.3 -80.2 PHI 139 139 A 102 THR N A 102 THR CA A 102 THR C A 103 ASN N 1.0 -32.4 35.8 PSI 140 140 A 102 THR C A 103 ASN N A 103 ASN CA A 103 ASN C 1.0 -188.5 -52.9 PHI 141 141 A 103 ASN N A 103 ASN CA A 103 ASN C A 104 GLU N 1.0 58.0 198.0 PSI stop_ save_