data_nef_c25640_2n3b 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 PDB 1OCD PDB 2N3B 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 17 CYS SG 2 1 HEC CAC 1 14 CYS SG 2 1 HEC CAB 1 18 HIS NE2 2 1 HEC FE 1 80 MET SD 2 1 HEC FE 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 VAL middle . . 12 A 12 GLN middle . . 13 A 13 LYS middle . . 14 A 14 CYS middle -HG . 15 A 15 ALA 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 PHE middle . . 47 A 47 THR middle . . 48 A 48 TYR middle . . 49 A 49 THR middle . . 50 A 50 ASP 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 THR middle . . 59 A 59 TRP middle . . 60 A 60 LYS middle . . 61 A 61 GLU middle . . 62 A 62 GLU 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 ALA 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 THR middle . . 90 A 90 GLU middle . . 91 A 91 ARG middle . . 92 A 92 GLU 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 HEC . . . 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 H1 H 1 5.865 0.01 A 1 GLY HAx H 1 3.233 0.01 A 1 GLY HAy H 1 3.733 0.01 A 1 GLY C C 13 183.054 0.01 A 1 GLY CA C 13 43.415 0.01 A 1 GLY N N 15 108.338 0.01 A 2 ASP H H 1 9.43 0.01 A 2 ASP HA H 1 4.746 0.01 A 2 ASP HBx H 1 2.351 0.01 A 2 ASP HBy H 1 2.675 0.01 A 2 ASP C C 13 176.061 0.01 A 2 ASP CA C 13 53.144 0.01 A 2 ASP CB C 13 42.761 0.01 A 2 ASP N N 15 125.327 0.01 A 3 VAL H H 1 8.549 0.01 A 3 VAL HA H 1 3.447 0.01 A 3 VAL HB H 1 2.11 0.01 A 3 VAL HG1% H 1 0.986 0.01 A 3 VAL HG2% H 1 0.986 0.01 A 3 VAL C C 13 177.705 0.01 A 3 VAL CA C 13 66.46 0.01 A 3 VAL CB C 13 32.669 0.01 A 3 VAL CG1 C 13 22.422 0.01 A 3 VAL CG2 C 13 22.422 0.01 A 3 VAL N N 15 124.442 0.01 A 4 GLU H H 1 8.068 0.01 A 4 GLU HA H 1 4.008 0.01 A 4 GLU HB2 H 1 2.072 0.01 A 4 GLU HB3 H 1 2.072 0.01 A 4 GLU HGy H 1 2.297 0.01 A 4 GLU HGx H 1 2.268 0.01 A 4 GLU C C 13 180.435 0.01 A 4 GLU CA C 13 59.058 0.01 A 4 GLU CB C 13 29.7 0.01 A 4 GLU CG C 13 36.472 0.01 A 4 GLU N N 15 120.767 0.01 A 5 LYS H H 1 8.022 0.01 A 5 LYS HA H 1 3.856 0.01 A 5 LYS HB2 H 1 1.607 0.01 A 5 LYS HB3 H 1 1.607 0.01 A 5 LYS HD2 H 1 1.579 0.01 A 5 LYS HD3 H 1 1.579 0.01 A 5 LYS HE2 H 1 2.857 0.01 A 5 LYS HE3 H 1 2.857 0.01 A 5 LYS HG2 H 1 1.305 0.01 A 5 LYS HG3 H 1 1.305 0.01 A 5 LYS C C 13 180.659 0.01 A 5 LYS CA C 13 59.831 0.01 A 5 LYS CB C 13 33.106 0.01 A 5 LYS CD C 13 29.272 0.01 A 5 LYS CE C 13 42.573 0.01 A 5 LYS CG C 13 26.338 0.01 A 5 LYS N N 15 121.422 0.01 A 6 GLY H H 1 8.587 0.01 A 6 GLY HAx H 1 3.198 0.01 A 6 GLY HAy H 1 3.907 0.01 A 6 GLY C C 13 174.426 0.01 A 6 GLY CA C 13 46.997 0.01 A 6 GLY N N 15 107.678 0.01 A 7 LYS H H 1 7.978 0.01 A 7 LYS HA H 1 2.232 0.01 A 7 LYS HB2 H 1 1.695 0.01 A 7 LYS HB3 H 1 1.695 0.01 A 7 LYS HD2 H 1 1.383 0.01 A 7 LYS HD3 H 1 1.383 0.01 A 7 LYS HE2 H 1 2.938 0.01 A 7 LYS HE3 H 1 2.938 0.01 A 7 LYS HG2 H 1 0.896 0.01 A 7 LYS HG3 H 1 0.896 0.01 A 7 LYS C C 13 177.774 0.01 A 7 LYS CA C 13 59.47 0.01 A 7 LYS CB C 13 32.288 0.01 A 7 LYS CD C 13 30.046 0.01 A 7 LYS CE C 13 42.443 0.01 A 7 LYS CG C 13 24.755 0.01 A 7 LYS N N 15 124.439 0.01 A 8 LYS H H 1 6.903 0.01 A 8 LYS HA H 1 3.85 0.01 A 8 LYS HB2 H 1 1.814 0.01 A 8 LYS HB3 H 1 1.814 0.01 A 8 LYS HD2 H 1 1.59 0.01 A 8 LYS HD3 H 1 1.59 0.01 A 8 LYS HE2 H 1 2.887 0.01 A 8 LYS HE3 H 1 2.887 0.01 A 8 LYS HG2 H 1 1.31 0.01 A 8 LYS HG3 H 1 1.31 0.01 A 8 LYS C C 13 179.607 0.01 A 8 LYS CA C 13 59.706 0.01 A 8 LYS CB C 13 32.498 0.01 A 8 LYS CD C 13 29.65 0.01 A 8 LYS CE C 13 42.26 0.01 A 8 LYS CG C 13 25.657 0.01 A 8 LYS N N 15 117.447 0.01 A 9 ILE H H 1 7.492 0.01 A 9 ILE HA H 1 3.48 0.01 A 9 ILE HB H 1 1.593 0.01 A 9 ILE HD1% H 1 0.707 0.01 A 9 ILE HG12 H 1 0.88 0.01 A 9 ILE HG2% H 1 0.358 0.01 A 9 ILE C C 13 177.247 0.01 A 9 ILE CA C 13 64.988 0.01 A 9 ILE CB C 13 37.682 0.01 A 9 ILE CD1 C 13 14.634 0.01 A 9 ILE CG1 C 13 28.384 0.01 A 9 ILE CG2 C 13 18.477 0.01 A 9 ILE N N 15 119.415 0.01 A 10 PHE H H 1 8.371 0.01 A 10 PHE HA H 1 3.416 0.01 A 10 PHE HBy H 1 3.103 0.01 A 10 PHE HBx H 1 2.696 0.01 A 10 PHE HD1 H 1 7.486 0.01 A 10 PHE HD2 H 1 7.506 0.01 A 10 PHE HE1 H 1 6.773 0.01 A 10 PHE HE2 H 1 6.868 0.01 A 10 PHE C C 13 178.987 0.01 A 10 PHE CA C 13 63.111 0.01 A 10 PHE CB C 13 39.903 0.01 A 10 PHE N N 15 121.305 0.01 A 11 VAL H H 1 8.84 0.01 A 11 VAL HA H 1 3.818 0.01 A 11 VAL HB H 1 2.206 0.01 A 11 VAL HG1% H 1 1.073 0.01 A 11 VAL HG2% H 1 1.262 0.01 A 11 VAL C C 13 177.919 0.01 A 11 VAL CA C 13 66.838 0.01 A 11 VAL CB C 13 32.371 0.01 A 11 VAL CG1 C 13 21.722 0.01 A 11 VAL CG2 C 13 23.281 0.01 A 11 VAL N N 15 121.877 0.01 A 12 GLN H H 1 7.801 0.01 A 12 GLN HA H 1 4.107 0.01 A 12 GLN HB2 H 1 2.027 0.01 A 12 GLN HB3 H 1 2.027 0.01 A 12 GLN HE2x H 1 6.796 0.01 A 12 GLN HE2y H 1 7.378 0.01 A 12 GLN HGx H 1 2.256 0.01 A 12 GLN HGy H 1 2.502 0.01 A 12 GLN C C 13 178.518 0.01 A 12 GLN CA C 13 58.951 0.01 A 12 GLN CB C 13 29.917 0.01 A 12 GLN CG C 13 34.474 0.01 A 12 GLN N N 15 117.713 0.01 A 12 GLN NE2 N 15 111.434 0.01 A 13 LYS H H 1 8.435 0.01 A 13 LYS HA H 1 4.286 0.01 A 13 LYS HB2 H 1 1.151 0.01 A 13 LYS HB3 H 1 1.151 0.01 A 13 LYS HD2 H 1 1.081 0.01 A 13 LYS HD3 H 1 1.081 0.01 A 13 LYS HE2 H 1 2.672 0.01 A 13 LYS HE3 H 1 2.672 0.01 A 13 LYS HG2 H 1 0.798 0.01 A 13 LYS HG3 H 1 0.798 0.01 A 13 LYS C C 13 176.952 0.01 A 13 LYS CA C 13 56.95 0.01 A 13 LYS CB C 13 35.089 0.01 A 13 LYS CD C 13 26.022 0.01 A 13 LYS CE C 13 42.543 0.01 A 13 LYS CG C 13 26.852 0.01 A 13 LYS N N 15 112.84 0.01 A 14 CYS H H 1 8.059 0.01 A 14 CYS HA H 1 4.42 0.01 A 14 CYS HBy H 1 2.742 0.01 A 14 CYS HBx H 1 1.581 0.01 A 14 CYS C C 13 178.611 0.01 A 14 CYS CA C 13 55.043 0.01 A 14 CYS CB C 13 37.82 0.01 A 14 CYS N N 15 115.465 0.01 A 15 ALA H H 1 8.081 0.01 A 15 ALA HA H 1 5.926 0.01 A 15 ALA HB% H 1 2.156 0.01 A 15 ALA C C 13 178.892 0.01 A 15 ALA CA C 13 55.549 0.01 A 15 ALA CB C 13 20.741 0.01 A 15 ALA N N 15 123.801 0.01 A 16 GLN H H 1 9.882 0.01 A 16 GLN HA H 1 4.677 0.01 A 16 GLN HBy H 1 2.637 0.01 A 16 GLN HBx H 1 2.407 0.01 A 16 GLN HE21 H 1 7.026 0.01 A 16 GLN HE22 H 1 7.603 0.01 A 16 GLN HGx H 1 2.798 0.01 A 16 GLN HGy H 1 2.966 0.01 A 16 GLN C C 13 178.004 0.01 A 16 GLN CA C 13 59.499 0.01 A 16 GLN CB C 13 29.153 0.01 A 16 GLN CG C 13 34.292 0.01 A 16 GLN N N 15 117.766 0.01 A 16 GLN NE2 N 15 111.825 0.01 A 17 CYS H H 1 9.567 0.01 A 17 CYS HA H 1 5.968 0.01 A 17 CYS HBy H 1 7.068 0.01 A 17 CYS HBx H 1 2.048 0.01 A 17 CYS C C 13 175.926 0.01 A 17 CYS CA C 13 58.348 0.01 A 17 CYS CB C 13 36.453 0.01 A 17 CYS N N 15 114.749 0.01 A 18 HSD H% H 1 10.857 0.01 A 18 HSD C% C 13 177.337 0.01 A 18 HSD CA C 13 77.285 0.01 A 18 HSD N N 15 119.043 0.01 A 19 THR H H 1 10.573 0.01 A 19 THR HA H 1 6.203 0.01 A 19 THR HB H 1 5.52 0.01 A 19 THR HG2% H 1 2.183 0.01 A 19 THR C C 13 176.45 0.01 A 19 THR CA C 13 61.172 0.01 A 19 THR CB C 13 73.084 0.01 A 19 THR CG2 C 13 23.138 0.01 A 19 THR N N 15 114.199 0.01 A 20 VAL H H 1 8.85 0.01 A 20 VAL HA H 1 4.974 0.01 A 20 VAL HB H 1 2.18 0.01 A 20 VAL HG1% H 1 0.952 0.01 A 20 VAL HG2% H 1 1.018 0.01 A 20 VAL CA C 13 62.595 0.01 A 20 VAL CB C 13 33.146 0.01 A 20 VAL CG1 C 13 23.77 0.01 A 20 VAL CG2 C 13 19.281 0.01 A 20 VAL N N 15 112.153 0.01 A 21 GLU H H 1 9.468 0.01 A 21 GLU HA H 1 4.623 0.01 A 21 GLU HB2 H 1 2.192 0.01 A 21 GLU HB3 H 1 2.192 0.01 A 21 GLU HG2 H 1 2.496 0.01 A 21 GLU HG3 H 1 2.496 0.01 A 21 GLU C C 13 178.385 0.01 A 21 GLU CA C 13 57.443 0.01 A 21 GLU CB C 13 30.716 0.01 A 21 GLU CG C 13 36.808 0.01 A 22 LYS H H 1 9.046 0.01 A 22 LYS HA H 1 3.362 0.01 A 22 LYS HB2 H 1 1.497 0.01 A 22 LYS HB3 H 1 1.497 0.01 A 22 LYS HD2 H 1 1.016 0.01 A 22 LYS HD3 H 1 1.016 0.01 A 22 LYS HE2 H 1 2.892 0.01 A 22 LYS HE3 H 1 2.892 0.01 A 22 LYS HG2 H 1 0.723 0.01 A 22 LYS HG3 H 1 0.723 0.01 A 22 LYS C C 13 178.455 0.01 A 22 LYS CA C 13 58.772 0.01 A 22 LYS CB C 13 31.922 0.01 A 22 LYS CD C 13 26.405 0.01 A 22 LYS CE C 13 42.221 0.01 A 22 LYS CG C 13 27.115 0.01 A 22 LYS N N 15 127.291 0.01 A 23 GLY H H 1 9.382 0.01 A 23 GLY HAx H 1 3.702 0.01 A 23 GLY HAy H 1 4.024 0.01 A 23 GLY C C 13 175.3 0.01 A 23 GLY CA C 13 45.495 0.01 A 23 GLY N N 15 118.212 0.01 A 24 GLY H H 1 8.248 0.01 A 24 GLY HAx H 1 3.678 0.01 A 24 GLY HAy H 1 4.193 0.01 A 24 GLY C C 13 173.098 0.01 A 24 GLY CA C 13 45.296 0.01 A 24 GLY N N 15 108.27 0.01 A 25 LYS H H 1 8.771 0.01 A 25 LYS HA H 1 4.226 0.01 A 25 LYS HB2 H 1 1.979 0.01 A 25 LYS HB3 H 1 1.979 0.01 A 25 LYS HD2 H 1 1.831 0.01 A 25 LYS HD3 H 1 1.831 0.01 A 25 LYS HE2 H 1 3.074 0.01 A 25 LYS HE3 H 1 3.074 0.01 A 25 LYS HG2 H 1 1.651 0.01 A 25 LYS HG3 H 1 1.651 0.01 A 25 LYS C C 13 179.741 0.01 A 25 LYS CA C 13 56.405 0.01 A 25 LYS CB C 13 34.069 0.01 A 25 LYS CD C 13 29.321 0.01 A 25 LYS CE C 13 42.527 0.01 A 25 LYS CG C 13 25.015 0.01 A 25 LYS N N 15 119.305 0.01 A 26 HIS H H 1 8.819 0.01 A 26 HIS HA H 1 5.015 0.01 A 26 HIS HBx H 1 2.745 0.01 A 26 HIS HBy H 1 3.05 0.01 A 26 HIS HD2 H 1 8.951 0.01 A 26 HIS C C 13 176.472 0.01 A 26 HIS CA C 13 56.321 0.01 A 26 HIS CB C 13 31.291 0.01 A 26 HIS N N 15 122.542 0.01 A 27 LYS H H 1 8.14 0.01 A 27 LYS HA H 1 4.64 0.01 A 27 LYS HE2 H 1 3.477 0.01 A 27 LYS HE3 H 1 3.477 0.01 A 27 LYS CA C 13 55.438 0.01 A 27 LYS N N 15 126.438 0.01 A 28 THR H H 1 7.895 0.01 A 28 THR HA H 1 3.037 0.01 A 28 THR HB H 1 3.026 0.01 A 28 THR HG2% H 1 -0.068 0.01 A 28 THR C C 13 172.334 0.01 A 28 THR CA C 13 66.405 0.01 A 28 THR CB C 13 69.165 0.01 A 28 THR CG2 C 13 21.627 0.01 A 29 GLY H H 1 6.934 0.01 A 29 GLY HA2 H 1 2.101 0.01 A 29 GLY HA3 H 1 2.101 0.01 A 29 GLY CA C 13 37.77 0.01 A 29 GLY N N 15 100.174 0.01 A 30 PRO HA H 1 3.711 0.01 A 30 PRO HB3 H 1 1.329 0.01 A 30 PRO C C 13 178.203 0.01 A 30 PRO CA C 13 60.233 0.01 A 30 PRO CB C 13 29.826 0.01 A 31 ASN H H 1 11.549 0.01 A 31 ASN HA H 1 5.911 0.01 A 31 ASN HBy H 1 2.855 0.01 A 31 ASN HBx H 1 2.508 0.01 A 31 ASN C C 13 177.382 0.01 A 31 ASN CA C 13 56.396 0.01 A 31 ASN CB C 13 41.7 0.01 A 31 ASN N N 15 127.641 0.01 A 32 LEU H H 1 9.534 0.01 A 32 LEU HA H 1 4.966 0.01 A 32 LEU HB2 H 1 2.564 0.01 A 32 LEU HB3 H 1 2.564 0.01 A 32 LEU HD1% H 1 2.069 0.01 A 32 LEU HD2% H 1 1.574 0.01 A 32 LEU HG H 1 2.335 0.01 A 32 LEU C C 13 175.707 0.01 A 32 LEU CA C 13 54.644 0.01 A 32 LEU CB C 13 44.788 0.01 A 32 LEU CD2 C 13 27.907 0.01 A 32 LEU N N 15 122.593 0.01 A 33 HIS H H 1 8.07 0.01 A 33 HIS HD1 H 1 7.527 0.01 A 33 HIS C C 13 178.262 0.01 A 33 HIS CA C 13 61.802 0.01 A 33 HIS N N 15 120.713 0.01 A 34 GLY H H 1 8.969 0.01 A 34 GLY HAx H 1 3.729 0.01 A 34 GLY HAy H 1 3.96 0.01 A 34 GLY C C 13 174.58 0.01 A 34 GLY CA C 13 46.358 0.01 A 34 GLY N N 15 115.406 0.01 A 35 LEU H H 1 7.114 0.01 A 35 LEU HA H 1 3.593 0.01 A 35 LEU HB2 H 1 2.167 0.01 A 35 LEU HB3 H 1 2.167 0.01 A 35 LEU HD1% H 1 0.433 0.01 A 35 LEU HD2% H 1 0.106 0.01 A 35 LEU HG H 1 1.433 0.01 A 35 LEU C C 13 177.238 0.01 A 35 LEU CA C 13 58.403 0.01 A 35 LEU CB C 13 44.635 0.01 A 35 LEU CD1 C 13 25.412 0.01 A 35 LEU CD2 C 13 27.071 0.01 A 35 LEU CG C 13 19.596 0.01 A 35 LEU N N 15 117.613 0.01 A 36 PHE H H 1 8.604 0.01 A 36 PHE HA H 1 3.751 0.01 A 36 PHE HBy H 1 3.161 0.01 A 36 PHE HBx H 1 2.743 0.01 A 36 PHE HD1 H 1 6.848 0.01 A 36 PHE HD2 H 1 6.632 0.01 A 36 PHE HE1 H 1 6.764 0.01 A 36 PHE C C 13 177.954 0.01 A 36 PHE CA C 13 60.461 0.01 A 36 PHE CB C 13 37.505 0.01 A 36 PHE CD1 C 13 131.90 0.01 A 36 PHE CD2 C 13 130.50 0.01 A 36 PHE N N 15 112.666 0.01 A 37 GLY H H 1 9.282 0.01 A 37 GLY HAx H 1 3.436 0.01 A 37 GLY HAy H 1 4.359 0.01 A 37 GLY C C 13 173.567 0.01 A 37 GLY CA C 13 45.263 0.01 A 37 GLY N N 15 111.885 0.01 A 38 ARG H H 1 8.166 0.01 A 38 ARG HA H 1 4.618 0.01 A 38 ARG HB2 H 1 2.079 0.01 A 38 ARG HB3 H 1 2.079 0.01 A 38 ARG HD2 H 1 3.161 0.01 A 38 ARG HD3 H 1 3.161 0.01 A 38 ARG HG2 H 1 1.918 0.01 A 38 ARG HG3 H 1 1.918 0.01 A 38 ARG C C 13 175.127 0.01 A 38 ARG CA C 13 55.524 0.01 A 38 ARG CB C 13 33.658 0.01 A 38 ARG CD C 13 45.331 0.01 A 38 ARG CG C 13 27.218 0.01 A 38 ARG N N 15 124.259 0.01 A 39 LYS H H 1 8.066 0.01 A 39 LYS HA H 1 4.875 0.01 A 39 LYS HB2 H 1 1.562 0.01 A 39 LYS HB3 H 1 1.562 0.01 A 39 LYS HD2 H 1 1.401 0.01 A 39 LYS HD3 H 1 1.401 0.01 A 39 LYS HE2 H 1 2.827 0.01 A 39 LYS HE3 H 1 2.827 0.01 A 39 LYS HG2 H 1 1.355 0.01 A 39 LYS HG3 H 1 1.355 0.01 A 39 LYS C C 13 177.594 0.01 A 39 LYS CA C 13 55.876 0.01 A 39 LYS CB C 13 33.873 0.01 A 39 LYS CD C 13 29.372 0.01 A 39 LYS CE C 13 42.252 0.01 A 39 LYS CG C 13 25.967 0.01 A 39 LYS N N 15 121.624 0.01 A 40 THR H H 1 7.543 0.01 A 40 THR HA H 1 4.139 0.01 A 40 THR HB H 1 4.446 0.01 A 40 THR HG2% H 1 0.809 0.01 A 40 THR C C 13 176.908 0.01 A 40 THR CA C 13 61.858 0.01 A 40 THR CB C 13 69.194 0.01 A 40 THR CG2 C 13 23.32 0.01 A 40 THR N N 15 109.499 0.01 A 41 GLY H H 1 9.139 0.01 A 41 GLY HAx H 1 1.202 0.01 A 41 GLY HAy H 1 3.045 0.01 A 41 GLY C C 13 174.93 0.01 A 41 GLY CA C 13 46.206 0.01 A 41 GLY N N 15 109.984 0.01 A 42 GLN H H 1 7.683 0.01 A 42 GLN HA H 1 4.401 0.01 A 42 GLN HB2 H 1 2.088 0.01 A 42 GLN HB3 H 1 2.088 0.01 A 42 GLN HE2x H 1 6.826 0.01 A 42 GLN HE2y H 1 7.412 0.01 A 42 GLN HG2 H 1 2.078 0.01 A 42 GLN HG3 H 1 2.078 0.01 A 42 GLN C C 13 175.969 0.01 A 42 GLN CA C 13 54.94 0.01 A 42 GLN CB C 13 30.233 0.01 A 42 GLN CG C 13 34.064 0.01 A 42 GLN N N 15 113.478 0.01 A 42 GLN NE2 N 15 113.962 0.01 A 43 ALA H H 1 8.037 0.01 A 43 ALA HA H 1 4.756 0.01 A 43 ALA HB% H 1 1.416 0.01 A 43 ALA CA C 13 51.91 0.01 A 43 ALA CB C 13 19.032 0.01 A 43 ALA N N 15 125.988 0.01 A 44 PRO HD2 H 1 3.832 0.01 A 44 PRO HD3 H 1 3.832 0.01 A 44 PRO HG2 H 1 2.059 0.01 A 44 PRO HG3 H 1 2.059 0.01 A 45 GLY H H 1 8.898 0.01 A 45 GLY HAx H 1 3.669 0.01 A 45 GLY HAy H 1 4.245 0.01 A 45 GLY C C 13 172.874 0.01 A 45 GLY CA C 13 46.173 0.01 A 46 PHE H H 1 6.831 0.01 A 46 PHE HA H 1 3.64 0.01 A 46 PHE HBy H 1 1.677 0.01 A 46 PHE HBx H 1 0.616 0.01 A 46 PHE HD1 H 1 7.235 0.01 A 46 PHE HD2 H 1 7.235 0.01 A 46 PHE C C 13 173.43 0.01 A 46 PHE CA C 13 56.857 0.01 A 46 PHE CB C 13 40.298 0.01 A 46 PHE N N 15 120.026 0.01 A 47 THR H H 1 6.703 0.01 A 47 THR HA H 1 3.745 0.01 A 47 THR HB H 1 3.144 0.01 A 47 THR HG2% H 1 0.678 0.01 A 47 THR C C 13 171.71 0.01 A 47 THR CA C 13 61.398 0.01 A 47 THR CB C 13 67.744 0.01 A 47 THR CG2 C 13 21.687 0.01 A 47 THR N N 15 124.028 0.01 A 48 TYR H H 1 7.958 0.01 A 48 TYR HA H 1 4.079 0.01 A 48 TYR HBy H 1 3.107 0.01 A 48 TYR HBx H 1 2.343 0.01 A 48 TYR HD2 H 1 6.575 0.01 A 48 TYR C C 13 178.877 0.01 A 48 TYR CA C 13 57.975 0.01 A 48 TYR CB C 13 41.924 0.01 A 48 TYR N N 15 127.004 0.01 A 49 THR H H 1 9.604 0.01 A 49 THR HA H 1 4.134 0.01 A 49 THR HB H 1 4.648 0.01 A 49 THR HG2% H 1 1.503 0.01 A 49 THR C C 13 176.431 0.01 A 49 THR CA C 13 62.52 0.01 A 49 THR CB C 13 71.711 0.01 A 49 THR CG2 C 13 22.829 0.01 A 49 THR N N 15 112.939 0.01 A 50 ASP H H 1 8.83 0.01 A 50 ASP HA H 1 4.22 0.01 A 50 ASP HB2 H 1 2.585 0.01 A 50 ASP HB3 H 1 2.585 0.01 A 50 ASP C C 13 178.458 0.01 A 50 ASP CA C 13 57.728 0.01 A 50 ASP CB C 13 39.986 0.01 A 50 ASP N N 15 123.168 0.01 A 51 ALA H H 1 8.043 0.01 A 51 ALA HA H 1 4.155 0.01 A 51 ALA HB% H 1 1.606 0.01 A 51 ALA C C 13 180.119 0.01 A 51 ALA CA C 13 55.626 0.01 A 51 ALA CB C 13 19.406 0.01 A 51 ALA N N 15 120.162 0.01 A 52 ASN H H 1 8.548 0.01 A 52 ASN HA H 1 4.661 0.01 A 52 ASN HB2 H 1 3.135 0.01 A 52 ASN HB3 H 1 3.135 0.01 A 52 ASN HD21 H 1 6.911 0.01 A 52 ASN HD22 H 1 7.586 0.01 A 52 ASN C C 13 179.386 0.01 A 52 ASN CA C 13 55.377 0.01 A 52 ASN CB C 13 40.692 0.01 A 52 ASN N N 15 117.588 0.01 A 53 LYS H H 1 8.617 0.01 A 53 LYS HA H 1 3.723 0.01 A 53 LYS HB2 H 1 1.836 0.01 A 53 LYS HB3 H 1 1.836 0.01 A 53 LYS HD2 H 1 1.725 0.01 A 53 LYS HD3 H 1 1.725 0.01 A 53 LYS HE2 H 1 2.803 0.01 A 53 LYS HE3 H 1 2.803 0.01 A 53 LYS HG2 H 1 1.386 0.01 A 53 LYS HG3 H 1 1.386 0.01 A 53 LYS C C 13 177.884 0.01 A 53 LYS CA C 13 59.869 0.01 A 53 LYS CB C 13 32.737 0.01 A 53 LYS CD C 13 29.264 0.01 A 53 LYS CE C 13 42.481 0.01 A 53 LYS CG C 13 24.837 0.01 A 53 LYS N N 15 121.697 0.01 A 54 ASN H H 1 8.155 0.01 A 54 ASN HA H 1 4.715 0.01 A 54 ASN HBy H 1 2.917 0.01 A 54 ASN HBx H 1 2.714 0.01 A 54 ASN HD2y H 1 7.44 0.01 A 54 ASN HD2x H 1 7.003 0.01 A 54 ASN C C 13 176.487 0.01 A 54 ASN CA C 13 53.587 0.01 A 54 ASN CB C 13 39.383 0.01 A 54 ASN N N 15 113.128 0.01 A 54 ASN ND2 N 15 112.724 0.01 A 55 LYS H H 1 6.992 0.01 A 55 LYS HA H 1 4.247 0.01 A 55 LYS HB2 H 1 2.172 0.01 A 55 LYS HB3 H 1 2.172 0.01 A 55 LYS HE2 H 1 3.011 0.01 A 55 LYS HE3 H 1 3.011 0.01 A 55 LYS HG2 H 1 1.332 0.01 A 55 LYS HG3 H 1 1.332 0.01 A 55 LYS C C 13 178.095 0.01 A 55 LYS CA C 13 58.631 0.01 A 55 LYS CB C 13 30.548 0.01 A 55 LYS CD C 13 31.047 0.01 A 55 LYS CE C 13 42.209 0.01 A 55 LYS CG C 13 24.509 0.01 A 55 LYS N N 15 121.902 0.01 A 56 GLY H H 1 7.814 0.01 A 56 GLY HA2 H 1 3.701 0.01 A 56 GLY HA3 H 1 3.796 0.01 A 56 GLY C C 13 174.871 0.01 A 56 GLY CA C 13 47.054 0.01 A 56 GLY N N 15 103.464 0.01 A 57 ILE H H 1 6.52 0.01 A 57 ILE HA H 1 4.463 0.01 A 57 ILE HB H 1 1.866 0.01 A 57 ILE HD1% H 1 -0.387 0.01 A 57 ILE HG12 H 1 1.147 0.01 A 57 ILE HG2% H 1 0.788 0.01 A 57 ILE C C 13 174.39 0.01 A 57 ILE CA C 13 58.054 0.01 A 57 ILE CB C 13 41.305 0.01 A 57 ILE CD1 C 13 14.536 0.01 A 57 ILE CG1 C 13 26.675 0.01 A 57 ILE CG2 C 13 22.561 0.01 A 57 ILE N N 15 111.554 0.01 A 58 THR H H 1 8.234 0.01 A 58 THR HA H 1 4.123 0.01 A 58 THR HB H 1 3.737 0.01 A 58 THR HG2% H 1 0.902 0.01 A 58 THR C C 13 175.074 0.01 A 58 THR CA C 13 62.197 0.01 A 58 THR CB C 13 70.074 0.01 A 58 THR CG2 C 13 21.644 0.01 A 58 THR N N 15 116.798 0.01 A 59 TRP H H 1 8.719 0.01 A 59 TRP HA H 1 4.654 0.01 A 59 TRP HBy H 1 3.575 0.01 A 59 TRP HBx H 1 2.098 0.01 A 59 TRP HD1 H 1 7.549 0.01 A 59 TRP HE1 H 1 9.532 0.01 A 59 TRP C C 13 174.014 0.01 A 59 TRP CA C 13 57.586 0.01 A 59 TRP CB C 13 30.013 0.01 A 59 TRP N N 15 129.587 0.01 A 59 TRP NE1 N 15 125.562 0.01 A 60 LYS H H 1 7.963 0.01 A 60 LYS HA H 1 4.267 0.01 A 60 LYS HB2 H 1 2.293 0.01 A 60 LYS HB3 H 1 2.293 0.01 A 60 LYS HDx H 1 1.415 0.01 A 60 LYS HDy H 1 1.986 0.01 A 60 LYS HE2 H 1 2.921 0.01 A 60 LYS HE3 H 1 2.921 0.01 A 60 LYS HG2 H 1 1.612 0.01 A 60 LYS HG3 H 1 1.612 0.01 A 60 LYS C C 13 174.984 0.01 A 60 LYS CA C 13 55.062 0.01 A 60 LYS CB C 13 34.414 0.01 A 60 LYS CD C 13 25.392 0.01 A 60 LYS CE C 13 42.636 0.01 A 60 LYS CG C 13 22.78 0.01 A 60 LYS N N 15 120.541 0.01 A 61 GLU H H 1 10.495 0.01 A 61 GLU HA H 1 3.605 0.01 A 61 GLU HB2 H 1 2.076 0.01 A 61 GLU HB3 H 1 2.076 0.01 A 61 GLU HG2 H 1 2.391 0.01 A 61 GLU HG3 H 1 2.391 0.01 A 61 GLU C C 13 178.295 0.01 A 61 GLU CA C 13 63.716 0.01 A 61 GLU CB C 13 28.912 0.01 A 61 GLU CG C 13 38.075 0.01 A 61 GLU N N 15 123.394 0.01 A 62 GLU H H 1 9.539 0.01 A 62 GLU HA H 1 3.923 0.01 A 62 GLU HB2 H 1 2.012 0.01 A 62 GLU HB3 H 1 2.012 0.01 A 62 GLU HG2 H 1 2.354 0.01 A 62 GLU HG3 H 1 2.354 0.01 A 62 GLU C C 13 179.891 0.01 A 62 GLU CA C 13 61.03 0.01 A 62 GLU CB C 13 29.784 0.01 A 62 GLU CG C 13 37.137 0.01 A 62 GLU N N 15 114.897 0.01 A 63 THR H H 1 7.02 0.01 A 63 THR HA H 1 4.334 0.01 A 63 THR HB H 1 4.517 0.01 A 63 THR HG2% H 1 1.349 0.01 A 63 THR C C 13 177.676 0.01 A 63 THR CA C 13 63.27 0.01 A 63 THR CB C 13 69.394 0.01 A 63 THR CG2 C 13 24.724 0.01 A 63 THR N N 15 108.917 0.01 A 64 LEU H H 1 8.486 0.01 A 64 LEU HA H 1 3.795 0.01 A 64 LEU HB2 H 1 1.512 0.01 A 64 LEU HB3 H 1 1.512 0.01 A 64 LEU HD1% H 1 -0.279 0.01 A 64 LEU HD2% H 1 -0.609 0.01 A 64 LEU HG H 1 0.46 0.01 A 64 LEU C C 13 178.677 0.01 A 64 LEU CA C 13 58.403 0.01 A 64 LEU CB C 13 42.505 0.01 A 64 LEU CD1 C 13 27.293 0.01 A 64 LEU CD2 C 13 23.65 0.01 A 64 LEU N N 15 122.453 0.01 A 65 MET H H 1 8.201 0.01 A 65 MET HA H 1 3.612 0.01 A 65 MET HB2 H 1 2.461 0.01 A 65 MET HB3 H 1 2.461 0.01 A 65 MET HE% H 1 1.894 0.01 A 65 MET HGy H 1 2.127 0.01 A 65 MET HGx H 1 1.912 0.01 A 65 MET C C 13 177.829 0.01 A 65 MET CA C 13 58.337 0.01 A 65 MET CB C 13 32.07 0.01 A 65 MET CE C 13 16.995 0.01 A 65 MET CG C 13 31.813 0.01 A 65 MET N N 15 118.821 0.01 A 66 GLU H H 1 6.614 0.01 A 66 GLU HA H 1 4.329 0.01 A 66 GLU HBy H 1 2.343 0.01 A 66 GLU HBx H 1 2.063 0.01 A 66 GLU HGx H 1 2.023 0.01 A 66 GLU HGy H 1 2.456 0.01 A 66 GLU C C 13 177.843 0.01 A 66 GLU CA C 13 58.5 0.01 A 66 GLU CB C 13 31.176 0.01 A 66 GLU CG C 13 36.603 0.01 A 66 GLU N N 15 118.013 0.01 A 67 TYR H H 1 8.055 0.01 A 67 TYR HA H 1 3.958 0.01 A 67 TYR HBy H 1 3.232 0.01 A 67 TYR HBx H 1 2.565 0.01 A 67 TYR HD1 H 1 6.543 0.01 A 67 TYR HD2 H 1 6.426 0.01 A 67 TYR C C 13 177.174 0.01 A 67 TYR CA C 13 60.431 0.01 A 67 TYR CB C 13 40.597 0.01 A 67 TYR CD2 C 13 124.442 0.01 A 67 TYR N N 15 121.476 0.01 A 68 LEU H H 1 8.057 0.01 A 68 LEU HA H 1 2.573 0.01 A 68 LEU HB2 H 1 1.064 0.01 A 68 LEU HB3 H 1 1.064 0.01 A 68 LEU HD1% H 1 -0.675 0.01 A 68 LEU HD2% H 1 -2.806 0.01 A 68 LEU HG H 1 0.044 0.01 A 68 LEU C C 13 176.974 0.01 A 68 LEU CA C 13 55.952 0.01 A 68 LEU CB C 13 29.589 0.01 A 68 LEU CD1 C 13 25.177 0.01 A 68 LEU CD2 C 13 19.988 0.01 A 68 LEU CG C 13 41.475 0.01 A 68 LEU N N 15 111.349 0.01 A 69 GLU H H 1 6.78 0.01 A 69 GLU HA H 1 3.823 0.01 A 69 GLU HB2 H 1 1.669 0.01 A 69 GLU HB3 H 1 1.669 0.01 A 69 GLU HG2 H 1 2.141 0.01 A 69 GLU HG3 H 1 2.141 0.01 A 69 GLU C C 13 176.671 0.01 A 69 GLU CA C 13 58.972 0.01 A 69 GLU CB C 13 29.991 0.01 A 69 GLU CG C 13 36.877 0.01 A 69 GLU N N 15 119.386 0.01 A 70 ASN H H 1 6.648 0.01 A 70 ASN HA H 1 4.335 0.01 A 70 ASN HB2 H 1 3.169 0.01 A 70 ASN HD2y H 1 7.809 0.01 A 70 ASN HD2x H 1 7.296 0.01 A 70 ASN CA C 13 52.079 0.01 A 70 ASN CB C 13 38.2 0.01 A 70 ASN N N 15 105.939 0.01 A 70 ASN ND2 N 15 110.069 0.01 A 71 PRO HA H 1 5.411 0.01 A 71 PRO HBx H 1 4.929 0.01 A 71 PRO HBy H 1 5.162 0.01 A 71 PRO HDy H 1 4.284 0.01 A 71 PRO HDx H 1 3.614 0.01 A 71 PRO HG2 H 1 2.103 0.01 A 71 PRO C C 13 178.905 0.01 A 71 PRO CA C 13 68.134 0.01 A 71 PRO CB C 13 34.099 0.01 A 71 PRO CD C 13 50.393 0.01 A 72 LYS H H 1 9.396 0.01 A 72 LYS HA H 1 5.203 0.01 A 72 LYS HB2 H 1 2.734 0.01 A 72 LYS HB3 H 1 2.734 0.01 A 72 LYS HD2 H 1 2.618 0.01 A 72 LYS HD3 H 1 2.618 0.01 A 72 LYS HE2 H 1 3.524 0.01 A 72 LYS HE3 H 1 3.524 0.01 A 72 LYS HG2 H 1 2.325 0.01 A 72 LYS HG3 H 1 2.325 0.01 A 72 LYS C C 13 178.668 0.01 A 72 LYS CA C 13 59.533 0.01 A 72 LYS CB C 13 33.194 0.01 A 72 LYS CD C 13 31.41 0.01 A 72 LYS CE C 13 42.423 0.01 A 72 LYS CG C 13 26.271 0.01 A 72 LYS N N 15 115.879 0.01 A 73 LYS H H 1 7.781 0.01 A 73 LYS HA H 1 4.453 0.01 A 73 LYS HB2 H 1 2.035 0.01 A 73 LYS HB3 H 1 2.035 0.01 A 73 LYS HE2 H 1 3.176 0.01 A 73 LYS HE3 H 1 3.176 0.01 A 73 LYS HG2 H 1 1.66 0.01 A 73 LYS HG3 H 1 1.66 0.01 A 73 LYS C C 13 179.369 0.01 A 73 LYS CA C 13 58.516 0.01 A 73 LYS CB C 13 33.855 0.01 A 73 LYS CD C 13 30.392 0.01 A 73 LYS CE C 13 42.669 0.01 A 73 LYS CG C 13 26.211 0.01 A 73 LYS N N 15 119.836 0.01 A 74 TYR H H 1 8.096 0.01 A 74 TYR HA H 1 4.732 0.01 A 74 TYR HBy H 1 4.092 0.01 A 74 TYR HBx H 1 3.822 0.01 A 74 TYR HD1 H 1 7.671 0.01 A 74 TYR HD2 H 1 6.582 0.01 A 74 TYR C C 13 176.66 0.01 A 74 TYR CA C 13 62.128 0.01 A 74 TYR CB C 13 40.92 0.01 A 74 TYR N N 15 120.782 0.01 A 75 ILE H H 1 9.422 0.01 A 75 ILE HD1% H 1 2.019 0.01 A 75 ILE HG2% H 1 1.289 0.01 A 75 ILE CA C 13 60.018 0.01 A 75 ILE CD1 C 13 13.899 0.01 A 75 ILE CG2 C 13 19.655 0.01 A 75 ILE N N 15 115.452 0.01 A 76 PRO HA H 1 5.179 0.01 A 76 PRO HB2 H 1 2.252 0.01 A 76 PRO HB3 H 1 2.252 0.01 A 76 PRO HDy H 1 4.2 0.01 A 76 PRO HDx H 1 3.88 0.01 A 76 PRO HG2 H 1 2.06 0.01 A 76 PRO HG3 H 1 2.06 0.01 A 76 PRO C C 13 179.422 0.01 A 76 PRO CA C 13 64.964 0.01 A 76 PRO CB C 13 31.841 0.01 A 76 PRO CD C 13 51.426 0.01 A 77 GLY H H 1 9.324 0.01 A 77 GLY HAx H 1 4.007 0.01 A 77 GLY HAy H 1 4.574 0.01 A 77 GLY C C 13 176.491 0.01 A 77 GLY CA C 13 45.161 0.01 A 77 GLY N N 15 111.897 0.01 A 78 THR H H 1 8.977 0.01 A 78 THR HA H 1 5.253 0.01 A 78 THR HB H 1 5.89 0.01 A 78 THR HG2% H 1 3.459 0.01 A 78 THR C C 13 173.519 0.01 A 78 THR CA C 13 62.269 0.01 A 78 THR CB C 13 71 0.01 A 78 THR CG2 C 13 21.913 0.01 A 78 THR N N 15 115.453 0.01 A 79 LYS H H 1 8.233 0.01 A 79 LYS HA H 1 4.906 0.01 A 79 LYS HD2 H 1 1.446 0.01 A 79 LYS HD3 H 1 1.446 0.01 A 79 LYS C C 13 175.167 0.01 A 79 LYS CA C 13 55.692 0.01 A 79 LYS CB C 13 32.367 0.01 A 79 LYS CG C 13 24.42 0.01 A 79 LYS N N 15 124.047 0.01 A 80 MET H H 1 9.208 0.01 A 80 MET HA H 1 2.801 0.01 A 80 MET C C 13 175.469 0.01 A 80 MET CA C 13 64.697 0.01 A 80 MET CB C 13 33.818 0.01 A 80 MET N N 15 123.146 0.01 A 81 ILE H H 1 8.516 0.01 A 81 ILE HA H 1 5.05 0.01 A 81 ILE HB H 1 2.095 0.01 A 81 ILE HD1% H 1 0.919 0.01 A 81 ILE HG12 H 1 1.376 0.01 A 81 ILE HG2% H 1 1.081 0.01 A 81 ILE C C 13 175.576 0.01 A 81 ILE CA C 13 61.361 0.01 A 81 ILE CB C 13 35.892 0.01 A 81 ILE CD1 C 13 11.834 0.01 A 81 ILE CG2 C 13 17.889 0.01 A 81 ILE N N 15 135.607 0.01 A 82 PHE H H 1 8.928 0.01 A 82 PHE HA H 1 3.52 0.01 A 82 PHE HB2 H 1 2.897 0.01 A 82 PHE HB3 H 1 2.897 0.01 A 82 PHE HD1 H 1 6.708 0.01 A 82 PHE HD2 H 1 6.708 0.01 A 82 PHE CA C 13 59.849 0.01 A 82 PHE CB C 13 44.42 0.01 A 82 PHE N N 15 126.603 0.01 A 83 ALA HB% H 1 1.719 0.01 A 83 ALA CB C 13 40.141 0.01 A 84 GLY H H 1 4.719 0.01 A 84 GLY HAy H 1 4.364 0.01 A 84 GLY HAx H 1 2.861 0.01 A 84 GLY C C 13 172.206 0.01 A 84 GLY CA C 13 43.506 0.01 A 84 GLY N N 15 100.443 0.01 A 85 ILE H H 1 7.972 0.01 A 85 ILE HA H 1 3.841 0.01 A 85 ILE HB H 1 0.784 0.01 A 85 ILE HD1% H 1 -0.246 0.01 A 85 ILE HG2% H 1 0.522 0.01 A 85 ILE C C 13 175.135 0.01 A 85 ILE CA C 13 59.341 0.01 A 85 ILE CB C 13 39.221 0.01 A 85 ILE CD1 C 13 13.79 0.01 A 85 ILE CG1 C 13 26.087 0.01 A 85 ILE CG2 C 13 18.69 0.01 A 85 ILE N N 15 121.145 0.01 A 86 LYS H H 1 8.407 0.01 A 86 LYS HA H 1 3.935 0.01 A 86 LYS HB2 H 1 1.666 0.01 A 86 LYS HB3 H 1 1.666 0.01 A 86 LYS HD2 H 1 1.595 0.01 A 86 LYS HD3 H 1 1.595 0.01 A 86 LYS HE2 H 1 2.845 0.01 A 86 LYS HE3 H 1 2.845 0.01 A 86 LYS HG2 H 1 1.339 0.01 A 86 LYS HG3 H 1 1.339 0.01 A 86 LYS C C 13 178.878 0.01 A 86 LYS CA C 13 58.742 0.01 A 86 LYS CB C 13 32.805 0.01 A 86 LYS CD C 13 29.941 0.01 A 86 LYS CE C 13 42.493 0.01 A 86 LYS CG C 13 25.224 0.01 A 86 LYS N N 15 127.686 0.01 A 87 LYS H H 1 8.192 0.01 A 87 LYS HA H 1 4.125 0.01 A 87 LYS HE2 H 1 2.859 0.01 A 87 LYS HE3 H 1 2.859 0.01 A 87 LYS HG2 H 1 1.482 0.01 A 87 LYS HG3 H 1 1.482 0.01 A 87 LYS CA C 13 57.666 0.01 A 87 LYS N N 15 120.624 0.01 A 88 LYS H H 1 8.953 0.01 A 88 LYS HA H 1 3.47 0.01 A 88 LYS HB2 H 1 1.734 0.01 A 88 LYS HB3 H 1 1.734 0.01 A 88 LYS HD2 H 1 1.56 0.01 A 88 LYS HD3 H 1 1.56 0.01 A 88 LYS HE2 H 1 2.837 0.01 A 88 LYS HE3 H 1 2.837 0.01 A 88 LYS HG2 H 1 1.219 0.01 A 88 LYS HG3 H 1 1.219 0.01 A 88 LYS C C 13 178.422 0.01 A 88 LYS CA C 13 60.893 0.01 A 88 LYS CB C 13 32.773 0.01 A 88 LYS CD C 13 29.742 0.01 A 88 LYS CE C 13 42.15 0.01 A 88 LYS CG C 13 25.993 0.01 A 88 LYS N N 15 129.496 0.01 A 89 THR H H 1 8.168 0.01 A 89 THR HA H 1 3.886 0.01 A 89 THR HB H 1 3.983 0.01 A 89 THR HG2% H 1 1.189 0.01 A 89 THR C C 13 176.16 0.01 A 89 THR CA C 13 65.219 0.01 A 89 THR CB C 13 68.202 0.01 A 89 THR CG2 C 13 22.94 0.01 A 89 THR N N 15 110.431 0.01 A 90 GLU H H 1 6.051 0.01 A 90 GLU HA H 1 3.942 0.01 A 90 GLU HB2 H 1 1.615 0.01 A 90 GLU HB3 H 1 1.615 0.01 A 90 GLU HG2 H 1 2.035 0.01 A 90 GLU HG3 H 1 2.035 0.01 A 90 GLU C C 13 178.756 0.01 A 90 GLU CA C 13 58.68 0.01 A 90 GLU CB C 13 30.317 0.01 A 90 GLU CG C 13 37.6 0.01 A 90 GLU N N 15 119.164 0.01 A 91 ARG H H 1 7.096 0.01 A 91 ARG HA H 1 3.179 0.01 A 91 ARG HB2 H 1 1.259 0.01 A 91 ARG HB3 H 1 1.259 0.01 A 91 ARG HD2 H 1 2.931 0.01 A 91 ARG HD3 H 1 2.931 0.01 A 91 ARG C C 13 177.637 0.01 A 91 ARG CA C 13 61.72 0.01 A 91 ARG CB C 13 31.311 0.01 A 91 ARG N N 15 117.465 0.01 A 92 GLU H H 1 8.252 0.01 A 92 GLU HA H 1 3.533 0.01 A 92 GLU HB2 H 1 2.034 0.01 A 92 GLU HB3 H 1 2.034 0.01 A 92 GLU HG2 H 1 2.204 0.01 A 92 GLU HG3 H 1 2.204 0.01 A 92 GLU C C 13 180.174 0.01 A 92 GLU CA C 13 59.783 0.01 A 92 GLU CB C 13 29.837 0.01 A 92 GLU CG C 13 37.501 0.01 A 92 GLU N N 15 118.048 0.01 A 93 ASP H H 1 8.177 0.01 A 93 ASP HA H 1 4.454 0.01 A 93 ASP HB2 H 1 2.371 0.01 A 93 ASP HB3 H 1 2.371 0.01 A 93 ASP C C 13 177.791 0.01 A 93 ASP CA C 13 58.371 0.01 A 93 ASP CB C 13 39.567 0.01 A 93 ASP N N 15 123.093 0.01 A 94 LEU H H 1 7.942 0.01 A 94 LEU HA H 1 3.772 0.01 A 94 LEU HBy H 1 1.411 0.01 A 94 LEU HBx H 1 1.027 0.01 A 94 LEU HD1% H 1 0.562 0.01 A 94 LEU HD2% H 1 -0.304 0.01 A 94 LEU HG H 1 0.628 0.01 A 94 LEU C C 13 178.413 0.01 A 94 LEU CA C 13 58.472 0.01 A 94 LEU CB C 13 41.515 0.01 A 94 LEU CD1 C 13 23.937 0.01 A 94 LEU CD2 C 13 27.599 0.01 A 94 LEU N N 15 121.052 0.01 A 95 ILE H H 1 8.388 0.01 A 95 ILE HA H 1 3.07 0.01 A 95 ILE HB H 1 1.622 0.01 A 95 ILE HD1% H 1 0.395 0.01 A 95 ILE HG12 H 1 0.749 0.01 A 95 ILE HG2% H 1 0.797 0.01 A 95 ILE C C 13 176.377 0.01 A 95 ILE CA C 13 66.087 0.01 A 95 ILE CB C 13 37.798 0.01 A 95 ILE CD1 C 13 14.701 0.01 A 95 ILE CG1 C 13 31.658 0.01 A 95 ILE CG2 C 13 18.159 0.01 A 95 ILE N N 15 119.807 0.01 A 96 ALA H H 1 7.768 0.01 A 96 ALA HA H 1 3.891 0.01 A 96 ALA HB% H 1 1.211 0.01 A 96 ALA C C 13 180.944 0.01 A 96 ALA CA C 13 55.411 0.01 A 96 ALA CB C 13 17.6 0.01 A 96 ALA N N 15 123.152 0.01 A 97 TYR H H 1 7.909 0.01 A 97 TYR HA H 1 4.124 0.01 A 97 TYR HBy H 1 3.506 0.01 A 97 TYR HBx H 1 2.757 0.01 A 97 TYR HD1 H 1 6.465 0.01 A 97 TYR HD2 H 1 7.162 0.01 A 97 TYR C C 13 176.502 0.01 A 97 TYR CA C 13 62.043 0.01 A 97 TYR CB C 13 37.649 0.01 A 97 TYR N N 15 118.271 0.01 A 98 LEU H H 1 8.706 0.01 A 98 LEU HA H 1 3.317 0.01 A 98 LEU HB2 H 1 1.773 0.01 A 98 LEU HB3 H 1 1.773 0.01 A 98 LEU HD1% H 1 -0.166 0.01 A 98 LEU HD2% H 1 0.424 0.01 A 98 LEU HG H 1 1.022 0.01 A 98 LEU C C 13 179.347 0.01 A 98 LEU CA C 13 57.975 0.01 A 98 LEU CB C 13 42.1 0.01 A 98 LEU CD1 C 13 25.262 0.01 A 98 LEU CD2 C 13 23.224 0.01 A 98 LEU N N 15 119.198 0.01 A 99 LYS H H 1 8.801 0.01 A 99 LYS HA H 1 2.469 0.01 A 99 LYS HB2 H 1 1.434 0.01 A 99 LYS HB3 H 1 1.434 0.01 A 99 LYS HD2 H 1 0.163 0.01 A 99 LYS HD3 H 1 0.163 0.01 A 99 LYS HE2 H 1 0.709 0.01 A 99 LYS HE3 H 1 0.709 0.01 A 99 LYS HG2 H 1 1.116 0.01 A 99 LYS HG3 H 1 1.116 0.01 A 99 LYS C C 13 177.135 0.01 A 99 LYS CA C 13 59.569 0.01 A 99 LYS CB C 13 32.273 0.01 A 99 LYS CD C 13 29.64 0.01 A 99 LYS CE C 13 42.282 0.01 A 99 LYS CG C 13 24.869 0.01 A 99 LYS N N 15 124.16 0.01 A 100 LYS H H 1 6.728 0.01 A 100 LYS HA H 1 4.058 0.01 A 100 LYS HB2 H 1 1.708 0.01 A 100 LYS HB3 H 1 1.708 0.01 A 100 LYS HD2 H 1 1.648 0.01 A 100 LYS HD3 H 1 1.648 0.01 A 100 LYS HE2 H 1 2.992 0.01 A 100 LYS HE3 H 1 2.992 0.01 A 100 LYS HG2 H 1 1.279 0.01 A 100 LYS HG3 H 1 1.279 0.01 A 100 LYS C C 13 178.925 0.01 A 100 LYS CA C 13 58.206 0.01 A 100 LYS CB C 13 33.716 0.01 A 100 LYS CD C 13 30.075 0.01 A 100 LYS CE C 13 42.435 0.01 A 100 LYS CG C 13 24.799 0.01 A 100 LYS N N 15 117.416 0.01 A 101 ALA H H 1 8.6 0.01 A 101 ALA HA H 1 4.017 0.01 A 101 ALA HB% H 1 0.734 0.01 A 101 ALA C C 13 180.023 0.01 A 101 ALA CA C 13 55.191 0.01 A 101 ALA CB C 13 19.281 0.01 A 101 ALA N N 15 119.942 0.01 A 102 THR H H 1 7.874 0.01 A 102 THR HA H 1 4.58 0.01 A 102 THR HB H 1 4.848 0.01 A 102 THR HG2% H 1 1.255 0.01 A 102 THR C C 13 173.419 0.01 A 102 THR CA C 13 62.434 0.01 A 102 THR CB C 13 69.7 0.01 A 102 THR CG2 C 13 22.93 0.01 A 102 THR N N 15 102.435 0.01 A 103 ASN H H 1 7.11 0.01 A 103 ASN HA H 1 4.922 0.01 A 103 ASN HBy H 1 2.823 0.01 A 103 ASN HBx H 1 2.523 0.01 A 103 ASN HD2x H 1 6.42 0.01 A 103 ASN HD2y H 1 7.894 0.01 A 103 ASN C C 13 174.247 0.01 A 103 ASN CA C 13 53.053 0.01 A 103 ASN CB C 13 42.095 0.01 A 103 ASN N N 15 119.206 0.01 A 103 ASN ND2 N 15 114.494 0.01 A 104 GLU H H 1 7.405 0.01 A 104 GLU HA H 1 4.293 0.01 A 104 GLU HB2 H 1 2.059 0.01 A 104 GLU HB3 H 1 2.059 0.01 A 104 GLU HG2 H 1 2.364 0.01 A 104 GLU HG3 H 1 2.364 0.01 A 104 GLU CA C 13 58.374 0.01 A 104 GLU CB C 13 31.514 0.01 A 104 GLU CG C 13 36.896 0.01 A 104 GLU N N 15 125.446 0.01 B 1 HEC HAA2 H 1 11.408 0.01 B 1 HEC HAD2 H 1 -1.489 0.01 B 1 HEC HBAy H 1 1.762 0.01 B 1 HEC HBAx H 1 -0.381 0.01 B 1 HEC HBB% H 1 -2.462 0.01 B 1 HEC HBDx H 1 1.102 0.01 B 1 HEC HHB H 1 -0.867 0.01 B 1 HEC HHD H 1 -0.638 0.01 B 1 HEC HMA% H 1 35.205 0.01 B 1 HEC HMB% H 1 6.942 0.01 B 1 HEC HMC% H 1 33.734 0.01 B 1 HEC HMD% H 1 9.913 0.01 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 29 GLY H A 29 GLY HA2 1.0 1.7 5.5 2 1 A 29 GLY HA3 A 29 GLY H 1.0 1.7 5.5 3 2 A 78 THR HA A 80 MET H 1.0 1.7 5.5 4 3 A 12 GLN H A 15 ALA HB% 1.0 1.7 6.0 5 4 A 63 THR HA A 65 MET H 1.0 1.7 5.5 6 5 A 85 ILE HA A 85 ILE H 1.0 1.7 3.0 7 6 A 77 GLY H A 72 LYS HD2 1.0 1.7 5.5 8 6 A 72 LYS HD3 A 77 GLY H 1.0 1.7 5.5 9 7 A 11 VAL HB A 11 VAL H 1.0 1.7 4.0 10 8 A 92 GLU H A 88 LYS HG2 1.0 1.7 5.5 11 8 A 92 GLU H A 88 LYS HG3 1.0 1.7 5.5 12 9 A 75 ILE HG2% A 75 ILE H 1.0 1.7 6.0 13 10 A 55 LYS HA A 55 LYS H 1.0 1.7 3.0 14 11 A 77 GLY H A 51 ALA HB% 1.0 1.7 6.0 15 12 A 97 TYR HBy A 96 ALA H 1.0 1.7 5.5 16 13 A 12 GLN HE2x A 12 GLN HB2 1.0 1.7 5.5 17 13 A 12 GLN HB3 A 12 GLN HE2x 1.0 1.7 5.5 18 14 A 92 GLU H A 92 GLU HG2 1.0 1.7 5.0 19 14 A 92 GLU H A 92 GLU HG3 1.0 1.7 5.0 20 15 A 38 ARG H A 38 ARG HB2 1.0 1.7 4.0 21 15 A 38 ARG HB3 A 38 ARG H 1.0 1.7 4.0 22 16 A 54 ASN HBx A 54 ASN HD2x 1.0 1.7 4.0 23 17 A 99 LYS HA A 100 LYS H 1.0 1.7 4.0 24 18 A 29 GLY H A 28 THR HB 1.0 1.7 5.5 25 19 A 22 LYS H A 24 GLY H 1.0 1.7 9.5 26 20 A 102 THR HA A 104 GLU H 1.0 1.7 4.0 27 21 A 87 LYS H A 86 LYS HG2 1.0 1.7 5.5 28 21 A 87 LYS H A 86 LYS HG3 1.0 1.7 5.5 29 22 A 7 LYS HA A 9 ILE H 1.0 1.7 5.5 30 23 A 52 ASN HD22 A 59 TRP HE1 1.0 1.7 5.5 31 24 A 46 PHE HBx A 46 PHE H 1.0 1.7 3.0 32 25 A 40 THR HA A 40 THR H 1.0 1.7 3.0 33 26 A 99 LYS H A 99 LYS HG2 1.0 1.7 4.0 34 26 A 99 LYS HG3 A 99 LYS H 1.0 1.7 4.0 35 27 A 52 ASN HA A 52 ASN H 1.0 1.7 4.0 36 28 A 39 LYS H A 42 GLN HE2x 1.0 1.7 5.5 37 29 A 94 LEU HD2% A 14 CYS H 1.0 1.7 6.0 38 30 A 63 THR HG2% A 58 THR H 1.0 1.7 6.0 39 31 A 48 TYR HA A 48 TYR H 1.0 1.7 5.5 40 32 A 46 PHE H A 47 THR H 1.0 1.7 5.5 41 33 A 64 LEU H A 64 LEU HB2 1.0 1.7 3.0 42 33 A 64 LEU HB3 A 64 LEU H 1.0 1.7 3.0 43 34 A 26 HIS HBx A 27 LYS H 1.0 1.7 4.0 44 35 A 41 GLY HAy A 41 GLY H 1.0 1.7 4.0 45 36 A 100 LYS H A 99 LYS H 1.0 1.7 3.0 46 37 A 49 THR HB A 49 THR H 1.0 1.7 4.0 47 38 A 82 PHE H A 81 ILE H 1.0 1.7 5.5 48 39 A 35 LEU HD1% A 35 LEU H 1.0 1.7 4.5 49 40 A 39 LYS H A 42 GLN HE2y 1.0 1.7 5.5 50 41 A 9 ILE H A 9 ILE HA 1.0 1.7 4.0 51 42 A 92 GLU H A 90 GLU H 1.0 1.7 4.0 52 43 A 7 LYS H A 6 GLY H 1.0 1.7 3.0 53 44 A 65 MET H A 65 MET HB2 1.0 1.7 3.0 54 44 A 65 MET H A 65 MET HB3 1.0 1.7 3.0 55 45 A 101 ALA H A 100 LYS HG2 1.0 1.7 5.5 56 45 A 101 ALA H A 100 LYS HG3 1.0 1.7 5.5 57 46 A 22 LYS H A 21 GLU H 1.0 1.7 5.5 58 47 A 53 LYS H A 53 LYS HG2 1.0 1.7 4.0 59 47 A 53 LYS HG3 A 53 LYS H 1.0 1.7 4.0 60 48 A 91 ARG H A 90 GLU HA 1.0 1.7 5.5 61 49 A 26 HIS H A 26 HIS HA 1.0 1.7 5.5 62 50 A 54 ASN H A 53 LYS HG2 1.0 1.7 5.5 63 50 A 53 LYS HG3 A 54 ASN H 1.0 1.7 5.5 64 51 A 65 MET H A 65 MET HA 1.0 1.7 4.0 65 52 A 89 THR HB A 89 THR H 1.0 1.7 4.0 66 53 A 17 CYS HA A 17 CYS H 1.0 1.7 4.0 67 54 A 42 GLN HE2x A 42 GLN HA 1.0 1.7 5.5 68 55 A 11 VAL H A 10 PHE H 1.0 1.7 4.0 69 56 A 67 TYR HBx A 67 TYR H 1.0 1.7 4.0 70 57 A 12 GLN HE2y A 8 LYS HD2 1.0 1.7 5.5 71 57 A 8 LYS HD3 A 12 GLN HE2y 1.0 1.7 5.5 72 58 A 65 MET H A 64 LEU H 1.0 1.7 4.0 73 59 A 11 VAL H A 8 LYS HA 1.0 1.7 5.5 74 60 A 75 ILE H A 72 LYS HA 1.0 1.7 4.0 75 61 A 97 TYR HBx A 98 LEU H 1.0 1.7 4.0 76 62 A 71 PRO HA A 70 ASN H 1.0 1.7 5.5 77 63 A 60 LYS H A 63 THR H 1.0 1.7 4.0 78 64 A 65 MET H A 91 ARG HD2 1.0 1.7 5.5 79 64 A 65 MET H A 91 ARG HD3 1.0 1.7 5.5 80 65 A 59 TRP HE1 A 41 GLY H 1.0 1.7 4.0 81 66 A 12 GLN H A 15 ALA H 1.0 1.7 5.5 82 67 A 19 THR HB A 20 VAL H 1.0 1.7 4.0 83 68 A 54 ASN HD2x A 54 ASN H 1.0 1.7 4.0 84 69 A 11 VAL H A 10 PHE HA 1.0 1.7 4.0 85 70 A 58 THR H A 58 THR HA 1.0 1.7 4.0 86 71 A 72 LYS H A 71 PRO HDy 1.0 1.7 5.5 87 72 A 66 GLU H A 65 MET HB2 1.0 1.7 4.0 88 72 A 65 MET HB3 A 66 GLU H 1.0 1.7 4.0 89 73 A 9 ILE H A 8 LYS H 1.0 1.7 4.0 90 74 A 41 GLY H A 42 GLN H 1.0 1.7 4.0 91 75 A 59 TRP HE1 A 40 THR HG2% 1.0 1.7 6.0 92 76 A 11 VAL H A 11 VAL HA 1.0 1.7 4.0 93 77 A 101 ALA H A 101 ALA HA 1.0 1.7 3.0 94 78 A 37 GLY H A 59 TRP H 1.0 1.7 5.5 95 79 A 7 LYS H A 4 GLU HA 1.0 1.7 5.5 96 80 A 60 LYS H A 36 PHE HD1 1.0 1.7 5.5 97 81 A 101 ALA H A 3 VAL HG2% 1.0 1.7 6.0 98 82 A 70 ASN H A 69 GLU HB2 1.0 1.7 4.0 99 82 A 70 ASN H A 69 GLU HB3 1.0 1.7 4.0 100 83 A 52 ASN H A 51 ALA H 1.0 1.7 4.0 101 84 A 57 ILE HG12 A 57 ILE H 1.0 1.7 4.0 102 85 A 61 GLU H A 61 GLU HG2 1.0 1.7 5.5 103 85 A 61 GLU H A 61 GLU HG3 1.0 1.7 5.5 104 86 A 92 GLU H A 89 THR HA 1.0 1.7 4.0 105 87 A 56 GLY H A 39 LYS HD2 1.0 1.7 5.5 106 87 A 39 LYS HD3 A 56 GLY H 1.0 1.7 5.5 107 88 A 70 ASN HD2y A 70 ASN HBy 1.0 1.7 5.5 108 88 A 70 ASN HB2 A 70 ASN HD2y 1.0 1.7 5.5 109 89 A 24 GLY H A 21 GLU HB2 1.0 1.7 5.5 110 89 A 24 GLY H A 21 GLU HB3 1.0 1.7 5.5 111 90 A 57 ILE H A 57 ILE HG2% 1.0 1.7 4.5 112 91 A 54 ASN HBx A 53 LYS H 1.0 1.7 4.0 113 92 A 26 HIS HA A 31 ASN H 1.0 1.7 5.5 114 93 A 90 GLU H A 91 ARG H 1.0 1.7 4.0 115 94 A 22 LYS H A 22 LYS HA 1.0 1.7 4.0 116 95 A 24 GLY H A 23 GLY HAx 1.0 1.7 3.0 117 96 A 94 LEU HD2% A 94 LEU H 1.0 1.7 6.0 118 97 A 92 GLU H A 92 GLU HA 1.0 1.7 4.0 119 98 A 77 GLY H A 77 GLY HAy 1.0 1.7 3.0 120 99 A 9 ILE H A 9 ILE HG2% 1.0 1.7 6.0 121 100 A 75 ILE H A 73 LYS H 1.0 1.7 5.5 122 101 A 1 GLY HAy A 2 ASP H 1.0 1.7 4.0 123 102 A 10 PHE H A 8 LYS H 1.0 1.7 4.0 124 103 A 92 GLU H A 91 ARG HA 1.0 1.7 5.5 125 104 A 58 THR H A 57 ILE H 1.0 1.7 5.5 126 105 A 94 LEU HA A 97 TYR H 1.0 1.7 4.0 127 106 A 55 LYS H A 56 GLY H 1.0 1.7 4.0 128 107 A 95 ILE HG2% A 95 ILE H 1.0 1.7 6.0 129 108 A 58 THR H A 60 LYS HE2 1.0 1.7 5.5 130 108 A 58 THR H A 60 LYS HE3 1.0 1.7 5.5 131 109 A 49 THR HG2% A 50 ASP H 1.0 1.7 6.0 132 110 A 59 TRP H A 59 TRP HD1 1.0 1.7 4.0 133 111 A 9 ILE H A 8 LYS HA 1.0 1.7 4.0 134 112 A 17 CYS H A 18 HIS H 1.0 1.7 3.0 135 113 A 65 MET HA A 68 LEU H 1.0 1.7 5.5 136 114 A 35 LEU H A 34 GLY H 1.0 1.7 4.0 137 115 A 32 LEU H A 19 THR H 1.0 1.7 4.5 138 116 A 98 LEU H A 97 TYR HD2 1.0 1.7 5.5 139 117 A 60 LYS H A 60 LYS HG2 1.0 1.7 4.0 140 117 A 60 LYS H A 60 LYS HG3 1.0 1.7 4.0 141 118 A 51 ALA HB% A 52 ASN H 1.0 1.7 4.5 142 119 A 82 PHE H A 82 PHE HD% 1.0 1.7 5.5 143 120 A 90 GLU H A 89 THR H 1.0 1.7 4.0 144 121 A 63 THR H A 63 THR HB 1.0 1.7 5.5 145 122 A 70 ASN H A 70 ASN HBy 1.0 1.7 4.0 146 123 A 61 GLU H A 60 LYS HA 1.0 1.7 4.0 147 124 A 11 VAL H A 14 CYS H 1.0 1.7 5.5 148 125 A 10 PHE HA A 13 LYS H 1.0 1.7 5.5 149 126 A 73 LYS H A 73 LYS HB2 1.0 1.7 3.0 150 126 A 73 LYS H A 73 LYS HB3 1.0 1.7 3.0 151 127 A 72 LYS H A 72 LYS HG2 1.0 1.7 5.0 152 127 A 72 LYS H A 72 LYS HG3 1.0 1.7 5.0 153 128 A 14 CYS H A 13 LYS H 1.0 1.7 3.0 154 129 A 27 LYS H A 26 HIS HBy 1.0 1.7 4.0 155 130 A 48 TYR H A 47 THR H 1.0 1.7 4.0 156 131 A 17 CYS H A 16 GLN H 1.0 1.7 4.0 157 132 A 67 TYR H A 67 TYR HBy 1.0 1.7 3.0 158 133 A 38 ARG H A 58 THR HG2% 1.0 1.7 6.0 159 134 A 102 THR HA A 35 LEU H 1.0 1.7 5.5 160 135 A 96 ALA H A 98 LEU H 1.0 1.7 5.5 161 136 A 79 LYS H A 79 LYS HD2 1.0 1.7 5.5 162 136 A 79 LYS HD3 A 79 LYS H 1.0 1.7 5.5 163 137 A 12 GLN HE2x A 12 GLN HE2y 1.0 1.7 3.0 164 138 A 35 LEU HG A 36 PHE H 1.0 1.7 4.0 165 139 A 9 ILE HD1% A 93 ASP H 1.0 1.7 6.0 166 140 A 94 LEU H A 9 ILE HD1% 1.0 1.7 6.0 167 141 A 89 THR H A 88 LYS HB2 1.0 1.7 4.0 168 141 A 89 THR H A 88 LYS HB3 1.0 1.7 4.0 169 142 A 65 MET H A 91 ARG HB2 1.0 1.7 5.5 170 142 A 65 MET H A 91 ARG HB3 1.0 1.7 5.5 171 143 A 9 ILE HA A 8 LYS H 1.0 1.7 5.5 172 144 A 36 PHE HD1 A 36 PHE H 1.0 1.7 5.5 173 144 A 36 PHE H A 36 PHE HD2 1.0 1.7 5.5 174 145 A 103 ASN HBx A 103 ASN HD2x 1.0 1.7 4.0 175 146 A 31 ASN H A 30 PRO HA 1.0 1.7 4.0 176 147 A 90 GLU HA A 93 ASP H 1.0 1.7 4.0 177 148 A 67 TYR H A 64 LEU HD2% 1.0 1.7 6.0 178 149 A 98 LEU H A 95 ILE H 1.0 1.7 5.5 179 150 A 63 THR HG2% A 63 THR H 1.0 1.7 4.5 180 151 A 72 LYS HA A 73 LYS H 1.0 1.7 4.0 181 152 A 99 LYS HA A 102 THR H 1.0 1.7 4.0 182 153 A 46 PHE H A 26 HIS HD2 1.0 1.7 5.5 183 154 A 53 LYS H A 53 LYS HD2 1.0 1.7 5.5 184 154 A 53 LYS H A 53 LYS HD3 1.0 1.7 5.5 185 155 A 13 LYS H A 13 LYS HE2 1.0 1.7 5.5 186 155 A 13 LYS H A 13 LYS HE3 1.0 1.7 5.5 187 156 A 49 THR H A 48 TYR HBx 1.0 1.7 4.0 188 157 A 58 THR H A 58 THR HB 1.0 1.7 3.0 189 158 A 22 LYS H A 21 GLU HA 1.0 1.7 3.0 190 159 A 32 LEU H A 32 LEU HB2 1.0 1.7 5.5 191 160 A 16 GLN H A 16 GLN HGy 1.0 1.7 5.5 192 160 A 16 GLN H A 16 GLN HGx 1.0 1.7 5.5 193 161 A 11 VAL H A 10 PHE HBy 1.0 1.7 4.0 194 162 A 66 GLU H A 65 MET HGy 1.0 1.7 5.5 195 163 A 18 HIS H A 15 ALA HA 1.0 1.7 5.5 196 164 A 93 ASP H A 93 ASP HB2 1.0 1.7 4.0 197 164 A 93 ASP H A 93 ASP HB3 1.0 1.7 4.0 198 165 A 65 MET H A 64 LEU HB2 1.0 1.7 4.0 199 165 A 65 MET H A 64 LEU HB3 1.0 1.7 4.0 200 166 A 2 ASP H A 2 ASP HBx 1.0 1.7 3.0 201 167 A 67 TYR H A 66 GLU H 1.0 1.7 3.0 202 168 A 17 CYS H A 16 GLN HBx 1.0 1.7 5.5 203 169 A 70 ASN H A 70 ASN HA 1.0 1.7 4.0 204 170 A 56 GLY H A 57 ILE HA 1.0 1.7 5.5 205 171 A 12 GLN H A 13 LYS H 1.0 1.7 4.0 206 172 A 59 TRP HE1 A 40 THR H 1.0 1.7 5.5 207 173 A 64 LEU H A 62 GLU H 1.0 1.7 5.5 208 174 A 5 LYS H A 5 LYS HE2 1.0 1.7 5.5 209 174 A 5 LYS H A 5 LYS HE3 1.0 1.7 5.5 210 175 A 36 PHE H A 35 LEU HB2 1.0 1.7 5.5 211 175 A 36 PHE H A 35 LEU HB3 1.0 1.7 5.5 212 176 A 19 THR H A 18 HIS HD2 1.0 1.7 5.5 213 177 A 80 MET H A 80 MET HA 1.0 1.7 3.0 214 178 A 3 VAL HG1% A 3 VAL H 1.0 1.7 4.5 215 179 A 11 VAL H A 94 LEU HD1% 1.0 1.7 6.0 216 180 A 91 ARG H A 68 LEU HD1% 1.0 1.7 6.0 217 181 A 104 GLU H A 101 ALA H 1.0 1.7 5.5 218 182 A 103 ASN HD2x A 103 ASN HBy 1.0 1.7 4.0 219 183 A 96 ALA H A 95 ILE HG2% 1.0 1.7 6.0 220 184 A 16 GLN HE21 A 16 GLN HGy 1.0 1.7 5.5 221 184 A 16 GLN HGx A 16 GLN HE21 1.0 1.7 5.5 222 185 A 74 TYR H A 74 TYR HBx 1.0 1.7 5.5 223 185 A 74 TYR H A 74 TYR HBy 1.0 1.7 5.5 224 186 A 98 LEU H A 97 TYR H 1.0 1.7 4.0 225 187 A 64 LEU H A 95 ILE HG2% 1.0 1.7 6.0 226 188 A 58 THR H A 57 ILE HD1% 1.0 1.7 6.0 227 189 A 35 LEU H A 35 LEU HA 1.0 1.7 3.0 228 190 A 10 PHE H A 8 LYS HD2 1.0 1.7 5.5 229 190 A 10 PHE H A 8 LYS HD3 1.0 1.7 5.5 230 191 A 72 LYS H A 72 LYS HB2 1.0 1.7 4.0 231 191 A 72 LYS H A 72 LYS HB3 1.0 1.7 4.0 232 192 A 97 TYR HBy A 7 LYS H 1.0 1.7 4.0 233 193 A 40 THR H A 39 LYS HB2 1.0 1.7 4.0 234 193 A 40 THR H A 39 LYS HB3 1.0 1.7 4.0 235 194 A 61 GLU H A 61 GLU HB3 1.0 1.7 3.0 236 195 A 72 LYS H A 70 ASN HA 1.0 1.7 4.0 237 196 A 25 LYS H A 25 LYS HE2 1.0 1.7 5.5 238 196 A 25 LYS HE3 A 25 LYS H 1.0 1.7 5.5 239 197 A 24 GLY H A 23 GLY H 1.0 1.7 4.0 240 198 A 38 ARG H A 37 GLY HAx 1.0 1.7 4.0 241 199 A 7 LYS H A 7 LYS HD2 1.0 1.7 5.5 242 199 A 7 LYS H A 7 LYS HD3 1.0 1.7 5.5 243 200 A 92 GLU H A 95 ILE HD1% 1.0 1.7 6.0 244 201 A 104 GLU H A 102 THR H 1.0 1.7 4.0 245 202 A 3 VAL HG1% A 4 GLU H 1.0 1.7 6.0 246 203 A 16 GLN H A 16 GLN HBy 1.0 1.7 4.0 247 204 A 100 LYS H A 99 LYS HB2 1.0 1.7 3.0 248 204 A 100 LYS H A 99 LYS HB3 1.0 1.7 3.0 249 205 A 68 LEU H A 69 GLU H 1.0 1.7 4.0 250 206 A 35 LEU H A 35 LEU HB2 1.0 1.7 3.0 251 206 A 35 LEU H A 35 LEU HB3 1.0 1.7 3.0 252 207 A 11 VAL H A 13 LYS H 1.0 1.7 4.0 253 208 A 12 GLN HE2y A 12 GLN HB2 1.0 1.7 5.5 254 208 A 12 GLN HB3 A 12 GLN HE2y 1.0 1.7 5.5 255 209 A 13 LYS H A 13 LYS HD2 1.0 1.7 5.5 256 209 A 13 LYS H A 13 LYS HD3 1.0 1.7 5.5 257 210 A 6 GLY H A 5 LYS HB2 1.0 1.7 4.0 258 210 A 6 GLY H A 5 LYS HB3 1.0 1.7 4.0 259 211 A 36 PHE H A 36 PHE HA 1.0 1.7 3.0 260 212 A 70 ASN H A 69 GLU HA 1.0 1.7 4.0 261 213 A 23 GLY H A 23 GLY HAy 1.0 1.7 4.0 262 214 A 13 LYS H A 13 LYS HA 1.0 1.7 4.0 263 215 A 42 GLN HE2x A 42 GLN H 1.0 1.7 5.5 264 216 A 51 ALA H A 50 ASP HB2 1.0 1.7 3.5 265 216 A 51 ALA H A 50 ASP HB3 1.0 1.7 3.5 266 217 A 36 PHE H A 99 LYS HG2 1.0 1.7 5.5 267 217 A 99 LYS HG3 A 36 PHE H 1.0 1.7 5.5 268 218 A 49 THR H A 49 THR HA 1.0 1.7 5.5 269 219 A 46 PHE H A 46 PHE HBy 1.0 1.7 3.0 270 220 A 40 THR H A 57 ILE H 1.0 1.7 5.5 271 221 A 32 LEU H A 31 ASN HA 1.0 1.7 4.0 272 222 A 24 GLY H A 25 LYS H 1.0 1.7 4.0 273 223 A 36 PHE H A 35 LEU HD2% 1.0 1.7 6.0 274 224 A 65 MET H A 63 THR H 1.0 1.7 4.0 275 225 A 70 ASN H A 71 PRO HBy 1.0 1.7 6.0 276 226 A 81 ILE H A 81 ILE HA 1.0 1.7 4.0 277 227 A 73 LYS H A 72 LYS HB2 1.0 1.7 5.5 278 227 A 73 LYS H A 72 LYS HB3 1.0 1.7 5.5 279 228 A 104 GLU H A 103 ASN H 1.0 1.7 3.0 280 229 A 100 LYS H A 101 ALA H 1.0 1.7 3.0 281 230 A 73 LYS H A 70 ASN HBy 1.0 1.7 5.5 282 231 A 27 LYS H A 19 THR H 1.0 1.7 5.5 283 232 A 60 LYS HA A 62 GLU H 1.0 1.7 5.5 284 233 A 63 THR H A 61 GLU HA 1.0 1.7 5.5 285 234 A 92 GLU H A 92 GLU HB2 1.0 1.7 4.0 286 234 A 92 GLU H A 92 GLU HB3 1.0 1.7 4.0 287 235 A 37 GLY H A 38 ARG HB2 1.0 1.7 5.5 288 235 A 38 ARG HB3 A 37 GLY H 1.0 1.7 5.5 289 236 A 54 ASN H A 53 LYS HA 1.0 1.7 5.5 290 237 A 43 ALA HA A 43 ALA H 1.0 1.7 4.0 291 238 A 58 THR H A 57 ILE HB 1.0 1.7 3.0 292 239 A 3 VAL H A 2 ASP HBy 1.0 1.7 5.5 293 240 A 90 GLU H A 90 GLU HA 1.0 1.7 3.0 294 241 A 85 ILE H A 84 GLY HAx 1.0 1.7 3.0 295 242 A 103 ASN H A 101 ALA HB% 1.0 1.7 6.0 296 243 A 32 LEU H A 32 LEU HA 1.0 1.7 4.0 297 244 A 39 LYS H A 38 ARG HB2 1.0 1.7 5.5 298 244 A 38 ARG HB3 A 39 LYS H 1.0 1.7 5.5 299 245 A 43 ALA H A 43 ALA HB% 1.0 1.7 4.5 300 246 A 54 ASN HBx A 54 ASN HD2y 1.0 1.7 4.0 301 247 A 48 TYR H A 47 THR HG2% 1.0 1.7 6.0 302 248 A 4 GLU HA A 4 GLU H 1.0 1.7 3.5 303 249 A 10 PHE H A 10 PHE HA 1.0 1.7 4.0 304 250 A 95 ILE H A 95 ILE HA 1.0 1.7 4.0 305 251 A 99 LYS H A 98 LEU HD1% 1.0 1.7 6.0 306 252 A 7 LYS HA A 7 LYS H 1.0 1.7 3.0 307 253 A 61 GLU H A 60 LYS HDx 1.0 1.7 4.0 308 254 A 55 LYS H A 55 LYS HG2 1.0 1.7 5.5 309 254 A 55 LYS H A 55 LYS HG3 1.0 1.7 5.5 310 255 A 94 LEU H A 94 LEU HBx 1.0 1.7 5.5 311 256 A 101 ALA H A 98 LEU HA 1.0 1.7 5.5 312 257 A 82 PHE H A 81 ILE HG2% 1.0 1.7 4.5 313 258 A 78 THR HB A 78 THR H 1.0 1.7 3.0 314 259 A 12 GLN H A 12 GLN HGy 1.0 1.7 4.0 315 260 A 87 LYS H A 85 ILE HB 1.0 1.7 5.5 316 261 A 27 LYS H A 26 HIS H 1.0 1.7 5.5 317 262 A 59 TRP H A 59 TRP HBx 1.0 1.7 4.0 318 263 A 3 VAL HG2% A 97 TYR H 1.0 1.7 6.0 319 264 A 92 GLU H A 91 ARG H 1.0 1.7 4.0 320 265 A 63 THR HG2% A 62 GLU H 1.0 1.7 6.0 321 266 A 18 HIS H A 19 THR HA 1.0 1.7 5.5 322 267 A 94 LEU H A 2 ASP H 1.0 1.7 5.5 323 268 A 85 ILE H A 84 GLY HAy 1.0 1.7 3.0 324 269 A 69 GLU H A 84 GLY HAx 1.0 1.7 5.5 325 270 A 90 GLU H A 90 GLU HG2 1.0 1.7 4.0 326 270 A 90 GLU H A 90 GLU HG3 1.0 1.7 4.0 327 271 A 39 LYS H A 58 THR HG2% 1.0 1.7 6.0 328 272 A 12 GLN H A 12 GLN HA 1.0 1.7 4.0 329 273 A 70 ASN HD2y A 73 LYS HA 1.0 1.7 4.0 330 274 A 53 LYS H A 53 LYS HB2 1.0 1.7 3.0 331 274 A 53 LYS H A 53 LYS HB3 1.0 1.7 3.0 332 275 A 9 ILE H A 8 LYS HB2 1.0 1.7 4.0 333 275 A 9 ILE H A 8 LYS HB3 1.0 1.7 4.0 334 276 A 100 LYS H A 97 TYR H 1.0 1.7 5.5 335 277 A 17 CYS H A 16 GLN HGx 1.0 1.7 5.5 336 278 A 2 ASP H A 4 GLU H 1.0 1.7 5.5 337 279 A 9 ILE HG2% A 13 LYS H 1.0 1.7 6.0 338 280 A 77 GLY H A 72 LYS HG2 1.0 1.7 5.5 339 280 A 77 GLY H A 72 LYS HG3 1.0 1.7 5.5 340 281 A 65 MET H A 64 LEU HD1% 1.0 1.7 6.0 341 282 A 65 MET HA A 67 TYR H 1.0 1.7 4.0 342 283 A 66 GLU H A 67 TYR HA 1.0 1.7 5.5 343 284 A 53 LYS H A 54 ASN HA 1.0 1.7 5.5 344 285 A 63 THR H A 62 GLU H 1.0 1.7 4.0 345 286 A 35 LEU H A 35 LEU HG 1.0 1.7 5.5 346 287 A 34 GLY H A 36 PHE H 1.0 1.7 5.5 347 288 A 102 THR HA A 102 THR H 1.0 1.7 4.0 348 289 A 12 GLN H A 9 ILE H 1.0 1.7 5.5 349 290 A 78 THR HA A 78 THR H 1.0 1.7 3.0 350 291 A 14 CYS H A 14 CYS HBx 1.0 1.7 4.0 351 292 A 12 GLN H A 11 VAL H 1.0 1.7 4.0 352 293 A 49 THR H A 51 ALA H 1.0 1.7 5.5 353 294 A 46 PHE H A 45 GLY HAx 1.0 1.7 5.5 354 295 A 42 GLN H A 43 ALA H 1.0 1.7 4.0 355 296 A 85 ILE HG2% A 86 LYS H 1.0 1.7 6.0 356 297 A 101 ALA HA A 102 THR H 1.0 1.7 4.0 357 298 A 49 THR HB A 51 ALA H 1.0 1.7 3.0 358 299 A 11 VAL H A 10 PHE HBx 1.0 1.7 4.0 359 300 A 11 VAL H A 11 VAL HG2% 1.0 1.7 4.5 360 301 A 12 GLN H A 11 VAL HA 1.0 1.7 4.0 361 302 A 64 LEU H A 67 TYR H 1.0 1.7 5.5 362 303 A 87 LYS H A 85 ILE HG2% 1.0 1.7 6.0 363 304 A 66 GLU H A 66 GLU HGy 1.0 1.7 5.5 364 305 A 25 LYS H A 19 THR HG2% 1.0 1.7 4.5 365 306 A 98 LEU H A 98 LEU HD2% 1.0 1.7 6.0 366 307 A 42 GLN HA A 42 GLN H 1.0 1.7 4.0 367 308 A 11 VAL H A 11 VAL HG1% 1.0 1.7 4.5 368 309 A 94 LEU H A 93 ASP HB2 1.0 1.7 5.5 369 309 A 94 LEU H A 93 ASP HB3 1.0 1.7 5.5 370 310 A 69 GLU H A 84 GLY HAy 1.0 1.7 5.5 371 311 A 9 ILE H A 10 PHE H 1.0 1.7 4.0 372 312 A 101 ALA H A 102 THR HG2% 1.0 1.7 5.0 373 313 A 3 VAL H A 2 ASP HA 1.0 1.7 3.5 374 314 A 97 TYR H A 97 TYR HD2 1.0 1.7 5.5 375 315 A 82 PHE H A 81 ILE HA 1.0 1.7 3.0 376 316 A 100 LYS H A 98 LEU HA 1.0 1.7 5.5 377 317 A 103 ASN H A 104 GLU HA 1.0 1.7 5.5 378 318 A 64 LEU H A 63 THR HB 1.0 1.7 4.0 379 319 A 37 GLY H A 37 GLY HAx 1.0 1.7 3.0 380 320 A 2 ASP H A 96 ALA HB% 1.0 1.7 6.0 381 321 A 19 THR H A 19 THR HA 1.0 1.7 5.5 382 322 A 12 GLN H A 11 VAL HG2% 1.0 1.7 4.5 383 323 A 72 LYS H A 73 LYS H 1.0 1.7 3.0 384 324 A 69 GLU H A 69 GLU HG2 1.0 1.7 4.0 385 324 A 69 GLU H A 69 GLU HG3 1.0 1.7 4.0 386 325 A 70 ASN H A 71 PRO HDx 1.0 1.7 5.5 387 326 A 99 LYS H A 95 ILE HA 1.0 1.7 5.5 388 327 A 29 GLY H A 17 CYS HA 1.0 1.7 5.5 389 328 A 99 LYS H A 98 LEU HB2 1.0 1.7 5.5 390 328 A 99 LYS H A 98 LEU HB3 1.0 1.7 5.5 391 329 A 62 GLU H A 62 GLU HG2 1.0 1.7 3.0 392 329 A 62 GLU H A 62 GLU HG3 1.0 1.7 3.0 393 330 A 64 LEU H A 67 TYR HBy 1.0 1.7 5.5 394 331 A 48 TYR HA A 49 THR H 1.0 1.7 3.0 395 332 A 54 ASN H A 54 ASN HD2y 1.0 1.7 5.5 396 333 A 70 ASN HB2 A 73 LYS H 1.0 1.7 5.0 397 334 A 23 GLY H A 22 LYS HB2 1.0 1.7 5.5 398 334 A 23 GLY H A 22 LYS HB3 1.0 1.7 5.5 399 335 A 67 TYR H A 66 GLU HA 1.0 1.7 4.0 400 336 A 53 LYS H A 54 ASN H 1.0 1.7 3.0 401 337 A 46 PHE H A 45 GLY HAy 1.0 1.7 4.0 402 338 A 49 THR H A 79 LYS H 1.0 1.7 5.5 403 339 A 60 LYS H A 59 TRP H 1.0 1.7 5.5 404 340 A 103 ASN HBy A 103 ASN H 1.0 1.7 4.0 405 341 A 12 GLN H A 13 LYS HB2 1.0 1.7 5.5 406 341 A 12 GLN H A 13 LYS HB3 1.0 1.7 5.5 407 342 A 23 GLY H A 22 LYS HD2 1.0 1.7 5.5 408 342 A 23 GLY H A 22 LYS HD3 1.0 1.7 5.5 409 343 A 100 LYS H A 102 THR H 1.0 1.7 4.0 410 344 A 64 LEU H A 63 THR H 1.0 1.7 3.0 411 345 A 41 GLY H A 40 THR HG2% 1.0 1.7 6.0 412 346 A 17 CYS H A 17 CYS HBy 1.0 1.7 4.0 413 347 A 104 GLU H A 22 LYS HB2 1.0 1.7 5.5 414 347 A 104 GLU H A 22 LYS HB3 1.0 1.7 5.5 415 348 A 63 THR H A 61 GLU H 1.0 1.7 5.5 416 349 A 93 ASP H A 92 GLU HB2 1.0 1.7 5.5 417 349 A 93 ASP H A 92 GLU HB3 1.0 1.7 5.5 418 350 A 59 TRP HE1 A 42 GLN H 1.0 1.7 5.5 419 351 A 49 THR H A 48 TYR HBy 1.0 1.7 4.0 420 352 A 21 GLU H A 20 VAL H 1.0 1.7 4.0 421 353 A 79 LYS H A 78 THR HG2% 1.0 1.7 6.0 422 354 A 50 ASP H A 50 ASP HA 1.0 1.7 3.0 423 355 A 56 GLY H A 56 GLY HA3 1.0 1.7 3.0 424 356 A 85 ILE H A 85 ILE HD1% 1.0 1.7 6.0 425 357 A 6 GLY H A 9 ILE HD1% 1.0 1.7 6.0 426 358 A 12 GLN HE2y A 12 GLN HA 1.0 1.7 5.5 427 359 A 8 LYS H A 5 LYS HA 1.0 1.7 3.0 428 360 A 61 GLU H A 36 PHE HE1 1.0 1.7 5.5 429 361 A 6 GLY H A 6 GLY HAx 1.0 1.7 4.0 430 362 A 54 ASN H A 51 ALA HA 1.0 1.7 4.0 431 363 A 31 ASN H A 30 PRO HB3 1.0 1.7 5.5 432 364 A 22 LYS H A 21 GLU HB2 1.0 1.7 4.0 433 364 A 22 LYS H A 21 GLU HB3 1.0 1.7 4.0 434 365 A 4 GLU H A 3 VAL HA 1.0 1.7 5.5 435 366 A 67 TYR H A 66 GLU HBx 1.0 1.7 4.0 436 367 A 37 GLY H A 37 GLY HAy 1.0 1.7 3.0 437 368 A 48 TYR H A 49 THR H 1.0 1.7 5.5 438 369 A 51 ALA HB% A 51 ALA H 1.0 1.7 4.0 439 370 A 94 LEU H A 94 LEU HBy 1.0 1.7 3.0 440 371 A 16 GLN H A 15 ALA HA 1.0 1.7 5.5 441 372 A 42 GLN H A 42 GLN HG2 1.0 1.7 5.5 442 372 A 42 GLN H A 42 GLN HG3 1.0 1.7 5.5 443 373 A 75 ILE H A 78 THR HG2% 1.0 1.7 6.0 444 374 A 39 LYS H A 39 LYS HB2 1.0 1.7 3.5 445 374 A 39 LYS H A 39 LYS HB3 1.0 1.7 3.5 446 375 A 69 GLU H A 68 LEU HG 1.0 1.7 5.5 447 376 A 25 LYS H A 24 GLY HAx 1.0 1.7 4.0 448 377 A 59 TRP HE1 A 40 THR HA 1.0 1.7 4.0 449 378 A 69 GLU H A 69 GLU HB2 1.0 1.7 4.0 450 378 A 69 GLU HB3 A 69 GLU H 1.0 1.7 4.0 451 379 A 61 GLU H A 62 GLU H 1.0 1.7 5.5 452 380 A 36 PHE H A 34 GLY HAy 1.0 1.7 5.5 453 381 A 58 THR H A 57 ILE HG12 1.0 1.7 5.5 454 382 A 52 ASN H A 52 ASN HB2 1.0 1.7 3.0 455 382 A 52 ASN H A 52 ASN HB3 1.0 1.7 3.0 456 383 A 68 LEU H A 68 LEU HB3 1.0 1.7 5.5 457 383 A 68 LEU H A 68 LEU HB2 1.0 1.7 5.5 458 384 A 98 LEU H A 98 LEU HG 1.0 1.7 4.0 459 385 A 22 LYS H A 104 GLU HA 1.0 1.7 5.5 460 386 A 2 ASP H A 2 ASP HA 1.0 1.7 5.5 461 387 A 35 LEU H A 35 LEU HD2% 1.0 1.7 6.0 462 388 A 36 PHE H A 36 PHE HBx 1.0 1.7 4.0 463 389 A 15 ALA HB% A 16 GLN H 1.0 1.7 6.0 464 390 A 94 LEU H A 95 ILE H 1.0 1.7 4.0 465 391 A 53 LYS H A 53 LYS HA 1.0 1.7 4.0 466 392 A 97 TYR HBx A 97 TYR H 1.0 1.7 4.0 467 393 A 13 LYS H A 13 LYS HB2 1.0 1.7 4.0 468 393 A 13 LYS H A 13 LYS HB3 1.0 1.7 4.0 469 394 A 40 THR H A 41 GLY H 1.0 1.7 5.5 470 395 A 15 ALA HB% A 15 ALA H 1.0 1.7 4.5 471 396 A 48 TYR H A 48 TYR HBx 1.0 1.7 4.0 472 397 A 6 GLY H A 3 VAL HA 1.0 1.7 4.0 473 398 A 64 LEU H A 66 GLU H 1.0 1.7 5.5 474 399 A 55 LYS H A 54 ASN H 1.0 1.7 4.0 475 400 A 100 LYS H A 99 LYS HG2 1.0 1.7 5.5 476 400 A 100 LYS H A 99 LYS HG3 1.0 1.7 5.5 477 401 A 94 LEU H A 94 LEU HD1% 1.0 1.7 5.5 478 402 A 65 MET H A 65 MET HGy 1.0 1.7 3.5 479 403 A 40 THR HA A 41 GLY H 1.0 1.7 4.0 480 404 A 55 LYS H A 55 LYS HDx 1.0 1.7 5.5 481 404 A 55 LYS H A 55 LYS HDy 1.0 1.7 5.5 482 405 A 59 TRP H A 58 THR HG2% 1.0 1.7 6.0 483 406 A 75 ILE HG2% A 52 ASN H 1.0 1.7 6.0 484 407 A 101 ALA H A 100 LYS HB2 1.0 1.7 4.0 485 407 A 101 ALA H A 100 LYS HB3 1.0 1.7 4.0 486 408 A 99 LYS H A 99 LYS HB2 1.0 1.7 4.0 487 408 A 99 LYS H A 99 LYS HB3 1.0 1.7 4.0 488 409 A 54 ASN H A 53 LYS HB2 1.0 1.7 4.0 489 409 A 54 ASN H A 53 LYS HB3 1.0 1.7 4.0 490 410 A 58 THR H A 57 ILE HA 1.0 1.7 3.0 491 411 A 87 LYS H A 90 GLU HG2 1.0 1.7 4.0 492 411 A 87 LYS H A 90 GLU HG3 1.0 1.7 4.0 493 412 A 34 GLY H A 33 HIS H 1.0 1.7 5.5 494 413 A 25 LYS H A 25 LYS HA 1.0 1.7 3.5 495 414 A 52 ASN HA A 53 LYS H 1.0 1.7 5.5 496 415 A 52 ASN H A 78 THR H 1.0 1.7 5.5 497 416 A 54 ASN HD2x A 54 ASN HD2y 1.0 1.7 3.0 498 417 A 57 ILE H A 56 GLY H 1.0 1.7 4.0 499 418 A 104 GLU H A 103 ASN HBy 1.0 1.7 4.0 500 419 A 100 LYS H A 101 ALA HB% 1.0 1.7 6.0 501 420 A 89 THR H A 90 GLU HB2 1.0 1.7 5.5 502 420 A 89 THR H A 90 GLU HB3 1.0 1.7 5.5 503 421 A 12 GLN H A 14 CYS H 1.0 1.7 4.0 504 422 A 14 CYS H A 94 LEU HD1% 1.0 1.7 6.0 505 423 A 23 GLY HAx A 23 GLY H 1.0 1.7 5.5 506 424 A 63 THR HA A 66 GLU H 1.0 1.7 4.0 507 425 A 7 LYS HA A 8 LYS H 1.0 1.7 4.0 508 426 A 56 GLY H A 57 ILE HG2% 1.0 1.7 6.0 509 427 A 54 ASN HBx A 54 ASN H 1.0 1.7 3.0 510 428 A 100 LYS H A 99 LYS HE2 1.0 1.7 5.5 511 428 A 100 LYS H A 99 LYS HE3 1.0 1.7 5.5 512 429 A 100 LYS H A 103 ASN H 1.0 1.7 5.5 513 430 A 64 LEU H A 67 TYR HBx 1.0 1.7 5.5 514 431 A 38 ARG H A 37 GLY HAy 1.0 1.7 3.0 515 432 A 12 GLN H A 12 GLN HB2 1.0 1.7 4.0 516 432 A 12 GLN H A 12 GLN HB3 1.0 1.7 4.0 517 433 A 78 THR H A 78 THR HG2% 1.0 1.7 4.5 518 434 A 10 PHE H A 9 ILE HG2% 1.0 1.7 6.0 519 435 A 104 GLU H A 103 ASN HA 1.0 1.7 3.5 520 436 A 24 GLY H A 21 GLU HG2 1.0 1.7 4.0 521 436 A 24 GLY H A 21 GLU HG3 1.0 1.7 4.0 522 437 A 99 LYS H A 95 ILE HG2% 1.0 1.7 6.0 523 438 A 97 TYR H A 95 ILE HB 1.0 1.7 5.5 524 439 A 15 ALA HB% A 14 CYS H 1.0 1.7 6.0 525 440 A 8 LYS H A 8 LYS HB2 1.0 1.7 3.0 526 440 A 8 LYS H A 8 LYS HB3 1.0 1.7 3.0 527 441 A 15 ALA H A 16 GLN H 1.0 1.7 4.0 528 442 A 8 LYS H A 7 LYS HD2 1.0 1.7 5.5 529 442 A 8 LYS H A 7 LYS HD3 1.0 1.7 5.5 530 443 A 2 ASP H A 3 VAL H 1.0 1.7 4.0 531 444 A 48 TYR H A 46 PHE HA 1.0 1.7 5.5 532 445 A 63 THR H A 62 GLU HA 1.0 1.7 4.0 533 446 A 62 GLU H A 62 GLU HB2 1.0 1.7 3.5 534 446 A 62 GLU H A 62 GLU HB3 1.0 1.7 3.5 535 447 A 38 ARG H A 38 ARG HA 1.0 1.7 3.0 536 448 A 41 GLY H A 41 GLY HAx 1.0 1.7 4.0 537 449 A 68 LEU H A 67 TYR HBy 1.0 1.7 5.5 538 450 A 70 ASN HD2y A 70 ASN HD2x 1.0 1.7 4.0 539 451 A 62 GLU H A 60 LYS HE2 1.0 1.7 5.5 540 451 A 60 LYS HE3 A 62 GLU H 1.0 1.7 5.5 541 452 A 22 LYS H A 21 GLU HG2 1.0 1.7 5.5 542 452 A 22 LYS H A 21 GLU HG3 1.0 1.7 5.5 543 453 A 73 LYS H A 72 LYS HG2 1.0 1.7 5.5 544 453 A 73 LYS H A 72 LYS HG3 1.0 1.7 5.5 545 454 A 57 ILE H A 57 ILE HD1% 1.0 1.7 6.0 546 455 A 2 ASP H A 1 GLY HAx 1.0 1.7 4.0 547 456 A 51 ALA HB% A 53 LYS H 1.0 1.7 6.0 548 457 A 55 LYS HA A 56 GLY H 1.0 1.7 5.5 549 458 A 3 VAL H A 3 VAL HA 1.0 1.7 4.0 550 459 A 5 LYS H A 3 VAL H 1.0 1.7 5.5 551 460 A 57 ILE H A 55 LYS HB2 1.0 1.7 5.5 552 460 A 57 ILE H A 55 LYS HB3 1.0 1.7 5.5 553 461 A 8 LYS H A 8 LYS HD2 1.0 1.7 5.5 554 461 A 8 LYS HD3 A 8 LYS H 1.0 1.7 5.5 555 462 A 92 GLU HA A 93 ASP H 1.0 1.7 5.5 556 463 A 12 GLN HE2y A 12 GLN HGx 1.0 1.7 5.5 557 464 A 19 THR HB A 25 LYS H 1.0 1.7 5.5 558 465 A 20 VAL H A 20 VAL HA 1.0 1.7 5.5 559 466 A 94 LEU H A 6 GLY HAx 1.0 1.7 4.0 560 467 A 80 MET H A 72 LYS HE2 1.0 1.7 5.5 561 467 A 80 MET H A 72 LYS HE3 1.0 1.7 5.5 562 468 A 75 ILE H A 76 PRO HDy 1.0 1.7 5.5 563 468 A 75 ILE H A 76 PRO HDx 1.0 1.7 5.5 564 469 A 36 PHE H A 36 PHE HBy 1.0 1.7 3.0 565 470 A 6 GLY H A 6 GLY HAy 1.0 1.7 3.0 566 471 A 8 LYS H A 8 LYS HG2 1.0 1.7 5.5 567 471 A 8 LYS H A 8 LYS HG3 1.0 1.7 5.5 568 472 A 99 LYS H A 99 LYS HD2 1.0 1.7 5.5 569 472 A 99 LYS H A 99 LYS HD3 1.0 1.7 5.5 570 473 A 97 TYR HBy A 97 TYR H 1.0 1.7 3.0 571 474 A 78 THR HA A 52 ASN H 1.0 1.7 5.5 572 475 A 15 ALA HB% A 13 LYS H 1.0 1.7 6.0 573 476 A 59 TRP H A 59 TRP HA 1.0 1.7 4.0 574 477 A 59 TRP HE1 A 59 TRP HBx 1.0 1.7 5.5 575 478 A 92 GLU HA A 95 ILE H 1.0 1.7 5.5 576 479 A 4 GLU H A 4 GLU HGy 1.0 1.7 3.5 577 479 A 4 GLU H A 4 GLU HGx 1.0 1.7 3.5 578 480 A 32 LEU H A 33 HIS H 1.0 1.7 3.0 579 481 A 62 GLU H A 62 GLU HA 1.0 1.7 3.0 580 482 A 16 GLN HE21 A 16 GLN HE22 1.0 1.7 3.0 581 483 A 9 ILE H A 9 ILE HB 1.0 1.7 3.5 582 484 A 42 GLN HA A 43 ALA H 1.0 1.7 4.0 583 485 A 65 MET HA A 66 GLU H 1.0 1.7 4.0 584 486 A 53 LYS H A 50 ASP HA 1.0 1.7 4.0 585 487 A 102 THR HA A 34 GLY H 1.0 1.7 5.5 586 488 A 100 LYS H A 100 LYS HA 1.0 1.7 3.0 587 489 A 103 ASN HBx A 103 ASN H 1.0 1.7 4.0 588 490 A 72 LYS H A 72 LYS HD2 1.0 1.7 5.5 589 490 A 72 LYS HD3 A 72 LYS H 1.0 1.7 5.5 590 491 A 75 ILE H A 75 ILE HD1% 1.0 1.7 4.5 591 492 A 4 GLU H A 4 GLU HB2 1.0 1.7 3.5 592 492 A 4 GLU H A 4 GLU HB3 1.0 1.7 3.5 593 493 A 103 ASN H A 103 ASN HD2y 1.0 1.7 5.5 594 494 A 40 THR HA A 42 GLN H 1.0 1.7 5.5 595 495 A 14 CYS H A 14 CYS HA 1.0 1.7 4.0 596 496 A 68 LEU H A 69 GLU HB2 1.0 1.7 5.5 597 496 A 69 GLU HB3 A 68 LEU H 1.0 1.7 5.5 598 497 A 38 ARG H A 36 PHE HA 1.0 1.7 4.0 599 498 A 98 LEU H A 95 ILE HA 1.0 1.7 5.5 600 499 A 70 ASN HD2x A 70 ASN HBy 1.0 1.7 5.5 601 499 A 70 ASN HB2 A 70 ASN HD2x 1.0 1.7 5.5 602 500 A 64 LEU H A 61 GLU HA 1.0 1.7 5.5 603 501 A 55 LYS H A 53 LYS H 1.0 1.7 4.0 604 502 A 42 GLN HE2x A 42 GLN HE2y 1.0 1.7 3.0 605 503 A 37 GLY H A 58 THR HG2% 1.0 1.7 6.0 606 504 A 40 THR H A 39 LYS HG2 1.0 1.7 5.5 607 504 A 40 THR H A 39 LYS HG3 1.0 1.7 5.5 608 505 A 59 TRP H A 59 TRP HBy 1.0 1.7 3.0 609 506 A 99 LYS H A 96 ALA HA 1.0 1.7 4.0 610 507 A 65 MET H A 95 ILE HG2% 1.0 1.7 6.0 611 508 A 12 GLN H A 11 VAL HB 1.0 1.7 4.0 612 509 A 55 LYS H A 54 ASN HD2y 1.0 1.7 4.0 613 510 A 39 LYS H A 39 LYS HG2 1.0 1.7 5.0 614 510 A 39 LYS H A 39 LYS HG3 1.0 1.7 5.0 615 511 A 2 ASP H A 2 ASP HBy 1.0 1.7 4.0 616 512 A 80 MET H A 79 LYS H 1.0 1.7 5.5 617 513 A 81 ILE H A 81 ILE HB 1.0 1.7 4.0 618 514 A 34 GLY H A 34 GLY HAy 1.0 1.7 3.0 619 515 A 31 ASN H A 31 ASN HBy 1.0 1.7 4.0 620 516 A 10 PHE H A 8 LYS HA 1.0 1.7 4.0 621 517 A 54 ASN HD2y A 54 ASN HBy 1.0 1.7 5.5 622 518 A 81 ILE H A 80 MET HA 1.0 1.7 4.0 623 519 A 93 ASP H A 89 THR HG2% 1.0 1.7 6.0 624 520 A 63 THR HA A 63 THR H 1.0 1.7 3.0 625 521 A 23 GLY H A 22 LYS HG2 1.0 1.7 5.5 626 521 A 23 GLY H A 22 LYS HG3 1.0 1.7 5.5 627 522 A 74 TYR H A 74 TYR HA 1.0 1.7 3.5 628 523 A 85 ILE HA A 86 LYS H 1.0 1.7 4.0 629 524 A 97 TYR H A 97 TYR HA 1.0 1.7 3.0 630 525 A 69 GLU H A 67 TYR HA 1.0 1.7 4.0 631 526 A 22 LYS HA A 23 GLY H 1.0 1.7 4.0 632 527 A 18 HIS H A 16 GLN HBx 1.0 1.7 5.5 633 528 A 20 VAL H A 20 VAL HG2% 1.0 1.7 6.0 634 529 A 49 THR H A 49 THR HG2% 1.0 1.7 4.5 635 530 A 100 LYS H A 98 LEU H 1.0 1.7 5.5 636 531 A 89 THR H A 89 THR HG2% 1.0 1.7 4.5 637 532 A 40 THR H A 75 ILE HD1% 1.0 1.7 6.0 638 533 A 6 GLY H A 8 LYS H 1.0 1.7 5.5 639 534 A 10 PHE H A 10 PHE HBy 1.0 1.7 3.0 640 535 A 104 GLU H A 101 ALA HA 1.0 1.7 5.5 641 536 A 52 ASN H A 49 THR H 1.0 1.7 5.5 642 537 A 103 ASN HBx A 103 ASN HD2y 1.0 1.7 4.0 643 538 A 25 LYS H A 24 GLY HAy 1.0 1.7 3.0 644 539 A 63 THR H A 62 GLU HG2 1.0 1.7 5.5 645 539 A 63 THR H A 62 GLU HG3 1.0 1.7 5.5 646 540 A 94 LEU H A 91 ARG HA 1.0 1.7 5.5 647 541 A 15 ALA H A 11 VAL HA 1.0 1.7 4.0 648 542 A 68 LEU H A 64 LEU HB2 1.0 1.7 5.5 649 542 A 64 LEU HB3 A 68 LEU H 1.0 1.7 5.5 650 543 A 16 GLN HE22 A 16 GLN HGy 1.0 1.7 5.5 651 543 A 16 GLN HGx A 16 GLN HE22 1.0 1.7 5.5 652 544 A 86 LYS H A 85 ILE HD1% 1.0 1.7 6.0 653 545 A 61 GLU H A 60 LYS HB2 1.0 1.7 4.0 654 545 A 61 GLU H A 60 LYS HB3 1.0 1.7 4.0 655 546 A 58 THR HA A 59 TRP H 1.0 1.7 3.0 656 547 A 52 ASN H A 51 ALA HA 1.0 1.7 4.0 657 548 A 9 ILE H A 9 ILE HD1% 1.0 1.7 6.0 658 549 A 93 ASP H A 92 GLU HG2 1.0 1.7 5.5 659 549 A 92 GLU HG3 A 93 ASP H 1.0 1.7 5.5 660 550 A 32 LEU H A 32 LEU HD1% 1.0 1.7 6.0 661 551 A 26 HIS H A 25 LYS HB2 1.0 1.7 4.0 662 551 A 26 HIS H A 25 LYS HB3 1.0 1.7 4.0 663 552 A 67 TYR HBx A 68 LEU H 1.0 1.7 5.5 664 553 A 99 LYS HA A 99 LYS H 1.0 1.7 4.0 665 554 A 13 LYS H A 12 GLN HA 1.0 1.7 5.5 666 555 A 57 ILE H A 56 GLY HA3 1.0 1.7 5.5 667 555 A 57 ILE H A 56 GLY HA2 1.0 1.7 5.5 668 556 A 102 THR H A 103 ASN H 1.0 1.7 3.0 669 557 A 91 ARG HA A 93 ASP H 1.0 1.7 5.5 670 558 A 24 GLY H A 24 GLY HAy 1.0 1.7 3.0 671 559 A 64 LEU H A 64 LEU HD2% 1.0 1.7 6.0 672 560 A 98 LEU H A 98 LEU HA 1.0 1.7 4.0 673 561 A 35 LEU H A 36 PHE H 1.0 1.7 3.0 674 562 A 102 THR H A 98 LEU HA 1.0 1.7 5.5 675 563 A 42 GLN H A 38 ARG HD2 1.0 1.7 5.5 676 563 A 42 GLN H A 38 ARG HD3 1.0 1.7 5.5 677 564 A 37 GLY H A 36 PHE H 1.0 1.7 5.5 678 565 A 70 ASN H A 72 LYS H 1.0 1.7 5.5 679 566 A 66 GLU H A 95 ILE HD1% 1.0 1.7 6.0 680 567 A 32 LEU H A 32 LEU HG 1.0 1.7 4.0 681 568 A 34 GLY H A 34 GLY HAx 1.0 1.7 3.0 682 569 A 40 THR H A 40 THR HB 1.0 1.7 4.0 683 570 A 73 LYS HA A 70 ASN HD2x 1.0 1.7 5.5 684 571 A 58 THR H A 59 TRP H 1.0 1.7 5.5 685 572 A 81 ILE H A 81 ILE HD1% 1.0 1.7 6.0 686 573 A 15 ALA H A 15 ALA HA 1.0 1.7 4.0 687 574 A 101 ALA H A 103 ASN H 1.0 1.7 4.0 688 575 A 78 THR HA A 79 LYS H 1.0 1.7 5.5 689 576 A 12 GLN H A 9 ILE HA 1.0 1.7 4.0 690 577 A 63 THR HA A 64 LEU H 1.0 1.7 4.0 691 578 A 94 LEU H A 92 GLU HA 1.0 1.7 5.5 692 579 A 5 LYS H A 5 LYS HA 1.0 1.7 3.5 693 580 A 91 ARG H A 91 ARG HD2 1.0 1.7 5.5 694 580 A 91 ARG H A 91 ARG HD3 1.0 1.7 5.5 695 581 A 54 ASN H A 54 ASN HBy 1.0 1.7 4.0 696 582 A 94 LEU H A 93 ASP H 1.0 1.7 3.0 697 583 A 85 ILE H A 70 ASN H 1.0 1.7 4.0 698 584 A 7 LYS H A 97 TYR HD1 1.0 1.7 5.5 699 585 A 65 MET H A 64 LEU HD2% 1.0 1.7 6.0 700 586 A 7 LYS H A 3 VAL HG2% 1.0 1.7 5.2 701 587 A 78 THR HA A 49 THR H 1.0 1.7 5.5 702 588 A 35 LEU H A 32 LEU HA 1.0 1.7 5.5 703 589 A 20 VAL H A 19 THR HG2% 1.0 1.7 6.0 704 590 A 7 LYS H A 8 LYS H 1.0 1.7 4.0 705 591 A 25 LYS H A 25 LYS HD2 1.0 1.7 5.5 706 591 A 25 LYS H A 25 LYS HD3 1.0 1.7 5.5 707 592 A 67 TYR H A 64 LEU HA 1.0 1.7 3.5 708 593 A 26 HIS HBx A 26 HIS H 1.0 1.7 5.5 709 594 A 56 GLY H A 55 LYS HB2 1.0 1.7 5.5 710 594 A 56 GLY H A 55 LYS HB3 1.0 1.7 5.5 711 595 A 95 ILE H A 96 ALA HB% 1.0 1.7 5.5 712 596 A 14 CYS H A 10 PHE HA 1.0 1.7 4.0 713 597 A 39 LYS H A 38 ARG HA 1.0 1.7 3.5 714 598 A 104 GLU H A 104 GLU HG2 1.0 1.7 4.0 715 598 A 104 GLU H A 104 GLU HG3 1.0 1.7 4.0 716 599 A 6 GLY H A 97 TYR HBx 1.0 1.7 5.5 717 600 A 6 GLY H A 93 ASP HB2 1.0 1.7 4.0 718 600 A 6 GLY H A 93 ASP HB3 1.0 1.7 4.0 719 601 A 3 VAL H A 3 VAL HB 1.0 1.7 3.0 720 602 A 9 ILE H A 7 LYS H 1.0 1.7 5.5 721 603 A 22 LYS H A 22 LYS HB2 1.0 1.7 4.0 722 603 A 22 LYS H A 22 LYS HB3 1.0 1.7 4.0 723 604 A 104 GLU H A 104 GLU HB2 1.0 1.7 4.0 724 604 A 104 GLU H A 104 GLU HB3 1.0 1.7 4.0 725 605 A 2 ASP H A 5 LYS HB2 1.0 1.7 5.5 726 605 A 2 ASP H A 5 LYS HB3 1.0 1.7 5.5 727 606 A 59 TRP H A 39 LYS HA 1.0 1.7 4.0 728 607 A 64 LEU H A 60 LYS H 1.0 1.7 5.5 729 608 A 96 ALA H A 96 ALA HA 1.0 1.7 3.0 730 609 A 64 LEU H A 64 LEU HD1% 1.0 1.7 6.0 731 610 A 67 TYR HBx A 69 GLU H 1.0 1.7 5.5 732 611 A 12 GLN HE2x A 12 GLN HGy 1.0 1.7 4.0 733 612 A 42 GLN H A 41 GLY HAx 1.0 1.7 5.5 734 613 A 31 ASN H A 31 ASN HA 1.0 1.7 4.0 735 614 A 87 LYS H A 86 LYS H 1.0 1.7 3.0 736 615 A 89 THR HB A 93 ASP H 1.0 1.7 4.0 737 616 A 74 TYR H A 73 LYS HA 1.0 1.7 5.5 738 617 A 70 ASN H A 70 ASN HB2 1.0 1.7 4.0 739 618 A 27 LYS H A 27 LYS HA 1.0 1.7 4.0 740 619 A 96 ALA H A 95 ILE H 1.0 1.7 4.0 741 620 A 81 ILE H A 72 LYS HE2 1.0 1.7 5.5 742 620 A 81 ILE H A 72 LYS HE3 1.0 1.7 5.5 743 621 A 70 ASN H A 68 LEU HB3 1.0 1.7 5.5 744 621 A 70 ASN H A 68 LEU HB2 1.0 1.7 5.5 745 622 A 69 GLU H A 68 LEU HB3 1.0 1.7 5.5 746 622 A 69 GLU H A 68 LEU HB2 1.0 1.7 5.5 747 623 A 35 LEU H A 34 GLY HAx 1.0 1.7 3.0 748 624 A 38 ARG H A 36 PHE H 1.0 1.7 5.5 749 625 A 36 PHE HD1 A 61 GLU H 1.0 1.7 5.5 750 625 A 61 GLU H A 36 PHE HD2 1.0 1.7 5.5 751 626 A 42 GLN HE2y A 42 GLN HG2 1.0 1.7 4.0 752 626 A 42 GLN HE2y A 42 GLN HG3 1.0 1.7 4.0 753 627 A 87 LYS H A 90 GLU H 1.0 1.7 5.5 754 628 A 50 ASP H A 49 THR HA 1.0 1.7 3.5 755 629 A 96 ALA H A 96 ALA HB% 1.0 1.7 4.5 756 630 A 91 ARG H A 91 ARG HA 1.0 1.7 4.0 757 631 A 54 ASN H A 54 ASN HA 1.0 1.7 3.0 758 632 A 19 THR HB A 19 THR H 1.0 1.7 5.5 759 633 A 63 THR H A 66 GLU H 1.0 1.7 5.5 760 634 A 12 GLN HE2y A 12 GLN HGy 1.0 1.7 4.0 761 635 A 15 ALA H A 13 LYS H 1.0 1.7 4.0 762 636 A 5 LYS H A 5 LYS HB2 1.0 1.7 5.5 763 636 A 5 LYS H A 5 LYS HB3 1.0 1.7 5.5 764 637 A 20 VAL H A 32 LEU HB2 1.0 1.7 5.5 765 638 A 77 GLY H A 76 PRO HA 1.0 1.7 3.0 766 639 A 74 TYR H A 76 PRO HDy 1.0 1.7 5.5 767 640 A 49 THR H A 53 LYS H 1.0 1.7 5.5 768 641 A 67 TYR H A 66 GLU HBy 1.0 1.7 5.5 769 642 A 63 THR H A 62 GLU HB2 1.0 1.7 4.0 770 642 A 63 THR H A 62 GLU HB3 1.0 1.7 4.0 771 643 A 35 LEU HD1% A 36 PHE H 1.0 1.7 6.0 772 644 A 8 LYS H A 8 LYS HE2 1.0 1.7 5.5 773 644 A 8 LYS H A 8 LYS HE3 1.0 1.7 5.5 774 645 A 31 ASN H A 46 PHE HBy 1.0 1.7 5.5 775 646 A 68 LEU H A 68 LEU HG 1.0 1.7 4.0 776 647 A 22 LYS H A 104 GLU H 1.0 1.7 5.5 777 648 A 58 THR H A 57 ILE HG2% 1.0 1.7 4.5 778 649 A 57 ILE H A 57 ILE HA 1.0 1.7 4.0 779 650 A 74 TYR H A 74 TYR HBy 1.0 1.7 3.0 780 651 A 40 THR H A 39 LYS HA 1.0 1.7 3.5 781 652 A 15 ALA HB% A 18 HIS H 1.0 1.7 6.0 782 653 A 42 GLN H A 43 ALA HA 1.0 1.7 5.5 783 654 A 47 THR H A 47 THR HB 1.0 1.7 4.0 784 655 A 80 MET H A 79 LYS HA 1.0 1.7 5.5 785 656 A 50 ASP H A 50 ASP HB2 1.0 1.7 4.0 786 656 A 50 ASP H A 50 ASP HB3 1.0 1.7 4.0 787 657 A 103 ASN HD2x A 103 ASN HD2y 1.0 1.7 3.0 788 658 A 60 LYS H A 59 TRP HA 1.0 1.7 3.0 789 659 A 16 GLN H A 14 CYS HA 1.0 1.7 5.5 790 660 A 47 THR H A 46 PHE HA 1.0 1.7 3.0 791 661 A 62 GLU H A 61 GLU HA 1.0 1.7 4.0 792 662 A 89 THR H A 89 THR HA 1.0 1.7 3.0 793 663 A 42 GLN HE2x A 42 GLN HB2 1.0 1.7 4.0 794 663 A 42 GLN HE2x A 42 GLN HB3 1.0 1.7 4.0 795 664 A 31 ASN H A 32 LEU H 1.0 1.7 5.5 796 665 A 104 GLU H A 103 ASN HBx 1.0 1.7 5.5 797 666 A 24 GLY H A 19 THR HB 1.0 1.7 5.5 798 667 A 49 THR H A 50 ASP H 1.0 1.7 5.5 799 668 A 14 CYS H A 13 LYS HB2 1.0 1.7 5.5 800 668 A 14 CYS H A 13 LYS HB3 1.0 1.7 5.5 801 669 A 55 LYS H A 55 LYS HB2 1.0 1.7 4.0 802 669 A 55 LYS H A 55 LYS HB3 1.0 1.7 4.0 803 670 A 60 LYS H A 60 LYS HA 1.0 1.7 4.0 804 671 A 16 GLN H A 16 GLN HBx 1.0 1.7 4.0 805 672 A 19 THR H A 31 ASN HA 1.0 1.7 5.5 806 673 A 11 VAL H A 9 ILE H 1.0 1.7 5.5 807 674 A 75 ILE H A 74 TYR H 1.0 1.7 5.5 808 675 A 49 THR HB A 50 ASP H 1.0 1.7 3.0 809 676 A 8 LYS H A 7 LYS HE2 1.0 1.7 5.5 810 676 A 8 LYS H A 7 LYS HE3 1.0 1.7 5.5 811 677 A 71 PRO HA A 72 LYS H 1.0 1.7 5.5 812 678 A 38 ARG H A 38 ARG HG2 1.0 1.7 4.0 813 678 A 38 ARG H A 38 ARG HG3 1.0 1.7 4.0 814 679 A 38 ARG H A 38 ARG HD2 1.0 1.7 5.5 815 679 A 38 ARG H A 38 ARG HD3 1.0 1.7 5.5 816 680 A 95 ILE H A 68 LEU HD1% 1.0 1.7 6.0 817 681 A 77 GLY H A 78 THR H 1.0 1.7 3.0 818 682 A 59 TRP HE1 A 59 TRP HD1 1.0 1.7 4.0 819 683 A 12 GLN HE2y A 11 VAL HG1% 1.0 1.7 6.0 820 684 A 59 TRP HE1 A 35 LEU HD1% 1.0 1.7 6.0 821 685 A 46 PHE H A 43 ALA HB% 1.0 1.7 6.0 822 686 A 37 GLY H A 36 PHE HBx 1.0 1.7 4.0 823 687 A 73 LYS H A 73 LYS HA 1.0 1.7 4.0 824 688 A 59 TRP H A 57 ILE HD1% 1.0 1.7 6.0 825 689 A 10 PHE H A 94 LEU HD1% 1.0 1.7 6.0 826 690 A 99 LYS H A 97 TYR H 1.0 1.7 5.5 827 691 A 25 LYS H A 25 LYS HB2 1.0 1.7 4.0 828 691 A 25 LYS H A 25 LYS HB3 1.0 1.7 4.0 829 692 A 101 ALA HA A 103 ASN H 1.0 1.7 4.0 830 693 A 103 ASN HBx A 102 THR H 1.0 1.7 5.5 831 694 A 17 CYS H A 17 CYS HBx 1.0 1.7 4.0 832 695 A 60 LYS H A 59 TRP HBy 1.0 1.7 4.0 833 696 A 5 LYS H A 5 LYS HD2 1.0 1.7 5.5 834 696 A 5 LYS H A 5 LYS HD3 1.0 1.7 5.5 835 697 A 63 THR HG2% A 64 LEU H 1.0 1.7 4.5 836 698 A 55 LYS H A 40 THR HG2% 1.0 1.7 6.0 837 699 A 91 ARG H A 85 ILE HD1% 1.0 1.7 6.0 838 700 A 55 LYS H A 54 ASN HBx 1.0 1.7 4.0 839 701 A 12 GLN H A 10 PHE H 1.0 1.7 5.5 840 702 A 73 LYS H A 74 TYR HA 1.0 1.7 5.5 841 703 A 90 GLU H A 89 THR HB 1.0 1.7 5.5 842 704 A 35 LEU H A 34 GLY HAy 1.0 1.7 4.0 843 705 A 64 LEU H A 65 MET HGx 1.0 1.7 4.0 844 706 A 94 LEU H A 94 LEU HA 1.0 1.7 3.0 845 707 A 35 LEU HD1% A 33 HIS H 1.0 1.7 6.0 846 708 A 55 LYS H A 53 LYS HA 1.0 1.7 4.0 847 709 A 100 LYS H A 100 LYS HE2 1.0 1.7 5.5 848 709 A 100 LYS H A 100 LYS HE3 1.0 1.7 5.5 849 710 A 31 ASN H A 31 ASN HBx 1.0 1.7 4.0 850 711 A 37 GLY H A 36 PHE HA 1.0 1.7 3.0 851 712 A 86 LYS H A 86 LYS HG2 1.0 1.7 5.5 852 712 A 86 LYS HG3 A 86 LYS H 1.0 1.7 5.5 853 713 A 97 TYR H A 96 ALA HA 1.0 1.7 4.0 854 714 A 41 GLY H A 40 THR HB 1.0 1.7 4.0 855 715 A 66 GLU H A 66 GLU HBx 1.0 1.7 4.0 856 716 A 7 LYS H A 6 GLY HAx 1.0 1.7 4.0 857 717 A 66 GLU H A 66 GLU HGx 1.0 1.7 3.0 858 718 A 101 ALA H A 102 THR H 1.0 1.7 4.0 859 719 A 103 ASN H A 102 THR HG2% 1.0 1.7 6.0 860 720 A 46 PHE H A 26 HIS HBy 1.0 1.7 5.5 861 721 A 9 ILE H A 9 ILE HG12 1.0 1.7 4.0 862 722 A 68 LEU H A 64 LEU HA 1.0 1.7 4.0 863 723 A 86 LYS H A 86 LYS HB2 1.0 1.7 4.0 864 723 A 86 LYS H A 86 LYS HB3 1.0 1.7 4.0 865 724 A 12 GLN H A 11 VAL HG1% 1.0 1.7 6.0 866 725 A 7 LYS H A 7 LYS HB2 1.0 1.7 3.0 867 725 A 7 LYS H A 7 LYS HB3 1.0 1.7 3.0 868 726 A 95 ILE H A 95 ILE HD1% 1.0 1.7 6.0 869 727 A 104 GLU H A 102 THR H 1.0 1.7 4.0 870 728 A 9 ILE H A 10 PHE HBx 1.0 1.7 5.5 871 729 A 64 LEU H A 64 LEU HA 1.0 1.7 4.0 872 730 A 96 ALA H A 95 ILE HB 1.0 1.7 4.0 873 731 A 54 ASN H A 54 ASN HD2y 1.0 1.7 5.5 874 732 A 51 ALA H A 50 ASP H 1.0 1.7 4.0 875 733 A 6 GLY H A 4 GLU HA 1.0 1.7 5.5 876 734 A 20 VAL H A 19 THR HA 1.0 1.7 4.0 877 735 A 95 ILE H A 95 ILE HB 1.0 1.7 3.0 878 736 A 14 CYS H A 13 LYS H 1.0 1.7 3.0 879 737 A 20 VAL H A 20 VAL HB 1.0 1.7 4.0 880 738 A 98 LEU H A 98 LEU HB2 1.0 1.7 3.0 881 738 A 98 LEU H A 98 LEU HB3 1.0 1.7 3.0 882 739 A 15 ALA H A 16 GLN HGy 1.0 1.7 5.5 883 740 A 103 ASN HD2x A 103 ASN H 1.0 1.7 5.5 884 741 A 82 PHE H A 81 ILE HB 1.0 1.7 5.5 885 742 A 41 GLY HAy A 53 LYS H 1.0 1.7 5.5 886 743 A 95 ILE H A 93 ASP H 1.0 1.7 4.0 887 744 A 69 GLU H A 68 LEU HA 1.0 1.7 5.5 888 745 A 40 THR H A 39 LYS H 1.0 1.7 5.5 889 746 A 57 ILE H A 57 ILE HB 1.0 1.7 4.0 890 747 A 64 LEU H A 95 ILE HD1% 1.0 1.7 6.0 891 748 A 26 HIS H A 26 HIS HBy 1.0 1.7 4.0 892 749 A 75 ILE HG2% A 78 THR H 1.0 1.7 6.0 893 750 A 58 THR H A 58 THR HG2% 1.0 1.7 6.0 894 751 A 57 ILE H A 56 GLY HA3 1.0 1.7 4.0 895 752 A 34 GLY H A 35 LEU HB2 1.0 1.7 5.5 896 752 A 34 GLY H A 35 LEU HB3 1.0 1.7 5.5 897 753 A 80 MET H A 79 LYS H 1.0 1.7 5.5 898 754 A 103 ASN HBy A 103 ASN HD2y 1.0 1.7 4.0 899 755 A 7 LYS H A 8 LYS H 1.0 1.7 3.0 900 756 A 53 LYS H A 52 ASN HB2 1.0 1.7 4.0 901 756 A 53 LYS H A 52 ASN HB3 1.0 1.7 4.0 902 757 A 94 LEU H A 93 ASP HB2 1.0 1.7 4.0 903 757 A 94 LEU H A 93 ASP HB3 1.0 1.7 4.0 904 758 A 103 ASN HD2x A 103 ASN HD2y 1.0 1.7 3.0 905 759 A 10 PHE H A 9 ILE HB 1.0 1.7 3.0 906 760 A 67 TYR H A 66 GLU H 1.0 1.7 3.0 907 761 A 97 TYR H A 94 LEU HD1% 1.0 1.7 6.0 908 762 A 85 ILE H A 86 LYS H 1.0 1.7 5.5 909 763 A 16 GLN HE21 A 16 GLN HE22 1.0 1.7 3.0 910 764 A 26 HIS H A 25 LYS HA 1.0 1.7 3.5 911 765 A 36 PHE H A 99 LYS HG2 1.0 1.7 5.5 912 765 A 99 LYS HG3 A 36 PHE H 1.0 1.7 5.5 913 766 A 87 LYS H A 88 LYS H 1.0 1.7 5.5 914 767 A 65 MET H A 66 GLU H 1.0 1.7 4.0 915 768 A 93 ASP H A 94 LEU HBy 1.0 1.7 5.5 916 769 A 49 THR H A 41 GLY HAx 1.0 1.7 5.5 917 770 A 77 GLY H A 77 GLY HAx 1.0 1.7 4.0 918 771 A 70 ASN HD2y A 70 ASN HD2x 1.0 1.7 4.0 919 772 A 58 THR H A 57 ILE H 1.0 1.7 5.5 920 773 A 70 ASN H A 69 GLU HG2 1.0 1.7 4.0 921 773 A 70 ASN H A 69 GLU HG3 1.0 1.7 4.0 922 774 A 9 ILE H A 8 LYS HD2 1.0 1.7 4.0 923 774 A 9 ILE H A 8 LYS HD3 1.0 1.7 4.0 924 775 A 12 GLN HE2x A 12 GLN HGx 1.0 1.7 5.5 925 776 A 68 LEU H A 68 LEU HD1% 1.0 1.7 6.0 926 777 A 75 ILE HG2% A 55 LYS H 1.0 1.7 6.0 927 778 A 26 HIS H A 25 LYS HG2 1.0 1.7 5.5 928 778 A 26 HIS H A 25 LYS HG3 1.0 1.7 5.5 929 779 A 24 GLY H A 23 GLY H 1.0 1.7 4.0 930 780 A 39 LYS H A 38 ARG HD2 1.0 1.7 5.5 931 780 A 39 LYS H A 38 ARG HD3 1.0 1.7 5.5 932 781 A 3 VAL H A 97 TYR HA 1.0 1.7 5.5 933 782 A 15 ALA H A 14 CYS HA 1.0 1.7 5.5 934 783 A 17 CYS H A 18 HIS H 1.0 1.7 4.0 935 784 A 41 GLY H A 42 GLN H 1.0 1.7 4.0 936 785 A 36 PHE H A 102 THR HG2% 1.0 1.7 6.0 937 786 A 87 LYS H A 87 LYS HG2 1.0 1.7 3.0 938 786 A 87 LYS H A 87 LYS HG3 1.0 1.7 3.0 939 787 A 47 THR H A 46 PHE HEx 1.0 1.7 5.5 940 788 A 60 LYS H A 59 TRP H 1.0 1.7 5.5 941 789 A 10 PHE H A 10 PHE HBx 1.0 1.7 4.0 942 790 A 13 LYS H A 12 GLN HB2 1.0 1.7 4.0 943 790 A 12 GLN HB3 A 13 LYS H 1.0 1.7 4.0 944 791 A 94 LEU H A 95 ILE H 1.0 1.7 4.0 945 792 A 72 LYS HA A 72 LYS H 1.0 1.7 3.0 946 793 A 75 ILE H A 74 TYR HA 1.0 1.7 3.5 947 794 A 92 GLU H A 65 MET HE% 1.0 1.7 6.0 948 795 A 85 ILE H A 85 ILE HG2% 1.0 1.7 4.5 949 796 A 52 ASN H A 53 LYS HB2 1.0 1.7 5.5 950 796 A 52 ASN H A 53 LYS HB3 1.0 1.7 5.5 951 797 A 103 ASN H A 103 ASN HA 1.0 1.7 3.5 952 798 A 49 THR H A 79 LYS H 1.0 1.7 4.0 953 799 A 11 VAL H A 8 LYS H 1.0 1.7 5.5 954 800 A 24 GLY H A 22 LYS HA 1.0 1.7 4.0 955 801 A 13 LYS H A 12 GLN HGx 1.0 1.7 5.5 956 802 A 65 MET H A 95 ILE HD1% 1.0 1.7 6.0 957 803 A 43 ALA H A 48 TYR HDx 1.0 1.7 5.5 958 804 A 19 THR H A 19 THR HG2% 1.0 1.7 6.0 959 805 A 40 THR H A 56 GLY H 1.0 1.7 5.5 960 806 A 68 LEU H A 68 LEU HD2% 1.0 1.7 6.0 961 807 A 68 LEU H A 68 LEU HA 1.0 1.7 4.0 962 808 A 87 LYS H A 87 LYS HA 1.0 1.7 3.0 963 809 A 12 GLN H A 13 LYS H 1.0 1.7 3.0 964 810 A 90 GLU H A 89 THR HA 1.0 1.7 5.5 965 811 A 12 GLN H A 9 ILE HG2% 1.0 1.7 6.0 966 812 A 58 THR HA A 57 ILE H 1.0 1.7 5.5 967 813 A 51 ALA H A 51 ALA HA 1.0 1.7 3.0 968 814 A 24 GLY H A 22 LYS HB2 1.0 1.7 5.5 969 814 A 24 GLY H A 22 LYS HB3 1.0 1.7 5.5 970 815 A 94 LEU H A 9 ILE HD1% 1.0 1.7 6.0 971 816 A 42 GLN H A 52 ASN HD21 1.0 1.7 5.5 972 817 A 37 GLY H A 59 TRP H 1.0 1.7 4.0 973 818 A 100 LYS H A 100 LYS HB2 1.0 1.7 3.0 974 818 A 100 LYS H A 100 LYS HB3 1.0 1.7 3.0 975 819 A 67 TYR H A 67 TYR HA 1.0 1.7 3.0 976 820 A 5 LYS H A 4 GLU HGy 1.0 1.7 5.5 977 820 A 5 LYS H A 4 GLU HGx 1.0 1.7 5.5 978 821 A 39 LYS H A 58 THR HG2% 1.0 1.7 6.0 979 822 A 104 GLU H A 104 GLU HA 1.0 1.7 3.0 980 823 A 71 PRO HA A 69 GLU H 1.0 1.7 5.5 981 824 A 43 ALA H A 42 GLN HG2 1.0 1.7 5.5 982 824 A 43 ALA H A 42 GLN HG3 1.0 1.7 5.5 983 825 A 9 ILE H A 6 GLY HAx 1.0 1.7 5.5 984 826 A 39 LYS H A 38 ARG HB2 1.0 1.7 5.5 985 826 A 38 ARG HB3 A 39 LYS H 1.0 1.7 5.5 986 827 A 7 LYS H A 6 GLY HAy 1.0 1.7 3.0 987 828 A 55 LYS H A 52 ASN HA 1.0 1.7 4.0 988 829 A 72 LYS H A 74 TYR H 1.0 1.7 4.0 989 830 A 46 PHE H A 46 PHE HD% 1.0 1.7 5.5 990 831 A 38 ARG H A 37 GLY H 1.0 1.7 3.0 991 832 A 98 LEU H A 98 LEU HD1% 1.0 1.7 4.5 992 833 A 26 HIS H A 31 ASN H 1.0 1.7 5.5 993 834 A 97 TYR H A 96 ALA HB% 1.0 1.7 4.5 994 835 A 96 ALA H A 95 ILE HA 1.0 1.7 4.0 995 836 A 40 THR H A 39 LYS HD2 1.0 1.7 5.5 996 836 A 40 THR H A 39 LYS HD3 1.0 1.7 5.5 997 837 A 65 MET H A 65 MET HE% 1.0 1.7 6.0 998 838 A 52 ASN H A 51 ALA H 1.0 1.7 3.0 999 839 A 11 VAL H A 8 LYS H 1.0 1.7 5.5 1000 840 A 87 LYS H A 86 LYS HA 1.0 1.7 5.5 1001 841 A 64 LEU H A 66 GLU H 1.0 1.7 5.5 1002 842 A 57 ILE H A 56 GLY H 1.0 1.7 4.0 1003 843 A 98 LEU H A 97 TYR HA 1.0 1.7 4.0 1004 844 A 15 ALA H A 10 PHE HE2 1.0 1.7 5.5 1005 845 A 9 ILE H A 8 LYS H 1.0 1.7 4.0 1006 846 A 65 MET H A 62 GLU H 1.0 1.7 5.5 1007 847 A 18 HIS H A 16 GLN H 1.0 1.7 5.5 1008 848 A 55 LYS H A 40 THR HB 1.0 1.7 5.5 1009 849 A 73 LYS H A 73 LYS HG2 1.0 1.7 5.5 1010 849 A 73 LYS H A 73 LYS HG3 1.0 1.7 5.5 1011 850 A 26 HIS H A 25 LYS HA 1.0 1.7 3.0 1012 851 A 36 PHE H A 36 PHE HD2 1.0 1.7 3.5 1013 852 A 22 LYS H A 33 HIS HD2 1.0 1.7 5.5 1014 853 A 17 CYS HA A 18 HIS H 1.0 1.7 4.0 1015 854 A 41 GLY H A 53 LYS HA 1.0 1.7 5.5 1016 855 A 65 MET H A 62 GLU HA 1.0 1.7 5.5 1017 856 A 91 ARG H A 90 GLU HB2 1.0 1.7 4.0 1018 856 A 91 ARG H A 90 GLU HB3 1.0 1.7 4.0 1019 857 A 55 LYS H A 54 ASN HBy 1.0 1.7 4.0 1020 858 A 85 ILE HA A 87 LYS H 1.0 1.7 4.0 1021 859 A 61 GLU H A 62 GLU H 1.0 1.7 4.0 1022 860 A 87 LYS H A 86 LYS HB2 1.0 1.7 3.5 1023 860 A 87 LYS H A 86 LYS HB3 1.0 1.7 3.5 1024 861 A 100 LYS H A 100 LYS HG2 1.0 1.7 5.5 1025 861 A 100 LYS H A 100 LYS HG3 1.0 1.7 5.5 1026 862 A 89 THR H A 88 LYS HA 1.0 1.7 5.5 1027 863 A 60 LYS H A 58 THR HG2% 1.0 1.7 6.0 1028 864 A 102 THR H A 102 THR HG2% 1.0 1.7 4.5 1029 865 A 53 LYS H A 48 TYR HBx 1.0 1.7 4.0 1030 866 A 90 GLU H A 90 GLU HB2 1.0 1.7 3.0 1031 866 A 90 GLU H A 90 GLU HB3 1.0 1.7 3.0 1032 867 A 102 THR H A 101 ALA HB% 1.0 1.7 6.0 1033 868 A 9 ILE H A 7 LYS H 1.0 1.7 5.5 1034 869 A 72 LYS H A 70 ASN HB2 1.0 1.7 5.5 1035 870 A 18 HIS H A 19 THR H 1.0 1.7 5.5 1036 871 A 72 LYS H A 78 THR HG2% 1.0 1.7 6.0 1037 872 A 22 LYS H A 22 LYS HG2 1.0 1.7 5.5 1038 872 A 22 LYS H A 22 LYS HG3 1.0 1.7 5.5 1039 873 A 29 GLY H A 27 LYS H 1.0 1.7 4.0 1040 874 A 61 GLU H A 61 GLU HA 1.0 1.7 4.0 1041 875 A 103 ASN HD2x A 103 ASN H 1.0 1.7 5.5 1042 876 A 90 GLU H A 88 LYS HB2 1.0 1.7 5.5 1043 876 A 90 GLU H A 88 LYS HB3 1.0 1.7 5.5 1044 877 A 101 ALA H A 101 ALA HB% 1.0 1.7 4.5 1045 878 A 25 LYS H A 25 LYS HG2 1.0 1.7 4.0 1046 878 A 25 LYS H A 25 LYS HG3 1.0 1.7 4.0 1047 879 A 101 ALA H A 102 THR H 1.0 1.7 3.0 1048 880 A 94 LEU H A 94 LEU HBx 1.0 1.7 3.0 1049 881 A 69 GLU H A 69 GLU HA 1.0 1.7 4.0 1050 882 A 16 GLN H A 16 GLN HA 1.0 1.7 4.0 1051 883 A 51 ALA HB% A 78 THR H 1.0 1.7 6.0 1052 884 A 20 VAL H A 20 VAL HG1% 1.0 1.7 6.0 1053 885 A 47 THR H A 47 THR HA 1.0 1.7 5.5 1054 886 A 46 PHE H A 46 PHE HA 1.0 1.7 3.0 1055 887 A 68 LEU H A 67 TYR HD2 1.0 1.7 5.5 1056 888 A 72 LYS H A 72 LYS HE2 1.0 1.7 5.5 1057 888 A 72 LYS H A 72 LYS HE3 1.0 1.7 5.5 1058 889 A 42 GLN H A 48 TYR HBx 1.0 1.7 5.5 1059 890 A 75 ILE H A 76 PRO HDy 1.0 1.7 4.0 1060 890 A 75 ILE H A 76 PRO HDx 1.0 1.7 4.0 1061 891 A 64 LEU H A 59 TRP HBx 1.0 1.7 5.5 1062 892 A 33 HIS H A 32 LEU HD2% 1.0 1.7 6.0 1063 893 A 14 CYS H A 15 ALA HA 1.0 1.7 5.5 1064 894 A 54 ASN H A 56 GLY H 1.0 1.7 5.5 1065 895 A 90 GLU H A 89 THR HG2% 1.0 1.7 6.0 1066 896 A 7 LYS HA A 10 PHE H 1.0 1.7 4.0 1067 897 A 35 LEU H A 102 THR HG2% 1.0 1.7 6.0 1068 898 A 73 LYS H A 74 TYR H 1.0 1.7 3.0 1069 899 A 48 TYR H A 48 TYR HBy 1.0 1.7 4.0 1070 900 A 96 ALA H A 2 ASP H 1.0 1.7 5.5 1071 901 A 59 TRP HE1 A 59 TRP HBy 1.0 1.7 5.5 1072 902 A 49 THR HG2% A 79 LYS H 1.0 1.7 6.0 1073 903 A 48 TYR H A 47 THR HA 1.0 1.7 3.0 1074 904 A 77 GLY HAy A 78 THR H 1.0 1.7 3.0 1075 905 A 40 THR H A 40 THR HG2% 1.0 1.7 3.5 1076 906 A 82 PHE H A 82 PHE HB2 1.0 1.7 4.0 1077 907 A 91 ARG H A 85 ILE HG2% 1.0 1.7 6.0 1078 908 A 102 THR HA A 103 ASN H 1.0 1.7 4.0 1079 909 A 24 GLY H A 33 HIS HE2 1.0 1.7 3.0 1080 910 A 98 LEU HA A 102 THR HG2% 1.0 1.7 4.5 1081 911 A 97 TYR H A 95 ILE HA 1.0 1.7 4.0 1082 912 A 94 LEU HBy A 94 LEU HG 1.0 1.7 4.0 1083 913 A 75 ILE H A 74 TYR HBy 1.0 1.7 5.5 1084 914 A 13 LYS HB2 A 13 LYS HE2 1.0 1.7 5.5 1085 914 A 13 LYS HB3 A 13 LYS HE2 1.0 1.7 5.5 1086 914 A 13 LYS HE3 A 13 LYS HB2 1.0 1.7 5.5 1087 914 A 13 LYS HE3 A 13 LYS HB3 1.0 1.7 5.5 1088 915 A 63 THR HA A 62 GLU HA 1.0 1.7 5.5 1089 916 A 39 LYS HB3 A 39 LYS HG2 1.0 1.7 3.0 1090 916 A 39 LYS HB2 A 39 LYS HG2 1.0 1.7 3.0 1091 916 A 39 LYS HG3 A 39 LYS HB2 1.0 1.7 3.0 1092 916 A 39 LYS HB3 A 39 LYS HG3 1.0 1.7 3.0 1093 917 A 71 PRO HA A 74 TYR HD2 1.0 1.7 5.5 1094 917 A 71 PRO HA A 74 TYR HD1 1.0 1.7 5.5 1095 918 A 63 THR HG2% A 62 GLU H 1.0 1.7 6.0 1096 919 A 32 LEU HB2 A 32 LEU HA 1.0 1.7 4.0 1097 920 A 78 THR HA A 78 THR HG2% 1.0 1.7 6.0 1098 921 A 59 TRP H A 39 LYS HA 1.0 1.7 4.0 1099 922 A 85 ILE HB A 86 LYS H 1.0 1.7 5.5 1100 923 A 91 ARG HA A 94 LEU HBy 1.0 1.7 3.0 1101 924 A 54 ASN HBx A 54 ASN H 1.0 1.7 3.0 1102 925 A 40 THR HG2% A 39 LYS HA 1.0 1.7 6.0 1103 926 A 4 GLU HA A 4 GLU HGy 1.0 1.7 4.0 1104 926 A 4 GLU HA A 4 GLU HGx 1.0 1.7 4.0 1105 927 A 54 ASN H A 54 ASN HBy 1.0 1.7 4.0 1106 928 A 94 LEU HD2% A 10 PHE HD2 1.0 1.7 6.0 1107 929 A 60 LYS HDy A 60 LYS HG2 1.0 1.7 4.0 1108 929 A 60 LYS HG3 A 60 LYS HDy 1.0 1.7 4.0 1109 930 A 40 THR HA A 40 THR H 1.0 1.7 3.0 1110 931 A 64 LEU HD2% A 64 LEU HA 1.0 1.7 4.5 1111 932 A 3 VAL HA A 3 VAL HB 1.0 1.7 3.0 1112 933 A 98 LEU HD2% A 20 VAL HG1% 1.0 1.7 5.5 1113 934 A 3 VAL HG2% A 100 LYS HD2 1.0 1.7 4.0 1114 934 A 3 VAL HG2% A 100 LYS HD3 1.0 1.7 4.0 1115 935 A 75 ILE H A 78 THR HB 1.0 1.7 5.5 1116 936 A 85 ILE HG2% A 85 ILE HD1% 1.0 1.7 5.5 1117 937 A 59 TRP HA A 59 TRP HBy 1.0 1.7 5.5 1118 938 A 98 LEU HD1% A 98 LEU HD2% 1.0 1.7 5.5 1119 939 A 11 VAL HG2% A 7 LYS HE2 1.0 1.7 5.5 1120 939 A 11 VAL HG2% A 7 LYS HE3 1.0 1.7 5.5 1121 940 A 95 ILE HD1% A 65 MET HB2 1.0 1.7 5.5 1122 940 A 65 MET HB3 A 95 ILE HD1% 1.0 1.7 5.5 1123 941 A 102 THR HG2% A 20 VAL HB 1.0 1.7 3.5 1124 942 A 94 LEU HD2% A 68 LEU HD1% 1.0 1.7 6.0 1125 943 A 94 LEU HA A 94 LEU HBx 1.0 1.7 4.0 1126 944 A 98 LEU H A 95 ILE HA 1.0 1.7 4.0 1127 945 A 21 GLU HA A 21 GLU HG2 1.0 1.7 4.0 1128 945 A 21 GLU HA A 21 GLU HG3 1.0 1.7 4.0 1129 946 A 65 MET HE% A 88 LYS HG2 1.0 1.7 3.0 1130 946 A 88 LYS HG3 A 65 MET HE% 1.0 1.7 3.0 1131 947 A 99 LYS HA A 99 LYS H 1.0 1.7 4.0 1132 948 A 48 TYR H A 48 TYR HBx 1.0 1.7 4.0 1133 949 A 32 LEU HB2 A 32 LEU HD2% 1.0 1.7 6.0 1134 950 A 3 VAL H A 2 ASP HBy 1.0 1.7 4.0 1135 951 A 4 GLU HA A 7 LYS HB2 1.0 1.7 4.0 1136 951 A 4 GLU HA A 7 LYS HB3 1.0 1.7 4.0 1137 952 A 10 PHE HA A 10 PHE HBx 1.0 1.7 4.0 1138 953 A 50 ASP H A 50 ASP HA 1.0 1.7 3.0 1139 954 A 15 ALA HB% A 10 PHE HE1 1.0 1.7 6.0 1140 955 A 71 PRO HA A 71 PRO HDx 1.0 1.7 5.5 1141 956 A 16 GLN H A 16 GLN HGy 1.0 1.7 5.5 1142 957 A 17 CYS HBy A 17 CYS HBx 1.0 1.7 5.5 1143 958 A 73 LYS HA A 72 LYS HG2 1.0 1.7 4.0 1144 958 A 72 LYS HG3 A 73 LYS HA 1.0 1.7 4.0 1145 959 A 58 THR HA A 39 LYS HB2 1.0 1.7 5.5 1146 959 A 58 THR HA A 39 LYS HB3 1.0 1.7 5.5 1147 960 A 92 GLU HA A 95 ILE HG2% 1.0 1.7 4.5 1148 961 A 51 ALA HB% A 49 THR HB 1.0 1.7 4.5 1149 962 A 85 ILE HD1% A 94 LEU HBy 1.0 1.7 4.5 1150 963 A 7 LYS H A 9 ILE HB 1.0 1.7 5.5 1151 964 A 57 ILE HD1% A 57 ILE HB 1.0 1.7 6.0 1152 965 A 94 LEU HBx A 94 LEU HBy 1.0 1.7 4.0 1153 966 A 49 THR HG2% A 48 TYR HBx 1.0 1.7 6.0 1154 967 A 98 LEU HD1% A 98 LEU HD2% 1.0 1.7 5.5 1155 968 A 94 LEU HBx A 85 ILE HD1% 1.0 1.7 4.5 1156 969 A 81 ILE HA A 81 ILE HD1% 1.0 1.7 4.5 1157 970 A 68 LEU HD1% A 68 LEU HD2% 1.0 1.7 6.0 1158 971 A 25 LYS HD2 A 25 LYS HE2 1.0 1.7 3.0 1159 971 A 25 LYS HD3 A 25 LYS HE2 1.0 1.7 3.0 1160 971 A 25 LYS HE3 A 25 LYS HD2 1.0 1.7 3.0 1161 971 A 25 LYS HE3 A 25 LYS HD3 1.0 1.7 3.0 1162 972 A 94 LEU H A 9 ILE HD1% 1.0 1.7 4.5 1163 973 A 21 GLU H A 21 GLU HB2 1.0 1.7 5.5 1164 973 A 21 GLU H A 21 GLU HB3 1.0 1.7 5.5 1165 974 A 71 PRO HBy A 71 PRO HBx 1.0 1.7 4.0 1166 975 A 22 LYS HA A 33 HIS H 1.0 1.7 5.5 1167 976 A 74 TYR HD1 A 74 TYR HBx 1.0 1.7 5.5 1168 977 A 97 TYR HBx A 97 TYR HD2 1.0 1.7 4.0 1169 978 A 98 LEU HD2% A 98 LEU HG 1.0 1.7 3.5 1170 979 A 6 GLY H A 5 LYS HB2 1.0 1.7 4.0 1171 979 A 6 GLY H A 5 LYS HB3 1.0 1.7 4.0 1172 980 A 35 LEU HD1% A 32 LEU HD2% 1.0 1.7 5.5 1173 981 A 67 TYR HBy A 67 TYR HD1 1.0 1.7 5.5 1174 982 A 95 ILE HA A 98 LEU HB2 1.0 1.7 5.5 1175 982 A 95 ILE HA A 98 LEU HB3 1.0 1.7 5.5 1176 983 A 97 TYR HD2 A 98 LEU HD1% 1.0 1.7 6.0 1177 984 A 3 VAL H A 2 ASP HA 1.0 1.7 3.0 1178 985 A 74 TYR HBy A 74 TYR HA 1.0 1.7 4.0 1179 986 A 8 LYS H A 8 LYS HB2 1.0 1.7 3.0 1180 986 A 8 LYS H A 8 LYS HB3 1.0 1.7 3.0 1181 987 A 36 PHE HD1 A 61 GLU HG2 1.0 1.7 5.5 1182 987 A 36 PHE HD1 A 61 GLU HG3 1.0 1.7 5.5 1183 988 A 95 ILE HD1% A 65 MET HGx 1.0 1.7 3.5 1184 989 A 98 LEU HD2% A 32 LEU HD2% 1.0 1.7 6.0 1185 990 A 68 LEU HD2% A 94 LEU HG 1.0 1.7 4.5 1186 991 A 54 ASN HBx A 54 ASN HA 1.0 1.7 4.0 1187 992 A 72 LYS HA A 72 LYS H 1.0 1.7 3.0 1188 993 A 25 LYS HA A 25 LYS HG2 1.0 1.7 4.0 1189 993 A 25 LYS HA A 25 LYS HG3 1.0 1.7 4.0 1190 994 A 96 ALA HB% A 93 ASP HB2 1.0 1.7 5.5 1191 994 A 93 ASP HB3 A 96 ALA HB% 1.0 1.7 5.5 1192 995 A 94 LEU HA A 98 LEU HD1% 1.0 1.7 6.0 1193 996 A 75 ILE HG2% A 78 THR HB 1.0 1.7 6.0 1194 997 A 95 ILE HD1% A 91 ARG HB2 1.0 1.7 4.0 1195 997 A 91 ARG HB3 A 95 ILE HD1% 1.0 1.7 4.0 1196 998 A 101 ALA HB% A 20 VAL HG2% 1.0 1.7 5.5 1197 999 A 16 GLN HBx A 16 GLN HBy 1.0 1.7 3.0 1198 1000 A 32 LEU HA A 32 LEU HD2% 1.0 1.7 4.5 1199 1001 A 11 VAL H A 94 LEU HD1% 1.0 1.7 6.0 1200 1002 A 37 GLY H A 58 THR HG2% 1.0 1.7 4.5 1201 1003 A 42 GLN HE2x A 38 ARG HD2 1.0 1.7 5.5 1202 1003 A 42 GLN HE2x A 38 ARG HD3 1.0 1.7 5.5 1203 1004 A 49 THR HG2% A 49 THR HA 1.0 1.7 4.5 1204 1005 A 50 ASP HA A 50 ASP HB2 1.0 1.7 3.0 1205 1005 A 50 ASP HB3 A 50 ASP HA 1.0 1.7 3.0 1206 1006 A 25 LYS H A 25 LYS HB2 1.0 1.7 4.0 1207 1006 A 25 LYS H A 25 LYS HB3 1.0 1.7 4.0 1208 1007 A 98 LEU H A 98 LEU HD2% 1.0 1.7 4.5 1209 1008 A 3 VAL HG2% A 100 LYS HE2 1.0 1.7 5.5 1210 1008 A 3 VAL HG2% A 100 LYS HE3 1.0 1.7 5.5 1211 1009 A 59 TRP HA A 64 LEU HA 1.0 1.7 5.5 1212 1010 A 78 THR HA A 49 THR HG2% 1.0 1.7 6.0 1213 1011 A 16 GLN HBy A 16 GLN HA 1.0 1.7 3.0 1214 1012 A 77 GLY HAy A 77 GLY HAx 1.0 1.7 3.0 1215 1013 A 9 ILE H A 9 ILE HA 1.0 1.7 4.0 1216 1014 A 41 GLY HAy A 48 TYR HBx 1.0 1.7 5.5 1217 1015 A 68 LEU HA A 67 TYR HD2 1.0 1.7 4.0 1218 1016 A 19 THR HG2% A 25 LYS HE2 1.0 1.7 5.5 1219 1016 A 25 LYS HE3 A 19 THR HG2% 1.0 1.7 5.5 1220 1017 A 46 PHE HBx A 46 PHE HA 1.0 1.7 4.0 1221 1018 A 58 THR H A 57 ILE HD1% 1.0 1.7 4.5 1222 1019 A 57 ILE HD1% A 75 ILE HD1% 1.0 1.7 6.0 1223 1020 A 84 GLY HAy A 85 ILE HD1% 1.0 1.7 6.0 1224 1021 A 58 THR HA A 39 LYS HA 1.0 1.7 4.0 1225 1022 A 78 THR HA A 79 LYS HA 1.0 1.7 5.0 1226 1023 A 38 ARG H A 35 LEU HA 1.0 1.7 4.0 1227 1024 A 56 GLY H A 56 GLY HA2 1.0 1.7 4.0 1228 1025 A 35 LEU HA A 35 LEU HB2 1.0 1.7 5.5 1229 1025 A 35 LEU HB3 A 35 LEU HA 1.0 1.7 5.5 1230 1026 A 102 THR HA A 20 VAL HG1% 1.0 1.7 6.0 1231 1027 A 94 LEU HBx A 94 LEU HBy 1.0 1.7 4.0 1232 1028 A 49 THR HG2% A 79 LYS H 1.0 1.7 4.5 1233 1029 A 15 ALA H A 15 ALA HA 1.0 1.7 4.0 1234 1030 A 90 GLU H A 90 GLU HG2 1.0 1.7 4.0 1235 1030 A 90 GLU H A 90 GLU HG3 1.0 1.7 4.0 1236 1031 A 35 LEU H A 35 LEU HD2% 1.0 1.7 6.0 1237 1032 A 78 THR HA A 79 LYS H 1.0 1.7 4.0 1238 1033 A 64 LEU HD1% A 59 TRP HBy 1.0 1.7 6.0 1239 1034 A 12 GLN H A 11 VAL HG1% 1.0 1.7 4.5 1240 1035 A 75 ILE HG2% A 51 ALA HB% 1.0 1.7 5.5 1241 1036 A 8 LYS HA A 8 LYS HB2 1.0 1.7 3.0 1242 1036 A 8 LYS HA A 8 LYS HB3 1.0 1.7 3.0 1243 1037 A 100 LYS H A 98 LEU HA 1.0 1.7 5.5 1244 1038 A 19 THR HB A 31 ASN HBy 1.0 1.7 4.0 1245 1039 A 96 ALA H A 95 ILE HB 1.0 1.7 4.0 1246 1040 A 58 THR H A 58 THR HB 1.0 1.7 3.0 1247 1041 A 49 THR H A 49 THR HG2% 1.0 1.7 4.5 1248 1042 A 91 ARG H A 85 ILE HD1% 1.0 1.7 6.0 1249 1043 A 47 THR H A 46 PHE HA 1.0 1.7 3.0 1250 1044 A 64 LEU HD2% A 64 LEU HB2 1.0 1.7 5.5 1251 1044 A 64 LEU HB3 A 64 LEU HD2% 1.0 1.7 5.5 1252 1045 A 64 LEU HD1% A 64 LEU HG 1.0 1.7 3.5 1253 1046 A 94 LEU HA A 6 GLY HAx 1.0 1.7 4.0 1254 1047 A 73 LYS HA A 73 LYS HG2 1.0 1.7 4.0 1255 1047 A 73 LYS HA A 73 LYS HG3 1.0 1.7 4.0 1256 1048 A 81 ILE HG2% A 81 ILE HB 1.0 1.7 3.5 1257 1049 A 54 ASN HBx A 51 ALA HA 1.0 1.7 5.5 1258 1050 A 78 THR HA A 49 THR H 1.0 1.7 4.0 1259 1051 A 95 ILE HD1% A 65 MET HE% 1.0 1.7 6.0 1260 1052 A 39 LYS H A 39 LYS HB2 1.0 1.7 3.0 1261 1052 A 39 LYS H A 39 LYS HB3 1.0 1.7 3.0 1262 1053 A 65 MET H A 65 MET HE% 1.0 1.7 6.0 1263 1054 A 15 ALA HB% A 16 GLN HGy 1.0 1.7 6.0 1264 1055 A 57 ILE HG12 A 57 ILE HG2% 1.0 1.7 4.5 1265 1056 A 63 THR HB A 64 LEU HG 1.0 1.7 5.5 1266 1057 A 79 LYS HA A 79 LYS HD2 1.0 1.7 4.0 1267 1057 A 79 LYS HD3 A 79 LYS HA 1.0 1.7 4.0 1268 1058 A 103 ASN HBx A 103 ASN HD2x 1.0 1.7 4.0 1269 1059 A 11 VAL H A 7 LYS HA 1.0 1.7 5.5 1270 1060 A 68 LEU HA A 68 LEU HD2% 1.0 1.7 6.0 1271 1061 A 78 THR HB A 75 ILE HD1% 1.0 1.7 6.0 1272 1062 A 9 ILE HA A 10 PHE H 1.0 1.7 5.5 1273 1063 A 26 HIS HBx A 26 HIS HBy 1.0 1.7 3.0 1274 1064 A 32 LEU H A 20 VAL HG1% 1.0 1.7 6.0 1275 1065 A 99 LYS HA A 99 LYS HB2 1.0 1.7 5.5 1276 1065 A 99 LYS HA A 99 LYS HB3 1.0 1.7 5.5 1277 1066 A 58 THR HG2% A 60 LYS HE2 1.0 1.7 5.5 1278 1066 A 60 LYS HE3 A 58 THR HG2% 1.0 1.7 5.5 1279 1067 A 42 GLN H A 41 GLY HAx 1.0 1.7 4.0 1280 1068 A 9 ILE HA A 9 ILE HG12 1.0 1.7 4.0 1281 1069 A 35 LEU H A 36 PHE HBy 1.0 1.7 5.5 1282 1070 A 13 LYS HB2 A 13 LYS HE2 1.0 1.7 5.5 1283 1070 A 13 LYS HB3 A 13 LYS HE2 1.0 1.7 5.5 1284 1070 A 13 LYS HE3 A 13 LYS HB2 1.0 1.7 5.5 1285 1070 A 13 LYS HE3 A 13 LYS HB3 1.0 1.7 5.5 1286 1071 A 68 LEU HA A 68 LEU HB3 1.0 1.7 3.0 1287 1071 A 68 LEU HB2 A 68 LEU HA 1.0 1.7 3.0 1288 1072 A 9 ILE HG2% A 9 ILE HD1% 1.0 1.7 5.5 1289 1073 A 72 LYS HA A 74 TYR H 1.0 1.7 5.5 1290 1074 A 87 LYS H A 90 GLU HG2 1.0 1.7 4.0 1291 1074 A 87 LYS H A 90 GLU HG3 1.0 1.7 4.0 1292 1075 A 20 VAL H A 20 VAL HG2% 1.0 1.7 4.0 1293 1076 A 75 ILE HG2% A 75 ILE HD1% 1.0 1.7 5.5 1294 1077 A 5 LYS H A 2 ASP HBy 1.0 1.7 4.0 1295 1078 A 4 GLU H A 3 VAL HA 1.0 1.7 4.0 1296 1079 A 98 LEU HA A 98 LEU HD2% 1.0 1.7 3.5 1297 1080 A 13 LYS HA A 13 LYS HE2 1.0 1.7 5.5 1298 1080 A 13 LYS HE3 A 13 LYS HA 1.0 1.7 5.5 1299 1081 A 35 LEU HD1% A 35 LEU HA 1.0 1.7 4.5 1300 1082 A 12 GLN H A 10 PHE HA 1.0 1.7 5.5 1301 1083 A 69 GLU HB2 A 69 GLU HG2 1.0 1.7 4.0 1302 1083 A 69 GLU HB3 A 69 GLU HG2 1.0 1.7 4.0 1303 1083 A 69 GLU HG3 A 69 GLU HB2 1.0 1.7 4.0 1304 1083 A 69 GLU HB3 A 69 GLU HG3 1.0 1.7 4.0 1305 1084 A 58 THR HG2% A 58 THR HB 1.0 1.7 4.5 1306 1085 A 95 ILE HA A 94 LEU HBx 1.0 1.7 4.0 1307 1086 A 5 LYS H A 5 LYS HA 1.0 1.7 3.0 1308 1087 A 75 ILE HG2% A 75 ILE HD1% 1.0 1.7 5.5 1309 1088 A 12 GLN HE2x A 12 GLN HGy 1.0 1.7 4.0 1310 1089 A 45 GLY HAx A 45 GLY H 1.0 1.7 5.5 1311 1090 A 21 GLU HA A 20 VAL HB 1.0 1.7 5.5 1312 1091 A 95 ILE HG2% A 95 ILE HA 1.0 1.7 6.0 1313 1092 A 3 VAL HG2% A 97 TYR HD1 1.0 1.7 6.0 1314 1093 A 68 LEU HA A 68 LEU HD2% 1.0 1.7 4.5 1315 1094 A 2 ASP HA A 3 VAL HB 1.0 1.7 5.5 1316 1095 A 40 THR HG2% A 57 ILE HG12 1.0 1.7 4.5 1317 1096 A 90 GLU H A 89 THR HB 1.0 1.7 4.0 1318 1097 A 63 THR HA A 57 ILE HD1% 1.0 1.7 6.0 1319 1098 A 58 THR HG2% A 38 ARG HA 1.0 1.7 6.0 1320 1099 A 29 GLY H A 30 PRO HA 1.0 1.7 5.5 1321 1100 A 101 ALA H A 101 ALA HB% 1.0 1.7 3.5 1322 1101 A 15 ALA HB% A 15 ALA H 1.0 1.7 3.5 1323 1102 A 35 LEU HD1% A 64 LEU HD2% 1.0 1.7 6.0 1324 1103 A 82 PHE H A 81 ILE HA 1.0 1.7 3.0 1325 1104 A 103 ASN HBy A 103 ASN H 1.0 1.7 3.0 1326 1105 A 96 ALA HB% A 93 ASP HA 1.0 1.7 6.0 1327 1106 A 17 CYS HA A 28 THR HA 1.0 1.7 5.5 1328 1107 A 19 THR HA A 20 VAL HG2% 1.0 1.7 6.0 1329 1108 A 23 GLY HAx A 23 GLY HAy 1.0 1.7 3.0 1330 1109 A 58 THR HB A 39 LYS HD2 1.0 1.7 5.5 1331 1109 A 39 LYS HD3 A 58 THR HB 1.0 1.7 5.5 1332 1110 A 19 THR H A 20 VAL HG1% 1.0 1.7 6.0 1333 1111 A 19 THR HG2% A 27 LYS HE2 1.0 1.7 5.5 1334 1111 A 19 THR HG2% A 27 LYS HE3 1.0 1.7 5.5 1335 1112 A 37 GLY H A 36 PHE HA 1.0 1.7 3.0 1336 1113 A 95 ILE HG12 A 68 LEU HB3 1.0 1.7 5.5 1337 1113 A 68 LEU HB2 A 95 ILE HG12 1.0 1.7 5.5 1338 1114 A 102 THR HA A 101 ALA HB% 1.0 1.7 6.0 1339 1115 A 101 ALA HA A 102 THR HG2% 1.0 1.7 6.0 1340 1116 A 64 LEU H A 64 LEU HD1% 1.0 1.7 6.0 1341 1117 A 101 ALA H A 98 LEU HA 1.0 1.7 5.5 1342 1118 A 68 LEU HD1% A 94 LEU HBx 1.0 1.7 6.0 1343 1119 A 3 VAL HG2% A 3 VAL HB 1.0 1.7 3.5 1344 1120 A 65 MET HA A 66 GLU HA 1.0 1.7 5.5 1345 1121 A 7 LYS HA A 7 LYS HB2 1.0 1.7 4.0 1346 1121 A 7 LYS HA A 7 LYS HB3 1.0 1.7 4.0 1347 1122 A 36 PHE HBx A 36 PHE HBy 1.0 1.7 3.0 1348 1123 A 77 GLY HAy A 77 GLY HAx 1.0 1.7 3.0 1349 1124 A 97 TYR HBx A 96 ALA HB% 1.0 1.7 6.0 1350 1125 A 101 ALA HA A 104 GLU HG2 1.0 1.7 4.0 1351 1125 A 101 ALA HA A 104 GLU HG3 1.0 1.7 4.0 1352 1126 A 75 ILE HG2% A 74 TYR HD2 1.0 1.7 6.0 1353 1127 A 6 GLY H A 9 ILE HD1% 1.0 1.7 6.0 1354 1128 A 42 GLN H A 38 ARG HD2 1.0 1.7 5.5 1355 1128 A 42 GLN H A 38 ARG HD3 1.0 1.7 5.5 1356 1129 A 57 ILE HG2% A 57 ILE HD1% 1.0 1.7 5.5 1357 1130 A 58 THR HG2% A 57 ILE HD1% 1.0 1.7 6.0 1358 1131 A 96 ALA H A 96 ALA HA 1.0 1.7 3.0 1359 1132 A 35 LEU HD1% A 59 TRP HBx 1.0 1.7 4.5 1360 1133 A 89 THR HA A 89 THR HG2% 1.0 1.7 4.5 1361 1134 A 72 LYS HE3 A 72 LYS HG2 1.0 1.7 4.0 1362 1134 A 72 LYS HE2 A 72 LYS HG2 1.0 1.7 4.0 1363 1134 A 72 LYS HG3 A 72 LYS HE2 1.0 1.7 4.0 1364 1134 A 72 LYS HG3 A 72 LYS HE3 1.0 1.7 4.0 1365 1135 A 88 LYS HA A 88 LYS HG2 1.0 1.7 5.5 1366 1135 A 88 LYS HG3 A 88 LYS HA 1.0 1.7 5.5 1367 1136 A 19 THR HB A 19 THR HA 1.0 1.7 3.0 1368 1137 A 76 PRO HA A 72 LYS HD2 1.0 1.7 5.5 1369 1137 A 72 LYS HD3 A 76 PRO HA 1.0 1.7 5.5 1370 1138 A 31 ASN HA A 32 LEU HD2% 1.0 1.7 4.5 1371 1139 A 37 GLY H A 38 ARG HA 1.0 1.7 5.5 1372 1140 A 64 LEU H A 62 GLU HA 1.0 1.7 4.0 1373 1141 A 11 VAL HB A 11 VAL HA 1.0 1.7 3.0 1374 1142 A 15 ALA HB% A 13 LYS H 1.0 1.7 6.0 1375 1143 A 84 GLY HAy A 71 PRO HDx 1.0 1.7 5.5 1376 1144 A 12 GLN H A 12 GLN HGx 1.0 1.7 3.0 1377 1145 A 1 GLY HAy A 96 ALA HB% 1.0 1.7 6.0 1378 1146 A 46 PHE HBx A 46 PHE HBy 1.0 1.7 4.0 1379 1147 A 75 ILE HG2% A 52 ASN HD22 1.0 1.7 6.0 1380 1148 A 5 LYS H A 3 VAL HG1% 1.0 1.7 6.0 1381 1149 A 4 GLU HA A 3 VAL HA 1.0 1.7 5.5 1382 1150 A 71 PRO HA A 71 PRO HBx 1.0 1.7 4.0 1383 1151 A 1 GLY HAy A 1 GLY HAx 1.0 1.7 3.0 1384 1152 A 38 ARG HA A 38 ARG HD2 1.0 1.7 5.5 1385 1152 A 38 ARG HA A 38 ARG HD3 1.0 1.7 5.5 1386 1153 A 22 LYS H A 22 LYS HA 1.0 1.7 4.0 1387 1154 A 9 ILE HG2% A 9 ILE HB 1.0 1.7 4.5 1388 1155 A 46 PHE HBy A 46 PHE HA 1.0 1.7 4.0 1389 1156 A 54 ASN HA A 53 LYS HB2 1.0 1.7 5.5 1390 1156 A 53 LYS HB3 A 54 ASN HA 1.0 1.7 5.5 1391 1157 A 46 PHE HBx A 46 PHE HBy 1.0 1.7 4.0 1392 1158 A 41 GLY H A 75 ILE HD1% 1.0 1.7 6.0 1393 1159 A 9 ILE HD1% A 90 GLU HG2 1.0 1.7 4.0 1394 1159 A 9 ILE HD1% A 90 GLU HG3 1.0 1.7 4.0 1395 1160 A 66 GLU H A 95 ILE HD1% 1.0 1.7 6.0 1396 1161 A 40 THR H A 58 THR HG2% 1.0 1.7 6.0 1397 1162 A 62 GLU H A 62 GLU HA 1.0 1.7 3.0 1398 1163 A 11 VAL HA A 13 LYS H 1.0 1.7 5.5 1399 1164 A 104 GLU H A 103 ASN HBx 1.0 1.7 4.0 1400 1165 A 100 LYS H A 100 LYS HA 1.0 1.7 3.0 1401 1166 A 99 LYS HA A 99 LYS HD2 1.0 1.7 5.5 1402 1166 A 99 LYS HA A 99 LYS HD3 1.0 1.7 5.5 1403 1167 A 94 LEU HD2% A 9 ILE HB 1.0 1.7 6.0 1404 1168 A 22 LYS HA A 22 LYS HB2 1.0 1.7 5.5 1405 1168 A 22 LYS HA A 22 LYS HB3 1.0 1.7 5.5 1406 1169 A 79 LYS H A 78 THR HG2% 1.0 1.7 6.0 1407 1170 A 19 THR HG2% A 24 GLY HAy 1.0 1.7 6.0 1408 1171 A 21 GLU H A 21 GLU HG2 1.0 1.7 4.0 1409 1171 A 21 GLU H A 21 GLU HG3 1.0 1.7 4.0 1410 1172 A 11 VAL HA A 11 VAL HG1% 1.0 1.7 3.5 1411 1173 A 35 LEU HA A 35 LEU HD2% 1.0 1.7 6.0 1412 1174 A 20 VAL HG2% A 20 VAL HB 1.0 1.7 3.5 1413 1175 A 14 CYS H A 14 CYS HBy 1.0 1.7 4.0 1414 1176 A 66 GLU H A 62 GLU HA 1.0 1.7 5.5 1415 1177 A 104 GLU H A 101 ALA HB% 1.0 1.7 6.0 1416 1178 A 17 CYS HA A 28 THR HG2% 1.0 1.7 6.0 1417 1179 A 60 LYS H A 57 ILE HD1% 1.0 1.7 6.0 1418 1180 A 82 PHE HD% A 13 LYS HA 1.0 1.7 5.5 1419 1181 A 64 LEU H A 64 LEU HD2% 1.0 1.7 6.0 1420 1182 A 70 ASN H A 71 PRO HDy 1.0 1.7 5.5 1421 1183 A 2 ASP HA A 5 LYS HE2 1.0 1.7 5.5 1422 1183 A 5 LYS HE3 A 2 ASP HA 1.0 1.7 5.5 1423 1184 A 68 LEU HD1% A 68 LEU HD2% 1.0 1.7 6.0 1424 1185 A 63 THR HG2% A 57 ILE HD1% 1.0 1.7 6.0 1425 1186 A 13 LYS HA A 13 LYS HB2 1.0 1.7 5.5 1426 1186 A 13 LYS HA A 13 LYS HB3 1.0 1.7 5.5 1427 1187 A 10 PHE HBy A 10 PHE HD2 1.0 1.7 4.0 1428 1188 A 64 LEU HD2% A 35 LEU HD2% 1.0 1.7 6.0 1429 1189 A 4 GLU HA A 4 GLU HB2 1.0 1.7 3.0 1430 1189 A 4 GLU HA A 4 GLU HB3 1.0 1.7 3.0 1431 1190 A 37 GLY H A 36 PHE HBy 1.0 1.7 5.5 1432 1191 A 46 PHE HBx A 43 ALA HB% 1.0 1.7 6.0 1433 1192 A 68 LEU HD1% A 68 LEU HA 1.0 1.7 6.0 1434 1193 A 28 THR HB A 28 THR HG2% 1.0 1.7 4.5 1435 1194 A 19 THR HA A 19 THR HG2% 1.0 1.7 4.5 1436 1195 A 81 ILE H A 81 ILE HB 1.0 1.7 4.0 1437 1196 A 32 LEU HB2 A 98 LEU HD2% 1.0 1.7 6.0 1438 1197 A 78 THR HG2% A 72 LYS HD2 1.0 1.7 5.5 1439 1197 A 72 LYS HD3 A 78 THR HG2% 1.0 1.7 5.5 1440 1198 A 97 TYR HA A 100 LYS HB2 1.0 1.7 5.5 1441 1198 A 100 LYS HB3 A 97 TYR HA 1.0 1.7 5.5 1442 1199 A 73 LYS HA A 73 LYS HE2 1.0 1.7 5.5 1443 1199 A 73 LYS HA A 73 LYS HE3 1.0 1.7 5.5 1444 1200 A 40 THR HA A 41 GLY H 1.0 1.7 3.0 1445 1201 A 49 THR HB A 78 THR H 1.0 1.7 5.5 1446 1202 A 36 PHE HD1 A 60 LYS HA 1.0 1.7 4.0 1447 1203 A 78 THR HG2% A 79 LYS HA 1.0 1.7 6.0 1448 1204 A 28 THR HA A 28 THR HG2% 1.0 1.7 3.5 1449 1205 A 79 LYS H A 79 LYS HA 1.0 1.7 4.0 1450 1206 A 54 ASN HA A 54 ASN HBy 1.0 1.7 4.0 1451 1207 A 35 LEU HD2% A 64 LEU HD1% 1.0 1.7 6.0 1452 1208 A 78 THR HB A 78 THR HG2% 1.0 1.7 4.5 1453 1209 A 52 ASN HD22 A 75 ILE HD1% 1.0 1.7 4.5 1454 1210 A 89 THR HB A 89 THR HG2% 1.0 1.7 3.5 1455 1211 A 25 LYS HA A 25 LYS HB2 1.0 1.7 4.0 1456 1211 A 25 LYS HA A 25 LYS HB3 1.0 1.7 4.0 1457 1212 A 57 ILE HA A 57 ILE HB 1.0 1.7 3.0 1458 1213 A 98 LEU HD1% A 98 LEU HA 1.0 1.7 6.0 1459 1214 A 32 LEU H A 32 LEU HB2 1.0 1.7 5.5 1460 1215 A 32 LEU HA A 33 HIS H 1.0 1.7 5.5 1461 1216 A 80 MET H A 79 LYS HA 1.0 1.7 4.0 1462 1217 A 51 ALA HA A 54 ASN HBy 1.0 1.7 4.0 1463 1218 A 35 LEU HD2% A 35 LEU HB2 1.0 1.7 5.5 1464 1218 A 35 LEU HB3 A 35 LEU HD2% 1.0 1.7 5.5 1465 1219 A 59 TRP H A 59 TRP HA 1.0 1.7 4.0 1466 1220 A 68 LEU HD1% A 64 LEU HB2 1.0 1.7 5.5 1467 1220 A 64 LEU HB3 A 68 LEU HD1% 1.0 1.7 5.5 1468 1221 A 97 TYR HD2 A 20 VAL HG1% 1.0 1.7 6.0 1469 1222 A 20 VAL HA A 20 VAL HG2% 1.0 1.7 3.5 1470 1223 A 103 ASN HBx A 103 ASN HA 1.0 1.7 3.0 1471 1224 A 12 GLN HGy A 12 GLN HA 1.0 1.7 4.0 1472 1225 A 20 VAL HA A 20 VAL HB 1.0 1.7 3.0 1473 1226 A 68 LEU HD2% A 68 LEU HB3 1.0 1.7 5.5 1474 1226 A 68 LEU HB2 A 68 LEU HD2% 1.0 1.7 5.5 1475 1227 A 9 ILE HA A 12 GLN HGy 1.0 1.7 4.0 1476 1228 A 72 LYS HA A 72 LYS HD2 1.0 1.7 4.0 1477 1228 A 72 LYS HD3 A 72 LYS HA 1.0 1.7 4.0 1478 1229 A 57 ILE HG2% A 57 ILE HB 1.0 1.7 4.5 1479 1230 A 90 GLU H A 89 THR HA 1.0 1.7 5.5 1480 1231 A 55 LYS H A 54 ASN HBx 1.0 1.7 4.0 1481 1232 A 57 ILE H A 57 ILE HD1% 1.0 1.7 4.5 1482 1233 A 102 THR HA A 102 THR HG2% 1.0 1.7 3.5 1483 1234 A 74 TYR HA A 67 TYR HD1 1.0 1.7 5.5 1484 1235 A 49 THR HB A 49 THR HG2% 1.0 1.7 3.5 1485 1236 A 59 TRP HD1 A 59 TRP HA 1.0 1.7 5.5 1486 1237 A 49 THR HG2% A 78 THR HB 1.0 1.7 6.0 1487 1238 A 3 VAL HG1% A 2 ASP HA 1.0 1.7 6.0 1488 1239 A 48 TYR H A 47 THR HB 1.0 1.7 5.5 1489 1240 A 35 LEU HG A 35 LEU HD2% 1.0 1.7 4.5 1490 1241 A 97 TYR HBy A 97 TYR HBx 1.0 1.7 4.0 1491 1242 A 13 LYS HA A 13 LYS HG2 1.0 1.7 4.0 1492 1242 A 13 LYS HA A 13 LYS HG3 1.0 1.7 4.0 1493 1243 A 68 LEU HD1% A 95 ILE HD1% 1.0 1.7 6.0 1494 1244 A 9 ILE HA A 9 ILE HG2% 1.0 1.7 3.5 1495 1245 A 72 LYS HD2 A 72 LYS HG2 1.0 1.7 3.0 1496 1245 A 72 LYS HD3 A 72 LYS HG2 1.0 1.7 3.0 1497 1245 A 72 LYS HG3 A 72 LYS HD2 1.0 1.7 3.0 1498 1245 A 72 LYS HD3 A 72 LYS HG3 1.0 1.7 3.0 1499 1246 A 85 ILE HG2% A 85 ILE HD1% 1.0 1.7 4.0 1500 1247 A 53 LYS H A 53 LYS HG2 1.0 1.7 4.0 1501 1247 A 53 LYS HG3 A 53 LYS H 1.0 1.7 4.0 1502 1248 A 68 LEU HD1% A 98 LEU HD1% 1.0 1.7 6.0 1503 1249 A 50 ASP H A 50 ASP HA 1.0 1.7 3.0 1504 1250 A 62 GLU HA A 65 MET HE% 1.0 1.7 4.5 1505 1251 A 24 GLY HAx A 24 GLY HAy 1.0 1.7 3.0 1506 1252 A 62 GLU H A 61 GLU HB3 1.0 1.7 5.5 1507 1252 A 62 GLU H A 61 GLU HB2 1.0 1.7 5.5 1508 1253 A 91 ARG HA A 94 LEU HD1% 1.0 1.7 6.0 1509 1254 A 24 GLY HAx A 24 GLY HAy 1.0 1.7 3.0 1510 1255 A 11 VAL HG2% A 8 LYS HB2 1.0 1.7 5.5 1511 1255 A 8 LYS HB3 A 11 VAL HG2% 1.0 1.7 5.5 1512 1256 A 35 LEU HD1% A 35 LEU HB2 1.0 1.7 5.5 1513 1256 A 35 LEU HD1% A 35 LEU HB3 1.0 1.7 5.5 1514 1257 A 68 LEU HD2% A 67 TYR HD2 1.0 1.7 6.0 1515 1258 A 74 TYR H A 74 TYR HBx 1.0 1.7 5.5 1516 1259 A 23 GLY HAx A 23 GLY HAy 1.0 1.7 3.0 1517 1260 A 11 VAL HG2% A 11 VAL HG1% 1.0 1.7 4.0 1518 1261 A 69 GLU HA A 69 GLU HG2 1.0 1.7 4.0 1519 1261 A 69 GLU HA A 69 GLU HG3 1.0 1.7 4.0 1520 1262 A 102 THR H A 102 THR HB 1.0 1.7 4.0 1521 1263 A 103 ASN HBx A 103 ASN HD2y 1.0 1.7 4.0 1522 1264 A 2 ASP HBx A 2 ASP HBy 1.0 1.7 3.0 1523 1265 A 81 ILE HD1% A 79 LYS HA 1.0 1.7 6.0 1524 1266 A 95 ILE HG2% A 61 GLU HG2 1.0 1.7 5.5 1525 1266 A 61 GLU HG3 A 95 ILE HG2% 1.0 1.7 5.5 1526 1267 A 48 TYR HBx A 53 LYS HB2 1.0 1.7 5.5 1527 1267 A 48 TYR HBx A 53 LYS HB3 1.0 1.7 5.5 1528 1268 A 35 LEU HD2% A 59 TRP HBy 1.0 1.7 6.0 1529 1269 A 40 THR HA A 40 THR HB 1.0 1.7 3.0 1530 1270 A 68 LEU HA A 91 ARG HD2 1.0 1.7 5.5 1531 1270 A 91 ARG HD3 A 68 LEU HA 1.0 1.7 5.5 1532 1271 A 20 VAL H A 20 VAL HA 1.0 1.7 4.0 1533 1272 A 22 LYS HB2 A 22 LYS HE2 1.0 1.7 5.5 1534 1272 A 22 LYS HB3 A 22 LYS HE2 1.0 1.7 5.5 1535 1272 A 22 LYS HE3 A 22 LYS HB2 1.0 1.7 5.5 1536 1272 A 22 LYS HB3 A 22 LYS HE3 1.0 1.7 5.5 1537 1273 A 9 ILE H A 94 LEU HD1% 1.0 1.7 4.5 1538 1274 A 94 LEU HA A 94 LEU HD1% 1.0 1.7 4.5 1539 1275 A 16 GLN HBx A 16 GLN HA 1.0 1.7 3.0 1540 1276 A 75 ILE HG2% A 78 THR HG2% 1.0 1.7 6.0 1541 1277 A 48 TYR H A 47 THR HG2% 1.0 1.7 5.5 1542 1278 A 78 THR HA A 78 THR HG2% 1.0 1.7 3.5 1543 1279 A 94 LEU HD2% A 68 LEU HD1% 1.0 1.7 6.0 1544 1280 A 64 LEU HD1% A 32 LEU HD1% 1.0 1.7 6.0 1545 1281 A 98 LEU HD1% A 98 LEU HG 1.0 1.7 3.5 1546 1282 A 82 PHE H A 81 ILE HD1% 1.0 1.7 6.0 1547 1283 A 85 ILE HA A 85 ILE HD1% 1.0 1.7 4.5 1548 1284 A 19 THR HA A 20 VAL HG1% 1.0 1.7 6.0 1549 1285 A 19 THR HB A 21 GLU HB2 1.0 1.7 5.5 1550 1285 A 19 THR HB A 21 GLU HB3 1.0 1.7 5.5 1551 1286 A 48 TYR HA A 48 TYR HBy 1.0 1.7 5.5 1552 1287 A 59 TRP H A 58 THR HG2% 1.0 1.7 4.5 1553 1288 A 40 THR HG2% A 57 ILE HD1% 1.0 1.7 3.5 1554 1289 A 9 ILE HD1% A 85 ILE HD1% 1.0 1.7 6.0 1555 1290 A 7 LYS H A 8 LYS HB2 1.0 1.7 5.5 1556 1290 A 7 LYS H A 8 LYS HB3 1.0 1.7 5.5 1557 1291 A 72 LYS H A 72 LYS HG2 1.0 1.7 5.0 1558 1291 A 72 LYS H A 72 LYS HG3 1.0 1.7 5.0 1559 1292 A 7 LYS HA A 7 LYS HG2 1.0 1.7 4.0 1560 1292 A 7 LYS HA A 7 LYS HG3 1.0 1.7 4.0 1561 1293 A 36 PHE HD1 A 64 LEU HD1% 1.0 1.7 5.5 1562 1293 A 64 LEU HD1% A 36 PHE HD2 1.0 1.7 5.5 1563 1294 A 19 THR HA A 19 THR HG2% 1.0 1.7 3.5 1564 1295 A 3 VAL HG2% A 3 VAL HA 1.0 1.7 3.5 1565 1296 A 85 ILE HB A 85 ILE HG2% 1.0 1.7 4.5 1566 1297 A 95 ILE HD1% A 68 LEU HD2% 1.0 1.7 6.0 1567 1298 A 68 LEU HD1% A 94 LEU HG 1.0 1.7 3.5 1568 1299 A 58 THR HG2% A 37 GLY HAx 1.0 1.7 4.5 1569 1300 A 95 ILE HG2% A 95 ILE H 1.0 1.7 4.5 1570 1301 A 64 LEU HD1% A 64 LEU HA 1.0 1.7 6.0 1571 1302 A 95 ILE HD1% A 64 LEU HD1% 1.0 1.7 6.0 1572 1303 A 62 GLU HA A 62 GLU HG2 1.0 1.7 4.0 1573 1303 A 62 GLU HG3 A 62 GLU HA 1.0 1.7 4.0 1574 1304 A 78 THR HG2% A 72 LYS HB2 1.0 1.7 5.5 1575 1304 A 72 LYS HB3 A 78 THR HG2% 1.0 1.7 5.5 1576 1305 A 1 GLY HAy A 2 ASP H 1.0 1.7 4.0 1577 1306 A 31 ASN H A 30 PRO HA 1.0 1.7 3.0 1578 1307 A 94 LEU HA A 68 LEU HD1% 1.0 1.7 6.0 1579 1308 A 82 PHE H A 82 PHE HA 1.0 1.7 5.5 1580 1309 A 97 TYR HBx A 94 LEU HD1% 1.0 1.7 4.5 1581 1310 A 22 LYS HA A 22 LYS HB2 1.0 1.7 5.5 1582 1310 A 22 LYS HA A 22 LYS HB3 1.0 1.7 5.5 1583 1311 A 94 LEU HD1% A 14 CYS HBy 1.0 1.7 6.0 1584 1312 A 81 ILE HG2% A 82 PHE HA 1.0 1.7 6.0 1585 1313 A 21 GLU HA A 21 GLU HB2 1.0 1.7 4.0 1586 1313 A 21 GLU HB3 A 21 GLU HA 1.0 1.7 4.0 1587 1314 A 99 LYS H A 96 ALA HA 1.0 1.7 4.0 1588 1315 A 12 GLN HA A 11 VAL HG2% 1.0 1.7 4.5 1589 1316 A 49 THR H A 48 TYR HBx 1.0 1.7 4.0 1590 1317 A 63 THR HA A 66 GLU H 1.0 1.7 4.0 1591 1318 A 15 ALA HA A 10 PHE HD1 1.0 1.7 5.5 1592 1319 A 19 THR HB A 19 THR HG2% 1.0 1.7 4.5 1593 1320 A 63 THR HG2% A 63 THR H 1.0 1.7 3.5 1594 1321 A 16 GLN H A 12 GLN HA 1.0 1.7 5.5 1595 1322 A 51 ALA HB% A 52 ASN H 1.0 1.7 4.5 1596 1323 A 3 VAL HG1% A 2 ASP HA 1.0 1.7 4.5 1597 1324 A 11 VAL H A 11 VAL HG2% 1.0 1.7 3.5 1598 1325 A 16 GLN H A 16 GLN HA 1.0 1.7 3.0 1599 1326 A 95 ILE H A 98 LEU HD1% 1.0 1.7 6.0 1600 1327 A 95 ILE H A 94 LEU HBy 1.0 1.7 4.0 1601 1328 A 81 ILE HG2% A 82 PHE HA 1.0 1.7 6.0 1602 1329 A 69 GLU H A 69 GLU HG2 1.0 1.7 4.0 1603 1329 A 69 GLU H A 69 GLU HG3 1.0 1.7 4.0 1604 1330 A 64 LEU HG A 64 LEU HB2 1.0 1.7 4.0 1605 1330 A 64 LEU HB3 A 64 LEU HG 1.0 1.7 4.0 1606 1331 A 15 ALA HB% A 10 PHE HA 1.0 1.7 6.0 1607 1332 A 16 GLN H A 16 GLN HGx 1.0 1.7 4.0 1608 1333 A 56 GLY HA2 A 39 LYS HD2 1.0 1.7 5.5 1609 1333 A 39 LYS HD3 A 56 GLY HA2 1.0 1.7 5.5 1610 1334 A 31 ASN HA A 32 LEU HA 1.0 1.7 5.5 1611 1335 A 7 LYS HA A 97 TYR HD1 1.0 1.7 5.5 1612 1336 A 9 ILE HA A 9 ILE HD1% 1.0 1.7 4.5 1613 1337 A 81 ILE H A 81 ILE HG2% 1.0 1.7 6.0 1614 1338 A 98 LEU HA A 98 LEU HB2 1.0 1.7 5.5 1615 1338 A 98 LEU HA A 98 LEU HB3 1.0 1.7 5.5 1616 1339 A 49 THR H A 48 TYR HBy 1.0 1.7 4.0 1617 1340 A 2 ASP HA A 1 GLY HAx 1.0 1.7 5.5 1618 1341 A 103 ASN HBx A 103 ASN HA 1.0 1.7 3.0 1619 1342 A 81 ILE HA A 82 PHE HA 1.0 1.7 5.5 1620 1343 A 11 VAL H A 10 PHE HA 1.0 1.7 4.0 1621 1344 A 101 ALA HB% A 98 LEU HA 1.0 1.7 4.5 1622 1345 A 78 THR HA A 49 THR HA 1.0 1.7 5.5 1623 1346 A 100 LYS H A 97 TYR HA 1.0 1.7 4.0 1624 1347 A 78 THR HA A 51 ALA HB% 1.0 1.7 6.0 1625 1348 A 85 ILE HD1% A 68 LEU HD2% 1.0 1.7 6.0 1626 1349 A 10 PHE HA A 14 CYS HA 1.0 1.7 5.5 1627 1350 A 74 TYR HA A 74 TYR HBx 1.0 1.7 4.0 1628 1351 A 10 PHE HBy A 94 LEU HD1% 1.0 1.7 6.0 1629 1352 A 58 THR HA A 58 THR HG2% 1.0 1.7 3.5 1630 1353 A 38 ARG HB2 A 38 ARG HD2 1.0 1.7 4.0 1631 1353 A 38 ARG HB3 A 38 ARG HD2 1.0 1.7 4.0 1632 1353 A 38 ARG HD3 A 38 ARG HB2 1.0 1.7 4.0 1633 1353 A 38 ARG HB3 A 38 ARG HD3 1.0 1.7 4.0 1634 1354 A 4 GLU H A 2 ASP HA 1.0 1.7 3.0 1635 1355 A 12 GLN HGy A 12 GLN HGx 1.0 1.7 3.0 1636 1356 A 10 PHE HA A 10 PHE HD2 1.0 1.7 4.0 1637 1357 A 72 LYS H A 71 PRO HBx 1.0 1.7 5.5 1638 1358 A 12 GLN HGy A 12 GLN HGx 1.0 1.7 3.0 1639 1359 A 20 VAL H A 19 THR HA 1.0 1.7 4.0 1640 1360 A 12 GLN H A 12 GLN HGy 1.0 1.7 3.0 1641 1361 A 2 ASP HBx A 5 LYS HB2 1.0 1.7 4.0 1642 1361 A 2 ASP HBx A 5 LYS HB3 1.0 1.7 4.0 1643 1362 A 76 PRO HA A 76 PRO HB2 1.0 1.7 4.0 1644 1362 A 76 PRO HA A 76 PRO HB3 1.0 1.7 4.0 1645 1363 A 55 LYS HA A 54 ASN HA 1.0 1.7 5.5 1646 1364 A 13 LYS H A 12 GLN HA 1.0 1.7 4.0 1647 1365 A 94 LEU HD2% A 68 LEU HD2% 1.0 1.7 6.0 1648 1366 A 95 ILE HG2% A 95 ILE HA 1.0 1.7 4.5 1649 1367 A 94 LEU HD2% A 91 ARG HA 1.0 1.7 6.0 1650 1368 A 97 TYR HBx A 96 ALA HB% 1.0 1.7 6.0 1651 1369 A 27 LYS H A 26 HIS HA 1.0 1.7 4.0 1652 1370 A 78 THR HA A 79 LYS HA 1.0 1.7 5.0 1653 1371 A 76 PRO HDx A 76 PRO HDy 1.0 1.7 3.0 1654 1372 A 85 ILE HA A 85 ILE HG2% 1.0 1.7 4.5 1655 1373 A 72 LYS HA A 72 LYS HE2 1.0 1.7 4.0 1656 1373 A 72 LYS HA A 72 LYS HE3 1.0 1.7 4.0 1657 1374 A 1 GLY HAy A 92 GLU HB2 1.0 1.7 5.5 1658 1374 A 1 GLY HAy A 92 GLU HB3 1.0 1.7 5.5 1659 1375 A 14 CYS H A 11 VAL HA 1.0 1.7 5.5 1660 1376 A 72 LYS HA A 72 LYS HG2 1.0 1.7 4.0 1661 1376 A 72 LYS HA A 72 LYS HG3 1.0 1.7 4.0 1662 1377 A 9 ILE H A 9 ILE HG2% 1.0 1.7 6.0 1663 1378 A 42 GLN HA A 42 GLN H 1.0 1.7 4.0 1664 1379 A 64 LEU HD2% A 64 LEU HD1% 1.0 1.7 5.5 1665 1380 A 57 ILE H A 75 ILE HD1% 1.0 1.7 6.0 1666 1381 A 72 LYS HE3 A 72 LYS HG2 1.0 1.7 4.0 1667 1381 A 72 LYS HE2 A 72 LYS HG2 1.0 1.7 4.0 1668 1381 A 72 LYS HG3 A 72 LYS HE2 1.0 1.7 4.0 1669 1381 A 72 LYS HG3 A 72 LYS HE3 1.0 1.7 4.0 1670 1382 A 94 LEU HBx A 94 LEU HG 1.0 1.7 4.0 1671 1383 A 97 TYR HBy A 96 ALA HB% 1.0 1.7 6.0 1672 1384 A 79 LYS H A 78 THR HB 1.0 1.7 5.5 1673 1385 A 91 ARG HA A 68 LEU HD1% 1.0 1.7 6.0 1674 1386 A 49 THR HG2% A 49 THR HA 1.0 1.7 3.5 1675 1387 A 74 TYR HA A 74 TYR HD1 1.0 1.7 3.0 1676 1388 A 9 ILE H A 9 ILE HD1% 1.0 1.7 4.5 1677 1389 A 92 GLU HA A 65 MET HE% 1.0 1.7 3.5 1678 1390 A 35 LEU HD2% A 32 LEU HD2% 1.0 1.7 6.0 1679 1391 A 81 ILE HA A 81 ILE HG2% 1.0 1.7 4.5 1680 1392 A 99 LYS HA A 99 LYS HE2 1.0 1.7 5.5 1681 1392 A 99 LYS HA A 99 LYS HE3 1.0 1.7 5.5 1682 1393 A 87 LYS H A 85 ILE HG2% 1.0 1.7 4.5 1683 1394 A 22 LYS HB3 A 22 LYS HG2 1.0 1.7 4.0 1684 1394 A 22 LYS HB2 A 22 LYS HG2 1.0 1.7 4.0 1685 1394 A 22 LYS HG3 A 22 LYS HB2 1.0 1.7 4.0 1686 1394 A 22 LYS HB3 A 22 LYS HG3 1.0 1.7 4.0 1687 1395 A 6 GLY HAx A 6 GLY HAy 1.0 1.7 5.5 1688 1396 A 35 LEU HD2% A 98 LEU HD2% 1.0 1.7 6.0 1689 1397 A 16 GLN HA A 16 GLN HGy 1.0 1.7 4.0 1690 1398 A 59 TRP HE1 A 40 THR HG2% 1.0 1.7 6.0 1691 1399 A 49 THR HG2% A 48 TYR HBx 1.0 1.7 6.0 1692 1400 A 35 LEU HD2% A 98 LEU HD1% 1.0 1.7 6.0 1693 1401 A 92 GLU HA A 92 GLU HB2 1.0 1.7 5.5 1694 1401 A 92 GLU HA A 92 GLU HB3 1.0 1.7 5.5 1695 1402 A 32 LEU HB2 A 20 VAL HA 1.0 1.7 4.0 1696 1403 A 47 THR H A 47 THR HA 1.0 1.7 4.0 1697 1404 A 60 LYS HA A 60 LYS HDy 1.0 1.7 5.5 1698 1405 A 68 LEU HG A 68 LEU HD2% 1.0 1.7 6.0 1699 1406 A 94 LEU HD1% A 68 LEU HD1% 1.0 1.7 6.0 1700 1407 A 45 GLY HAx A 45 GLY HAy 1.0 1.7 3.0 1701 1408 A 64 LEU HD2% A 68 LEU HD2% 1.0 1.7 6.0 1702 1409 A 103 ASN HBy A 103 ASN HA 1.0 1.7 3.0 1703 1410 A 54 ASN H A 50 ASP HA 1.0 1.7 4.0 1704 1411 A 12 GLN H A 11 VAL HB 1.0 1.7 4.0 1705 1412 A 102 THR HA A 20 VAL HG2% 1.0 1.7 5.5 1706 1413 A 51 ALA HB% A 50 ASP HB2 1.0 1.7 6.0 1707 1413 A 51 ALA HB% A 50 ASP HB3 1.0 1.7 6.0 1708 1414 A 94 LEU HD1% A 9 ILE HB 1.0 1.7 3.5 1709 1415 A 68 LEU H A 64 LEU HD2% 1.0 1.7 6.0 1710 1416 A 19 THR HB A 20 VAL HG2% 1.0 1.7 6.0 1711 1417 A 68 LEU HD1% A 68 LEU HG 1.0 1.7 6.0 1712 1418 A 10 PHE HA A 94 LEU HD1% 1.0 1.7 6.0 1713 1419 A 31 ASN H A 32 LEU HD2% 1.0 1.7 6.0 1714 1420 A 101 ALA H A 101 ALA HA 1.0 1.7 3.0 1715 1421 A 26 HIS H A 19 THR HG2% 1.0 1.7 6.0 1716 1422 A 81 ILE HD1% A 81 ILE HG12 1.0 1.7 3.5 1717 1423 A 57 ILE HG12 A 57 ILE HB 1.0 1.7 5.5 1718 1424 A 15 ALA HB% A 16 GLN H 1.0 1.7 6.0 1719 1425 A 24 GLY HAy A 21 GLU HG2 1.0 1.7 5.5 1720 1425 A 21 GLU HG3 A 24 GLY HAy 1.0 1.7 5.5 1721 1426 A 19 THR HB A 19 THR HG2% 1.0 1.7 3.5 1722 1427 A 26 HIS HBx A 26 HIS HA 1.0 1.7 4.0 1723 1428 A 74 TYR HBy A 74 TYR HBx 1.0 1.7 5.5 1724 1429 A 96 ALA HB% A 95 ILE HB 1.0 1.7 6.0 1725 1430 A 54 ASN HD2y A 54 ASN HA 1.0 1.7 5.5 1726 1431 A 95 ILE H A 94 LEU HBx 1.0 1.7 5.5 1727 1432 A 57 ILE H A 57 ILE HA 1.0 1.7 4.0 1728 1433 A 61 GLU HB3 A 61 GLU HG2 1.0 1.7 3.0 1729 1433 A 61 GLU HB2 A 61 GLU HG2 1.0 1.7 3.0 1730 1433 A 61 GLU HG3 A 61 GLU HB3 1.0 1.7 3.0 1731 1433 A 61 GLU HG3 A 61 GLU HB2 1.0 1.7 3.0 1732 1434 A 69 GLU H A 68 LEU HD2% 1.0 1.7 6.0 1733 1435 A 103 ASN H A 103 ASN HA 1.0 1.7 3.0 1734 1436 A 70 ASN HB2 A 71 PRO HDx 1.0 1.7 5.5 1735 1437 A 84 GLY HAx A 84 GLY HAy 1.0 1.7 4.0 1736 1438 A 55 LYS HA A 55 LYS HB2 1.0 1.7 3.0 1737 1438 A 55 LYS HA A 55 LYS HB3 1.0 1.7 3.0 1738 1439 A 58 THR H A 40 THR HG2% 1.0 1.7 6.0 1739 1440 A 76 PRO HG3 A 76 PRO HDy 1.0 1.7 4.0 1740 1440 A 76 PRO HDy A 76 PRO HG2 1.0 1.7 4.0 1741 1441 A 59 TRP H A 57 ILE HD1% 1.0 1.7 6.0 1742 1442 A 10 PHE HA A 9 ILE HB 1.0 1.7 5.5 1743 1443 A 11 VAL HG1% A 10 PHE HD1 1.0 1.7 6.0 1744 1444 A 46 PHE HBy A 46 PHE HA 1.0 1.7 4.0 1745 1445 A 35 LEU HG A 35 LEU HA 1.0 1.7 3.0 1746 1446 A 72 LYS H A 72 LYS HB2 1.0 1.7 4.0 1747 1446 A 72 LYS H A 72 LYS HB3 1.0 1.7 4.0 1748 1447 A 9 ILE HG2% A 13 LYS HB2 1.0 1.7 4.0 1749 1447 A 9 ILE HG2% A 13 LYS HB3 1.0 1.7 4.0 1750 1448 A 31 ASN HBy A 31 ASN HBx 1.0 1.7 3.0 1751 1449 A 68 LEU HG A 68 LEU HB3 1.0 1.7 5.5 1752 1449 A 68 LEU HG A 68 LEU HB2 1.0 1.7 5.5 1753 1450 A 90 GLU H A 9 ILE HD1% 1.0 1.7 6.0 1754 1451 A 98 LEU H A 97 TYR HA 1.0 1.7 4.0 1755 1452 A 39 LYS HA A 39 LYS HE2 1.0 1.7 5.5 1756 1452 A 39 LYS HA A 39 LYS HE3 1.0 1.7 5.5 1757 1453 A 67 TYR HBy A 64 LEU HD2% 1.0 1.7 6.0 1758 1454 A 97 TYR HBx A 101 ALA HB% 1.0 1.7 6.0 1759 1455 A 92 GLU H A 88 LYS HA 1.0 1.7 4.0 1760 1456 A 88 LYS H A 88 LYS HA 1.0 1.7 5.5 1761 1457 A 32 LEU H A 31 ASN HA 1.0 1.7 4.0 1762 1458 A 11 VAL HB A 11 VAL HG1% 1.0 1.7 3.5 1763 1459 A 77 GLY HAy A 76 PRO HA 1.0 1.7 5.5 1764 1460 A 96 ALA H A 97 TYR HBx 1.0 1.7 5.5 1765 1461 A 95 ILE HG2% A 68 LEU HD1% 1.0 1.7 6.0 1766 1462 A 97 TYR HBx A 94 LEU HA 1.0 1.7 4.0 1767 1463 A 96 ALA H A 96 ALA HB% 1.0 1.7 3.5 1768 1464 A 42 GLN H A 43 ALA HB% 1.0 1.7 4.5 1769 1465 A 72 LYS HA A 71 PRO HA 1.0 1.7 5.5 1770 1466 A 78 THR HG2% A 72 LYS HG2 1.0 1.7 5.5 1771 1466 A 72 LYS HG3 A 78 THR HG2% 1.0 1.7 5.5 1772 1467 A 10 PHE HBx A 10 PHE HD1 1.0 1.7 5.5 1773 1468 A 95 ILE HD1% A 68 LEU HD2% 1.0 1.7 6.0 1774 1469 A 55 LYS H A 56 GLY HA2 1.0 1.7 5.5 1775 1470 A 94 LEU H A 91 ARG HA 1.0 1.7 4.0 1776 1471 A 12 GLN HE2x A 12 GLN HGx 1.0 1.7 4.0 1777 1472 A 64 LEU HD2% A 64 LEU HG 1.0 1.7 3.5 1778 1473 A 63 THR HG2% A 64 LEU H 1.0 1.7 4.5 1779 1474 A 57 ILE HG2% A 57 ILE HB 1.0 1.7 3.5 1780 1475 A 63 THR HG2% A 63 THR HB 1.0 1.7 6.0 1781 1476 A 81 ILE HG2% A 81 ILE HB 1.0 1.7 4.5 1782 1477 A 94 LEU HD2% A 94 LEU HD1% 1.0 1.7 5.5 1783 1478 A 35 LEU HG A 64 LEU HD1% 1.0 1.7 4.5 1784 1479 A 102 THR HG2% A 102 THR HB 1.0 1.7 6.0 1785 1480 A 29 GLY H A 28 THR HB 1.0 1.7 4.0 1786 1481 A 95 ILE HA A 98 LEU HD1% 1.0 1.7 6.0 1787 1482 A 94 LEU H A 94 LEU HD1% 1.0 1.7 5.5 1788 1483 A 49 THR HG2% A 50 ASP H 1.0 1.7 6.0 1789 1484 A 58 THR H A 57 ILE HG2% 1.0 1.7 4.5 1790 1485 A 16 GLN H A 16 GLN HBx 1.0 1.7 4.0 1791 1486 A 36 PHE HA A 36 PHE HBx 1.0 1.7 4.0 1792 1487 A 65 MET HA A 68 LEU HB3 1.0 1.7 4.0 1793 1488 A 92 GLU HA A 92 GLU HG2 1.0 1.7 5.5 1794 1488 A 92 GLU HG3 A 92 GLU HA 1.0 1.7 5.5 1795 1489 A 22 LYS H A 21 GLU HB2 1.0 1.7 4.0 1796 1489 A 22 LYS H A 21 GLU HB3 1.0 1.7 4.0 1797 1490 A 31 ASN HBy A 31 ASN HBx 1.0 1.7 3.0 1798 1491 A 12 GLN H A 12 GLN HA 1.0 1.7 3.0 1799 1492 A 10 PHE H A 9 ILE HB 1.0 1.7 3.0 1800 1493 A 53 LYS H A 48 TYR HBx 1.0 1.7 4.0 1801 1494 A 97 TYR HBy A 97 TYR HA 1.0 1.7 3.0 1802 1495 A 40 THR H A 40 THR HB 1.0 1.7 4.0 1803 1496 A 101 ALA HB% A 20 VAL HB 1.0 1.7 4.5 1804 1497 A 65 MET HA A 65 MET HGx 1.0 1.7 4.0 1805 1498 A 68 LEU HD1% A 85 ILE HD1% 1.0 1.7 6.0 1806 1499 A 59 TRP HA A 64 LEU HB2 1.0 1.7 6.0 1807 1499 A 64 LEU HB3 A 59 TRP HA 1.0 1.7 6.0 1808 1500 A 85 ILE HG2% A 90 GLU HG2 1.0 1.7 5.5 1809 1500 A 90 GLU HG3 A 85 ILE HG2% 1.0 1.7 5.5 1810 1501 A 21 GLU H A 19 THR HB 1.0 1.7 4.0 1811 1502 A 72 LYS HA A 73 LYS HA 1.0 1.7 5.5 1812 1503 A 31 ASN HA A 19 THR HG2% 1.0 1.7 6.0 1813 1504 A 47 THR HG2% A 47 THR HA 1.0 1.7 6.0 1814 1505 A 35 LEU HD2% A 64 LEU HG 1.0 1.7 3.5 1815 1506 A 2 ASP H A 1 GLY HAx 1.0 1.7 4.0 1816 1507 A 65 MET HE% A 88 LYS HE2 1.0 1.7 4.0 1817 1507 A 65 MET HE% A 88 LYS HE3 1.0 1.7 4.0 1818 1508 A 75 ILE HG2% A 78 THR HB 1.0 1.7 6.0 1819 1509 A 48 TYR HA A 48 TYR HBx 1.0 1.7 4.0 1820 1510 A 41 GLY HAy A 53 LYS HA 1.0 1.7 4.0 1821 1511 A 10 PHE H A 12 GLN HGx 1.0 1.7 4.0 1822 1512 A 94 LEU HD2% A 94 LEU HBx 1.0 1.7 4.5 1823 1513 A 67 TYR HD2 A 68 LEU HB3 1.0 1.7 5.5 1824 1513 A 68 LEU HB2 A 67 TYR HD2 1.0 1.7 5.5 1825 1514 A 73 LYS HA A 73 LYS HB2 1.0 1.7 3.0 1826 1514 A 73 LYS HB3 A 73 LYS HA 1.0 1.7 3.0 1827 1515 A 48 TYR H A 47 THR HA 1.0 1.7 3.0 1828 1516 A 7 LYS H A 4 GLU HA 1.0 1.7 4.0 1829 1517 A 58 THR HG2% A 58 THR HB 1.0 1.7 3.5 1830 1518 A 20 VAL H A 20 VAL HG1% 1.0 1.7 4.5 1831 1519 A 11 VAL H A 11 VAL HG1% 1.0 1.7 4.5 1832 1520 A 62 GLU H A 61 GLU HG2 1.0 1.7 5.5 1833 1520 A 61 GLU HG3 A 62 GLU H 1.0 1.7 5.5 1834 1521 A 7 LYS H A 6 GLY HAx 1.0 1.7 4.0 1835 1522 A 6 GLY H A 6 GLY HAx 1.0 1.7 4.0 1836 1523 A 68 LEU H A 68 LEU HD2% 1.0 1.7 6.0 1837 1524 A 49 THR HB A 50 ASP HB2 1.0 1.7 5.5 1838 1524 A 49 THR HB A 50 ASP HB3 1.0 1.7 5.5 1839 1525 A 12 GLN HGy A 12 GLN HB2 1.0 1.7 3.0 1840 1525 A 12 GLN HB3 A 12 GLN HGy 1.0 1.7 3.0 1841 1526 A 95 ILE HD1% A 68 LEU HB3 1.0 1.7 5.5 1842 1526 A 95 ILE HD1% A 68 LEU HB2 1.0 1.7 5.5 1843 1527 A 102 THR HG2% A 32 LEU HD2% 1.0 1.7 6.0 1844 1528 A 49 THR HB A 49 THR H 1.0 1.7 4.0 1845 1529 A 13 LYS H A 12 GLN HGy 1.0 1.7 5.5 1846 1530 A 77 GLY H A 76 PRO HA 1.0 1.7 3.0 1847 1531 A 98 LEU HA A 20 VAL HG1% 1.0 1.7 6.0 1848 1532 A 75 ILE HD1% A 74 TYR HBx 1.0 1.7 6.0 1849 1533 A 20 VAL HG2% A 10 PHE HE2 1.0 1.7 6.0 1850 1534 A 37 GLY HAx A 37 GLY HAy 1.0 1.7 3.0 1851 1535 A 17 CYS HA A 16 GLN HA 1.0 1.7 5.5 1852 1536 A 15 ALA HB% A 11 VAL HA 1.0 1.7 3.5 1853 1537 A 95 ILE HG2% A 96 ALA HA 1.0 1.7 4.5 1854 1538 A 65 MET HA A 65 MET HE% 1.0 2.7 5.0 1855 1539 A 104 GLU H A 103 ASN HBy 1.0 1.7 3.0 1856 1540 A 102 THR H A 101 ALA HB% 1.0 1.7 4.5 1857 1541 A 94 LEU HD2% A 9 ILE HG2% 1.0 1.7 5.5 1858 1542 A 73 LYS H A 72 LYS HG2 1.0 1.7 5.5 1859 1542 A 73 LYS H A 72 LYS HG3 1.0 1.7 5.5 1860 1543 A 22 LYS H A 22 LYS HB2 1.0 1.7 4.0 1861 1543 A 22 LYS H A 22 LYS HB3 1.0 1.7 4.0 1862 1544 A 53 LYS H A 48 TYR HBy 1.0 1.7 5.5 1863 1545 A 51 ALA HB% A 50 ASP H 1.0 1.7 6.0 1864 1546 A 21 GLU HB2 A 21 GLU HG2 1.0 1.7 3.0 1865 1546 A 21 GLU HG3 A 21 GLU HB2 1.0 1.7 3.0 1866 1546 A 21 GLU HB3 A 21 GLU HG3 1.0 1.7 3.0 1867 1546 A 21 GLU HB3 A 21 GLU HG2 1.0 1.7 3.0 1868 1547 A 94 LEU HA A 95 ILE H 1.0 1.7 4.0 1869 1548 A 8 LYS H A 5 LYS HA 1.0 1.7 3.0 1870 1549 A 89 THR HB A 89 THR HG2% 1.0 1.7 3.5 1871 1550 A 103 ASN HD2x A 103 ASN HBy 1.0 1.7 3.0 1872 1551 A 60 LYS HA A 60 LYS HB2 1.0 1.7 4.0 1873 1551 A 60 LYS HA A 60 LYS HB3 1.0 1.7 4.0 1874 1552 A 48 TYR HA A 47 THR HG2% 1.0 1.7 6.0 1875 1553 A 9 ILE HD1% A 6 GLY HAx 1.0 1.7 4.5 1876 1554 A 20 VAL HA A 32 LEU HD2% 1.0 1.7 6.0 1877 1555 A 57 ILE HD1% A 57 ILE HB 1.0 1.7 3.5 1878 1556 A 50 ASP HB3 A 53 LYS HD2 1.0 1.7 5.5 1879 1556 A 50 ASP HB2 A 53 LYS HD2 1.0 1.7 5.5 1880 1556 A 53 LYS HD3 A 50 ASP HB2 1.0 1.7 5.5 1881 1556 A 53 LYS HD3 A 50 ASP HB3 1.0 1.7 5.5 1882 1557 A 59 TRP HBx A 59 TRP HBy 1.0 1.7 5.5 1883 1558 A 52 ASN HA A 52 ASN HB2 1.0 1.7 4.0 1884 1558 A 52 ASN HA A 52 ASN HB3 1.0 1.7 4.0 1885 1559 A 43 ALA HB% A 45 GLY HAy 1.0 1.7 6.0 1886 1560 A 74 TYR HD1 A 73 LYS HE2 1.0 1.7 5.5 1887 1560 A 74 TYR HD1 A 73 LYS HE3 1.0 1.7 5.5 1888 1561 A 64 LEU HD2% A 68 LEU HA 1.0 1.7 6.0 1889 1562 A 73 LYS HA A 76 PRO HDx 1.0 1.7 4.0 1890 1563 A 42 GLN HE2y A 38 ARG HD2 1.0 1.7 5.5 1891 1563 A 42 GLN HE2y A 38 ARG HD3 1.0 1.7 5.5 1892 1564 A 89 THR HG2% A 88 LYS HE2 1.0 1.7 5.5 1893 1564 A 89 THR HG2% A 88 LYS HE3 1.0 1.7 5.5 1894 1565 A 75 ILE H A 74 TYR HBx 1.0 1.7 5.5 1895 1566 A 58 THR H A 58 THR HG2% 1.0 1.7 4.5 1896 1567 A 1 GLY HAy A 1 GLY HAx 1.0 1.7 3.0 1897 1568 A 43 ALA H A 43 ALA HB% 1.0 1.7 3.5 1898 1569 A 103 ASN HBy A 103 ASN HD2y 1.0 1.7 4.0 1899 1570 A 68 LEU HG A 68 LEU HA 1.0 1.7 4.0 1900 1571 A 55 LYS H A 54 ASN HBy 1.0 1.7 4.0 1901 1572 A 64 LEU HD1% A 95 ILE HB 1.0 1.7 6.0 1902 1573 A 97 TYR H A 95 ILE HG2% 1.0 1.7 6.0 1903 1574 A 50 ASP H A 50 ASP HB2 1.0 1.7 4.0 1904 1574 A 50 ASP H A 50 ASP HB3 1.0 1.7 4.0 1905 1575 A 16 GLN HBx A 16 GLN HBy 1.0 1.7 3.0 1906 1576 A 64 LEU HD2% A 67 TYR HD2 1.0 1.7 6.0 1907 1577 A 14 CYS HA A 14 CYS HBy 1.0 1.7 4.0 1908 1578 A 14 CYS HBx A 20 VAL HG1% 1.0 1.7 4.5 1909 1579 A 64 LEU HD1% A 67 TYR HD2 1.0 1.7 6.0 1910 1580 A 70 ASN H A 71 PRO HDx 1.0 1.7 4.0 1911 1581 A 57 ILE HD1% A 39 LYS HA 1.0 1.7 6.0 1912 1582 A 98 LEU HD1% A 94 LEU HBx 1.0 1.7 6.0 1913 1583 A 99 LYS H A 101 ALA HB% 1.0 1.7 6.0 1914 1584 A 95 ILE H A 68 LEU HD1% 1.0 1.7 6.0 1915 1585 A 102 THR HB A 36 PHE HEy 1.0 1.7 4.0 1916 1586 A 81 ILE HG2% A 81 ILE HG12 1.0 1.7 3.5 1917 1587 A 9 ILE H A 9 ILE HG12 1.0 1.7 4.0 1918 1588 A 28 THR HG2% A 29 GLY HA2 1.0 1.7 6.0 1919 1588 A 29 GLY HA3 A 28 THR HG2% 1.0 1.7 6.0 1920 1589 A 98 LEU HA A 97 TYR HA 1.0 1.7 5.5 1921 1590 A 9 ILE HG2% A 9 ILE HD1% 1.0 1.7 5.5 1922 1591 A 80 MET H A 78 THR HG2% 1.0 1.7 6.0 1923 1592 A 4 GLU H A 5 LYS HB2 1.0 1.7 5.5 1924 1592 A 4 GLU H A 5 LYS HB3 1.0 1.7 5.5 1925 1593 A 35 LEU HD2% A 35 LEU HB2 1.0 1.7 5.5 1926 1593 A 35 LEU HB3 A 35 LEU HD2% 1.0 1.7 5.5 1927 1594 A 35 LEU HD2% A 36 PHE HEy 1.0 1.7 6.0 1928 1595 A 6 GLY HAx A 3 VAL HA 1.0 1.7 5.5 1929 1596 A 64 LEU HD1% A 99 LYS HG2 1.0 1.7 5.5 1930 1596 A 99 LYS HG3 A 64 LEU HD1% 1.0 1.7 5.5 1931 1597 A 95 ILE HG2% A 96 ALA HB% 1.0 1.7 6.0 1932 1598 A 41 GLY H A 40 THR HG2% 1.0 1.7 6.0 1933 1599 A 19 THR HB A 20 VAL HG1% 1.0 1.7 6.0 1934 1600 A 14 CYS HBx A 14 CYS HA 1.0 1.7 3.0 1935 1601 A 9 ILE HG2% A 8 LYS HD2 1.0 1.7 6.0 1936 1601 A 8 LYS HD3 A 9 ILE HG2% 1.0 1.7 6.0 1937 1602 A 64 LEU HD2% A 35 LEU HD2% 1.0 1.7 6.0 1938 1603 A 16 GLN HGx A 16 GLN HA 1.0 1.7 4.0 1939 1604 A 54 ASN HA A 53 LYS HG2 1.0 1.7 5.5 1940 1604 A 53 LYS HG3 A 54 ASN HA 1.0 1.7 5.5 1941 1605 A 63 THR HA A 65 MET H 1.0 1.7 5.5 1942 1606 A 96 ALA HB% A 96 ALA HA 1.0 1.7 3.5 1943 1607 A 15 ALA HB% A 11 VAL HA 1.0 1.7 3.5 1944 1608 A 62 GLU HA A 62 GLU HB2 1.0 1.7 3.0 1945 1608 A 62 GLU HA A 62 GLU HB3 1.0 1.7 3.0 1946 1609 A 30 PRO HA A 30 PRO HB3 1.0 1.7 3.0 1947 1610 A 20 VAL HG2% A 21 GLU HB2 1.0 1.7 5.5 1948 1610 A 21 GLU HB3 A 20 VAL HG2% 1.0 1.7 5.5 1949 1611 A 89 THR HG2% A 88 LYS HB2 1.0 1.7 5.5 1950 1611 A 88 LYS HB3 A 89 THR HG2% 1.0 1.7 5.5 1951 1612 A 95 ILE HA A 95 ILE HB 1.0 1.7 5.5 1952 1613 A 100 LYS H A 101 ALA HA 1.0 1.7 5.5 1953 1614 A 28 THR HB A 17 CYS HBx 1.0 1.7 4.0 1954 1615 A 89 THR HB A 89 THR H 1.0 1.7 4.0 1955 1616 A 57 ILE HG12 A 57 ILE HD1% 1.0 1.7 4.5 1956 1617 A 92 GLU HA A 91 ARG HA 1.0 1.7 5.5 1957 1618 A 10 PHE H A 10 PHE HBx 1.0 1.7 4.0 1958 1619 A 36 PHE HD1 A 36 PHE HBy 1.0 1.7 4.0 1959 1620 A 16 GLN H A 16 GLN HBy 1.0 1.7 4.0 1960 1621 A 67 TYR HBy A 67 TYR HD2 1.0 1.7 5.5 1961 1622 A 57 ILE HG12 A 57 ILE HG2% 1.0 1.7 3.5 1962 1623 A 26 HIS HD2 A 45 GLY HAx 1.0 1.7 5.5 1963 1624 A 57 ILE HG12 A 57 ILE H 1.0 1.7 4.0 1964 1625 A 12 GLN H A 11 VAL HG2% 1.0 1.7 4.5 1965 1626 A 32 LEU H A 20 VAL HA 1.0 1.7 4.0 1966 1627 A 22 LYS HA A 23 GLY H 1.0 1.7 4.0 1967 1628 A 96 ALA H A 3 VAL HA 1.0 1.7 5.5 1968 1629 A 18 HIS H A 15 ALA HA 1.0 1.7 4.0 1969 1630 A 21 GLU H A 20 VAL HA 1.0 1.7 4.0 1970 1631 A 95 ILE HG2% A 95 ILE HB 1.0 1.7 3.5 1971 1632 A 54 ASN HD2x A 54 ASN HA 1.0 1.7 5.5 1972 1633 A 58 THR HG2% A 37 GLY HAy 1.0 1.7 4.5 1973 1634 A 102 THR H A 98 LEU HD2% 1.0 1.7 6.0 1974 1635 A 96 ALA HB% A 1 GLY HAx 1.0 1.7 4.5 1975 1636 A 3 VAL H A 3 VAL HB 1.0 1.7 3.0 1976 1637 A 15 ALA HB% A 11 VAL HG1% 1.0 1.7 6.0 1977 1638 A 64 LEU HD2% A 64 LEU HD1% 1.0 1.7 5.5 1978 1639 A 93 ASP H A 93 ASP HA 1.0 1.7 3.0 1979 1640 A 63 THR HA A 63 THR HG2% 1.0 1.7 3.5 1980 1641 A 85 ILE H A 85 ILE HB 1.0 1.7 5.5 1981 1642 A 40 THR HG2% A 57 ILE H 1.0 1.7 3.5 1982 1643 A 82 PHE H A 81 ILE HG2% 1.0 1.7 4.5 1983 1644 A 59 TRP HD1 A 58 THR HG2% 1.0 1.7 6.0 1984 1645 A 2 ASP HBx A 2 ASP HBy 1.0 1.7 3.0 1985 1646 A 40 THR HA A 40 THR HG2% 1.0 1.7 3.5 1986 1647 A 94 LEU HD2% A 94 LEU H 1.0 1.7 6.0 1987 1648 A 96 ALA HA A 99 LYS HD2 1.0 1.7 5.5 1988 1648 A 99 LYS HD3 A 96 ALA HA 1.0 1.7 5.5 1989 1649 A 13 LYS HA A 13 LYS HB2 1.0 1.7 3.0 1990 1649 A 13 LYS HA A 13 LYS HB3 1.0 1.7 3.0 1991 1650 A 68 LEU HD1% A 98 LEU HG 1.0 1.7 6.0 1992 1651 A 14 CYS H A 14 CYS HA 1.0 1.7 3.0 1993 1652 A 20 VAL HA A 20 VAL HG1% 1.0 1.7 4.5 1994 1653 A 89 THR HG2% A 88 LYS H 1.0 1.7 6.0 1995 1654 A 29 GLY H A 28 THR HA 1.0 1.7 4.0 1996 1655 A 82 PHE HD% A 82 PHE HA 1.0 1.7 5.5 1997 1656 A 100 LYS HA A 100 LYS HB2 1.0 1.7 3.0 1998 1656 A 100 LYS HB3 A 100 LYS HA 1.0 1.7 3.0 1999 1657 A 103 ASN H A 101 ALA HB% 1.0 1.7 4.5 2000 1658 A 95 ILE HA A 98 LEU HB2 1.0 1.7 5.5 2001 1658 A 95 ILE HA A 98 LEU HB3 1.0 1.7 5.5 2002 1659 A 65 MET HA A 68 LEU HD1% 1.0 1.7 6.0 2003 1660 A 96 ALA H A 93 ASP HA 1.0 1.7 4.0 2004 1661 A 91 ARG H A 9 ILE HD1% 1.0 1.7 6.0 2005 1662 A 38 ARG HA A 38 ARG HD2 1.0 1.7 5.5 2006 1662 A 38 ARG HA A 38 ARG HD3 1.0 1.7 5.5 2007 1663 A 24 GLY HAx A 25 LYS HA 1.0 1.7 5.5 2008 1664 A 8 LYS H A 11 VAL HG2% 1.0 1.7 6.0 2009 1665 A 35 LEU HD1% A 59 TRP HD1 1.0 1.7 6.0 2010 1666 A 40 THR HA A 40 THR HB 1.0 1.7 3.0 2011 1667 A 97 TYR HA A 97 TYR HD1 1.0 1.7 5.5 2012 1668 A 32 LEU HB2 A 35 LEU HB2 1.0 1.7 5.5 2013 1668 A 32 LEU HB2 A 35 LEU HB3 1.0 1.7 5.5 2014 1669 A 95 ILE HD1% A 95 ILE HA 1.0 1.7 6.0 2015 1670 A 97 TYR HBx A 97 TYR HA 1.0 1.7 3.0 2016 1671 A 64 LEU HA A 64 LEU HB2 1.0 1.7 5.5 2017 1671 A 64 LEU HB3 A 64 LEU HA 1.0 1.7 5.5 2018 1672 A 3 VAL HG2% A 3 VAL HB 1.0 1.7 3.5 2019 1673 A 59 TRP HE1 A 40 THR HB 1.0 1.7 5.5 2020 1674 A 65 MET HA A 95 ILE HD1% 1.0 1.7 4.5 2021 1675 A 94 LEU H A 9 ILE HG2% 1.0 1.7 6.0 2022 1676 A 67 TYR HBy A 67 TYR HA 1.0 1.7 5.5 2023 1677 A 81 ILE HB A 81 ILE HD1% 1.0 1.7 3.5 2024 1678 A 8 LYS H A 11 VAL HG1% 1.0 1.7 6.0 2025 1679 A 50 ASP HA A 53 LYS HB2 1.0 1.7 3.0 2026 1679 A 53 LYS HB3 A 50 ASP HA 1.0 1.7 3.0 2027 1680 A 98 LEU HD2% A 20 VAL HG2% 1.0 1.7 5.5 2028 1681 A 72 LYS HB2 A 72 LYS HE2 1.0 1.7 5.5 2029 1681 A 72 LYS HB3 A 72 LYS HE2 1.0 1.7 5.5 2030 1681 A 72 LYS HE3 A 72 LYS HB2 1.0 1.7 5.5 2031 1681 A 72 LYS HB3 A 72 LYS HE3 1.0 1.7 5.5 2032 1682 A 77 GLY H A 77 GLY HAx 1.0 1.7 4.0 2033 1683 A 40 THR HA A 41 GLY HAx 1.0 1.7 5.5 2034 1684 A 68 LEU HD1% A 67 TYR HD2 1.0 1.7 6.0 2035 1685 A 81 ILE HA A 81 ILE HG2% 1.0 1.7 3.5 2036 1686 A 100 LYS H A 101 ALA HB% 1.0 1.7 6.0 2037 1687 A 47 THR HB A 47 THR HA 1.0 1.7 3.0 2038 1688 A 40 THR HG2% A 75 ILE HD1% 1.0 1.7 6.0 2039 1689 A 15 ALA HB% A 15 ALA HA 1.0 1.7 3.5 2040 1690 A 10 PHE H A 10 PHE HA 1.0 1.7 4.0 2041 1691 A 9 ILE H A 8 LYS HB2 1.0 1.7 4.0 2042 1691 A 9 ILE H A 8 LYS HB3 1.0 1.7 4.0 2043 1692 A 101 ALA HB% A 20 VAL HG2% 1.0 1.7 5.5 2044 1693 A 90 GLU H A 85 ILE HG2% 1.0 1.7 5.5 2045 1694 A 31 ASN HA A 31 ASN HBx 1.0 1.7 4.0 2046 1695 A 94 LEU HA A 94 LEU HD1% 1.0 1.7 4.5 2047 1696 A 84 GLY HAy A 71 PRO HG2 1.0 1.7 4.0 2048 1697 A 91 ARG HA A 94 LEU HD1% 1.0 1.7 6.0 2049 1698 A 89 THR HB A 90 GLU HG2 1.0 1.7 5.5 2050 1698 A 89 THR HB A 90 GLU HG3 1.0 1.7 5.5 2051 1699 A 101 ALA HA A 101 ALA HB% 1.0 1.7 3.5 2052 1700 A 45 GLY HAy A 45 GLY H 1.0 1.7 5.5 2053 1701 A 7 LYS HA A 97 TYR HD2 1.0 1.7 5.5 2054 1702 A 95 ILE HG2% A 99 LYS HG2 1.0 1.7 6.0 2055 1702 A 99 LYS HG3 A 95 ILE HG2% 1.0 1.7 6.0 2056 1703 A 22 LYS HA A 23 GLY HAy 1.0 1.7 5.5 2057 1704 A 27 LYS H A 19 THR HG2% 1.0 1.7 6.0 2058 1705 A 78 THR HG2% A 79 LYS HA 1.0 1.7 5.5 2059 1706 A 20 VAL H A 21 GLU HG2 1.0 1.7 5.5 2060 1706 A 20 VAL H A 21 GLU HG3 1.0 1.7 5.5 2061 1707 A 43 ALA HB% A 44 PRO HD2 1.0 1.7 5.5 2062 1707 A 43 ALA HB% A 44 PRO HD3 1.0 1.7 5.5 2063 1708 A 9 ILE HD1% A 8 LYS HD2 1.0 1.7 5.5 2064 1708 A 8 LYS HD3 A 9 ILE HD1% 1.0 1.7 5.5 2065 1709 A 95 ILE HD1% A 61 GLU HG2 1.0 1.7 5.5 2066 1709 A 61 GLU HG3 A 95 ILE HD1% 1.0 1.7 5.5 2067 1710 A 36 PHE HA A 36 PHE HBy 1.0 1.7 4.0 2068 1711 A 75 ILE HG2% A 51 ALA HA 1.0 1.7 4.5 2069 1712 A 47 THR HG2% A 47 THR HB 1.0 1.7 3.5 2070 1713 A 75 ILE HG2% A 78 THR H 1.0 1.7 6.0 2071 1714 A 9 ILE HG2% A 90 GLU HG2 1.0 1.7 6.0 2072 1714 A 9 ILE HG2% A 90 GLU HG3 1.0 1.7 6.0 2073 1715 A 64 LEU HD1% A 64 LEU HB2 1.0 1.7 5.5 2074 1715 A 64 LEU HB3 A 64 LEU HD1% 1.0 1.7 5.5 2075 1716 A 12 GLN H A 9 ILE HA 1.0 1.7 4.0 2076 1717 A 12 GLN HA A 12 GLN HGx 1.0 1.7 4.0 2077 1718 A 2 ASP HBx A 5 LYS H 1.0 1.7 4.0 2078 1719 A 63 THR HG2% A 63 THR HB 1.0 1.7 3.5 2079 1720 A 92 GLU H A 91 ARG HA 1.0 1.7 5.5 2080 1721 A 85 ILE HD1% A 90 GLU HG2 1.0 1.7 5.5 2081 1721 A 90 GLU HG3 A 85 ILE HD1% 1.0 1.7 5.5 2082 1722 A 22 LYS H A 21 GLU HA 1.0 1.7 3.0 2083 1723 A 99 LYS HA A 103 ASN H 1.0 1.7 5.5 2084 1724 A 21 GLU H A 19 THR HG2% 1.0 1.7 6.0 2085 1725 A 19 THR HB A 31 ASN HA 1.0 1.7 5.5 2086 1726 A 65 MET HA A 95 ILE HD1% 1.0 1.7 3.5 2087 1727 A 51 ALA HB% A 51 ALA H 1.0 1.7 3.5 2088 1728 A 24 GLY HAy A 25 LYS HG2 1.0 1.7 5.5 2089 1728 A 24 GLY HAy A 25 LYS HG3 1.0 1.7 5.5 2090 1729 A 91 ARG HA A 85 ILE HD1% 1.0 1.7 6.0 2091 1730 A 47 THR HG2% A 47 THR HA 1.0 1.7 3.5 2092 1731 A 99 LYS HA A 95 ILE HG2% 1.0 1.7 6.0 2093 1732 A 67 TYR HBy A 64 LEU HG 1.0 1.7 5.5 2094 1733 A 72 LYS HA A 78 THR HB 1.0 1.7 5.5 2095 1734 A 58 THR HG2% A 39 LYS HB2 1.0 1.7 6.0 2096 1734 A 58 THR HG2% A 39 LYS HB3 1.0 1.7 6.0 2097 1735 A 7 LYS HE2 A 7 LYS HG2 1.0 1.7 5.5 2098 1735 A 7 LYS HE3 A 7 LYS HG2 1.0 1.7 5.5 2099 1735 A 7 LYS HG3 A 7 LYS HE2 1.0 1.7 5.5 2100 1735 A 7 LYS HE3 A 7 LYS HG3 1.0 1.7 5.5 2101 1736 A 72 LYS HA A 72 LYS HG2 1.0 1.7 4.0 2102 1736 A 72 LYS HA A 72 LYS HG3 1.0 1.7 4.0 2103 1737 A 51 ALA HB% A 78 THR HB 1.0 1.7 6.0 2104 1738 A 29 GLY H A 28 THR HG2% 1.0 1.7 6.0 2105 1739 A 36 PHE HD1 A 95 ILE HG2% 1.0 1.7 4.5 2106 1740 A 78 THR HA A 78 THR HB 1.0 1.7 4.0 2107 1741 A 95 ILE H A 95 ILE HA 1.0 1.7 4.0 2108 1742 A 45 GLY HAx A 45 GLY HAy 1.0 1.7 3.0 2109 1743 A 65 MET H A 65 MET HA 1.0 1.7 4.0 2110 1744 A 15 ALA HB% A 10 PHE HD1 1.0 1.7 6.0 2111 1745 A 9 ILE HA A 9 ILE HG12 1.0 1.7 4.0 2112 1746 A 84 GLY HAy A 84 GLY H 1.0 1.7 4.0 2113 1747 A 35 LEU HD2% A 36 PHE HD2 1.0 1.7 6.0 2114 1748 A 39 LYS H A 39 LYS HA 1.0 1.7 4.0 2115 1749 A 99 LYS HA A 36 PHE HD1 1.0 1.7 5.5 2116 1749 A 99 LYS HA A 36 PHE HD2 1.0 1.7 5.5 2117 1750 A 71 PRO HDy A 71 PRO HDx 1.0 1.7 4.0 2118 1751 A 32 LEU HB2 A 20 VAL HG1% 1.0 1.7 4.5 2119 1752 A 91 ARG H A 65 MET HE% 1.0 1.7 6.0 2120 1753 A 57 ILE HG2% A 56 GLY HA2 1.0 1.7 6.0 2121 1754 A 97 TYR HD2 A 7 LYS HG2 1.0 1.7 5.5 2122 1754 A 97 TYR HD2 A 7 LYS HG3 1.0 1.7 5.5 2123 1755 A 41 GLY HAy A 41 GLY H 1.0 1.7 4.0 2124 1756 A 6 GLY H A 4 GLU HA 1.0 1.7 4.0 2125 1757 A 38 ARG HD2 A 38 ARG HG2 1.0 1.7 4.0 2126 1757 A 38 ARG HD3 A 38 ARG HG2 1.0 1.7 4.0 2127 1757 A 38 ARG HG3 A 38 ARG HD2 1.0 1.7 4.0 2128 1757 A 38 ARG HD3 A 38 ARG HG3 1.0 1.7 4.0 2129 1758 A 57 ILE H A 57 ILE HG2% 1.0 1.7 4.5 2130 1759 A 89 THR H A 89 THR HG2% 1.0 1.7 3.5 2131 1760 A 36 PHE H A 35 LEU HD2% 1.0 1.7 6.0 2132 1761 A 67 TYR HBx A 64 LEU HD2% 1.0 1.7 6.0 2133 1762 A 49 THR HG2% A 78 THR H 1.0 1.7 6.0 2134 1763 A 54 ASN HBx A 51 ALA HA 1.0 1.7 4.0 2135 1764 A 78 THR HA A 78 THR HB 1.0 1.7 4.0 2136 1765 A 51 ALA HB% A 51 ALA HA 1.0 1.7 3.5 2137 1766 A 97 TYR HBy A 96 ALA HB% 1.0 1.7 5.5 2138 1767 A 72 LYS HA A 72 LYS HB2 1.0 1.7 4.0 2139 1767 A 72 LYS HA A 72 LYS HB3 1.0 1.7 4.0 2140 1768 A 63 THR HG2% A 60 LYS HE2 1.0 1.7 6.0 2141 1768 A 63 THR HG2% A 60 LYS HE3 1.0 1.7 6.0 2142 1769 A 35 LEU HD1% A 35 LEU HD2% 1.0 1.7 5.5 2143 1770 A 98 LEU HD1% A 68 LEU HD2% 1.0 1.7 6.0 2144 1771 A 28 THR HB A 17 CYS HA 1.0 1.7 4.0 2145 1772 A 98 LEU HG A 98 LEU HB2 1.0 1.7 4.0 2146 1772 A 98 LEU HB3 A 98 LEU HG 1.0 1.7 4.0 2147 1773 A 78 THR HB A 76 PRO HA 1.0 1.7 5.5 2148 1774 A 6 GLY H A 5 LYS HA 1.0 1.7 4.0 2149 1775 A 71 PRO HDy A 71 PRO HDx 1.0 1.7 3.0 2150 1776 A 29 GLY H A 17 CYS HA 1.0 1.7 5.5 2151 1777 A 69 GLU H A 68 LEU HB3 1.0 1.7 5.5 2152 1778 A 94 LEU HA A 94 LEU HBy 1.0 1.7 5.5 2153 1779 A 9 ILE HD1% A 93 ASP HB2 1.0 1.7 4.0 2154 1779 A 9 ILE HD1% A 93 ASP HB3 1.0 1.7 4.0 2155 1780 A 98 LEU HA A 20 VAL HG1% 1.0 1.7 6.0 2156 1781 A 65 MET HA A 68 LEU HA 1.0 1.7 5.5 2157 1782 A 96 ALA HB% A 3 VAL HA 1.0 1.7 6.0 2158 1783 A 47 THR H A 47 THR HB 1.0 1.7 3.0 2159 1784 A 65 MET HA A 65 MET HGy 1.0 1.7 3.0 2160 1785 A 38 ARG HA A 38 ARG HG2 1.0 1.7 3.0 2161 1785 A 38 ARG HA A 38 ARG HG3 1.0 1.7 3.0 2162 1786 A 59 TRP H A 58 THR HB 1.0 1.7 5.5 2163 1787 A 95 ILE HD1% A 64 LEU HB2 1.0 1.7 4.0 2164 1787 A 64 LEU HB3 A 95 ILE HD1% 1.0 1.7 4.0 2165 1788 A 75 ILE H A 78 THR HG2% 1.0 1.7 4.5 2166 1789 A 85 ILE H A 85 ILE HD1% 1.0 1.7 6.0 2167 1790 A 85 ILE HD1% A 68 LEU HD2% 1.0 1.7 6.0 2168 1791 A 48 TYR HBx A 48 TYR HDx 1.0 1.7 5.5 2169 1792 A 81 ILE HA A 81 ILE HB 1.0 1.7 5.5 2170 1793 A 78 THR HA A 49 THR HG2% 1.0 1.7 6.0 2171 1794 A 27 LYS H A 30 PRO HA 1.0 1.7 5.5 2172 1795 A 68 LEU HD1% A 95 ILE HA 1.0 1.7 6.0 2173 1796 A 101 ALA HA A 102 THR HG2% 1.0 1.7 6.0 2174 1797 A 24 GLY HAx A 21 GLU HG2 1.0 1.7 5.5 2175 1797 A 24 GLY HAx A 21 GLU HG3 1.0 1.7 5.5 2176 1798 A 22 LYS HA A 22 LYS HG2 1.0 1.7 4.0 2177 1798 A 22 LYS HA A 22 LYS HG3 1.0 1.7 4.0 2178 1799 A 94 LEU HD1% A 98 LEU HA 1.0 1.7 6.0 2179 1800 A 8 LYS HB3 A 8 LYS HE2 1.0 1.7 5.5 2180 1800 A 8 LYS HB2 A 8 LYS HE2 1.0 1.7 5.5 2181 1800 A 8 LYS HE3 A 8 LYS HB2 1.0 1.7 5.5 2182 1800 A 8 LYS HB3 A 8 LYS HE3 1.0 1.7 5.5 2183 1801 A 21 GLU HA A 33 HIS HD2 1.0 1.7 5.5 2184 1802 A 36 PHE H A 35 LEU HB2 1.0 1.7 5.5 2185 1802 A 36 PHE H A 35 LEU HB3 1.0 1.7 5.5 2186 1803 A 91 ARG HA A 68 LEU HD2% 1.0 1.7 6.0 2187 1804 A 95 ILE H A 95 ILE HD1% 1.0 1.7 4.5 2188 1805 A 19 THR HA A 20 VAL HG2% 1.0 1.7 6.0 2189 1806 A 74 TYR HBy A 74 TYR HD1 1.0 1.7 5.5 2190 1807 A 102 THR HA A 101 ALA HA 1.0 1.7 5.5 2191 1808 A 3 VAL H A 3 VAL HA 1.0 1.7 4.0 2192 1809 A 73 LYS HA A 73 LYS HE2 1.0 1.7 5.5 2193 1809 A 73 LYS HA A 73 LYS HE3 1.0 1.7 5.5 2194 1810 A 8 LYS HA A 11 VAL HG2% 1.0 1.7 3.5 2195 1811 A 89 THR HA A 92 GLU HA 1.0 1.7 5.5 2196 1812 A 9 ILE HD1% A 9 ILE HB 1.0 1.7 4.5 2197 1813 A 19 THR HB A 20 VAL H 1.0 1.7 3.0 2198 1814 A 68 LEU H A 68 LEU HD1% 1.0 1.7 6.0 2199 1815 A 85 ILE HD1% A 9 ILE HB 1.0 1.7 6.0 2200 1816 A 28 THR HB A 17 CYS HA 1.0 1.7 4.0 2201 1817 A 63 THR H A 60 LYS HG2 1.0 1.7 5.5 2202 1817 A 63 THR H A 60 LYS HG3 1.0 1.7 5.5 2203 1818 A 26 HIS H A 26 HIS HA 1.0 1.7 4.0 2204 1819 A 10 PHE H A 11 VAL HG1% 1.0 1.7 6.0 2205 1820 A 3 VAL HG1% A 3 VAL H 1.0 1.7 3.5 2206 1821 A 57 ILE HG2% A 57 ILE HA 1.0 1.7 4.5 2207 1822 A 51 ALA H A 51 ALA HA 1.0 1.7 3.0 2208 1823 A 43 ALA HB% A 44 PRO HG2 1.0 1.7 6.0 2209 1823 A 43 ALA HB% A 44 PRO HG3 1.0 1.7 6.0 2210 1824 A 95 ILE HG2% A 95 ILE HD1% 1.0 1.7 5.5 2211 1825 A 9 ILE HA A 12 GLN HB2 1.0 1.7 5.5 2212 1825 A 12 GLN HB3 A 9 ILE HA 1.0 1.7 5.5 2213 1826 A 7 LYS HA A 11 VAL HG1% 1.0 1.7 6.0 2214 1827 A 40 THR HG2% A 40 THR HB 1.0 1.7 4.5 2215 1828 A 19 THR HG2% A 21 GLU HG2 1.0 1.7 5.5 2216 1828 A 19 THR HG2% A 21 GLU HG3 1.0 1.7 5.5 2217 1829 A 60 LYS H A 60 LYS HA 1.0 1.7 4.0 2218 1830 A 74 TYR HBy A 74 TYR HBx 1.0 1.7 5.5 2219 1831 A 96 ALA HB% A 96 ALA HA 1.0 1.7 3.5 2220 1832 A 49 THR HB A 50 ASP H 1.0 1.7 3.0 2221 1833 A 95 ILE HG2% A 65 MET HGy 1.0 1.7 6.0 2222 1834 A 57 ILE HG2% A 57 ILE HA 1.0 1.7 3.5 2223 1835 A 71 PRO HA A 72 LYS H 1.0 1.7 5.5 2224 1836 A 95 ILE H A 94 LEU HD1% 1.0 1.7 5.5 2225 1837 A 11 VAL HA A 11 VAL HG2% 1.0 1.7 4.5 2226 1838 A 102 THR HG2% A 20 VAL HA 1.0 1.7 6.0 2227 1839 A 98 LEU HD1% A 98 LEU HB2 1.0 1.7 5.5 2228 1839 A 98 LEU HD1% A 98 LEU HB3 1.0 1.7 5.5 2229 1840 A 41 GLY HAy A 52 ASN HD21 1.0 1.7 5.5 2230 1841 A 21 GLU H A 20 VAL HG2% 1.0 1.7 4.5 2231 1842 A 31 ASN H A 31 ASN HBx 1.0 1.7 4.0 2232 1843 A 37 GLY HAx A 37 GLY HAy 1.0 1.7 3.0 2233 1844 A 35 LEU H A 32 LEU HB2 1.0 1.7 5.5 2234 1845 A 74 TYR H A 76 PRO HDx 1.0 1.7 4.0 2235 1846 A 68 LEU HA A 68 LEU HB3 1.0 1.7 5.5 2236 1847 A 90 GLU HA A 94 LEU H 1.0 1.7 4.0 2237 1848 A 11 VAL HB A 11 VAL H 1.0 1.7 4.0 2238 1849 A 71 PRO HBy A 71 PRO HBx 1.0 1.7 4.0 2239 1850 A 11 VAL HB A 11 VAL HG2% 1.0 1.7 3.5 2240 1851 A 101 ALA HA A 101 ALA HB% 1.0 1.7 3.5 2241 1852 A 78 THR H A 78 THR HG2% 1.0 1.7 4.5 2242 1853 A 35 LEU HG A 35 LEU HB2 1.0 1.7 4.0 2243 1853 A 35 LEU HG A 35 LEU HB3 1.0 1.7 4.0 2244 1854 A 98 LEU HD1% A 20 VAL HG1% 1.0 1.7 6.0 2245 1855 A 50 ASP H A 51 ALA HA 1.0 1.7 5.5 2246 1856 A 7 LYS HA A 7 LYS HD2 1.0 1.7 5.5 2247 1856 A 7 LYS HA A 7 LYS HD3 1.0 1.7 5.5 2248 1857 A 11 VAL H A 9 ILE HA 1.0 1.7 5.5 2249 1858 A 35 LEU HD1% A 32 LEU HA 1.0 1.7 6.0 2250 1859 A 102 THR HA A 33 HIS HD2 1.0 1.7 4.0 2251 1860 A 10 PHE H A 9 ILE HG2% 1.0 1.7 4.5 2252 1861 A 64 LEU HD2% A 32 LEU HD1% 1.0 1.7 6.0 2253 1862 A 9 ILE HG2% A 9 ILE HG12 1.0 1.7 6.0 2254 1863 A 94 LEU HD2% A 68 LEU HB3 1.0 1.7 5.5 2255 1863 A 94 LEU HD2% A 68 LEU HB2 1.0 1.7 5.5 2256 1864 A 90 GLU H A 89 THR HG2% 1.0 1.7 5.5 2257 1865 A 61 GLU HA A 61 GLU HB3 1.0 1.7 4.0 2258 1865 A 61 GLU HA A 61 GLU HB2 1.0 1.7 4.0 2259 1866 A 98 LEU H A 98 LEU HA 1.0 1.7 4.0 2260 1867 A 49 THR H A 49 THR HA 1.0 1.7 3.0 2261 1868 A 71 PRO HA A 70 ASN HA 1.0 1.7 5.5 2262 1869 A 25 LYS H A 25 LYS HA 1.0 1.7 3.0 2263 1870 A 64 LEU HD2% A 95 ILE HA 1.0 1.7 6.0 2264 1871 A 95 ILE HG2% A 64 LEU HD1% 1.0 1.7 6.0 2265 1872 A 75 ILE HG2% A 78 THR HG2% 1.0 1.7 6.0 2266 1873 A 22 LYS HA A 22 LYS HD2 1.0 1.7 4.0 2267 1873 A 22 LYS HA A 22 LYS HD3 1.0 1.7 4.0 2268 1874 A 103 ASN HD2y A 34 GLY HAx 1.0 1.7 4.0 2269 1875 A 13 LYS HA A 13 LYS HB2 1.0 1.7 3.0 2270 1875 A 13 LYS HA A 13 LYS HB3 1.0 1.7 3.0 2271 1876 A 53 LYS HA A 52 ASN HB2 1.0 1.7 5.5 2272 1876 A 53 LYS HA A 52 ASN HB3 1.0 1.7 5.5 2273 1877 A 25 LYS HA A 25 LYS HB2 1.0 1.7 4.0 2274 1877 A 25 LYS HA A 25 LYS HB3 1.0 1.7 4.0 2275 1878 A 101 ALA H A 100 LYS HB2 1.0 1.7 4.0 2276 1878 A 101 ALA H A 100 LYS HB3 1.0 1.7 4.0 2277 1879 A 97 TYR H A 97 TYR HA 1.0 1.7 3.0 2278 1880 A 47 THR H A 47 THR HG2% 1.0 1.7 6.0 2279 1881 A 21 GLU HA A 21 GLU HG2 1.0 1.7 4.0 2280 1881 A 21 GLU HA A 21 GLU HG3 1.0 1.7 4.0 2281 1882 A 73 LYS H A 72 LYS HB2 1.0 1.7 5.5 2282 1882 A 73 LYS H A 72 LYS HB3 1.0 1.7 5.5 2283 1883 A 12 GLN H A 11 VAL HA 1.0 1.7 4.0 2284 1884 A 95 ILE HG2% A 95 ILE HD1% 1.0 1.7 5.5 2285 1885 A 11 VAL H A 8 LYS HA 1.0 1.7 5.5 2286 1886 A 94 LEU HA A 95 ILE H 1.0 1.7 4.0 2287 1887 A 78 THR HG2% A 81 ILE HD1% 1.0 1.7 6.0 2288 1888 A 94 LEU HD1% A 94 LEU HBx 1.0 1.7 3.5 2289 1889 A 57 ILE HA A 57 ILE HD1% 1.0 1.7 5.5 2290 1890 A 16 GLN HGx A 16 GLN HE21 1.0 1.7 5.5 2291 1891 A 53 LYS HA A 53 LYS HG2 1.0 1.7 4.0 2292 1891 A 53 LYS HG3 A 53 LYS HA 1.0 1.7 4.0 2293 1892 A 81 ILE H A 81 ILE HD1% 1.0 1.7 4.5 2294 1893 A 31 ASN H A 43 ALA HB% 1.0 1.7 6.0 2295 1894 A 88 LYS HA A 88 LYS HB2 1.0 1.7 4.0 2296 1894 A 88 LYS HB3 A 88 LYS HA 1.0 1.7 4.0 2297 1895 A 83 ALA HB% A 13 LYS HE2 1.0 1.7 5.5 2298 1895 A 13 LYS HE3 A 83 ALA HB% 1.0 1.7 5.5 2299 1896 A 102 THR HA A 103 ASN HA 1.0 1.7 5.5 2300 1897 A 58 THR H A 60 LYS HG2 1.0 1.7 5.5 2301 1897 A 58 THR H A 60 LYS HG3 1.0 1.7 5.5 2302 1898 A 42 GLN HA A 43 ALA HA 1.0 1.7 5.5 2303 1899 A 90 GLU HA A 9 ILE HD1% 1.0 1.7 3.5 2304 1900 A 41 GLY HAy A 41 GLY HAx 1.0 1.7 3.0 2305 1901 A 98 LEU HD2% A 98 LEU HB2 1.0 1.7 5.5 2306 1901 A 98 LEU HD2% A 98 LEU HB3 1.0 1.7 5.5 2307 1902 A 15 ALA HB% A 11 VAL H 1.0 1.7 6.0 2308 1903 A 57 ILE HD1% A 59 TRP HA 1.0 1.7 6.0 2309 1904 A 65 MET HA A 66 GLU H 1.0 1.7 4.0 2310 1905 A 28 THR HA A 28 THR H 1.0 1.7 5.5 2311 1906 A 17 CYS H A 16 GLN HBx 1.0 1.7 4.0 2312 1907 A 24 GLY H A 24 GLY HAy 1.0 1.7 3.0 2313 1908 A 51 ALA HB% A 51 ALA HA 1.0 1.7 3.5 2314 1909 A 103 ASN HBx A 103 ASN H 1.0 1.7 4.0 2315 1910 A 20 VAL HG1% A 32 LEU HD2% 1.0 1.7 6.0 2316 1911 A 95 ILE HD1% A 95 ILE HA 1.0 1.7 4.5 2317 1912 A 20 VAL HG1% A 10 PHE HD2 1.0 1.7 6.0 2318 1913 A 58 THR HA A 58 THR HB 1.0 1.7 4.0 2319 1914 A 71 PRO HDy A 71 PRO HBy 1.0 1.7 5.5 2320 1915 A 14 CYS HBx A 14 CYS HBy 1.0 1.7 4.0 2321 1916 A 61 GLU HA A 61 GLU HG2 1.0 1.7 4.0 2322 1916 A 61 GLU HG3 A 61 GLU HA 1.0 1.7 4.0 2323 1917 A 63 THR HB A 60 LYS HG2 1.0 1.7 5.5 2324 1917 A 60 LYS HG3 A 63 THR HB 1.0 1.7 5.5 2325 1918 A 100 LYS HB3 A 100 LYS HE2 1.0 1.7 5.5 2326 1918 A 100 LYS HB2 A 100 LYS HE2 1.0 1.7 5.5 2327 1918 A 100 LYS HE3 A 100 LYS HB2 1.0 1.7 5.5 2328 1918 A 100 LYS HB3 A 100 LYS HE3 1.0 1.7 5.5 2329 1919 A 21 GLU H A 21 GLU HA 1.0 1.7 4.0 2330 1920 A 40 THR H A 40 THR HG2% 1.0 1.7 3.5 2331 1921 A 11 VAL H A 11 VAL HA 1.0 1.7 4.0 2332 1922 A 42 GLN HA A 41 GLY HAx 1.0 1.7 5.5 2333 1923 A 61 GLU H A 60 LYS HA 1.0 1.7 4.0 2334 1924 A 19 THR H A 19 THR HG2% 1.0 1.7 4.5 2335 1925 A 98 LEU HD1% A 68 LEU HD2% 1.0 1.7 6.0 2336 1926 A 76 PRO HDx A 76 PRO HDy 1.0 1.7 3.0 2337 1927 A 47 THR HB A 47 THR HA 1.0 1.7 3.0 2338 1928 A 71 PRO HDy A 70 ASN HB2 1.0 1.7 5.5 2339 1929 A 35 LEU HD1% A 64 LEU HD1% 1.0 1.7 6.0 2340 1930 A 41 GLY H A 40 THR HB 1.0 1.7 4.0 2341 1931 A 99 LYS HA A 99 LYS HG2 1.0 1.7 4.0 2342 1931 A 99 LYS HA A 99 LYS HG3 1.0 1.7 4.0 2343 1932 A 50 ASP HA A 50 ASP HB2 1.0 1.7 3.0 2344 1932 A 50 ASP HB3 A 50 ASP HA 1.0 1.7 3.0 2345 1933 A 56 GLY H A 57 ILE HG2% 1.0 1.7 6.0 2346 1934 A 46 PHE HBx A 46 PHE HA 1.0 1.7 4.0 2347 1935 A 76 PRO HDx A 76 PRO HB2 1.0 1.7 4.0 2348 1935 A 76 PRO HDx A 76 PRO HB3 1.0 1.7 4.0 2349 1936 A 102 THR H A 98 LEU HA 1.0 1.7 4.0 2350 1937 A 2 ASP HBx A 93 ASP HA 1.0 1.7 5.5 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-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 6 GLY H A 2 ASP O 1.0 1.9 2.3 2 2 A 7 LYS H A 3 VAL O 1.0 1.9 2.3 3 3 A 8 LYS H A 4 GLU O 1.0 1.9 2.3 4 4 A 9 ILE H A 5 LYS O 1.0 1.9 2.3 5 5 A 10 PHE H A 6 GLY O 1.0 1.9 2.3 6 6 A 11 VAL H A 7 LYS O 1.0 1.9 2.3 7 7 A 12 GLN H A 8 LYS O 1.0 1.9 2.3 8 8 A 13 LYS H A 9 ILE O 1.0 1.9 2.3 9 9 A 14 CYS H A 10 PHE O 1.0 1.9 2.3 10 10 A 15 ALA H A 10 PHE O 1.0 1.9 2.3 11 11 A 102 THR H A 98 LEU O 1.0 1.9 2.3 12 12 A 101 ALA H A 97 TYR O 1.0 1.9 2.3 13 13 A 100 LYS H A 96 ALA O 1.0 1.9 2.3 14 14 A 99 LYS H A 95 ILE O 1.0 1.9 2.3 15 15 A 98 LEU H A 94 LEU O 1.0 1.9 2.3 16 16 A 97 TYR H A 93 ASP O 1.0 1.9 2.3 17 17 A 96 ALA H A 92 GLU O 1.0 1.9 2.3 18 18 A 95 ILE H A 91 ARG O 1.0 1.9 2.3 19 19 A 94 LEU H A 90 GLU O 1.0 1.9 2.3 20 20 A 93 ASP H A 89 THR O 1.0 1.9 2.3 21 21 A 92 GLU H A 88 LYS O 1.0 1.9 2.3 22 22 A 68 LEU H A 64 LEU O 1.0 1.9 2.3 23 23 A 67 TYR H A 63 THR O 1.0 1.9 2.3 24 24 A 66 GLU H A 62 GLU O 1.0 1.9 2.3 25 25 A 65 MET H A 61 GLU O 1.0 1.9 2.3 26 26 A 53 LYS H A 49 THR O 1.0 1.9 2.3 27 27 A 17 CYS H A 14 CYS O 1.0 1.8 2.6 28 28 A 18 HIS H A 15 ALA O 1.0 1.8 2.6 29 29 A 24 GLY H A 21 GLU O 1.0 1.8 2.6 30 30 A 35 LEU H A 32 LEU O 1.0 1.8 2.6 31 31 A 37 GLY H A 59 TRP O 1.0 1.8 2.6 32 32 A 40 THR H A 57 ILE O 1.0 1.8 2.6 33 33 A 53 LYS H A 49 THR O 1.0 1.8 2.6 34 34 A 54 ASN H A 50 ASP O 1.0 1.8 2.6 35 35 A 55 LYS H A 52 ASN O 1.0 1.8 2.6 36 36 A 59 TRP H A 38 ARG O 1.0 1.8 2.6 37 37 A 64 LEU H A 60 LYS O 1.0 1.8 2.6 38 38 A 69 GLU H A 65 MET O 1.0 1.8 2.6 39 39 A 74 TYR H A 70 ASN O 1.0 1.8 2.6 40 40 A 75 ILE H A 71 PRO O 1.0 1.8 2.6 41 41 A 78 THR H A 75 ILE O 1.0 1.8 2.6 42 42 A 85 ILE H A 68 LEU O 1.0 1.8 2.6 43 43 A 91 ARG H A 87 LYS O 1.0 1.8 2.6 44 44 A 94 LEU H A 90 GLU O 1.0 1.8 2.6 45 45 A 2 ASP H A 93 ASP OD1 1.0 1.8 2.6 46 46 A 30 PRO O A 18 HIS HD1 1.0 1.8 2.6 47 47 A 52 ASN H A 49 THR OG1 1.0 1.8 2.6 48 48 A 98 LEU O A 102 THR HG1 1.0 1.8 2.6 49 49 A 34 GLY H A 102 THR O 1.0 1.8 2.6 50 50 A 70 ASN H A 67 TYR O 1.0 1.8 2.6 51 51 A 91 ARG H A 88 LYS O 1.0 1.8 2.6 52 52 A 19 THR HG1 A 25 LYS O 1.0 1.8 2.6 53 53 A 57 ILE O A 40 THR HG1 1.0 1.8 2.6 54 54 A 56 GLY H A 40 THR OG1 1.0 1.8 2.6 55 55 A 60 LYS H A 63 THR OG1 1.0 1.8 2.6 56 56 A 86 LYS H A 90 GLU OE2 1.0 1.8 2.6 57 57 A 67 TYR HH A 80 MET SD 1.0 1.8 2.6 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 2 ASP C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -74.66 -44.66 PHI 2 2 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 GLU N 1.0 -51.02 -9.30 PSI 3 3 A 3 VAL C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -78.98 -48.98 PHI 4 4 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 LYS N 1.0 -58.10 -18.52 PSI 5 5 A 4 GLU C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -87.14 -57.14 PHI 6 6 A 5 LYS N A 5 LYS CA A 5 LYS C A 6 GLY N 1.0 -60.70 1.48 PSI 7 7 A 5 LYS C A 6 GLY N A 6 GLY CA A 6 GLY C 1.0 -104.33 -38.33 PHI 8 8 A 6 GLY N A 6 GLY CA A 6 GLY C A 7 LYS N 1.0 -67.71 12.43 PSI 9 9 A 6 GLY C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -78.07 -48.07 PHI 10 10 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 LYS N 1.0 -57.31 -27.31 PSI 11 11 A 7 LYS C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -78.81 -48.81 PHI 12 12 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 ILE N 1.0 -58.66 -5.44 PSI 13 13 A 8 LYS C A 9 ILE N A 9 ILE CA A 9 ILE C 1.0 -82.82 -52.82 PHI 14 14 A 9 ILE N A 9 ILE CA A 9 ILE C A 10 PHE N 1.0 -58.49 -21.77 PSI 15 15 A 9 ILE C A 10 PHE N A 10 PHE CA A 10 PHE C 1.0 -81.55 -51.55 PHI 16 16 A 10 PHE N A 10 PHE CA A 10 PHE C A 11 VAL N 1.0 -51.52 -21.52 PSI 17 17 A 10 PHE C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -75.57 -45.57 PHI 18 18 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 GLN N 1.0 -58.47 -28.47 PSI 19 19 A 11 VAL C A 12 GLN N A 12 GLN CA A 12 GLN C 1.0 -99.30 -37.66 PHI 20 20 A 12 GLN N A 12 GLN CA A 12 GLN C A 13 LYS N 1.0 -52.24 -19.94 PSI 21 21 A 12 GLN C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -100.25 -59.63 PHI 22 22 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 CYS N 1.0 -81.83 14.63 PSI 23 23 A 14 CYS C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -79.08 -49.08 PHI 24 24 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 GLN N 1.0 -57.33 -27.33 PSI 25 25 A 20 VAL C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -146.55 -41.71 PHI 26 26 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 LYS N 1.0 85.71 174.67 PSI 27 27 A 21 GLU C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -82.88 -33.10 PHI 28 28 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 GLY N 1.0 109.34 149.14 PSI 29 29 A 24 GLY C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -151.49 -36.89 PHI 30 30 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 HIS N 1.0 85.04 187.64 PSI 31 31 A 25 LYS C A 26 HIS N A 26 HIS CA A 26 HIS C 1.0 -130.61 -54.51 PHI 32 32 A 26 HIS N A 26 HIS CA A 26 HIS C A 27 LYS N 1.0 99.30 169.48 PSI 33 33 A 26 HIS C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -157.20 -73.62 PHI 34 34 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 THR N 1.0 62.61 168.43 PSI 35 35 A 27 LYS C A 28 THR N A 28 THR CA A 28 THR C 1.0 35.76 65.76 PHI 36 36 A 28 THR N A 28 THR CA A 28 THR C A 29 GLY N 1.0 27.71 59.51 PSI 37 37 A 32 LEU C A 33 HIS N A 33 HIS CA A 33 HIS C 1.0 -71.23 -41.23 PHI 38 38 A 33 HIS N A 33 HIS CA A 33 HIS C A 34 GLY N 1.0 115.38 145.38 PSI 39 39 A 34 GLY C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -132.66 -35.00 PHI 40 40 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 PHE N 1.0 -56.90 -2.82 PSI 41 41 A 37 GLY C A 38 ARG N A 38 ARG CA A 38 ARG C 1.0 -151.42 -75.66 PHI 42 42 A 38 ARG N A 38 ARG CA A 38 ARG C A 39 LYS N 1.0 119.83 158.35 PSI 43 43 A 40 THR C A 41 GLY N A 41 GLY CA A 41 GLY C 1.0 45.17 84.37 PHI 44 44 A 41 GLY N A 41 GLY CA A 41 GLY C A 42 GLN N 1.0 9.28 49.76 PSI 45 45 A 41 GLY C A 42 GLN N A 42 GLN CA A 42 GLN C 1.0 -141.66 -73.10 PHI 46 46 A 42 GLN N A 42 GLN CA A 42 GLN C A 43 ALA N 1.0 -18.82 44.02 PSI 47 47 A 45 GLY C A 46 PHE N A 46 PHE CA A 46 PHE C 1.0 -155.97 -71.01 PHI 48 48 A 46 PHE N A 46 PHE CA A 46 PHE C A 47 THR N 1.0 88.92 154.90 PSI 49 49 A 46 PHE C A 47 THR N A 47 THR CA A 47 THR C 1.0 -145.41 -71.47 PHI 50 50 A 47 THR N A 47 THR CA A 47 THR C A 48 TYR N 1.0 80.81 156.85 PSI 51 51 A 47 THR C A 48 TYR N A 48 TYR CA A 48 TYR C 1.0 -164.72 -57.24 PHI 52 52 A 48 TYR N A 48 TYR CA A 48 TYR C A 49 THR N 1.0 106.11 192.89 PSI 53 53 A 48 TYR C A 49 THR N A 49 THR CA A 49 THR C 1.0 -97.63 -67.63 PHI 54 54 A 49 THR N A 49 THR CA A 49 THR C A 50 ASP N 1.0 151.52 182.32 PSI 55 55 A 49 THR C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -74.94 -44.94 PHI 56 56 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 ALA N 1.0 -53.26 -23.26 PSI 57 57 A 50 ASP C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -77.13 -47.13 PHI 58 58 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 ASN N 1.0 -56.10 -26.10 PSI 59 59 A 51 ALA C A 52 ASN N A 52 ASN CA A 52 ASN C 1.0 -80.86 -50.86 PHI 60 60 A 52 ASN N A 52 ASN CA A 52 ASN C A 53 LYS N 1.0 -58.08 -10.70 PSI 61 61 A 53 LYS C A 54 ASN N A 54 ASN CA A 54 ASN C 1.0 -115.40 -65.54 PHI 62 62 A 54 ASN N A 54 ASN CA A 54 ASN C A 55 LYS N 1.0 -18.00 17.36 PSI 63 63 A 54 ASN C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 41.27 71.27 PHI 64 64 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 GLY N 1.0 13.89 64.07 PSI 65 65 A 56 GLY C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -167.24 -104.46 PHI 66 66 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 THR N 1.0 147.47 181.03 PSI 67 67 A 57 ILE C A 58 THR N A 58 THR CA A 58 THR C 1.0 -128.77 -82.53 PHI 68 68 A 58 THR N A 58 THR CA A 58 THR C A 59 TRP N 1.0 110.69 140.69 PSI 69 69 A 58 THR C A 59 TRP N A 59 TRP CA A 59 TRP C 1.0 -145.32 -62.88 PHI 70 70 A 59 TRP N A 59 TRP CA A 59 TRP C A 60 LYS N 1.0 106.75 165.33 PSI 71 71 A 59 TRP C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -173.70 -58.32 PHI 72 72 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 GLU N 1.0 81.06 199.22 PSI 73 73 A 60 LYS C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -76.35 -43.41 PHI 74 74 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 GLU N 1.0 -57.69 -27.69 PSI 75 75 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 THR N 1.0 -58.37 -16.57 PSI 76 76 A 62 GLU C A 63 THR N A 63 THR CA A 63 THR C 1.0 -101.80 -45.52 PHI 77 77 A 63 THR N A 63 THR CA A 63 THR C A 64 LEU N 1.0 -59.17 10.97 PSI 78 78 A 63 THR C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -83.51 -53.51 PHI 79 79 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 MET N 1.0 -54.19 -18.81 PSI 80 80 A 64 LEU C A 65 MET N A 65 MET CA A 65 MET C 1.0 -86.52 -49.54 PHI 81 81 A 65 MET N A 65 MET CA A 65 MET C A 66 GLU N 1.0 -56.37 -15.03 PSI 82 82 A 65 MET C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -87.74 -51.02 PHI 83 83 A 66 GLU N A 66 GLU CA A 66 GLU C A 67 TYR N 1.0 -53.77 -2.57 PSI 84 84 A 66 GLU C A 67 TYR N A 67 TYR CA A 67 TYR C 1.0 -77.02 -47.02 PHI 85 85 A 67 TYR N A 67 TYR CA A 67 TYR C A 68 LEU N 1.0 -54.54 -15.70 PSI 86 86 A 67 TYR C A 68 LEU N A 68 LEU CA A 68 LEU C 1.0 -108.11 -46.13 PHI 87 87 A 68 LEU N A 68 LEU CA A 68 LEU C A 69 GLU N 1.0 -39.86 22.18 PSI 88 88 A 70 ASN C A 71 PRO N A 71 PRO CA A 71 PRO C 1.0 -70.42 -40.42 PHI 89 89 A 71 PRO N A 71 PRO CA A 71 PRO C A 72 LYS N 1.0 -56.26 -8.72 PSI 90 90 A 71 PRO C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -85.12 -48.88 PHI 91 91 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 LYS N 1.0 -47.59 -3.33 PSI 92 92 A 72 LYS C A 73 LYS N A 73 LYS CA A 73 LYS C 1.0 -88.17 -47.33 PHI 93 93 A 73 LYS N A 73 LYS CA A 73 LYS C A 74 TYR N 1.0 -63.12 -2.48 PSI 94 94 A 73 LYS C A 74 TYR N A 74 TYR CA A 74 TYR C 1.0 -114.78 -49.82 PHI 95 95 A 74 TYR N A 74 TYR CA A 74 TYR C A 75 ILE N 1.0 -56.74 -24.92 PSI 96 96 A 74 TYR C A 75 ILE N A 75 ILE CA A 75 ILE C 1.0 -179.16 -66.86 PHI 97 97 A 75 ILE N A 75 ILE CA A 75 ILE C A 76 PRO N 1.0 61.88 194.44 PSI 98 98 A 75 ILE C A 76 PRO N A 76 PRO CA A 76 PRO C 1.0 -77.66 -39.30 PHI 99 99 A 76 PRO N A 76 PRO CA A 76 PRO C A 77 GLY N 1.0 124.31 159.29 PSI 100 100 A 76 PRO C A 77 GLY N A 77 GLY CA A 77 GLY C 1.0 65.14 117.52 PHI 101 101 A 77 GLY N A 77 GLY CA A 77 GLY C A 78 THR N 1.0 -34.25 8.53 PSI 102 102 A 77 GLY C A 78 THR N A 78 THR CA A 78 THR C 1.0 -131.26 -55.52 PHI 103 103 A 78 THR N A 78 THR CA A 78 THR C A 79 LYS N 1.0 112.72 187.28 PSI 104 104 A 78 THR C A 79 LYS N A 79 LYS CA A 79 LYS C 1.0 -151.11 -51.03 PHI 105 105 A 79 LYS N A 79 LYS CA A 79 LYS C A 80 MET N 1.0 91.67 168.33 PSI 106 106 A 79 LYS C A 80 MET N A 80 MET CA A 80 MET C 1.0 -183.24 -47.44 PHI 107 107 A 80 MET N A 80 MET CA A 80 MET C A 81 ILE N 1.0 96.14 140.10 PSI 108 108 A 80 MET C A 81 ILE N A 81 ILE CA A 81 ILE C 1.0 -173.06 -34.58 PHI 109 109 A 81 ILE N A 81 ILE CA A 81 ILE C A 82 PHE N 1.0 70.47 149.29 PSI 110 110 A 82 PHE C A 83 ALA N A 83 ALA CA A 83 ALA C 1.0 -179.05 -53.85 PHI 111 111 A 83 ALA N A 83 ALA CA A 83 ALA C A 84 GLY N 1.0 110.32 166.38 PSI 112 112 A 84 GLY C A 85 ILE N A 85 ILE CA A 85 ILE C 1.0 -183.00 -71.18 PHI 113 113 A 85 ILE N A 85 ILE CA A 85 ILE C A 86 LYS N 1.0 96.74 185.70 PSI 114 114 A 86 LYS C A 87 LYS N A 87 LYS CA A 87 LYS C 1.0 -138.06 -33.90 PHI 115 115 A 87 LYS N A 87 LYS CA A 87 LYS C A 88 LYS N 1.0 75.49 162.47 PSI 116 116 A 87 LYS C A 88 LYS N A 88 LYS CA A 88 LYS C 1.0 -70.94 -40.94 PHI 117 117 A 88 LYS N A 88 LYS CA A 88 LYS C A 89 THR N 1.0 -57.88 -21.28 PSI 118 118 A 88 LYS C A 89 THR N A 89 THR CA A 89 THR C 1.0 -80.30 -49.00 PHI 119 119 A 89 THR N A 89 THR CA A 89 THR C A 90 GLU N 1.0 -45.13 1.39 PSI 120 120 A 89 THR C A 90 GLU N A 90 GLU CA A 90 GLU C 1.0 -82.66 -44.38 PHI 121 121 A 90 GLU N A 90 GLU CA A 90 GLU C A 91 ARG N 1.0 -56.48 -20.86 PSI 122 122 A 90 GLU C A 91 ARG N A 91 ARG CA A 91 ARG C 1.0 -76.95 -42.31 PHI 123 123 A 91 ARG N A 91 ARG CA A 91 ARG C A 92 GLU N 1.0 -64.40 -34.40 PSI 124 124 A 91 ARG C A 92 GLU N A 92 GLU CA A 92 GLU C 1.0 -82.37 -52.37 PHI 125 125 A 92 GLU N A 92 GLU CA A 92 GLU C A 93 ASP N 1.0 -53.01 -23.01 PSI 126 126 A 92 GLU C A 93 ASP N A 93 ASP CA A 93 ASP C 1.0 -79.89 -49.89 PHI 127 127 A 93 ASP N A 93 ASP CA A 93 ASP C A 94 LEU N 1.0 -55.42 -25.42 PSI 128 128 A 93 ASP C A 94 LEU N A 94 LEU CA A 94 LEU C 1.0 -77.91 -47.91 PHI 129 129 A 94 LEU N A 94 LEU CA A 94 LEU C A 95 ILE N 1.0 -57.83 -27.83 PSI 130 130 A 94 LEU C A 95 ILE N A 95 ILE CA A 95 ILE C 1.0 -76.86 -46.86 PHI 131 131 A 95 ILE N A 95 ILE CA A 95 ILE C A 96 ALA N 1.0 -57.31 -27.31 PSI 132 132 A 95 ILE C A 96 ALA N A 96 ALA CA A 96 ALA C 1.0 -79.77 -49.77 PHI 133 133 A 96 ALA N A 96 ALA CA A 96 ALA C A 97 TYR N 1.0 -55.47 -25.47 PSI 134 134 A 96 ALA C A 97 TYR N A 97 TYR CA A 97 TYR C 1.0 -78.49 -48.49 PHI 135 135 A 97 TYR N A 97 TYR CA A 97 TYR C A 98 LEU N 1.0 -69.89 -2.99 PSI 136 136 A 97 TYR C A 98 LEU N A 98 LEU CA A 98 LEU C 1.0 -89.55 -45.69 PHI 137 137 A 98 LEU N A 98 LEU CA A 98 LEU C A 99 LYS N 1.0 -76.11 14.67 PSI 138 138 A 98 LEU C A 99 LYS N A 99 LYS CA A 99 LYS C 1.0 -80.25 -50.25 PHI 139 139 A 99 LYS N A 99 LYS CA A 99 LYS C A 100 LYS N 1.0 -55.69 -4.37 PSI 140 140 A 99 LYS C A 100 LYS N A 100 LYS CA A 100 LYS C 1.0 -88.87 -51.81 PHI 141 141 A 100 LYS N A 100 LYS CA A 100 LYS C A 101 ALA N 1.0 -67.53 35.27 PSI 142 142 A 100 LYS C A 101 ALA N A 101 ALA CA A 101 ALA C 1.0 -85.80 -48.24 PHI 143 143 A 101 ALA N A 101 ALA CA A 101 ALA C A 102 THR N 1.0 -50.04 -7.32 PSI 144 144 A 101 ALA C A 102 THR N A 102 THR CA A 102 THR C 1.0 -143.10 -79.30 PHI 145 145 A 102 THR N A 102 THR CA A 102 THR C A 103 ASN N 1.0 -23.18 32.60 PSI stop_ save_