data_nef_c36006_5ghb save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 25576 BMRB 25577 BMRB 36000 BMRB 36007 BMRB 36008 PDB 5GHB 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 55 SER C 1 56 ALY N 1 56 ALY C 1 57 LEU N 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 -13 MET start . . 2 A -12 GLY middle . false 3 A -11 SER middle . . 4 A -10 SER middle . . 5 A -9 HIS middle . . 6 A -8 HIS middle . . 7 A -7 HIS middle . . 8 A -6 HIS middle . . 9 A -5 HIS middle . . 10 A -4 HIS middle . . 11 A -3 SER middle . . 12 A -2 GLN middle . . 13 A -1 ASP middle . . 14 A 0 PRO middle . false 15 A 1 MET middle . . 16 A 2 ALA middle . . 17 A 3 ASP middle . . 18 A 4 GLU middle . . 19 A 5 LYS middle . . 20 A 6 PRO middle . false 21 A 7 LYS middle . . 22 A 8 GLU middle . . 23 A 9 GLY middle . false 24 A 10 VAL middle . . 25 A 11 LYS middle . . 26 A 12 THR middle . . 27 A 13 GLU middle . . 28 A 14 ASN middle . . 29 A 15 ASN middle . . 30 A 16 ASP middle . . 31 A 17 HIS middle . . 32 A 18 ILE middle . . 33 A 19 ASN middle . . 34 A 20 LEU middle . . 35 A 21 LYS middle . . 36 A 22 VAL middle . . 37 A 23 ALA middle . . 38 A 24 GLY middle . false 39 A 25 GLN middle . . 40 A 26 ASP middle . . 41 A 27 GLY middle . false 42 A 28 SER middle . . 43 A 29 VAL middle . . 44 A 30 VAL middle . . 45 A 31 GLN middle . . 46 A 32 PHE middle . . 47 A 33 LYS middle . . 48 A 34 ILE middle . . 49 A 35 LYS middle . . 50 A 36 ARG middle . . 51 A 37 HIS middle . . 52 A 38 THR middle . . 53 A 39 PRO middle . false 54 A 40 LEU middle . . 55 A 41 SER middle -OXT . 56 A 42 ALY middle -H2,-OXT . 57 A 43 LEU middle -H2 . 58 A 44 MET middle . . 59 A 45 LYS middle . . 60 A 46 ALA middle . . 61 A 47 TYR middle . . 62 A 48 CYS middle . . 63 A 49 GLU middle . . 64 A 50 ARG middle . . 65 A 51 GLN middle . . 66 A 52 GLY middle . false 67 A 53 LEU middle . . 68 A 54 SER middle . . 69 A 55 MET middle . . 70 A 56 ARG middle . . 71 A 57 GLN middle . . 72 A 58 ILE middle . . 73 A 59 ARG middle . . 74 A 60 PHE middle . . 75 A 61 ARG middle . . 76 A 62 PHE middle . . 77 A 63 ASP middle . . 78 A 64 GLY middle . false 79 A 65 GLN middle . . 80 A 66 PRO middle . false 81 A 67 ILE middle . . 82 A 68 ASN middle . . 83 A 69 GLU middle . . 84 A 70 THR middle . . 85 A 71 ASP middle . . 86 A 72 THR middle . . 87 A 73 PRO middle . false 88 A 74 ALA middle . . 89 A 75 GLN middle . . 90 A 76 LEU middle . . 91 A 77 GLU middle . . 92 A 78 MET middle . . 93 A 79 GLU middle . . 94 A 80 ASP middle . . 95 A 81 GLU middle . . 96 A 82 ASP middle . . 97 A 83 THR middle . . 98 A 84 ILE middle . . 99 A 85 ASP middle . . 100 A 86 VAL middle . . 101 A 87 PHE middle . . 102 A 88 GLN middle . . 103 A 89 GLN middle . . 104 A 90 GLN middle . . 105 A 91 THR middle . . 106 A 92 GLY middle . false 107 A 93 GLY end . false stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 MET H H 1 8.474 0.020 A 1 MET HA H 1 4.420 0.020 A 1 MET HBx H 1 1.979 0.020 A 1 MET HBy H 1 2.081 0.020 A 1 MET HE% H 1 2.065 0.020 A 1 MET HGx H 1 2.486 0.020 A 1 MET HGy H 1 2.615 0.020 A 1 MET C C 13 176.415 0.400 A 1 MET CA C 13 55.240 0.400 A 1 MET CB C 13 32.992 0.400 A 1 MET CE C 13 16.994 0.400 A 1 MET CG C 13 32.204 0.400 A 1 MET N N 15 118.811 0.400 A 2 ALA H H 1 8.017 0.020 A 2 ALA HA H 1 4.224 0.020 A 2 ALA HB% H 1 1.375 0.020 A 2 ALA C C 13 177.451 0.400 A 2 ALA CA C 13 52.860 0.400 A 2 ALA CB C 13 19.300 0.400 A 2 ALA N N 15 124.320 0.400 A 3 ASP H H 1 8.245 0.020 A 3 ASP HA H 1 4.542 0.020 A 3 ASP HBx H 1 2.551 0.020 A 3 ASP HBy H 1 2.674 0.020 A 3 ASP C C 13 176.037 0.400 A 3 ASP CA C 13 54.302 0.400 A 3 ASP CB C 13 41.156 0.400 A 3 ASP N N 15 119.190 0.400 A 4 GLU H H 1 8.207 0.020 A 4 GLU HA H 1 4.231 0.020 A 4 GLU HBx H 1 1.874 0.020 A 4 GLU HBy H 1 1.954 0.020 A 4 GLU HGx H 1 2.182 0.020 A 4 GLU HGy H 1 2.182 0.020 A 4 GLU C C 13 176.194 0.400 A 4 GLU CA C 13 56.263 0.400 A 4 GLU CB C 13 30.430 0.400 A 4 GLU CG C 13 36.233 0.400 A 4 GLU N N 15 121.060 0.400 A 5 LYS H H 1 8.328 0.020 A 5 LYS HA H 1 4.385 0.020 A 5 LYS HBx H 1 1.696 0.020 A 5 LYS HBy H 1 1.696 0.020 A 5 LYS HDx H 1 1.706 0.020 A 5 LYS HDy H 1 1.706 0.020 A 5 LYS HEx H 1 3.001 0.020 A 5 LYS HEy H 1 3.001 0.020 A 5 LYS HGx H 1 1.438 0.020 A 5 LYS HGy H 1 1.438 0.020 A 5 LYS CA C 13 54.128 0.400 A 5 LYS CB C 13 32.221 0.400 A 5 LYS CD C 13 29.096 0.400 A 5 LYS CE C 13 42.202 0.400 A 5 LYS CG C 13 24.815 0.400 A 5 LYS N N 15 123.969 0.400 A 6 PRO HA H 1 4.386 0.020 A 6 PRO HB2 H 1 1.828 0.020 A 6 PRO HB3 H 1 2.255 0.020 A 6 PRO HDx H 1 3.588 0.020 A 6 PRO HDy H 1 3.802 0.020 A 6 PRO HGx H 1 1.993 0.020 A 6 PRO HGy H 1 1.993 0.020 A 6 PRO C C 13 176.951 0.400 A 6 PRO CA C 13 63.655 0.400 A 6 PRO CB C 13 32.022 0.400 A 6 PRO CD C 13 50.696 0.400 A 6 PRO CG C 13 27.382 0.400 A 7 LYS H H 1 8.537 0.020 A 7 LYS HA H 1 4.222 0.020 A 7 LYS HBx H 1 1.720 0.020 A 7 LYS HBy H 1 1.795 0.020 A 7 LYS HDx H 1 1.645 0.020 A 7 LYS HDy H 1 1.645 0.020 A 7 LYS HEx H 1 2.947 0.020 A 7 LYS HEy H 1 2.947 0.020 A 7 LYS HGx H 1 1.454 0.020 A 7 LYS HGy H 1 1.454 0.020 A 7 LYS C C 13 176.743 0.400 A 7 LYS CA C 13 56.395 0.400 A 7 LYS CB C 13 32.923 0.400 A 7 LYS CD C 13 28.995 0.400 A 7 LYS CE C 13 42.155 0.400 A 7 LYS CG C 13 24.778 0.400 A 7 LYS N N 15 122.487 0.400 A 8 GLU H H 1 8.496 0.020 A 8 GLU HA H 1 4.228 0.020 A 8 GLU HBx H 1 1.906 0.020 A 8 GLU HBy H 1 1.906 0.020 A 8 GLU HGx H 1 2.205 0.020 A 8 GLU HGy H 1 2.205 0.020 A 8 GLU C C 13 176.850 0.400 A 8 GLU CA C 13 56.473 0.400 A 8 GLU CB C 13 30.307 0.400 A 8 GLU CG C 13 36.233 0.400 A 8 GLU N N 15 122.117 0.400 A 9 GLY H H 1 8.481 0.020 A 9 GLY HAx H 1 3.938 0.020 A 9 GLY HAy H 1 3.938 0.020 A 9 GLY C C 13 173.905 0.400 A 9 GLY CA C 13 45.257 0.400 A 9 GLY N N 15 110.368 0.400 A 10 VAL H H 1 7.994 0.020 A 10 VAL HA H 1 4.073 0.020 A 10 VAL HB H 1 2.022 0.020 A 10 VAL HGx% H 1 0.892 0.020 A 10 VAL HGy% H 1 0.892 0.020 A 10 VAL C C 13 176.228 0.400 A 10 VAL CA C 13 62.303 0.400 A 10 VAL CB C 13 32.727 0.400 A 10 VAL CG1 C 13 21.148 0.400 A 10 VAL CG2 C 13 20.620 0.400 A 10 VAL N N 15 119.658 0.400 A 11 LYS H H 1 8.547 0.020 A 11 LYS HA H 1 4.389 0.020 A 11 LYS HBy H 1 1.811 0.020 A 11 LYS HBx H 1 1.730 0.020 A 11 LYS HDx H 1 1.645 0.020 A 11 LYS HDy H 1 1.645 0.020 A 11 LYS HEx H 1 2.936 0.020 A 11 LYS HEy H 1 2.936 0.020 A 11 LYS HGx H 1 1.381 0.020 A 11 LYS HGy H 1 1.381 0.020 A 11 LYS C C 13 176.707 0.400 A 11 LYS CA C 13 56.141 0.400 A 11 LYS CB C 13 32.958 0.400 A 11 LYS CD C 13 28.912 0.400 A 11 LYS CE C 13 42.155 0.400 A 11 LYS CG C 13 24.766 0.400 A 11 LYS N N 15 125.993 0.400 A 12 THR H H 1 8.270 0.020 A 12 THR HA H 1 4.271 0.020 A 12 THR HB H 1 4.172 0.020 A 12 THR HG2% H 1 1.151 0.020 A 12 THR C C 13 174.495 0.400 A 12 THR CA C 13 61.932 0.400 A 12 THR CB C 13 69.757 0.400 A 12 THR CG2 C 13 21.642 0.400 A 12 THR N N 15 116.456 0.400 A 13 GLU H H 1 8.527 0.020 A 13 GLU HA H 1 4.260 0.020 A 13 GLU HBx H 1 1.893 0.020 A 13 GLU HBy H 1 1.893 0.020 A 13 GLU HGx H 1 2.231 0.020 A 13 GLU HGy H 1 2.231 0.020 A 13 GLU C C 13 175.984 0.400 A 13 GLU CA C 13 56.475 0.400 A 13 GLU CB C 13 30.476 0.400 A 13 GLU CG C 13 36.167 0.400 A 13 GLU N N 15 123.255 0.400 A 14 ASN H H 1 8.544 0.020 A 14 ASN HA H 1 4.916 0.020 A 14 ASN HBx H 1 2.614 0.020 A 14 ASN HBy H 1 2.872 0.020 A 14 ASN HD2y H 1 7.585 0.020 A 14 ASN HD2x H 1 6.981 0.020 A 14 ASN C C 13 174.762 0.400 A 14 ASN CA C 13 52.804 0.400 A 14 ASN CB C 13 38.755 0.400 A 14 ASN N N 15 120.049 0.400 A 14 ASN ND2 N 15 111.874 0.400 A 15 ASN H H 1 8.642 0.020 A 15 ASN HA H 1 4.641 0.020 A 15 ASN HBx H 1 2.801 0.020 A 15 ASN HBy H 1 2.801 0.020 A 15 ASN HD2y H 1 7.663 0.020 A 15 ASN HD2x H 1 6.940 0.020 A 15 ASN C C 13 174.866 0.400 A 15 ASN CA C 13 53.538 0.400 A 15 ASN CB C 13 38.994 0.400 A 15 ASN N N 15 120.464 0.400 A 15 ASN ND2 N 15 113.312 0.400 A 16 ASP H H 1 8.366 0.020 A 16 ASP HA H 1 4.560 0.020 A 16 ASP HBx H 1 2.640 0.020 A 16 ASP HBy H 1 2.640 0.020 A 16 ASP C C 13 175.853 0.400 A 16 ASP CA C 13 54.473 0.400 A 16 ASP CB C 13 40.958 0.400 A 16 ASP N N 15 119.811 0.400 A 17 HIS H H 1 8.173 0.020 A 17 HIS HA H 1 4.814 0.020 A 17 HIS HB2 H 1 2.896 0.020 A 17 HIS HB3 H 1 2.770 0.020 A 17 HIS HD2 H 1 6.569 0.020 A 17 HIS HE1 H 1 7.824 0.020 A 17 HIS C C 13 174.959 0.400 A 17 HIS CA C 13 57.197 0.400 A 17 HIS CB C 13 31.998 0.400 A 17 HIS CD2 C 13 121.503 0.400 A 17 HIS CE1 C 13 138.585 0.400 A 17 HIS N N 15 116.999 0.400 A 18 ILE H H 1 9.126 0.020 A 18 ILE HA H 1 4.602 0.020 A 18 ILE HB H 1 1.586 0.020 A 18 ILE HD1% H 1 0.459 0.020 A 18 ILE HG12 H 1 0.855 0.020 A 18 ILE HG13 H 1 1.304 0.020 A 18 ILE HG2% H 1 0.707 0.020 A 18 ILE C C 13 172.723 0.400 A 18 ILE CA C 13 59.748 0.400 A 18 ILE CB C 13 42.222 0.400 A 18 ILE CD1 C 13 14.503 0.400 A 18 ILE CG1 C 13 26.395 0.400 A 18 ILE CG2 C 13 16.813 0.400 A 18 ILE N N 15 117.863 0.400 A 19 ASN H H 1 8.995 0.020 A 19 ASN HA H 1 5.440 0.020 A 19 ASN HB2 H 1 2.680 0.020 A 19 ASN HB3 H 1 2.528 0.020 A 19 ASN HD21 H 1 6.794 0.020 A 19 ASN HD22 H 1 8.073 0.020 A 19 ASN C C 13 174.625 0.400 A 19 ASN CA C 13 52.278 0.400 A 19 ASN CB C 13 40.278 0.400 A 19 ASN N N 15 122.648 0.400 A 19 ASN ND2 N 15 114.909 0.400 A 20 LEU H H 1 9.035 0.020 A 20 LEU HA H 1 5.082 0.020 A 20 LEU HB2 H 1 1.399 0.020 A 20 LEU HB3 H 1 1.174 0.020 A 20 LEU HDx% H 1 0.618 0.020 A 20 LEU HDy% H 1 0.823 0.020 A 20 LEU HG H 1 1.388 0.020 A 20 LEU C C 13 175.761 0.400 A 20 LEU CA C 13 52.925 0.400 A 20 LEU CB C 13 46.767 0.400 A 20 LEU CD1 C 13 26.662 0.400 A 20 LEU CD2 C 13 24.339 0.400 A 20 LEU CG C 13 27.075 0.400 A 20 LEU N N 15 123.387 0.400 A 21 LYS H H 1 8.635 0.020 A 21 LYS HA H 1 4.884 0.020 A 21 LYS HB2 H 1 1.897 0.020 A 21 LYS HB3 H 1 1.511 0.020 A 21 LYS HDx H 1 1.552 0.020 A 21 LYS HDy H 1 1.552 0.020 A 21 LYS HE2 H 1 2.826 0.020 A 21 LYS HE3 H 1 2.870 0.020 A 21 LYS HG2 H 1 1.211 0.020 A 21 LYS HG3 H 1 1.241 0.020 A 21 LYS C C 13 175.198 0.400 A 21 LYS CA C 13 55.059 0.400 A 21 LYS CB C 13 34.531 0.400 A 21 LYS CD C 13 29.229 0.400 A 21 LYS CE C 13 42.031 0.400 A 21 LYS CG C 13 25.823 0.400 A 21 LYS N N 15 120.540 0.400 A 22 VAL H H 1 9.189 0.020 A 22 VAL HA H 1 4.897 0.020 A 22 VAL HB H 1 1.998 0.020 A 22 VAL HGx% H 1 0.049 0.020 A 22 VAL HGy% H 1 0.731 0.020 A 22 VAL C C 13 175.445 0.400 A 22 VAL CA C 13 61.230 0.400 A 22 VAL CB C 13 32.552 0.400 A 22 VAL CG1 C 13 22.514 0.400 A 22 VAL CG2 C 13 21.768 0.400 A 22 VAL N N 15 121.584 0.400 A 23 ALA H H 1 9.296 0.020 A 23 ALA HA H 1 5.255 0.020 A 23 ALA HB% H 1 1.383 0.020 A 23 ALA C C 13 176.943 0.400 A 23 ALA CA C 13 50.797 0.400 A 23 ALA CB C 13 21.092 0.400 A 23 ALA N N 15 133.039 0.400 A 24 GLY H H 1 8.625 0.020 A 24 GLY HA2 H 1 4.562 0.020 A 24 GLY HA3 H 1 3.759 0.020 A 24 GLY C C 13 175.915 0.400 A 24 GLY CA C 13 43.817 0.400 A 24 GLY N N 15 109.970 0.400 A 25 GLN H H 1 9.022 0.020 A 25 GLN HA H 1 4.156 0.020 A 25 GLN HB2 H 1 2.201 0.020 A 25 GLN HB3 H 1 2.034 0.020 A 25 GLN HE21 H 1 7.626 0.020 A 25 GLN HE22 H 1 7.023 0.020 A 25 GLN HGx H 1 2.429 0.020 A 25 GLN HGy H 1 2.429 0.020 A 25 GLN C C 13 175.932 0.400 A 25 GLN CA C 13 57.781 0.400 A 25 GLN CB C 13 28.739 0.400 A 25 GLN CG C 13 34.772 0.400 A 25 GLN N N 15 120.800 0.400 A 25 GLN NE2 N 15 114.285 0.400 A 26 ASP H H 1 8.293 0.020 A 26 ASP HA H 1 4.498 0.020 A 26 ASP HB2 H 1 3.037 0.020 A 26 ASP HB3 H 1 2.648 0.020 A 26 ASP C C 13 176.862 0.400 A 26 ASP CA C 13 53.118 0.400 A 26 ASP CB C 13 40.072 0.400 A 26 ASP N N 15 116.961 0.400 A 27 GLY H H 1 7.899 0.020 A 27 GLY HA2 H 1 4.279 0.020 A 27 GLY HA3 H 1 3.718 0.020 A 27 GLY C C 13 174.270 0.400 A 27 GLY CA C 13 45.255 0.400 A 27 GLY N N 15 108.386 0.400 A 28 SER H H 1 8.020 0.020 A 28 SER HA H 1 4.325 0.020 A 28 SER HBx H 1 3.852 0.020 A 28 SER HBy H 1 3.907 0.020 A 28 SER C C 13 174.488 0.400 A 28 SER CA C 13 58.470 0.400 A 28 SER CB C 13 63.786 0.400 A 28 SER N N 15 116.956 0.400 A 29 VAL H H 1 8.600 0.020 A 29 VAL HA H 1 4.954 0.020 A 29 VAL HB H 1 1.925 0.020 A 29 VAL HGx% H 1 0.820 0.020 A 29 VAL HGy% H 1 0.915 0.020 A 29 VAL C C 13 175.460 0.400 A 29 VAL CA C 13 61.983 0.400 A 29 VAL CB C 13 35.080 0.400 A 29 VAL CG1 C 13 21.863 0.400 A 29 VAL CG2 C 13 21.332 0.400 A 29 VAL N N 15 122.589 0.400 A 30 VAL H H 1 8.624 0.020 A 30 VAL HA H 1 4.346 0.020 A 30 VAL HB H 1 2.071 0.020 A 30 VAL HGx% H 1 0.761 0.020 A 30 VAL HGy% H 1 1.047 0.020 A 30 VAL C C 13 174.278 0.400 A 30 VAL CA C 13 60.939 0.400 A 30 VAL CB C 13 34.937 0.400 A 30 VAL CG1 C 13 22.706 0.400 A 30 VAL CG2 C 13 21.507 0.400 A 30 VAL N N 15 127.343 0.400 A 31 GLN H H 1 8.513 0.020 A 31 GLN HA H 1 5.187 0.020 A 31 GLN HB2 H 1 2.044 0.020 A 31 GLN HB3 H 1 1.818 0.020 A 31 GLN HE21 H 1 6.928 0.020 A 31 GLN HE22 H 1 7.427 0.020 A 31 GLN HG2 H 1 2.198 0.020 A 31 GLN HG3 H 1 2.101 0.020 A 31 GLN C C 13 174.809 0.400 A 31 GLN CA C 13 55.144 0.400 A 31 GLN CB C 13 31.136 0.400 A 31 GLN CG C 13 34.650 0.400 A 31 GLN N N 15 125.247 0.400 A 31 GLN NE2 N 15 111.891 0.400 A 32 PHE H H 1 9.097 0.020 A 32 PHE HA H 1 4.691 0.020 A 32 PHE HB2 H 1 2.517 0.020 A 32 PHE HB3 H 1 2.938 0.020 A 32 PHE HD1 H 1 7.064 0.020 A 32 PHE HD2 H 1 7.064 0.020 A 32 PHE HE1 H 1 7.188 0.020 A 32 PHE HE2 H 1 7.188 0.020 A 32 PHE HZ H 1 7.251 0.020 A 32 PHE C C 13 173.558 0.400 A 32 PHE CA C 13 57.443 0.400 A 32 PHE CB C 13 44.781 0.400 A 32 PHE CD1 C 13 132.140 0.400 A 32 PHE CD2 C 13 132.114 0.400 A 32 PHE CE1 C 13 132.153 0.400 A 32 PHE CE2 C 13 132.153 0.400 A 32 PHE CZ C 13 129.789 0.400 A 32 PHE N N 15 121.088 0.400 A 33 LYS H H 1 8.483 0.020 A 33 LYS HA H 1 5.324 0.020 A 33 LYS HBx H 1 1.557 0.020 A 33 LYS HBy H 1 1.622 0.020 A 33 LYS HDx H 1 1.393 0.020 A 33 LYS HDy H 1 1.393 0.020 A 33 LYS HEx H 1 2.630 0.020 A 33 LYS HEy H 1 2.630 0.020 A 33 LYS HG2 H 1 1.159 0.020 A 33 LYS HG3 H 1 1.281 0.020 A 33 LYS C C 13 176.085 0.400 A 33 LYS CA C 13 55.539 0.400 A 33 LYS CB C 13 33.892 0.400 A 33 LYS CD C 13 29.211 0.400 A 33 LYS CE C 13 41.582 0.400 A 33 LYS CG C 13 24.896 0.400 A 33 LYS N N 15 123.041 0.400 A 34 ILE H H 1 8.956 0.020 A 34 ILE HA H 1 4.841 0.020 A 34 ILE HB H 1 1.796 0.020 A 34 ILE HD1% H 1 0.661 0.020 A 34 ILE HG12 H 1 1.450 0.020 A 34 ILE HG13 H 1 1.305 0.020 A 34 ILE HG2% H 1 0.770 0.020 A 34 ILE C C 13 173.613 0.400 A 34 ILE CA C 13 59.376 0.400 A 34 ILE CB C 13 42.373 0.400 A 34 ILE CD1 C 13 14.436 0.400 A 34 ILE CG1 C 13 26.622 0.400 A 34 ILE CG2 C 13 16.475 0.400 A 34 ILE N N 15 122.444 0.400 A 35 LYS H H 1 8.308 0.020 A 35 LYS HA H 1 4.445 0.020 A 35 LYS HB2 H 1 1.725 0.020 A 35 LYS HB3 H 1 1.789 0.020 A 35 LYS HDx H 1 1.496 0.020 A 35 LYS HDy H 1 1.496 0.020 A 35 LYS HEx H 1 2.825 0.020 A 35 LYS HEy H 1 2.858 0.020 A 35 LYS HG2 H 1 1.179 0.020 A 35 LYS HG3 H 1 0.697 0.020 A 35 LYS C C 13 178.547 0.400 A 35 LYS CA C 13 56.904 0.400 A 35 LYS CB C 13 32.287 0.400 A 35 LYS CD C 13 29.324 0.400 A 35 LYS CE C 13 42.031 0.400 A 35 LYS CG C 13 25.989 0.400 A 35 LYS N N 15 123.703 0.400 A 36 ARG H H 1 8.129 0.020 A 36 ARG HA H 1 3.587 0.020 A 36 ARG HB2 H 1 1.257 0.020 A 36 ARG HB3 H 1 1.460 0.020 A 36 ARG HD2 H 1 3.143 0.020 A 36 ARG HD3 H 1 3.240 0.020 A 36 ARG HE H 1 7.308 0.020 A 36 ARG HG2 H 1 1.520 0.020 A 36 ARG HG3 H 1 1.452 0.020 A 36 ARG C C 13 175.775 0.400 A 36 ARG CA C 13 59.783 0.400 A 36 ARG CB C 13 29.821 0.400 A 36 ARG CD C 13 42.977 0.400 A 36 ARG CG C 13 30.082 0.400 A 36 ARG N N 15 117.958 0.400 A 36 ARG NE N 15 83.975 0.400 A 37 HIS H H 1 7.841 0.020 A 37 HIS HA H 1 4.772 0.020 A 37 HIS HBy H 1 3.373 0.020 A 37 HIS HBx H 1 2.888 0.020 A 37 HIS HD2 H 1 7.106 0.020 A 37 HIS HE1 H 1 7.819 0.020 A 37 HIS C C 13 174.653 0.400 A 37 HIS CA C 13 55.236 0.400 A 37 HIS CB C 13 29.548 0.400 A 37 HIS CD2 C 13 120.004 0.400 A 37 HIS CE1 C 13 137.906 0.400 A 37 HIS N N 15 111.513 0.400 A 38 THR H H 1 7.419 0.020 A 38 THR HA H 1 4.517 0.020 A 38 THR HB H 1 4.059 0.020 A 38 THR HG2% H 1 1.390 0.020 A 38 THR CA C 13 60.821 0.400 A 38 THR CB C 13 70.531 0.400 A 38 THR CG2 C 13 21.716 0.400 A 38 THR N N 15 121.521 0.400 A 39 PRO HA H 1 4.230 0.020 A 39 PRO HB2 H 1 2.275 0.020 A 39 PRO HB3 H 1 2.037 0.020 A 39 PRO HD2 H 1 3.957 0.020 A 39 PRO HD3 H 1 3.697 0.020 A 39 PRO HG2 H 1 1.912 0.020 A 39 PRO HG3 H 1 2.092 0.020 A 39 PRO C C 13 178.309 0.400 A 39 PRO CA C 13 62.740 0.400 A 39 PRO CB C 13 32.169 0.400 A 39 PRO CD C 13 51.076 0.400 A 39 PRO CG C 13 28.012 0.400 A 40 LEU H H 1 9.090 0.020 A 40 LEU HA H 1 3.759 0.020 A 40 LEU HB2 H 1 1.673 0.020 A 40 LEU HB3 H 1 1.021 0.020 A 40 LEU HDx% H 1 0.544 0.020 A 40 LEU HDy% H 1 0.587 0.020 A 40 LEU HG H 1 1.486 0.020 A 40 LEU C C 13 177.273 0.400 A 40 LEU CA C 13 57.418 0.400 A 40 LEU CB C 13 41.588 0.400 A 40 LEU CD1 C 13 26.563 0.400 A 40 LEU CD2 C 13 24.667 0.400 A 40 LEU CG C 13 29.171 0.400 A 40 LEU N N 15 122.451 0.400 A 41 SER H H 1 8.413 0.020 A 41 SER HA H 1 3.919 0.020 A 41 SER CA C 13 61.943 0.400 A 41 SER N N 15 116.008 0.400 A 42 ALY H H 1 7.658 0.020 A 42 ALY HB2 H 1 1.708 0.020 A 42 ALY HB3 H 1 1.843 0.020 A 42 ALY HCA H 1 3.926 0.020 A 42 ALY HDx H 1 1.515 0.020 A 42 ALY HDy H 1 1.515 0.020 A 42 ALY HEx H 1 3.186 0.020 A 42 ALY HEy H 1 3.186 0.020 A 42 ALY HG2 H 1 1.446 0.020 A 42 ALY HG3 H 1 1.340 0.020 A 42 ALY HH3% H 1 1.984 0.020 A 42 ALY HZ H 1 8.013 0.020 A 43 LEU H H 1 6.847 0.020 A 43 LEU HA H 1 3.535 0.020 A 43 LEU HB2 H 1 1.324 0.020 A 43 LEU HB3 H 1 1.410 0.020 A 43 LEU HDx% H 1 0.355 0.020 A 43 LEU HDy% H 1 0.150 0.020 A 43 LEU HG H 1 0.642 0.020 A 43 LEU C C 13 177.280 0.400 A 43 LEU CA C 13 57.897 0.400 A 43 LEU CB C 13 42.131 0.400 A 43 LEU CD1 C 13 27.476 0.400 A 43 LEU CD2 C 13 24.053 0.400 A 43 LEU CG C 13 26.396 0.400 A 43 LEU N N 15 121.681 0.400 A 44 MET H H 1 8.252 0.020 A 44 MET HA H 1 3.255 0.020 A 44 MET HBx H 1 1.660 0.020 A 44 MET HBy H 1 1.660 0.020 A 44 MET HE% H 1 1.466 0.020 A 44 MET HG2 H 1 0.221 0.020 A 44 MET HG3 H 1 1.839 0.020 A 44 MET C C 13 177.827 0.400 A 44 MET CA C 13 59.597 0.400 A 44 MET CB C 13 32.771 0.400 A 44 MET CE C 13 17.560 0.400 A 44 MET CG C 13 31.432 0.400 A 44 MET N N 15 119.125 0.400 A 45 LYS H H 1 8.265 0.020 A 45 LYS HA H 1 3.981 0.020 A 45 LYS HBx H 1 1.819 0.020 A 45 LYS HBy H 1 1.819 0.020 A 45 LYS HDx H 1 1.635 0.020 A 45 LYS HDy H 1 1.635 0.020 A 45 LYS HEx H 1 2.939 0.020 A 45 LYS HEy H 1 2.939 0.020 A 45 LYS HG2 H 1 1.382 0.020 A 45 LYS HG3 H 1 1.558 0.020 A 45 LYS C C 13 178.800 0.400 A 45 LYS CA C 13 59.893 0.400 A 45 LYS CB C 13 32.637 0.400 A 45 LYS CD C 13 29.341 0.400 A 45 LYS CE C 13 42.155 0.400 A 45 LYS CG C 13 25.724 0.400 A 45 LYS N N 15 118.685 0.400 A 46 ALA H H 1 7.517 0.020 A 46 ALA HA H 1 4.235 0.020 A 46 ALA HB% H 1 1.502 0.020 A 46 ALA C C 13 180.765 0.400 A 46 ALA CA C 13 55.038 0.400 A 46 ALA CB C 13 18.471 0.400 A 46 ALA N N 15 121.734 0.400 A 47 TYR H H 1 8.854 0.020 A 47 TYR HA H 1 4.075 0.020 A 47 TYR HB2 H 1 3.268 0.020 A 47 TYR HB3 H 1 3.019 0.020 A 47 TYR HD1 H 1 7.068 0.020 A 47 TYR HD2 H 1 7.068 0.020 A 47 TYR HE1 H 1 6.639 0.020 A 47 TYR HE2 H 1 6.639 0.020 A 47 TYR C C 13 176.899 0.400 A 47 TYR CA C 13 63.026 0.400 A 47 TYR CB C 13 38.321 0.400 A 47 TYR CD1 C 13 131.890 0.400 A 47 TYR CE1 C 13 118.725 0.400 A 47 TYR CE2 C 13 118.725 0.400 A 47 TYR N N 15 120.221 0.400 A 48 CYS H H 1 8.383 0.020 A 48 CYS HA H 1 3.760 0.020 A 48 CYS HBx H 1 3.082 0.020 A 48 CYS HBy H 1 3.173 0.020 A 48 CYS C C 13 177.235 0.400 A 48 CYS CA C 13 65.839 0.400 A 48 CYS CB C 13 26.144 0.400 A 48 CYS N N 15 117.142 0.400 A 49 GLU H H 1 8.290 0.020 A 49 GLU HA H 1 4.058 0.020 A 49 GLU HB2 H 1 2.134 0.020 A 49 GLU HB3 H 1 2.051 0.020 A 49 GLU HG2 H 1 2.238 0.020 A 49 GLU HG3 H 1 2.430 0.020 A 49 GLU C C 13 179.258 0.400 A 49 GLU CA C 13 59.171 0.400 A 49 GLU CB C 13 29.547 0.400 A 49 GLU CG C 13 36.427 0.400 A 49 GLU N N 15 118.743 0.400 A 50 ARG H H 1 8.023 0.020 A 50 ARG HA H 1 4.058 0.020 A 50 ARG HB2 H 1 1.909 0.020 A 50 ARG HB3 H 1 1.989 0.020 A 50 ARG HDx H 1 3.119 0.020 A 50 ARG HDy H 1 3.170 0.020 A 50 ARG HGx H 1 1.772 0.020 A 50 ARG HGy H 1 1.772 0.020 A 50 ARG C C 13 178.106 0.400 A 50 ARG CA C 13 58.761 0.400 A 50 ARG CB C 13 30.096 0.400 A 50 ARG CD C 13 43.553 0.400 A 50 ARG CG C 13 26.911 0.400 A 50 ARG N N 15 119.685 0.400 A 51 GLN H H 1 7.772 0.020 A 51 GLN HA H 1 4.251 0.020 A 51 GLN HB2 H 1 1.355 0.020 A 51 GLN HB3 H 1 1.986 0.020 A 51 GLN HE21 H 1 6.721 0.020 A 51 GLN HE22 H 1 6.785 0.020 A 51 GLN HGx H 1 1.632 0.020 A 51 GLN HGy H 1 1.632 0.020 A 51 GLN C C 13 176.187 0.400 A 51 GLN CA C 13 54.707 0.400 A 51 GLN CB C 13 30.489 0.400 A 51 GLN CG C 13 33.597 0.400 A 51 GLN N N 15 112.549 0.400 A 51 GLN NE2 N 15 109.398 0.400 A 52 GLY H H 1 7.720 0.020 A 52 GLY HAx H 1 3.901 0.020 A 52 GLY HAy H 1 3.901 0.020 A 52 GLY C C 13 174.549 0.400 A 52 GLY CA C 13 46.781 0.400 A 52 GLY N N 15 109.944 0.400 A 53 LEU H H 1 8.069 0.020 A 53 LEU HA H 1 4.676 0.020 A 53 LEU HB2 H 1 1.366 0.020 A 53 LEU HB3 H 1 1.465 0.020 A 53 LEU HDx% H 1 0.824 0.020 A 53 LEU HDy% H 1 0.778 0.020 A 53 LEU HG H 1 1.348 0.020 A 53 LEU C C 13 175.849 0.400 A 53 LEU CA C 13 53.119 0.400 A 53 LEU CB C 13 45.978 0.400 A 53 LEU CD1 C 13 26.314 0.400 A 53 LEU CD2 C 13 22.597 0.400 A 53 LEU CG C 13 26.363 0.400 A 53 LEU N N 15 119.085 0.400 A 54 SER H H 1 8.533 0.020 A 54 SER HA H 1 4.729 0.020 A 54 SER HB2 H 1 3.787 0.020 A 54 SER HB3 H 1 3.945 0.020 A 54 SER C C 13 175.812 0.400 A 54 SER CA C 13 56.303 0.400 A 54 SER CB C 13 64.431 0.400 A 54 SER N N 15 114.706 0.400 A 55 MET H H 1 9.001 0.020 A 55 MET HA H 1 4.308 0.020 A 55 MET HB2 H 1 2.132 0.020 A 55 MET HB3 H 1 2.737 0.020 A 55 MET HE% H 1 2.074 0.020 A 55 MET HGx H 1 2.709 0.020 A 55 MET HGy H 1 2.709 0.020 A 55 MET C C 13 177.494 0.400 A 55 MET CA C 13 57.852 0.400 A 55 MET CB C 13 32.631 0.400 A 55 MET CE C 13 16.994 0.400 A 55 MET CG C 13 32.925 0.400 A 55 MET N N 15 126.367 0.400 A 56 ARG H H 1 8.040 0.020 A 56 ARG HA H 1 4.272 0.020 A 56 ARG HBy H 1 1.887 0.020 A 56 ARG HBx H 1 1.781 0.020 A 56 ARG HDx H 1 3.199 0.020 A 56 ARG HDy H 1 3.199 0.020 A 56 ARG HE H 1 7.228 0.020 A 56 ARG HGx H 1 1.650 0.020 A 56 ARG HGy H 1 1.650 0.020 A 56 ARG C C 13 177.455 0.400 A 56 ARG CA C 13 57.484 0.400 A 56 ARG CB C 13 30.111 0.400 A 56 ARG CD C 13 43.059 0.400 A 56 ARG CG C 13 27.285 0.400 A 56 ARG N N 15 114.272 0.400 A 56 ARG NE N 15 84.995 0.400 A 57 GLN H H 1 7.833 0.020 A 57 GLN HA H 1 4.440 0.020 A 57 GLN HB2 H 1 2.342 0.020 A 57 GLN HB3 H 1 2.189 0.020 A 57 GLN HE21 H 1 7.592 0.020 A 57 GLN HE22 H 1 6.944 0.020 A 57 GLN HG2 H 1 2.396 0.020 A 57 GLN HG3 H 1 2.317 0.020 A 57 GLN C C 13 175.209 0.400 A 57 GLN CA C 13 55.887 0.400 A 57 GLN CB C 13 31.048 0.400 A 57 GLN CG C 13 34.753 0.400 A 57 GLN N N 15 115.694 0.400 A 57 GLN NE2 N 15 112.029 0.400 A 58 ILE H H 1 7.329 0.020 A 58 ILE HA H 1 4.977 0.020 A 58 ILE HB H 1 1.642 0.020 A 58 ILE HD1% H 1 0.695 0.020 A 58 ILE HG12 H 1 1.191 0.020 A 58 ILE HG13 H 1 1.143 0.020 A 58 ILE HG2% H 1 0.628 0.020 A 58 ILE C C 13 174.254 0.400 A 58 ILE CA C 13 58.984 0.400 A 58 ILE CB C 13 41.251 0.400 A 58 ILE CD1 C 13 14.627 0.400 A 58 ILE CG1 C 13 25.489 0.400 A 58 ILE CG2 C 13 19.139 0.400 A 58 ILE N N 15 115.201 0.400 A 59 ARG H H 1 8.483 0.020 A 59 ARG HA H 1 4.615 0.020 A 59 ARG HB2 H 1 1.721 0.020 A 59 ARG HB3 H 1 1.336 0.020 A 59 ARG HD2 H 1 3.142 0.020 A 59 ARG HD3 H 1 3.256 0.020 A 59 ARG HE H 1 7.378 0.020 A 59 ARG HG2 H 1 1.445 0.020 A 59 ARG HG3 H 1 1.497 0.020 A 59 ARG C C 13 173.701 0.400 A 59 ARG CA C 13 53.767 0.400 A 59 ARG CB C 13 33.293 0.400 A 59 ARG CD C 13 43.224 0.400 A 59 ARG CG C 13 26.797 0.400 A 59 ARG N N 15 121.124 0.400 A 59 ARG NE N 15 84.023 0.400 A 60 PHE H H 1 9.071 0.020 A 60 PHE HA H 1 5.321 0.020 A 60 PHE HB2 H 1 2.854 0.020 A 60 PHE HB3 H 1 2.592 0.020 A 60 PHE HD1 H 1 7.047 0.020 A 60 PHE HD2 H 1 7.047 0.020 A 60 PHE HE1 H 1 6.840 0.020 A 60 PHE HE2 H 1 6.840 0.020 A 60 PHE HZ H 1 7.224 0.020 A 60 PHE C C 13 176.036 0.400 A 60 PHE CA C 13 56.174 0.400 A 60 PHE CB C 13 41.686 0.400 A 60 PHE CD1 C 13 132.271 0.400 A 60 PHE CD2 C 13 132.271 0.400 A 60 PHE CE1 C 13 130.718 0.400 A 60 PHE CE2 C 13 130.718 0.400 A 60 PHE CZ C 13 130.887 0.400 A 60 PHE N N 15 120.142 0.400 A 61 ARG H H 1 9.561 0.020 A 61 ARG HA H 1 5.215 0.020 A 61 ARG HB2 H 1 1.539 0.020 A 61 ARG HB3 H 1 1.724 0.020 A 61 ARG HD2 H 1 2.679 0.020 A 61 ARG HD3 H 1 2.717 0.020 A 61 ARG HE H 1 7.166 0.020 A 61 ARG HG2 H 1 1.279 0.020 A 61 ARG HG3 H 1 1.405 0.020 A 61 ARG C C 13 173.704 0.400 A 61 ARG CA C 13 54.878 0.400 A 61 ARG CB C 13 35.974 0.400 A 61 ARG CD C 13 43.633 0.400 A 61 ARG CG C 13 27.779 0.400 A 61 ARG N N 15 121.928 0.400 A 61 ARG NE N 15 83.645 0.400 A 62 PHE H H 1 9.005 0.020 A 62 PHE HA H 1 5.322 0.020 A 62 PHE HB2 H 1 2.936 0.020 A 62 PHE HB3 H 1 2.832 0.020 A 62 PHE HD1 H 1 7.347 0.020 A 62 PHE HD2 H 1 7.347 0.020 A 62 PHE HE1 H 1 7.299 0.020 A 62 PHE HE2 H 1 7.299 0.020 A 62 PHE HZ H 1 7.320 0.020 A 62 PHE C C 13 175.236 0.400 A 62 PHE CA C 13 55.932 0.400 A 62 PHE CB C 13 41.890 0.400 A 62 PHE CD1 C 13 131.795 0.400 A 62 PHE CD2 C 13 131.795 0.400 A 62 PHE CE1 C 13 131.563 0.400 A 62 PHE CE2 C 13 131.541 0.400 A 62 PHE CZ C 13 130.943 0.400 A 62 PHE N N 15 120.285 0.400 A 63 ASP H H 1 9.509 0.020 A 63 ASP HA H 1 4.010 0.020 A 63 ASP HB2 H 1 2.613 0.020 A 63 ASP HB3 H 1 1.420 0.020 A 63 ASP C C 13 175.892 0.400 A 63 ASP CA C 13 54.508 0.400 A 63 ASP CB C 13 39.218 0.400 A 63 ASP N N 15 132.111 0.400 A 64 GLY H H 1 8.729 0.020 A 64 GLY HA2 H 1 3.466 0.020 A 64 GLY HA3 H 1 4.135 0.020 A 64 GLY C C 13 173.987 0.400 A 64 GLY CA C 13 45.258 0.400 A 64 GLY N N 15 102.573 0.400 A 65 GLN H H 1 7.884 0.020 A 65 GLN HA H 1 4.904 0.020 A 65 GLN HB2 H 1 2.045 0.020 A 65 GLN HB3 H 1 2.184 0.020 A 65 GLN HE21 H 1 7.554 0.020 A 65 GLN HE22 H 1 6.923 0.020 A 65 GLN HGy H 1 2.400 0.020 A 65 GLN HGx H 1 2.331 0.020 A 65 GLN CA C 13 52.237 0.400 A 65 GLN CB C 13 30.021 0.400 A 65 GLN CG C 13 32.989 0.400 A 65 GLN N N 15 120.804 0.400 A 65 GLN NE2 N 15 112.582 0.400 A 66 PRO HA H 1 4.693 0.020 A 66 PRO HB2 H 1 2.340 0.020 A 66 PRO HB3 H 1 1.949 0.020 A 66 PRO HD2 H 1 3.835 0.020 A 66 PRO HD3 H 1 3.743 0.020 A 66 PRO HG2 H 1 1.916 0.020 A 66 PRO HG3 H 1 2.177 0.020 A 66 PRO C C 13 176.332 0.400 A 66 PRO CA C 13 63.334 0.400 A 66 PRO CB C 13 32.388 0.400 A 66 PRO CD C 13 50.873 0.400 A 66 PRO CG C 13 27.721 0.400 A 67 ILE H H 1 7.918 0.020 A 67 ILE HA H 1 4.381 0.020 A 67 ILE HB H 1 1.641 0.020 A 67 ILE HD1% H 1 0.634 0.020 A 67 ILE HG12 H 1 0.841 0.020 A 67 ILE HG13 H 1 1.367 0.020 A 67 ILE HG2% H 1 0.845 0.020 A 67 ILE C C 13 175.006 0.400 A 67 ILE CA C 13 60.370 0.400 A 67 ILE CB C 13 40.242 0.400 A 67 ILE CD1 C 13 15.069 0.400 A 67 ILE CG1 C 13 26.817 0.400 A 67 ILE CG2 C 13 19.478 0.400 A 67 ILE N N 15 119.846 0.400 A 68 ASN H H 1 9.209 0.020 A 68 ASN HA H 1 4.971 0.020 A 68 ASN HB2 H 1 2.609 0.020 A 68 ASN HB3 H 1 2.752 0.020 A 68 ASN HD21 H 1 6.980 0.020 A 68 ASN HD22 H 1 8.003 0.020 A 68 ASN C C 13 175.971 0.400 A 68 ASN CA C 13 52.026 0.400 A 68 ASN CB C 13 41.063 0.400 A 68 ASN N N 15 124.298 0.400 A 68 ASN ND2 N 15 116.621 0.400 A 69 GLU H H 1 9.077 0.020 A 69 GLU HA H 1 3.719 0.020 A 69 GLU HB2 H 1 1.972 0.020 A 69 GLU HB3 H 1 2.027 0.020 A 69 GLU HG2 H 1 2.238 0.020 A 69 GLU HG3 H 1 2.326 0.020 A 69 GLU C C 13 175.880 0.400 A 69 GLU CA C 13 59.860 0.400 A 69 GLU CB C 13 30.629 0.400 A 69 GLU CG C 13 37.608 0.400 A 69 GLU N N 15 120.142 0.400 A 70 THR H H 1 7.233 0.020 A 70 THR HA H 1 4.166 0.020 A 70 THR HB H 1 4.483 0.020 A 70 THR HG2% H 1 1.204 0.020 A 70 THR C C 13 175.671 0.400 A 70 THR CA C 13 61.492 0.400 A 70 THR CB C 13 69.335 0.400 A 70 THR CG2 C 13 21.942 0.400 A 70 THR N N 15 101.968 0.400 A 71 ASP H H 1 7.550 0.020 A 71 ASP HA H 1 4.723 0.020 A 71 ASP HB2 H 1 2.872 0.020 A 71 ASP HB3 H 1 2.418 0.020 A 71 ASP C C 13 175.021 0.400 A 71 ASP CA C 13 55.242 0.400 A 71 ASP CB C 13 42.001 0.400 A 71 ASP N N 15 123.276 0.400 A 72 THR H H 1 7.405 0.020 A 72 THR HA H 1 5.046 0.020 A 72 THR HB H 1 4.426 0.020 A 72 THR HG2% H 1 0.962 0.020 A 72 THR CA C 13 57.523 0.400 A 72 THR CB C 13 69.426 0.400 A 72 THR CG2 C 13 21.225 0.400 A 72 THR N N 15 108.641 0.400 A 73 PRO HA H 1 4.217 0.020 A 73 PRO HB2 H 1 2.079 0.020 A 73 PRO HB3 H 1 1.786 0.020 A 73 PRO HDx H 1 3.839 0.020 A 73 PRO HDy H 1 3.839 0.020 A 73 PRO HG2 H 1 1.585 0.020 A 73 PRO HG3 H 1 2.014 0.020 A 73 PRO C C 13 178.782 0.400 A 73 PRO CA C 13 65.604 0.400 A 73 PRO CB C 13 32.155 0.400 A 73 PRO CD C 13 51.202 0.400 A 73 PRO CG C 13 27.913 0.400 A 74 ALA H H 1 8.289 0.020 A 74 ALA HA H 1 4.033 0.020 A 74 ALA HB% H 1 0.992 0.020 A 74 ALA C C 13 181.488 0.400 A 74 ALA CA C 13 54.585 0.400 A 74 ALA CB C 13 18.406 0.400 A 74 ALA N N 15 116.924 0.400 A 75 GLN H H 1 7.973 0.020 A 75 GLN HA H 1 3.996 0.020 A 75 GLN HB2 H 1 2.130 0.020 A 75 GLN HB3 H 1 2.291 0.020 A 75 GLN HE2x H 1 6.778 0.020 A 75 GLN HE2y H 1 7.480 0.020 A 75 GLN HGx H 1 2.446 0.020 A 75 GLN HGy H 1 2.446 0.020 A 75 GLN C C 13 177.984 0.400 A 75 GLN CA C 13 58.448 0.400 A 75 GLN CB C 13 28.742 0.400 A 75 GLN CG C 13 33.697 0.400 A 75 GLN N N 15 120.195 0.400 A 75 GLN NE2 N 15 110.463 0.400 A 76 LEU H H 1 7.411 0.020 A 76 LEU HA H 1 4.331 0.020 A 76 LEU HB2 H 1 1.568 0.020 A 76 LEU HB3 H 1 1.650 0.020 A 76 LEU HDx% H 1 0.782 0.020 A 76 LEU HDy% H 1 0.867 0.020 A 76 LEU HG H 1 1.676 0.020 A 76 LEU C C 13 174.682 0.400 A 76 LEU CA C 13 54.419 0.400 A 76 LEU CB C 13 42.176 0.400 A 76 LEU CD1 C 13 26.226 0.400 A 76 LEU CD2 C 13 22.175 0.400 A 76 LEU CG C 13 27.438 0.400 A 76 LEU N N 15 116.900 0.400 A 77 GLU H H 1 7.691 0.020 A 77 GLU HA H 1 3.799 0.020 A 77 GLU HB2 H 1 2.141 0.020 A 77 GLU HB3 H 1 2.281 0.020 A 77 GLU HGx H 1 2.144 0.020 A 77 GLU HGy H 1 2.144 0.020 A 77 GLU C C 13 176.049 0.400 A 77 GLU CA C 13 57.251 0.400 A 77 GLU CB C 13 26.501 0.400 A 77 GLU CG C 13 36.750 0.400 A 77 GLU N N 15 114.047 0.400 A 78 MET H H 1 7.791 0.020 A 78 MET HA H 1 4.210 0.020 A 78 MET HB2 H 1 1.751 0.020 A 78 MET HB3 H 1 1.266 0.020 A 78 MET HE% H 1 1.150 0.020 A 78 MET HG2 H 1 1.277 0.020 A 78 MET HG3 H 1 2.128 0.020 A 78 MET C C 13 175.190 0.400 A 78 MET CA C 13 56.863 0.400 A 78 MET CB C 13 34.814 0.400 A 78 MET CE C 13 18.417 0.400 A 78 MET CG C 13 33.548 0.400 A 78 MET N N 15 116.428 0.400 A 79 GLU H H 1 9.372 0.020 A 79 GLU HA H 1 4.498 0.020 A 79 GLU HBx H 1 1.756 0.020 A 79 GLU HBy H 1 2.064 0.020 A 79 GLU HGx H 1 2.195 0.020 A 79 GLU HGy H 1 2.302 0.020 A 79 GLU C C 13 174.576 0.400 A 79 GLU CA C 13 53.587 0.400 A 79 GLU CB C 13 33.202 0.400 A 79 GLU CG C 13 35.807 0.400 A 79 GLU N N 15 121.851 0.400 A 80 ASP H H 1 8.472 0.020 A 80 ASP HA H 1 4.526 0.020 A 80 ASP HBx H 1 2.634 0.020 A 80 ASP HBy H 1 2.634 0.020 A 80 ASP C C 13 177.444 0.400 A 80 ASP CA C 13 56.902 0.400 A 80 ASP CB C 13 41.911 0.400 A 80 ASP N N 15 118.142 0.400 A 81 GLU H H 1 9.511 0.020 A 81 GLU HA H 1 3.720 0.020 A 81 GLU HB2 H 1 2.429 0.020 A 81 GLU HB3 H 1 2.222 0.020 A 81 GLU HG2 H 1 2.274 0.020 A 81 GLU HG3 H 1 2.055 0.020 A 81 GLU C C 13 175.579 0.400 A 81 GLU CA C 13 58.257 0.400 A 81 GLU CB C 13 26.284 0.400 A 81 GLU CG C 13 36.104 0.400 A 81 GLU N N 15 116.251 0.400 A 82 ASP H H 1 8.030 0.020 A 82 ASP HA H 1 4.871 0.020 A 82 ASP HBy H 1 2.947 0.020 A 82 ASP HBx H 1 2.661 0.020 A 82 ASP C C 13 174.496 0.400 A 82 ASP CA C 13 55.920 0.400 A 82 ASP CB C 13 42.038 0.400 A 82 ASP N N 15 120.650 0.400 A 83 THR H H 1 8.440 0.020 A 83 THR HA H 1 5.184 0.020 A 83 THR HB H 1 3.935 0.020 A 83 THR HG2% H 1 1.063 0.020 A 83 THR C C 13 174.097 0.400 A 83 THR CA C 13 62.254 0.400 A 83 THR CB C 13 71.477 0.400 A 83 THR CG2 C 13 22.450 0.400 A 83 THR N N 15 113.721 0.400 A 84 ILE H H 1 9.468 0.020 A 84 ILE HA H 1 4.548 0.020 A 84 ILE HB H 1 1.745 0.020 A 84 ILE HD1% H 1 0.578 0.020 A 84 ILE HG12 H 1 0.788 0.020 A 84 ILE HG13 H 1 1.610 0.020 A 84 ILE HG2% H 1 0.928 0.020 A 84 ILE C C 13 173.653 0.400 A 84 ILE CA C 13 60.477 0.400 A 84 ILE CB C 13 41.000 0.400 A 84 ILE CD1 C 13 14.789 0.400 A 84 ILE CG1 C 13 28.181 0.400 A 84 ILE CG2 C 13 18.549 0.400 A 84 ILE N N 15 127.357 0.400 A 85 ASP H H 1 9.015 0.020 A 85 ASP HA H 1 5.309 0.020 A 85 ASP HBx H 1 2.498 0.020 A 85 ASP HBy H 1 2.498 0.020 A 85 ASP C C 13 174.849 0.400 A 85 ASP CA C 13 54.165 0.400 A 85 ASP CB C 13 44.907 0.400 A 85 ASP N N 15 126.422 0.400 A 86 VAL H H 1 7.809 0.020 A 86 VAL HA H 1 4.704 0.020 A 86 VAL HB H 1 1.469 0.020 A 86 VAL HGx% H 1 0.455 0.020 A 86 VAL HGy% H 1 0.287 0.020 A 86 VAL C C 13 174.851 0.400 A 86 VAL CA C 13 60.108 0.400 A 86 VAL CB C 13 34.221 0.400 A 86 VAL CG1 C 13 21.554 0.400 A 86 VAL CG2 C 13 21.969 0.400 A 86 VAL N N 15 118.778 0.400 A 87 PHE H H 1 8.674 0.020 A 87 PHE HA H 1 4.696 0.020 A 87 PHE HB2 H 1 2.959 0.020 A 87 PHE HB3 H 1 2.661 0.020 A 87 PHE HD1 H 1 6.995 0.020 A 87 PHE HD2 H 1 6.995 0.020 A 87 PHE HE1 H 1 7.112 0.020 A 87 PHE HE2 H 1 7.112 0.020 A 87 PHE HZ H 1 7.176 0.020 A 87 PHE C C 13 174.190 0.400 A 87 PHE CA C 13 56.195 0.400 A 87 PHE CB C 13 42.049 0.400 A 87 PHE CD1 C 13 131.731 0.400 A 87 PHE CD2 C 13 131.731 0.400 A 87 PHE CE1 C 13 131.344 0.400 A 87 PHE CE2 C 13 130.984 0.400 A 87 PHE CZ C 13 129.690 0.400 A 87 PHE N N 15 124.658 0.400 A 88 GLN H H 1 8.660 0.020 A 88 GLN HA H 1 4.624 0.020 A 88 GLN HB2 H 1 1.925 0.020 A 88 GLN HB3 H 1 2.078 0.020 A 88 GLN HE21 H 1 6.767 0.020 A 88 GLN HE22 H 1 7.472 0.020 A 88 GLN HGy H 1 2.315 0.020 A 88 GLN HGx H 1 2.279 0.020 A 88 GLN C C 13 175.337 0.400 A 88 GLN CA C 13 55.415 0.400 A 88 GLN CB C 13 29.947 0.400 A 88 GLN CG C 13 34.087 0.400 A 88 GLN N N 15 121.533 0.400 A 88 GLN NE2 N 15 111.238 0.400 A 89 GLN H H 1 8.345 0.020 A 89 GLN HA H 1 4.313 0.020 A 89 GLN HBx H 1 1.864 0.020 A 89 GLN HBy H 1 1.939 0.020 A 89 GLN HE2y H 1 7.387 0.020 A 89 GLN HE2x H 1 6.823 0.020 A 89 GLN HGx H 1 2.218 0.020 A 89 GLN HGy H 1 2.218 0.020 A 89 GLN C C 13 175.352 0.400 A 89 GLN CA C 13 55.713 0.400 A 89 GLN CB C 13 29.759 0.400 A 89 GLN CG C 13 33.565 0.400 A 89 GLN N N 15 123.149 0.400 A 89 GLN NE2 N 15 111.885 0.400 A 90 GLN H H 1 8.706 0.020 A 90 GLN HA H 1 4.255 0.020 A 90 GLN HBx H 1 1.991 0.020 A 90 GLN HBy H 1 1.991 0.020 A 90 GLN HE2y H 1 7.573 0.020 A 90 GLN HE2x H 1 6.871 0.020 A 90 GLN HGx H 1 2.364 0.020 A 90 GLN HGy H 1 2.364 0.020 A 90 GLN C C 13 176.156 0.400 A 90 GLN CA C 13 56.220 0.400 A 90 GLN CB C 13 29.587 0.400 A 90 GLN CG C 13 33.744 0.400 A 90 GLN N N 15 123.149 0.400 A 90 GLN NE2 N 15 112.772 0.400 A 91 THR H H 1 8.361 0.020 A 91 THR HA H 1 4.359 0.020 A 91 THR HB H 1 4.232 0.020 A 91 THR HG2% H 1 1.183 0.020 A 91 THR C C 13 174.980 0.400 A 91 THR CA C 13 62.034 0.400 A 91 THR CB C 13 69.858 0.400 A 91 THR CG2 C 13 21.499 0.400 A 91 THR N N 15 115.775 0.400 A 92 GLY H H 1 8.528 0.020 A 92 GLY HAx H 1 3.985 0.020 A 92 GLY HAy H 1 3.985 0.020 A 92 GLY C C 13 173.644 0.400 A 92 GLY CA C 13 45.293 0.400 A 92 GLY N N 15 111.910 0.400 A 93 GLY H H 1 8.034 0.020 A 93 GLY HAx H 1 3.734 0.020 A 93 GLY HAy H 1 3.734 0.020 A 93 GLY CA C 13 45.978 0.400 A 93 GLY N N 15 115.301 0.400 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 22 VAL HA A 22 VAL HGx% 1.0 1.8 3.48 2 2 A 32 PHE HE% A 43 LEU HDy% 1.0 1.8 3.83 3 3 A 43 LEU HDy% A 44 MET HBx 1.0 1.8 3.80 4 3 A 43 LEU HDy% A 44 MET HBy 1.0 1.8 3.80 5 4 A 43 LEU HDy% A 43 LEU HB3 1.0 1.8 3.25 6 5 A 43 LEU HDy% A 84 ILE HG2% 1.0 1.8 3.76 7 6 A 86 VAL H A 86 VAL HGy% 1.0 1.8 3.41 8 7 A 86 VAL HGy% A 47 TYR HE% 1.0 1.8 3.51 9 8 A 86 VAL HGy% A 60 PHE HA 1.0 1.8 3.60 10 9 A 22 VAL HA A 86 VAL HGy% 1.0 1.8 4.29 11 10 A 86 VAL HGy% A 86 VAL HA 1.0 1.8 3.44 12 11 A 86 VAL HGy% A 58 ILE HB 1.0 1.8 3.87 13 12 A 84 ILE HG2% A 86 VAL HGy% 1.0 1.8 3.80 14 13 A 86 VAL HGy% A 58 ILE HD1% 1.0 1.8 3.14 15 14 A 22 VAL HGx% A 86 VAL HGy% 1.0 1.8 2.87 16 15 A 20 LEU HG A 43 LEU HDx% 1.0 1.8 3.79 17 16 A 43 LEU HB3 A 43 LEU HDx% 1.0 1.8 3.48 18 17 A 86 VAL HGx% A 87 PHE H 1.0 1.8 3.45 19 18 A 60 PHE HA A 86 VAL HGx% 1.0 1.8 4.48 20 19 A 86 VAL HA A 86 VAL HGx% 1.0 1.8 3.46 21 20 A 86 VAL HGx% A 87 PHE HA 1.0 1.8 3.95 22 21 A 86 VAL HGx% A 24 GLY HA3 1.0 1.8 4.25 23 22 A 86 VAL HGx% A 58 ILE HG13 1.0 1.8 4.44 24 23 A 84 ILE HG2% A 86 VAL HGx% 1.0 1.8 5.15 25 24 A 86 VAL HGx% A 58 ILE HG2% 1.0 1.8 2.91 26 25 A 22 VAL HGx% A 86 VAL HGx% 1.0 1.8 3.45 27 26 A 18 ILE HD1% A 19 ASN H 1.0 1.8 4.11 28 27 A 18 ILE HD1% A 80 ASP HA 1.0 1.8 3.47 29 28 A 18 ILE HD1% A 80 ASP HBx 1.0 1.8 4.20 30 28 A 18 ILE HD1% A 80 ASP HBy 1.0 1.8 4.20 31 29 A 18 ILE HD1% A 73 PRO HB2 1.0 1.8 3.50 32 30 A 18 ILE HD1% A 18 ILE HB 1.0 1.8 3.17 33 31 A 40 LEU H A 40 LEU HDx% 1.0 1.8 3.96 34 32 A 71 ASP HB3 A 40 LEU HDx% 1.0 1.8 5.46 35 33 A 84 ILE H A 84 ILE HD1% 1.0 1.8 4.01 36 34 A 84 ILE HD1% A 84 ILE HA 1.0 1.8 3.96 37 35 A 43 LEU HDx% A 84 ILE HD1% 1.0 1.8 3.34 38 36 A 40 LEU HB2 A 40 LEU HDy% 1.0 1.8 3.36 39 37 A 40 LEU HB3 A 40 LEU HDy% 1.0 1.8 3.49 40 38 A 58 ILE HG2% A 88 GLN H 1.0 1.8 3.97 41 39 A 58 ILE HG2% A 59 ARG H 1.0 1.8 3.53 42 40 A 58 ILE HG2% A 88 GLN HA 1.0 1.8 3.33 43 41 A 58 ILE HG2% A 58 ILE HG12 1.0 1.8 3.20 44 42 A 62 PHE H A 67 ILE HD1% 1.0 1.8 3.77 45 43 A 84 ILE HD1% A 62 PHE HD% 1.0 1.8 4.25 46 44 A 67 ILE HD1% A 60 PHE HD% 1.0 1.8 4.51 47 45 A 60 PHE HA A 67 ILE HD1% 1.0 1.8 4.23 48 46 A 34 ILE HA A 34 ILE HD1% 1.0 1.8 3.79 49 47 A 34 ILE HD1% A 38 THR HB 1.0 1.8 3.86 50 48 A 67 ILE HD1% A 60 PHE HB3 1.0 1.8 3.55 51 49 A 34 ILE HD1% A 34 ILE HB 1.0 1.8 3.28 52 50 A 67 ILE HD1% A 67 ILE HB 1.0 1.8 3.32 53 51 A 34 ILE HD1% A 38 THR HG2% 1.0 1.8 2.70 54 52 A 67 ILE HD1% A 67 ILE HG2% 1.0 1.8 2.61 55 53 A 34 ILE HD1% A 35 LYS H 1.0 1.8 4.20 56 54 A 58 ILE HD1% A 47 TYR HD% 1.0 1.8 3.35 57 55 A 58 ILE HD1% A 58 ILE HA 1.0 1.8 4.33 58 56 A 58 ILE HB A 58 ILE HD1% 1.0 1.8 3.13 59 57 A 43 LEU HDx% A 34 ILE HD1% 1.0 1.8 3.21 60 58 A 19 ASN H A 18 ILE HG2% 1.0 1.8 3.76 61 59 A 43 LEU HDx% A 22 VAL HGy% 1.0 1.8 3.43 62 60 A 34 ILE HA A 34 ILE HG2% 1.0 1.8 3.25 63 61 A 34 ILE HG2% A 73 PRO HG3 1.0 1.8 3.97 64 62 A 34 ILE HG2% A 18 ILE HG13 1.0 1.8 3.05 65 63 A 31 GLN H A 30 VAL HGx% 1.0 1.8 3.90 66 64 A 53 LEU H A 53 LEU HDy% 1.0 1.8 4.23 67 65 A 76 LEU HA A 76 LEU HDx% 1.0 1.8 4.00 68 66 A 51 GLN HB3 A 53 LEU HDx% 1.0 1.8 3.99 69 67 A 76 LEU HDx% A 78 MET HE% 1.0 1.8 3.88 70 68 A 53 LEU HDx% A 53 LEU HA 1.0 1.8 4.09 71 69 A 76 LEU HDy% A 78 MET HG3 1.0 1.8 3.60 72 70 A 76 LEU HDy% A 76 LEU HB2 1.0 1.8 2.83 73 71 A 76 LEU HDy% A 40 LEU HDx% 1.0 1.8 5.19 74 72 A 20 LEU HB2 A 20 LEU HDy% 1.0 1.8 4.14 75 73 A 20 LEU HB3 A 20 LEU HDy% 1.0 1.8 3.21 76 74 A 67 ILE HG2% A 68 ASN H 1.0 1.8 3.87 77 75 A 67 ILE HG2% A 67 ILE H 1.0 1.8 3.88 78 76 A 67 ILE HG2% A 62 PHE HB3 1.0 1.8 3.42 79 77 A 76 LEU HDy% A 76 LEU H 1.0 1.8 3.28 80 78 A 76 LEU HDy% A 40 LEU HDy% 1.0 1.8 5.19 81 79 A 23 ALA HA A 29 VAL HGy% 1.0 1.8 3.36 82 80 A 29 VAL HGy% A 21 LYS HE2 1.0 1.8 4.22 83 81 A 29 VAL HGy% A 21 LYS HG2 1.0 1.8 3.34 84 82 A 84 ILE HG2% A 60 PHE HA 1.0 1.8 4.10 85 83 A 84 ILE HG2% A 60 PHE HB2 1.0 1.8 3.96 86 84 A 39 PRO HA A 72 THR HG2% 1.0 1.8 3.06 87 85 A 38 THR H A 74 ALA HB% 1.0 1.8 5.07 88 86 A 76 LEU H A 74 ALA HB% 1.0 1.8 5.38 89 87 A 29 VAL HB A 83 THR HG2% 1.0 1.8 3.91 90 88 A 83 THR HG2% A 21 LYS HDx 1.0 1.8 3.54 91 88 A 83 THR HG2% A 21 LYS HDy 1.0 1.8 3.54 92 89 A 68 ASN HB2 A 70 THR HG2% 1.0 1.8 3.93 93 90 A 62 PHE HD% A 78 MET HE% 1.0 1.8 3.17 94 91 A 78 MET HE% A 73 PRO HA 1.0 1.8 3.67 95 92 A 78 MET HE% A 62 PHE HB2 1.0 1.8 3.66 96 93 A 78 MET HE% A 76 LEU HG 1.0 1.8 3.18 97 94 A 34 ILE HA A 35 LYS HG2 1.0 1.8 4.19 98 95 A 70 THR HG2% A 70 THR H 1.0 1.8 3.09 99 96 A 70 THR HG2% A 68 ASN HB3 1.0 1.8 4.57 100 97 A 67 ILE H A 67 ILE HG13 1.0 1.8 4.11 101 98 A 20 LEU HB2 A 20 LEU HDx% 1.0 1.8 4.14 102 99 A 2 ALA HB% A 4 GLU H 1.0 1.8 4.12 103 100 A 45 LYS H A 45 LYS HG2 1.0 1.8 4.74 104 101 A 45 LYS HG2 A 45 LYS HA 1.0 1.8 3.93 105 102 A 23 ALA HB% A 24 GLY H 1.0 1.8 3.40 106 103 A 22 VAL HA A 23 ALA HB% 1.0 1.8 4.03 107 104 A 33 LYS HA A 33 LYS HDx 1.0 1.8 4.20 108 104 A 33 LYS HA A 33 LYS HDy 1.0 1.8 4.20 109 105 A 38 THR HG2% A 39 PRO HD3 1.0 1.8 3.40 110 106 A 7 LYS HDy A 7 LYS HGx 1.0 1.8 2.40 111 106 A 7 LYS HDx A 7 LYS HGx 1.0 1.8 2.40 112 106 A 7 LYS HGy A 7 LYS HDx 1.0 1.8 2.40 113 106 A 7 LYS HGy A 7 LYS HDy 1.0 1.8 2.40 114 107 A 34 ILE HA A 34 ILE HG12 1.0 1.8 3.99 115 108 A 59 ARG HA A 59 ARG HG2 1.0 1.8 4.06 116 109 A 44 MET HE% A 69 GLU H 1.0 1.8 3.39 117 110 A 44 MET HE% A 44 MET H 1.0 1.8 4.67 118 111 A 60 PHE HB2 A 44 MET HE% 1.0 1.8 3.32 119 112 A 44 MET HE% A 44 MET HG2 1.0 1.8 3.25 120 113 A 45 LYS H A 46 ALA HB% 1.0 1.8 4.40 121 114 A 46 ALA HB% A 43 LEU HA 1.0 1.8 3.51 122 115 A 46 ALA HB% A 45 LYS HBx 1.0 1.8 4.21 123 115 A 46 ALA HB% A 45 LYS HBy 1.0 1.8 4.21 124 116 A 45 LYS H A 45 LYS HG3 1.0 1.8 4.90 125 117 A 45 LYS HG3 A 49 GLU H 1.0 1.8 5.30 126 118 A 56 ARG HA A 56 ARG HGx 1.0 1.8 3.42 127 118 A 56 ARG HA A 56 ARG HGy 1.0 1.8 3.42 128 119 A 12 THR H A 11 LYS HDx 1.0 1.8 4.38 129 119 A 11 LYS HDy A 12 THR H 1.0 1.8 4.38 130 120 A 45 LYS HDy A 48 CYS HBy 1.0 1.8 4.50 131 120 A 45 LYS HDx A 48 CYS HBy 1.0 1.8 4.50 132 121 A 5 LYS HDy A 5 LYS HGx 1.0 1.8 2.58 133 121 A 5 LYS HDx A 5 LYS HGx 1.0 1.8 2.58 134 121 A 5 LYS HGy A 5 LYS HDx 1.0 1.8 2.58 135 121 A 5 LYS HGy A 5 LYS HDy 1.0 1.8 2.58 136 122 A 35 LYS HB2 A 38 THR HA 1.0 1.8 3.89 137 123 A 5 LYS HBy A 6 PRO HDx 1.0 1.8 4.54 138 123 A 6 PRO HDx A 5 LYS HBx 1.0 1.8 4.54 139 124 A 7 LYS HGy A 7 LYS HBx 1.0 1.8 2.72 140 124 A 7 LYS HBx A 7 LYS HGx 1.0 1.8 2.72 141 125 A 46 ALA HA A 50 ARG HGx 1.0 1.8 4.53 142 125 A 46 ALA HA A 50 ARG HGy 1.0 1.8 4.53 143 126 A 11 LYS H A 11 LYS HBy 1.0 1.8 3.36 144 127 A 7 LYS HGy A 7 LYS HBy 1.0 1.8 2.72 145 127 A 7 LYS HBy A 7 LYS HGx 1.0 1.8 2.72 146 128 A 34 ILE HB A 35 LYS H 1.0 1.8 4.18 147 129 A 4 GLU H A 4 GLU HBx 1.0 1.8 4.01 148 130 A 8 GLU HBx A 8 GLU HGx 1.0 1.8 2.57 149 130 A 8 GLU HBy A 8 GLU HGx 1.0 1.8 2.57 150 130 A 8 GLU HGy A 8 GLU HBx 1.0 1.8 2.57 151 130 A 8 GLU HBy A 8 GLU HGy 1.0 1.8 2.57 152 131 A 13 GLU HBx A 13 GLU HGx 1.0 1.8 2.77 153 131 A 13 GLU HBy A 13 GLU HGx 1.0 1.8 2.77 154 131 A 13 GLU HGy A 13 GLU HBx 1.0 1.8 2.77 155 131 A 13 GLU HBy A 13 GLU HGy 1.0 1.8 2.77 156 132 A 29 VAL HB A 29 VAL H 1.0 1.8 3.27 157 133 A 29 VAL HB A 28 SER HA 1.0 1.8 4.19 158 134 A 50 ARG H A 50 ARG HB3 1.0 1.8 3.93 159 135 A 51 GLN HB3 A 51 GLN HA 1.0 1.8 2.88 160 136 A 8 GLU H A 6 PRO HGx 1.0 1.8 4.34 161 136 A 6 PRO HGy A 8 GLU H 1.0 1.8 4.34 162 137 A 90 GLN HBy A 90 GLN HGx 1.0 1.8 2.77 163 137 A 90 GLN HBx A 90 GLN HGx 1.0 1.8 2.77 164 137 A 90 GLN HGy A 90 GLN HBx 1.0 1.8 2.77 165 137 A 90 GLN HBy A 90 GLN HGy 1.0 1.8 2.77 166 138 A 25 GLN HB3 A 25 GLN HGx 1.0 1.8 3.00 167 138 A 25 GLN HB3 A 25 GLN HGy 1.0 1.8 3.00 168 139 A 39 PRO HB3 A 70 THR HA 1.0 1.8 4.20 169 140 A 50 ARG H A 49 GLU HB3 1.0 1.8 3.86 170 141 A 81 GLU HA A 81 GLU HG3 1.0 1.8 3.80 171 142 A 81 GLU HG3 A 80 ASP HBx 1.0 1.8 3.81 172 142 A 80 ASP HBy A 81 GLU HG3 1.0 1.8 3.81 173 143 A 81 GLU HG3 A 81 GLU HB2 1.0 1.8 3.00 174 144 A 55 MET HE% A 45 LYS HEx 1.0 1.8 3.54 175 144 A 45 LYS HEy A 55 MET HE% 1.0 1.8 3.54 176 145 A 55 MET HE% A 55 MET HB3 1.0 1.8 2.98 177 146 A 55 MET HE% A 55 MET HGx 1.0 1.8 3.39 178 146 A 55 MET HE% A 55 MET HGy 1.0 1.8 3.39 179 147 A 31 GLN H A 31 GLN HG3 1.0 1.8 3.69 180 148 A 31 GLN HG3 A 21 LYS HDx 1.0 1.8 5.36 181 148 A 21 LYS HDy A 31 GLN HG3 1.0 1.8 5.36 182 149 A 65 GLN HB3 A 66 PRO HD3 1.0 1.8 4.51 183 150 A 8 GLU H A 8 GLU HGx 1.0 1.8 4.03 184 150 A 8 GLU HGy A 8 GLU H 1.0 1.8 4.03 185 151 A 79 GLU HA A 79 GLU HGx 1.0 1.8 3.82 186 152 A 2 ALA HB% A 4 GLU HGx 1.0 1.8 5.28 187 152 A 2 ALA HB% A 4 GLU HGy 1.0 1.8 5.28 188 153 A 45 LYS HG2 A 49 GLU HG2 1.0 1.8 5.65 189 154 A 9 GLY H A 8 GLU HGx 1.0 1.8 4.80 190 154 A 8 GLU HGy A 9 GLY H 1.0 1.8 4.80 191 155 A 4 GLU HA A 4 GLU HGx 1.0 1.8 3.65 192 155 A 4 GLU HGy A 4 GLU HA 1.0 1.8 3.65 193 156 A 59 ARG HG3 A 89 GLN HGx 1.0 1.8 4.23 194 156 A 59 ARG HG3 A 89 GLN HGy 1.0 1.8 4.23 195 157 A 59 ARG HG2 A 89 GLN HGx 1.0 1.8 4.29 196 157 A 59 ARG HG2 A 89 GLN HGy 1.0 1.8 4.29 197 158 A 49 GLU H A 49 GLU HG2 1.0 1.8 3.50 198 159 A 69 GLU HA A 69 GLU HG2 1.0 1.8 3.95 199 160 A 70 THR HA A 39 PRO HB2 1.0 1.8 4.29 200 161 A 57 GLN H A 57 GLN HG3 1.0 1.8 4.05 201 162 A 57 GLN HG3 A 57 GLN HA 1.0 1.8 4.04 202 163 A 87 PHE HA A 25 GLN HGx 1.0 1.8 4.20 203 163 A 87 PHE HA A 25 GLN HGy 1.0 1.8 4.20 204 164 A 25 GLN HB2 A 25 GLN HGx 1.0 1.8 2.53 205 164 A 25 GLN HGy A 25 GLN HB2 1.0 1.8 2.53 206 165 A 75 GLN HE2y A 75 GLN HGx 1.0 1.8 3.54 207 165 A 75 GLN HGy A 75 GLN HE2y 1.0 1.8 3.54 208 166 A 61 ARG HD3 A 85 ASP HBx 1.0 1.8 3.88 209 166 A 61 ARG HD3 A 85 ASP HBy 1.0 1.8 3.88 210 167 A 19 ASN HB3 A 20 LEU H 1.0 1.8 3.75 211 168 A 33 LYS HDx A 33 LYS HEx 1.0 1.8 2.89 212 168 A 33 LYS HEy A 33 LYS HDx 1.0 1.8 2.89 213 168 A 33 LYS HDy A 33 LYS HEy 1.0 1.8 2.89 214 168 A 33 LYS HDy A 33 LYS HEx 1.0 1.8 2.89 215 169 A 18 ILE HB A 80 ASP HBx 1.0 1.8 3.82 216 169 A 80 ASP HBy A 18 ILE HB 1.0 1.8 3.82 217 170 A 81 GLU HG2 A 80 ASP HBx 1.0 1.8 3.88 218 170 A 80 ASP HBy A 81 GLU HG2 1.0 1.8 3.88 219 171 A 61 ARG HD3 A 61 ARG HB3 1.0 1.8 3.81 220 172 A 68 ASN H A 68 ASN HB3 1.0 1.8 4.11 221 173 A 70 THR H A 68 ASN HB3 1.0 1.8 4.20 222 174 A 21 LYS HE2 A 21 LYS HB2 1.0 1.8 3.65 223 175 A 21 LYS HE2 A 21 LYS HB3 1.0 1.8 3.11 224 176 A 21 LYS HG2 A 21 LYS HE3 1.0 1.8 3.29 225 177 A 7 LYS HA A 7 LYS HEx 1.0 1.8 4.47 226 177 A 7 LYS HA A 7 LYS HEy 1.0 1.8 4.47 227 178 A 45 LYS HBx A 45 LYS HEx 1.0 1.8 3.61 228 178 A 45 LYS HBy A 45 LYS HEx 1.0 1.8 3.61 229 178 A 45 LYS HEy A 45 LYS HBx 1.0 1.8 3.61 230 178 A 45 LYS HBy A 45 LYS HEy 1.0 1.8 3.61 231 179 A 7 LYS HDx A 7 LYS HEx 1.0 1.8 2.71 232 179 A 7 LYS HDy A 7 LYS HEx 1.0 1.8 2.71 233 179 A 7 LYS HEy A 7 LYS HDx 1.0 1.8 2.71 234 179 A 7 LYS HDy A 7 LYS HEy 1.0 1.8 2.71 235 180 A 5 LYS HEy A 5 LYS HGx 1.0 1.8 3.18 236 180 A 5 LYS HEx A 5 LYS HGx 1.0 1.8 3.18 237 180 A 5 LYS HGy A 5 LYS HEx 1.0 1.8 3.18 238 180 A 5 LYS HGy A 5 LYS HEy 1.0 1.8 3.18 239 181 A 7 LYS HEy A 7 LYS HGx 1.0 1.8 3.45 240 181 A 7 LYS HEx A 7 LYS HGx 1.0 1.8 3.45 241 181 A 7 LYS HGy A 7 LYS HEx 1.0 1.8 3.45 242 181 A 7 LYS HGy A 7 LYS HEy 1.0 1.8 3.45 243 182 A 18 ILE HG13 A 36 ARG HD2 1.0 1.8 4.22 244 183 A 56 ARG HA A 56 ARG HDx 1.0 1.8 4.39 245 183 A 56 ARG HA A 56 ARG HDy 1.0 1.8 4.39 246 184 A 56 ARG HDx A 56 ARG HGx 1.0 1.8 2.60 247 184 A 56 ARG HDy A 56 ARG HGx 1.0 1.8 2.60 248 184 A 56 ARG HGy A 56 ARG HDx 1.0 1.8 2.60 249 184 A 56 ARG HGy A 56 ARG HDy 1.0 1.8 2.60 250 185 A 59 ARG HA A 59 ARG HD3 1.0 1.8 3.72 251 186 A 35 LYS HB3 A 36 ARG HA 1.0 1.8 5.49 252 187 A 36 ARG HA A 73 PRO HB3 1.0 1.8 5.84 253 188 A 36 ARG HA A 36 ARG HG2 1.0 1.8 3.77 254 189 A 80 ASP HA A 81 GLU HA 1.0 1.8 4.56 255 190 A 48 CYS HA A 51 GLN HB2 1.0 1.8 3.60 256 191 A 39 PRO HA A 40 LEU HA 1.0 1.8 4.80 257 192 A 77 GLU HA A 78 MET HA 1.0 1.8 5.27 258 193 A 69 GLU HA A 41 SER HA 1.0 1.8 3.99 259 194 A 41 SER HA A 44 MET HBx 1.0 1.8 4.10 260 194 A 44 MET HBy A 41 SER HA 1.0 1.8 4.10 261 195 A 63 ASP HA A 65 GLN H 1.0 1.8 4.24 262 196 A 63 ASP HA A 62 PHE HA 1.0 1.8 4.52 263 197 A 77 GLU HA A 74 ALA HA 1.0 1.8 4.26 264 198 A 49 GLU HA A 49 GLU HG3 1.0 1.8 3.73 265 199 A 50 ARG HA A 50 ARG HGx 1.0 1.8 3.18 266 199 A 50 ARG HGy A 50 ARG HA 1.0 1.8 3.18 267 200 A 10 VAL HA A 10 VAL HGx% 1.0 1.8 2.78 268 200 A 10 VAL HA A 10 VAL HGy% 1.0 1.8 2.78 269 201 A 70 THR HA A 69 GLU HG3 1.0 1.8 4.90 270 202 A 51 GLN HA A 51 GLN HE21 1.0 1.8 4.18 271 203 A 12 THR HA A 12 THR HG2% 1.0 1.8 3.28 272 204 A 76 LEU HA A 76 LEU HDy% 1.0 1.8 3.44 273 205 A 23 ALA HA A 29 VAL HA 1.0 1.8 3.81 274 206 A 22 VAL HA A 23 ALA HA 1.0 1.8 4.41 275 207 A 62 PHE HA A 64 GLY H 1.0 1.8 4.29 276 208 A 22 VAL HGx% A 23 ALA HA 1.0 1.8 4.63 277 209 A 86 VAL HGy% A 22 VAL HB 1.0 1.8 4.35 278 210 A 43 LEU HDx% A 20 LEU H 1.0 1.8 6.00 279 211 A 43 LEU HDx% A 60 PHE HE% 1.0 1.8 5.33 280 212 A 86 VAL HGx% A 61 ARG H 1.0 1.8 5.86 281 213 A 86 VAL HGx% A 25 GLN HGx 1.0 1.8 4.60 282 213 A 86 VAL HGx% A 25 GLN HGy 1.0 1.8 4.60 283 214 A 86 VAL HGx% A 25 GLN HB3 1.0 1.8 4.45 284 215 A 18 ILE HD1% A 79 GLU H 1.0 1.8 5.00 285 216 A 18 ILE HD1% A 36 ARG HA 1.0 1.8 4.44 286 217 A 18 ILE HD1% A 36 ARG HD2 1.0 1.8 4.76 287 218 A 43 LEU HDy% A 40 LEU HDx% 1.0 1.8 4.56 288 219 A 22 VAL HA A 84 ILE HD1% 1.0 1.8 4.71 289 220 A 84 ILE HD1% A 22 VAL HB 1.0 1.8 5.66 290 221 A 58 ILE HG2% A 55 MET HA 1.0 1.8 4.34 291 222 A 67 ILE HD1% A 68 ASN H 1.0 1.8 5.02 292 223 A 34 ILE HA A 35 LYS HG3 1.0 1.8 4.82 293 224 A 18 ILE HG2% A 19 ASN HD22 1.0 1.8 5.45 294 225 A 22 VAL HGy% A 83 THR HA 1.0 1.8 4.72 295 226 A 22 VAL HGy% A 21 LYS HB3 1.0 1.8 5.08 296 227 A 22 VAL HGy% A 20 LEU HB2 1.0 1.8 6.00 297 228 A 43 LEU HB3 A 22 VAL HGy% 1.0 1.8 6.00 298 229 A 38 THR HB A 34 ILE HG2% 1.0 1.8 5.00 299 230 A 43 LEU HDy% A 34 ILE HG2% 1.0 1.8 5.32 300 231 A 51 GLN H A 30 VAL HGx% 1.0 1.8 5.45 301 232 A 53 LEU HDy% A 52 GLY HAx 1.0 1.8 5.40 302 232 A 53 LEU HDy% A 52 GLY HAy 1.0 1.8 5.40 303 233 A 53 LEU HDx% A 60 PHE HE% 1.0 1.8 4.65 304 234 A 72 THR HG2% A 75 GLN HGx 1.0 1.8 5.85 305 234 A 72 THR HG2% A 75 GLN HGy 1.0 1.8 5.85 306 235 A 72 THR HG2% A 75 GLN H 1.0 1.8 4.81 307 236 A 74 ALA HB% A 72 THR HB 1.0 1.8 4.33 308 237 A 74 ALA HB% A 75 GLN HGx 1.0 1.8 5.53 309 237 A 74 ALA HB% A 75 GLN HGy 1.0 1.8 5.53 310 238 A 58 ILE HG13 A 88 GLN HA 1.0 1.8 5.75 311 239 A 84 ILE HA A 78 MET HE% 1.0 1.8 5.30 312 240 A 20 LEU HB3 A 32 PHE H 1.0 1.8 5.26 313 241 A 86 VAL HA A 61 ARG HG2 1.0 1.8 5.25 314 242 A 61 ARG HG2 A 66 PRO HA 1.0 1.8 5.75 315 243 A 60 PHE HD% A 59 ARG HB3 1.0 1.8 5.03 316 244 A 53 LEU HDx% A 51 GLN HB2 1.0 1.8 4.46 317 245 A 53 LEU HB2 A 51 GLN HGx 1.0 1.8 6.00 318 245 A 51 GLN HGy A 53 LEU HB2 1.0 1.8 6.00 319 246 A 23 ALA HB% A 25 GLN H 1.0 1.8 5.51 320 247 A 23 ALA HB% A 85 ASP HBx 1.0 1.8 4.70 321 247 A 23 ALA HB% A 85 ASP HBy 1.0 1.8 4.70 322 248 A 20 LEU HG A 20 LEU H 1.0 1.8 5.44 323 249 A 62 PHE H A 67 ILE HG13 1.0 1.8 5.95 324 250 A 60 PHE HD% A 67 ILE HG13 1.0 1.8 5.37 325 251 A 61 ARG H A 61 ARG HG3 1.0 1.8 4.74 326 252 A 5 LYS H A 5 LYS HGx 1.0 1.8 4.70 327 252 A 5 LYS HGy A 5 LYS H 1.0 1.8 4.70 328 253 A 5 LYS HGx A 6 PRO HDy 1.0 1.8 5.16 329 253 A 5 LYS HGy A 6 PRO HDy 1.0 1.8 5.16 330 254 A 59 ARG HG2 A 87 PHE HD% 1.0 1.8 5.25 331 255 A 59 ARG HG2 A 60 PHE H 1.0 1.8 4.75 332 256 A 44 MET HE% A 44 MET HA 1.0 1.8 4.76 333 257 A 58 ILE HG2% A 53 LEU HB3 1.0 1.8 4.97 334 258 A 47 TYR HD% A 86 VAL HB 1.0 1.8 5.51 335 259 A 60 PHE HD% A 86 VAL HB 1.0 1.8 5.97 336 260 A 24 GLY HA3 A 86 VAL HB 1.0 1.8 4.50 337 261 A 86 VAL HB A 25 GLN HGx 1.0 1.8 5.26 338 261 A 25 GLN HGy A 86 VAL HB 1.0 1.8 5.26 339 262 A 35 LYS H A 35 LYS HDx 1.0 1.8 4.58 340 262 A 35 LYS H A 35 LYS HDy 1.0 1.8 4.58 341 263 A 36 ARG HB3 A 74 ALA H 1.0 1.8 4.98 342 264 A 40 LEU HG A 72 THR HA 1.0 1.8 5.60 343 265 A 39 PRO HA A 40 LEU HG 1.0 1.8 6.00 344 266 A 73 PRO HA A 40 LEU HG 1.0 1.8 6.00 345 267 A 59 ARG H A 59 ARG HG2 1.0 1.8 4.31 346 268 A 46 ALA HB% A 44 MET HA 1.0 1.8 5.07 347 269 A 22 VAL HGy% A 46 ALA HB% 1.0 1.8 4.70 348 270 A 45 LYS HG3 A 55 MET HE% 1.0 1.8 4.64 349 271 A 31 GLN HA A 21 LYS HDx 1.0 1.8 4.76 350 271 A 21 LYS HDy A 31 GLN HA 1.0 1.8 4.76 351 272 A 83 THR HA A 21 LYS HDx 1.0 1.8 5.19 352 272 A 21 LYS HDy A 83 THR HA 1.0 1.8 5.19 353 273 A 22 VAL HA A 84 ILE HG13 1.0 1.8 5.52 354 274 A 58 ILE HB A 60 PHE HD% 1.0 1.8 4.81 355 275 A 11 LYS H A 11 LYS HDx 1.0 1.8 4.94 356 275 A 11 LYS HDy A 11 LYS H 1.0 1.8 4.94 357 276 A 57 GLN HA A 56 ARG HGx 1.0 1.8 4.66 358 276 A 56 ARG HGy A 57 GLN HA 1.0 1.8 4.66 359 277 A 53 LEU HDy% A 51 GLN HGx 1.0 1.8 4.53 360 277 A 53 LEU HDy% A 51 GLN HGy 1.0 1.8 4.53 361 278 A 45 LYS HA A 44 MET HBx 1.0 1.8 4.98 362 278 A 44 MET HBy A 45 LYS HA 1.0 1.8 4.98 363 279 A 10 VAL HGy% A 11 LYS HBx 1.0 1.8 4.73 364 279 A 10 VAL HGx% A 11 LYS HBx 1.0 1.8 4.73 365 280 A 61 ARG HB3 A 66 PRO HB3 1.0 1.8 4.57 366 281 A 83 THR HA A 84 ILE HB 1.0 1.8 4.83 367 282 A 62 PHE HB2 A 84 ILE HB 1.0 1.8 4.93 368 283 A 57 GLN H A 56 ARG HBx 1.0 1.8 4.66 369 284 A 32 PHE HD% A 50 ARG HGx 1.0 1.8 5.60 370 284 A 50 ARG HGy A 32 PHE HD% 1.0 1.8 5.60 371 285 A 47 TYR HD% A 50 ARG HGx 1.0 1.8 5.85 372 285 A 47 TYR HD% A 50 ARG HGy 1.0 1.8 5.85 373 286 A 34 ILE HB A 20 LEU HB2 1.0 1.8 4.64 374 287 A 34 ILE HB A 38 THR HG2% 1.0 1.8 5.17 375 288 A 11 LYS HBy A 10 VAL HGx% 1.0 1.8 4.73 376 288 A 10 VAL HGy% A 11 LYS HBy 1.0 1.8 4.73 377 289 A 43 LEU HB3 A 44 MET HG3 1.0 1.8 4.89 378 290 A 51 GLN HB2 A 50 ARG HB2 1.0 1.8 4.47 379 291 A 53 LEU HDx% A 50 ARG HB2 1.0 1.8 6.00 380 292 A 67 ILE H A 66 PRO HG2 1.0 1.8 4.99 381 293 A 66 PRO HG2 A 65 GLN HA 1.0 1.8 4.37 382 294 A 66 PRO HB3 A 65 GLN HA 1.0 1.8 5.02 383 295 A 22 VAL HB A 86 VAL HB 1.0 1.8 5.42 384 296 A 22 VAL HB A 32 PHE HZ 1.0 1.8 4.81 385 297 A 55 MET HE% A 45 LYS HBx 1.0 1.8 2.70 386 297 A 45 LYS HBy A 55 MET HE% 1.0 1.8 2.70 387 298 A 55 MET HE% A 44 MET HBx 1.0 1.8 2.72 388 298 A 44 MET HBy A 55 MET HE% 1.0 1.8 2.72 389 299 A 44 MET HG2 A 55 MET HE% 1.0 1.8 3.96 390 300 A 58 ILE HD1% A 55 MET HB2 1.0 1.8 5.01 391 301 A 55 MET HB2 A 56 ARG H 1.0 1.8 5.22 392 302 A 40 LEU H A 39 PRO HG3 1.0 1.8 5.66 393 303 A 74 ALA HA A 77 GLU HGx 1.0 1.8 4.70 394 303 A 74 ALA HA A 77 GLU HGy 1.0 1.8 4.70 395 304 A 78 MET HG3 A 62 PHE HZ 1.0 1.8 5.38 396 305 A 49 GLU HB2 A 50 ARG HGx 1.0 1.8 4.33 397 305 A 50 ARG HGy A 49 GLU HB2 1.0 1.8 4.33 398 306 A 65 GLN HA A 66 PRO HG3 1.0 1.8 4.47 399 307 A 79 GLU H A 79 GLU HGx 1.0 1.8 4.81 400 308 A 12 THR HG2% A 13 GLU HGx 1.0 1.8 4.67 401 308 A 13 GLU HGy A 12 THR HG2% 1.0 1.8 4.67 402 309 A 21 LYS HA A 31 GLN HG2 1.0 1.8 5.02 403 310 A 49 GLU HG2 A 48 CYS HBy 1.0 1.8 5.43 404 311 A 70 THR HG2% A 69 GLU HG2 1.0 1.8 4.56 405 312 A 39 PRO HB2 A 71 ASP H 1.0 1.8 5.90 406 313 A 72 THR HG2% A 75 GLN HB3 1.0 1.8 5.81 407 314 A 58 ILE HG12 A 57 GLN HG3 1.0 1.8 6.00 408 315 A 57 GLN HB2 A 57 GLN HE21 1.0 1.8 4.80 409 316 A 56 ARG HBx A 57 GLN HG2 1.0 1.8 4.73 410 317 A 71 ASP HB3 A 40 LEU HB2 1.0 1.8 4.88 411 318 A 87 PHE HB3 A 25 GLN HGx 1.0 1.8 4.46 412 318 A 25 GLN HGy A 87 PHE HB3 1.0 1.8 4.46 413 319 A 50 ARG H A 49 GLU HG3 1.0 1.8 4.90 414 320 A 49 GLU HG3 A 45 LYS HBx 1.0 1.8 4.97 415 320 A 45 LYS HBy A 49 GLU HG3 1.0 1.8 4.97 416 321 A 49 GLU HG3 A 50 ARG HGx 1.0 1.8 5.62 417 321 A 50 ARG HGy A 49 GLU HG3 1.0 1.8 5.62 418 322 A 81 GLU HG3 A 19 ASN HB3 1.0 1.8 5.20 419 323 A 62 PHE HA A 63 ASP HB2 1.0 1.8 4.96 420 324 A 24 GLY HA3 A 26 ASP HB3 1.0 1.8 5.51 421 325 A 26 ASP HB3 A 27 GLY HA3 1.0 1.8 5.82 422 326 A 62 PHE HD% A 82 ASP HBx 1.0 1.8 5.00 423 327 A 62 PHE H A 61 ARG HD2 1.0 1.8 5.35 424 328 A 61 ARG HD2 A 85 ASP H 1.0 1.8 5.80 425 329 A 65 GLN H A 61 ARG HD2 1.0 1.8 5.28 426 330 A 55 MET HGy A 56 ARG HDx 1.0 1.8 5.95 427 330 A 55 MET HGx A 56 ARG HDx 1.0 1.8 5.95 428 330 A 56 ARG HDy A 55 MET HGx 1.0 1.8 5.95 429 330 A 55 MET HGy A 56 ARG HDy 1.0 1.8 5.95 430 331 A 45 LYS HG2 A 55 MET HGx 1.0 1.8 6.00 431 331 A 45 LYS HG2 A 55 MET HGy 1.0 1.8 6.00 432 332 A 68 ASN HB3 A 67 ILE HA 1.0 1.8 5.12 433 333 A 21 LYS HE3 A 30 VAL H 1.0 1.8 6.00 434 334 A 35 LYS HG2 A 17 HIS HB2 1.0 1.8 4.85 435 335 A 81 GLU HA A 82 ASP HBy 1.0 1.8 5.35 436 336 A 82 ASP HBy A 20 LEU HDx% 1.0 1.8 4.98 437 337 A 84 ILE HD1% A 62 PHE HB2 1.0 1.8 5.72 438 338 A 12 THR HB A 11 LYS HEx 1.0 1.8 5.20 439 338 A 11 LYS HEy A 12 THR HB 1.0 1.8 5.20 440 339 A 8 GLU H A 7 LYS HEx 1.0 1.8 5.94 441 339 A 8 GLU H A 7 LYS HEy 1.0 1.8 5.94 442 340 A 82 ASP HBy A 80 ASP H 1.0 1.8 6.00 443 341 A 25 GLN HB3 A 87 PHE HB2 1.0 1.8 4.67 444 342 A 33 LYS HA A 32 PHE HB3 1.0 1.8 5.93 445 343 A 58 ILE HA A 87 PHE HB2 1.0 1.8 5.84 446 344 A 67 ILE HG2% A 62 PHE HB2 1.0 1.8 4.34 447 345 A 36 ARG HD2 A 73 PRO HDx 1.0 1.8 5.52 448 345 A 36 ARG HD2 A 73 PRO HDy 1.0 1.8 5.52 449 346 A 57 GLN H A 56 ARG HDx 1.0 1.8 4.85 450 346 A 57 GLN H A 56 ARG HDy 1.0 1.8 4.85 451 347 A 17 HIS HA A 36 ARG HD3 1.0 1.8 3.88 452 348 A 44 MET HA A 47 TYR H 1.0 1.8 4.88 453 349 A 41 SER HA A 44 MET HA 1.0 1.8 6.00 454 350 A 44 MET HA A 47 TYR HB3 1.0 1.8 4.48 455 351 A 55 MET HE% A 44 MET HA 1.0 1.8 4.91 456 352 A 44 MET HA A 43 LEU HG 1.0 1.8 4.64 457 353 A 43 LEU HA A 45 LYS HBx 1.0 1.8 6.00 458 353 A 43 LEU HA A 45 LYS HBy 1.0 1.8 6.00 459 354 A 73 PRO HA A 36 ARG HA 1.0 1.8 5.64 460 355 A 6 PRO HDx A 5 LYS HGx 1.0 1.8 5.16 461 355 A 5 LYS HGy A 6 PRO HDx 1.0 1.8 5.16 462 356 A 27 GLY HA3 A 26 ASP H 1.0 1.8 5.45 463 357 A 81 GLU HA A 80 ASP HBx 1.0 1.8 4.90 464 357 A 80 ASP HBy A 81 GLU HA 1.0 1.8 4.90 465 358 A 48 CYS HA A 51 GLN H 1.0 1.8 4.53 466 359 A 48 CYS HA A 45 LYS HDx 1.0 1.8 5.83 467 359 A 45 LYS HDy A 48 CYS HA 1.0 1.8 5.83 468 360 A 48 CYS HA A 51 GLN HGx 1.0 1.8 6.00 469 360 A 48 CYS HA A 51 GLN HGy 1.0 1.8 6.00 470 361 A 45 LYS H A 41 SER HA 1.0 1.8 5.27 471 362 A 39 PRO HB2 A 41 SER HA 1.0 1.8 4.77 472 363 A 44 MET HE% A 41 SER HA 1.0 1.8 4.76 473 364 A 54 SER HB3 A 57 GLN HB3 1.0 1.8 5.42 474 365 A 38 THR HB A 35 LYS HB3 1.0 1.8 4.67 475 366 A 63 ASP HB2 A 64 GLY HA3 1.0 1.8 5.66 476 367 A 23 ALA HB% A 25 GLN HA 1.0 1.8 5.31 477 368 A 12 THR HB A 13 GLU HGx 1.0 1.8 5.84 478 368 A 13 GLU HGy A 12 THR HB 1.0 1.8 5.84 479 369 A 70 THR HA A 69 GLU HA 1.0 1.8 4.86 480 370 A 73 PRO HA A 76 LEU HG 1.0 1.8 4.66 481 371 A 91 THR HB A 92 GLY H 1.0 1.8 5.46 482 372 A 12 THR HA A 11 LYS HGx 1.0 1.8 5.05 483 372 A 12 THR HA A 11 LYS HGy 1.0 1.8 5.05 484 373 A 26 ASP H A 27 GLY HA2 1.0 1.8 5.08 485 374 A 26 ASP HB3 A 27 GLY HA2 1.0 1.8 5.31 486 375 A 60 PHE HE% A 55 MET HA 1.0 1.8 4.45 487 376 A 5 LYS HA A 5 LYS HEx 1.0 1.8 5.02 488 376 A 5 LYS HEy A 5 LYS HA 1.0 1.8 5.02 489 377 A 31 GLN HA A 30 VAL HA 1.0 1.8 4.41 490 378 A 30 VAL HA A 29 VAL HGx% 1.0 1.8 3.79 491 379 A 22 VAL HGx% A 60 PHE HA 1.0 1.8 4.83 492 380 A 18 ILE HA A 19 ASN HA 1.0 1.8 4.57 493 381 A 10 VAL HGx% A 13 GLU HGx 1.0 1.8 4.52 494 381 A 10 VAL HGy% A 13 GLU HGx 1.0 1.8 4.52 495 381 A 13 GLU HGy A 10 VAL HGx% 1.0 1.8 4.52 496 381 A 13 GLU HGy A 10 VAL HGy% 1.0 1.8 4.52 497 382 A 82 ASP H A 20 LEU HDy% 1.0 1.8 5.03 498 383 A 47 TYR HE% A 30 VAL HB 1.0 1.8 4.31 499 384 A 92 GLY HAy A 93 GLY HAx 1.0 1.8 3.73 500 384 A 92 GLY HAx A 93 GLY HAx 1.0 1.8 3.73 501 384 A 93 GLY HAy A 92 GLY HAx 1.0 1.8 3.73 502 384 A 92 GLY HAy A 93 GLY HAy 1.0 1.8 3.73 503 385 A 44 MET HE% A 69 GLU HA 1.0 1.8 3.06 504 386 A 82 ASP HBy A 20 LEU HDy% 1.0 1.8 4.98 505 387 A 76 LEU HDx% A 71 ASP HB2 1.0 1.8 4.83 506 388 A 45 LYS HEx A 55 MET HGx 1.0 1.8 3.07 507 388 A 45 LYS HEy A 55 MET HGx 1.0 1.8 3.07 508 388 A 55 MET HGy A 45 LYS HEx 1.0 1.8 3.07 509 388 A 45 LYS HEy A 55 MET HGy 1.0 1.8 3.07 510 389 A 82 ASP HBx A 20 LEU HDy% 1.0 1.8 5.41 511 390 A 72 THR HG2% A 75 GLN HB2 1.0 1.8 4.56 512 391 A 55 MET HE% A 45 LYS HDx 1.0 1.8 3.71 513 391 A 45 LYS HDy A 55 MET HE% 1.0 1.8 3.71 514 392 A 49 GLU HB3 A 49 GLU HG2 1.0 1.8 3.00 515 393 A 1 MET HE% A 1 MET HGy 1.0 1.8 3.06 516 394 A 1 MET HE% A 1 MET HGx 1.0 1.8 3.06 517 395 A 46 ALA HB% A 50 ARG HGx 1.0 1.8 3.97 518 395 A 46 ALA HB% A 50 ARG HGy 1.0 1.8 3.97 519 396 A 38 THR HG2% A 35 LYS HB2 1.0 1.8 3.65 520 397 A 76 LEU HDx% A 40 LEU HDx% 1.0 1.8 4.81 521 398 A 76 LEU HDx% A 40 LEU HDy% 1.0 1.8 4.81 522 399 A 43 LEU HDy% A 84 ILE HD1% 1.0 1.8 4.08 523 400 A 38 THR HG2% A 39 PRO HG3 1.0 1.8 4.25 524 401 A 46 ALA HB% A 47 TYR HB3 1.0 1.8 4.49 525 402 A 44 MET H A 43 LEU H 1.0 1.8 3.36 526 403 A 40 LEU HA A 43 LEU H 1.0 1.8 3.83 527 404 A 44 MET HA A 43 LEU H 1.0 1.8 5.48 528 405 A 55 MET HE% A 43 LEU H 1.0 1.8 5.84 529 406 A 40 LEU HB3 A 43 LEU H 1.0 1.8 4.80 530 407 A 34 ILE HD1% A 43 LEU H 1.0 1.8 3.60 531 408 A 43 LEU HDx% A 43 LEU H 1.0 1.8 4.28 532 409 A 43 LEU HDy% A 43 LEU H 1.0 1.8 4.25 533 410 A 70 THR H A 69 GLU H 1.0 1.8 3.53 534 411 A 68 ASN HB2 A 70 THR H 1.0 1.8 3.75 535 412 A 70 THR H A 69 GLU HB3 1.0 1.8 4.40 536 413 A 40 LEU HB2 A 70 THR H 1.0 1.8 5.15 537 414 A 57 GLN H A 58 ILE H 1.0 1.8 2.93 538 415 A 59 ARG HA A 58 ILE H 1.0 1.8 5.13 539 416 A 57 GLN HA A 58 ILE H 1.0 1.8 3.44 540 417 A 56 ARG HA A 58 ILE H 1.0 1.8 3.66 541 418 A 58 ILE H A 54 SER HB2 1.0 1.8 6.00 542 419 A 57 GLN HB3 A 58 ILE H 1.0 1.8 4.55 543 420 A 58 ILE HG12 A 58 ILE H 1.0 1.8 3.06 544 421 A 76 LEU H A 74 ALA HA 1.0 1.8 4.19 545 422 A 76 LEU H A 75 GLN HB2 1.0 1.8 3.94 546 423 A 76 LEU H A 78 MET HG2 1.0 1.8 4.53 547 424 A 74 ALA H A 72 THR H 1.0 1.8 5.24 548 425 A 75 GLN H A 72 THR H 1.0 1.8 4.21 549 426 A 73 PRO HA A 72 THR H 1.0 1.8 5.56 550 427 A 72 THR H A 75 GLN HA 1.0 1.8 5.37 551 428 A 71 ASP HB2 A 72 THR H 1.0 1.8 4.19 552 429 A 75 GLN HB3 A 72 THR H 1.0 1.8 3.70 553 430 A 72 THR HG2% A 72 THR H 1.0 1.8 3.38 554 431 A 76 LEU HDx% A 72 THR H 1.0 1.8 4.19 555 432 A 72 THR H A 40 LEU HDy% 1.0 1.8 5.44 556 433 A 35 LYS H A 38 THR H 1.0 1.8 4.47 557 434 A 38 THR H A 37 HIS H 1.0 1.8 3.25 558 435 A 38 THR H A 72 THR HA 1.0 1.8 5.37 559 436 A 38 THR HB A 38 THR H 1.0 1.8 3.09 560 437 A 38 THR H A 37 HIS HBx 1.0 1.8 4.61 561 438 A 38 THR HG2% A 38 THR H 1.0 1.8 3.72 562 439 A 47 TYR H A 46 ALA H 1.0 1.8 3.38 563 440 A 45 LYS H A 46 ALA H 1.0 1.8 3.27 564 441 A 43 LEU H A 46 ALA H 1.0 1.8 5.13 565 442 A 43 LEU HA A 46 ALA H 1.0 1.8 3.95 566 443 A 44 MET HA A 46 ALA H 1.0 1.8 4.50 567 444 A 46 ALA H A 45 LYS HBx 1.0 1.8 3.15 568 444 A 45 LYS HBy A 46 ALA H 1.0 1.8 3.15 569 445 A 46 ALA HB% A 46 ALA H 1.0 1.8 2.75 570 446 A 43 LEU HG A 46 ALA H 1.0 1.8 5.57 571 447 A 68 ASN H A 71 ASP H 1.0 1.8 4.09 572 448 A 40 LEU H A 71 ASP H 1.0 1.8 4.20 573 449 A 69 GLU H A 71 ASP H 1.0 1.8 4.68 574 450 A 71 ASP H A 41 SER H 1.0 1.8 5.23 575 451 A 70 THR H A 71 ASP H 1.0 1.8 3.18 576 452 A 71 ASP H A 68 ASN HA 1.0 1.8 4.87 577 453 A 71 ASP H A 70 THR HB 1.0 1.8 4.38 578 454 A 69 GLU HA A 71 ASP H 1.0 1.8 4.34 579 455 A 71 ASP H A 71 ASP HB2 1.0 1.8 3.22 580 456 A 68 ASN HB2 A 71 ASP H 1.0 1.8 4.00 581 457 A 71 ASP HB3 A 71 ASP H 1.0 1.8 3.61 582 458 A 40 LEU HB2 A 71 ASP H 1.0 1.8 4.14 583 459 A 40 LEU HG A 71 ASP H 1.0 1.8 5.40 584 460 A 44 MET HE% A 71 ASP H 1.0 1.8 5.64 585 461 A 70 THR HG2% A 71 ASP H 1.0 1.8 4.02 586 462 A 75 GLN H A 77 GLU H 1.0 1.8 4.43 587 463 A 76 LEU H A 77 GLU H 1.0 1.8 3.37 588 464 A 74 ALA HA A 77 GLU H 1.0 1.8 3.78 589 465 A 77 GLU HA A 77 GLU H 1.0 1.8 2.90 590 466 A 77 GLU H A 77 GLU HGx 1.0 1.8 3.08 591 466 A 77 GLU HGy A 77 GLU H 1.0 1.8 3.08 592 467 A 78 MET HG2 A 77 GLU H 1.0 1.8 4.38 593 468 A 49 GLU H A 52 GLY H 1.0 1.8 4.66 594 469 A 53 LEU H A 52 GLY H 1.0 1.8 3.13 595 470 A 52 GLY H A 52 GLY HAx 1.0 1.8 2.77 596 470 A 52 GLY HAy A 52 GLY H 1.0 1.8 2.77 597 471 A 51 GLN HB3 A 52 GLY H 1.0 1.8 3.97 598 472 A 52 GLY H A 51 GLN HGx 1.0 1.8 4.90 599 472 A 51 GLN HGy A 52 GLY H 1.0 1.8 4.90 600 473 A 51 GLN HB2 A 52 GLY H 1.0 1.8 3.93 601 474 A 52 GLY H A 53 LEU HG 1.0 1.8 4.33 602 475 A 47 TYR HD% A 51 GLN H 1.0 1.8 4.86 603 476 A 51 GLN HE21 A 51 GLN H 1.0 1.8 4.74 604 477 A 51 GLN H A 51 GLN HGx 1.0 1.8 3.91 605 477 A 51 GLN H A 51 GLN HGy 1.0 1.8 3.91 606 478 A 51 GLN HB2 A 51 GLN H 1.0 1.8 3.37 607 479 A 76 LEU H A 78 MET H 1.0 1.8 4.02 608 480 A 74 ALA HA A 78 MET H 1.0 1.8 4.01 609 481 A 77 GLU HA A 78 MET H 1.0 1.8 3.39 610 482 A 78 MET HG2 A 78 MET H 1.0 1.8 3.23 611 483 A 86 VAL H A 61 ARG H 1.0 1.8 5.08 612 484 A 86 VAL H A 25 GLN H 1.0 1.8 4.88 613 485 A 86 VAL H A 85 ASP H 1.0 1.8 5.33 614 486 A 86 VAL H A 87 PHE H 1.0 1.8 4.41 615 487 A 86 VAL H A 85 ASP HA 1.0 1.8 2.76 616 488 A 86 VAL H A 24 GLY HA3 1.0 1.8 5.60 617 489 A 86 VAL H A 86 VAL HB 1.0 1.8 3.29 618 490 A 86 VAL H A 86 VAL HGx% 1.0 1.8 3.65 619 491 A 22 VAL HGx% A 86 VAL H 1.0 1.8 4.25 620 492 A 57 GLN H A 57 GLN HE21 1.0 1.8 4.78 621 493 A 57 GLN H A 55 MET HA 1.0 1.8 3.91 622 494 A 57 GLN H A 57 GLN HB2 1.0 1.8 3.07 623 495 A 57 GLN H A 56 ARG HGx 1.0 1.8 3.76 624 495 A 56 ARG HGy A 57 GLN H 1.0 1.8 3.76 625 496 A 58 ILE HG2% A 57 GLN H 1.0 1.8 4.12 626 497 A 37 HIS H A 36 ARG H 1.0 1.8 3.95 627 498 A 37 HIS H A 35 LYS HA 1.0 1.8 4.51 628 499 A 37 HIS H A 73 PRO HDx 1.0 1.8 5.21 629 499 A 73 PRO HDy A 37 HIS H 1.0 1.8 5.21 630 500 A 37 HIS H A 37 HIS HBy 1.0 1.8 3.72 631 501 A 36 ARG HG2 A 37 HIS H 1.0 1.8 4.02 632 502 A 37 HIS H A 36 ARG HB2 1.0 1.8 4.47 633 503 A 74 ALA HB% A 37 HIS H 1.0 1.8 4.51 634 504 A 35 LYS HG3 A 37 HIS H 1.0 1.8 5.48 635 505 A 65 GLN H A 63 ASP H 1.0 1.8 4.41 636 506 A 62 PHE H A 65 GLN H 1.0 1.8 3.46 637 507 A 65 GLN H A 64 GLY H 1.0 1.8 3.42 638 508 A 62 PHE HD% A 65 GLN H 1.0 1.8 4.90 639 509 A 65 GLN H A 63 ASP HB2 1.0 1.8 4.12 640 510 A 67 ILE HD1% A 65 GLN H 1.0 1.8 5.24 641 511 A 25 GLN H A 27 GLY H 1.0 1.8 4.76 642 512 A 27 GLY H A 26 ASP HA 1.0 1.8 3.51 643 513 A 27 GLY H A 26 ASP HB2 1.0 1.8 4.45 644 514 A 25 GLN HB2 A 27 GLY H 1.0 1.8 5.23 645 515 A 25 GLN HB3 A 27 GLY H 1.0 1.8 5.63 646 516 A 23 ALA HB% A 27 GLY H 1.0 1.8 5.62 647 517 A 68 ASN H A 67 ILE H 1.0 1.8 4.49 648 518 A 62 PHE H A 67 ILE H 1.0 1.8 4.36 649 519 A 60 PHE HD% A 67 ILE H 1.0 1.8 6.00 650 520 A 67 ILE H A 61 ARG HA 1.0 1.8 3.66 651 521 A 67 ILE H A 66 PRO HA 1.0 1.8 3.06 652 522 A 67 ILE H A 60 PHE HB2 1.0 1.8 4.38 653 523 A 60 PHE HB3 A 67 ILE H 1.0 1.8 4.62 654 524 A 67 ILE H A 66 PRO HB2 1.0 1.8 3.71 655 525 A 67 ILE H A 66 PRO HB3 1.0 1.8 3.80 656 526 A 67 ILE HB A 67 ILE H 1.0 1.8 3.87 657 527 A 67 ILE H A 67 ILE HG12 1.0 1.8 3.38 658 528 A 67 ILE HD1% A 67 ILE H 1.0 1.8 3.73 659 529 A 11 LYS H A 10 VAL H 1.0 1.8 4.54 660 530 A 76 LEU H A 75 GLN H 1.0 1.8 3.19 661 531 A 10 VAL H A 9 GLY HAx 1.0 1.8 2.57 662 531 A 10 VAL H A 9 GLY HAy 1.0 1.8 2.57 663 532 A 75 GLN H A 75 GLN HB3 1.0 1.8 3.22 664 533 A 10 VAL H A 10 VAL HGx% 1.0 1.8 2.85 665 533 A 10 VAL HGy% A 10 VAL H 1.0 1.8 2.85 666 534 A 49 GLU H A 50 ARG H 1.0 1.8 3.27 667 535 A 50 ARG H A 51 GLN H 1.0 1.8 3.18 668 536 A 50 ARG H A 50 ARG HGx 1.0 1.8 3.28 669 536 A 50 ARG HGy A 50 ARG H 1.0 1.8 3.28 670 537 A 2 ALA HB% A 2 ALA H 1.0 1.8 2.85 671 538 A 25 GLN H A 28 SER H 1.0 1.8 5.42 672 539 A 24 GLY H A 28 SER H 1.0 1.8 3.67 673 540 A 26 ASP H A 28 SER H 1.0 1.8 4.09 674 541 A 28 SER H A 28 SER HBy 1.0 1.8 3.62 675 542 A 26 ASP HB2 A 28 SER H 1.0 1.8 4.91 676 543 A 68 ASN HB2 A 68 ASN HD22 1.0 1.8 3.65 677 544 A 29 VAL HB A 28 SER H 1.0 1.8 5.24 678 545 A 23 ALA HB% A 28 SER H 1.0 1.8 4.85 679 546 A 82 ASP H A 81 GLU H 1.0 1.8 3.31 680 547 A 19 ASN H A 82 ASP H 1.0 1.8 5.97 681 548 A 20 LEU H A 82 ASP H 1.0 1.8 6.00 682 549 A 82 ASP H A 21 LYS H 1.0 1.8 4.73 683 550 A 82 ASP H A 20 LEU HA 1.0 1.8 4.24 684 551 A 82 ASP HBy A 82 ASP H 1.0 1.8 3.21 685 552 A 82 ASP HBx A 82 ASP H 1.0 1.8 3.28 686 553 A 18 ILE HD1% A 82 ASP H 1.0 1.8 4.61 687 554 A 19 ASN HD22 A 33 LYS HDx 1.0 1.8 5.00 688 554 A 33 LYS HDy A 19 ASN HD22 1.0 1.8 5.00 689 555 A 56 ARG H A 55 MET H 1.0 1.8 3.62 690 556 A 57 GLN H A 56 ARG H 1.0 1.8 3.28 691 557 A 19 ASN HD22 A 18 ILE HA 1.0 1.8 4.70 692 558 A 56 ARG H A 56 ARG HDx 1.0 1.8 4.21 693 558 A 56 ARG HDy A 56 ARG H 1.0 1.8 4.21 694 559 A 57 GLN HG3 A 56 ARG H 1.0 1.8 5.93 695 560 A 58 ILE HG2% A 56 ARG H 1.0 1.8 5.66 696 561 A 53 LEU H A 54 SER H 1.0 1.8 4.55 697 562 A 53 LEU H A 52 GLY HAx 1.0 1.8 3.21 698 562 A 53 LEU H A 52 GLY HAy 1.0 1.8 3.21 699 563 A 53 LEU H A 53 LEU HDx% 1.0 1.8 3.25 700 564 A 36 ARG H A 18 ILE H 1.0 1.8 4.86 701 565 A 36 ARG H A 35 LYS HA 1.0 1.8 3.48 702 566 A 36 ARG HD2 A 36 ARG H 1.0 1.8 4.45 703 567 A 17 HIS HB2 A 36 ARG H 1.0 1.8 4.60 704 568 A 36 ARG HG2 A 36 ARG H 1.0 1.8 3.41 705 569 A 36 ARG H A 36 ARG HB2 1.0 1.8 4.00 706 570 A 18 ILE HG2% A 36 ARG H 1.0 1.8 4.85 707 571 A 18 ILE H A 17 HIS H 1.0 1.8 4.52 708 572 A 18 ILE HG2% A 17 HIS H 1.0 1.8 4.88 709 573 A 49 GLU H A 47 TYR H 1.0 1.8 4.22 710 574 A 60 PHE HD% A 44 MET H 1.0 1.8 6.00 711 575 A 44 MET H A 40 LEU HA 1.0 1.8 4.51 712 576 A 3 ASP H A 3 ASP HBx 1.0 1.8 3.74 713 577 A 45 LYS H A 45 LYS HBx 1.0 1.8 2.84 714 577 A 45 LYS H A 45 LYS HBy 1.0 1.8 2.84 715 578 A 43 LEU HB3 A 44 MET H 1.0 1.8 3.13 716 579 A 44 MET H A 43 LEU HG 1.0 1.8 4.31 717 580 A 49 GLU H A 49 GLU HG3 1.0 1.8 3.45 718 581 A 25 GLN H A 26 ASP H 1.0 1.8 3.55 719 582 A 26 ASP H A 27 GLY H 1.0 1.8 3.13 720 583 A 74 ALA H A 77 GLU H 1.0 1.8 5.00 721 584 A 76 LEU H A 74 ALA H 1.0 1.8 4.24 722 585 A 26 ASP H A 25 GLN HE22 1.0 1.8 5.05 723 586 A 12 THR H A 12 THR HB 1.0 1.8 3.61 724 587 A 24 GLY HA3 A 26 ASP H 1.0 1.8 3.47 725 588 A 26 ASP HB3 A 26 ASP H 1.0 1.8 3.44 726 589 A 12 THR H A 11 LYS HBy 1.0 1.8 4.55 727 590 A 74 ALA HB% A 74 ALA H 1.0 1.8 2.92 728 591 A 35 LYS H A 34 ILE H 1.0 1.8 4.89 729 592 A 88 GLN H A 89 GLN H 1.0 1.8 5.15 730 593 A 35 LYS H A 36 ARG H 1.0 1.8 4.73 731 594 A 35 LYS H A 37 HIS H 1.0 1.8 5.45 732 595 A 5 LYS H A 6 PRO HDx 1.0 1.8 4.58 733 596 A 87 PHE HB2 A 89 GLN H 1.0 1.8 4.83 734 597 A 35 LYS H A 35 LYS HB2 1.0 1.8 2.93 735 598 A 35 LYS H A 35 LYS HG2 1.0 1.8 3.85 736 599 A 35 LYS H A 35 LYS HG3 1.0 1.8 3.61 737 600 A 89 GLN H A 88 GLN HB3 1.0 1.8 4.10 738 601 A 17 HIS H A 16 ASP H 1.0 1.8 4.36 739 602 A 16 ASP H A 16 ASP HBx 1.0 1.8 3.39 740 602 A 16 ASP H A 16 ASP HBy 1.0 1.8 3.39 741 603 A 69 GLU HA A 41 SER H 1.0 1.8 3.59 742 604 A 39 PRO HB2 A 41 SER H 1.0 1.8 3.84 743 605 A 41 SER H A 39 PRO HG2 1.0 1.8 4.18 744 606 A 90 GLN H A 91 THR H 1.0 1.8 5.03 745 607 A 47 TYR H A 48 CYS H 1.0 1.8 3.49 746 608 A 50 ARG H A 48 CYS H 1.0 1.8 4.95 747 609 A 46 ALA HA A 48 CYS H 1.0 1.8 4.88 748 610 A 48 CYS H A 48 CYS HBx 1.0 1.8 3.75 749 611 A 48 CYS H A 45 LYS HBx 1.0 1.8 5.15 750 611 A 45 LYS HBy A 48 CYS H 1.0 1.8 5.15 751 612 A 58 ILE HD1% A 48 CYS H 1.0 1.8 4.50 752 613 A 43 LEU HDy% A 48 CYS H 1.0 1.8 5.46 753 614 A 84 ILE H A 83 THR H 1.0 1.8 4.51 754 615 A 62 PHE HD% A 83 THR H 1.0 1.8 4.08 755 616 A 83 THR H A 82 ASP HA 1.0 1.8 3.00 756 617 A 82 ASP HBy A 83 THR H 1.0 1.8 3.98 757 618 A 83 THR HG2% A 83 THR H 1.0 1.8 3.95 758 619 A 79 GLU HA A 80 ASP H 1.0 1.8 3.00 759 620 A 80 ASP H A 80 ASP HBx 1.0 1.8 2.84 760 620 A 80 ASP HBy A 80 ASP H 1.0 1.8 2.84 761 621 A 18 ILE HD1% A 80 ASP H 1.0 1.8 4.52 762 622 A 9 GLY H A 10 VAL H 1.0 1.8 4.01 763 623 A 9 GLY H A 10 VAL HA 1.0 1.8 5.56 764 624 A 9 GLY H A 9 GLY HAx 1.0 1.8 2.86 765 624 A 9 GLY H A 9 GLY HAy 1.0 1.8 2.86 766 625 A 59 ARG H A 60 PHE H 1.0 1.8 4.55 767 626 A 59 ARG H A 58 ILE H 1.0 1.8 4.53 768 627 A 59 ARG H A 60 PHE HD% 1.0 1.8 4.69 769 628 A 60 PHE HA A 59 ARG H 1.0 1.8 5.12 770 629 A 59 ARG H A 87 PHE HB2 1.0 1.8 5.21 771 630 A 59 ARG H A 59 ARG HB3 1.0 1.8 3.79 772 631 A 20 LEU H A 33 LYS H 1.0 1.8 4.93 773 632 A 32 PHE HB3 A 33 LYS H 1.0 1.8 3.72 774 633 A 33 LYS H A 33 LYS HBx 1.0 1.8 3.28 775 634 A 34 ILE HG2% A 33 LYS H 1.0 1.8 5.62 776 635 A 8 GLU H A 8 GLU HBx 1.0 1.8 3.07 777 635 A 8 GLU HBy A 8 GLU H 1.0 1.8 3.07 778 636 A 31 GLN H A 32 PHE H 1.0 1.8 4.66 779 637 A 31 GLN H A 30 VAL HA 1.0 1.8 2.80 780 638 A 31 GLN H A 31 GLN HB3 1.0 1.8 3.78 781 639 A 12 THR HA A 13 GLU H 1.0 1.8 3.29 782 640 A 57 GLN H A 54 SER H 1.0 1.8 4.80 783 641 A 55 MET HA A 54 SER H 1.0 1.8 5.59 784 642 A 54 SER HB3 A 54 SER H 1.0 1.8 3.62 785 643 A 54 SER HB2 A 54 SER H 1.0 1.8 3.29 786 644 A 57 GLN HB2 A 54 SER H 1.0 1.8 4.15 787 645 A 57 GLN HB3 A 54 SER H 1.0 1.8 4.99 788 646 A 12 THR H A 11 LYS H 1.0 1.8 4.36 789 647 A 11 LYS H A 10 VAL HA 1.0 1.8 2.61 790 648 A 11 LYS H A 10 VAL HB 1.0 1.8 4.46 791 649 A 11 LYS H A 11 LYS HGx 1.0 1.8 4.19 792 649 A 11 LYS H A 11 LYS HGy 1.0 1.8 4.19 793 650 A 13 GLU HA A 14 ASN H 1.0 1.8 3.48 794 651 A 14 ASN H A 13 GLU HGx 1.0 1.8 4.64 795 651 A 13 GLU HGy A 14 ASN H 1.0 1.8 4.64 796 652 A 29 VAL H A 28 SER H 1.0 1.8 4.53 797 653 A 23 ALA HA A 29 VAL H 1.0 1.8 4.78 798 654 A 29 VAL H A 28 SER HA 1.0 1.8 2.78 799 655 A 32 PHE HE% A 30 VAL H 1.0 1.8 5.04 800 656 A 47 TYR HE% A 30 VAL H 1.0 1.8 4.73 801 657 A 23 ALA HA A 30 VAL H 1.0 1.8 3.98 802 658 A 29 VAL HA A 30 VAL H 1.0 1.8 3.01 803 659 A 30 VAL H A 30 VAL HB 1.0 1.8 3.43 804 660 A 22 VAL HGx% A 30 VAL H 1.0 1.8 4.80 805 661 A 24 GLY H A 25 GLN H 1.0 1.8 4.64 806 662 A 24 GLY H A 26 ASP H 1.0 1.8 5.00 807 663 A 23 ALA HA A 24 GLY H 1.0 1.8 2.91 808 664 A 24 GLY H A 28 SER HA 1.0 1.8 5.09 809 665 A 86 VAL HGy% A 24 GLY H 1.0 1.8 5.59 810 666 A 84 ILE H A 21 LYS H 1.0 1.8 4.34 811 667 A 16 ASP H A 15 ASN H 1.0 1.8 4.84 812 668 A 21 LYS H A 20 LEU HA 1.0 1.8 3.10 813 669 A 81 GLU HA A 21 LYS H 1.0 1.8 5.13 814 670 A 15 ASN H A 15 ASN HBx 1.0 1.8 3.76 815 670 A 15 ASN H A 15 ASN HBy 1.0 1.8 3.76 816 671 A 21 LYS HB3 A 21 LYS H 1.0 1.8 3.78 817 672 A 20 LEU HB2 A 21 LYS H 1.0 1.8 4.61 818 673 A 20 LEU HG A 21 LYS H 1.0 1.8 4.97 819 674 A 20 LEU HB3 A 21 LYS H 1.0 1.8 3.43 820 675 A 43 LEU HDx% A 21 LYS H 1.0 1.8 5.30 821 676 A 88 GLN H A 87 PHE HD% 1.0 1.8 4.51 822 677 A 87 PHE HA A 88 GLN H 1.0 1.8 2.81 823 678 A 88 GLN H A 89 GLN HA 1.0 1.8 5.19 824 679 A 88 GLN H A 87 PHE HB3 1.0 1.8 3.84 825 680 A 88 GLN H A 88 GLN HB3 1.0 1.8 3.78 826 681 A 88 GLN H A 88 GLN HB2 1.0 1.8 3.21 827 682 A 86 VAL HGx% A 88 GLN H 1.0 1.8 4.89 828 683 A 87 PHE H A 25 GLN H 1.0 1.8 5.41 829 684 A 87 PHE H A 59 ARG H 1.0 1.8 3.66 830 685 A 87 PHE H A 58 ILE HA 1.0 1.8 4.78 831 686 A 87 PHE H A 87 PHE HB2 1.0 1.8 3.89 832 687 A 87 PHE H A 87 PHE HB3 1.0 1.8 3.69 833 688 A 87 PHE H A 25 GLN HGx 1.0 1.8 4.90 834 688 A 87 PHE H A 25 GLN HGy 1.0 1.8 4.90 835 689 A 87 PHE H A 58 ILE HG2% 1.0 1.8 4.53 836 690 A 86 VAL HGy% A 87 PHE H 1.0 1.8 3.62 837 691 A 90 GLN H A 90 GLN HGx 1.0 1.8 3.76 838 691 A 90 GLN HGy A 90 GLN H 1.0 1.8 3.76 839 692 A 90 GLN H A 90 GLN HBx 1.0 1.8 3.33 840 692 A 90 GLN HBy A 90 GLN H 1.0 1.8 3.33 841 693 A 64 GLY H A 63 ASP H 1.0 1.8 3.51 842 694 A 48 CYS HA A 47 TYR H 1.0 1.8 5.37 843 695 A 43 LEU HA A 47 TYR H 1.0 1.8 4.26 844 696 A 47 TYR H A 47 TYR HB2 1.0 1.8 3.30 845 697 A 47 TYR H A 47 TYR HB3 1.0 1.8 3.38 846 698 A 46 ALA HB% A 47 TYR H 1.0 1.8 3.23 847 699 A 22 VAL HGy% A 47 TYR H 1.0 1.8 4.48 848 700 A 34 ILE H A 33 LYS H 1.0 1.8 4.51 849 701 A 33 LYS HA A 34 ILE H 1.0 1.8 3.12 850 702 A 19 ASN H A 20 LEU HA 1.0 1.8 5.31 851 703 A 19 ASN H A 18 ILE HA 1.0 1.8 3.15 852 704 A 19 ASN H A 19 ASN HB2 1.0 1.8 3.40 853 705 A 19 ASN H A 19 ASN HB3 1.0 1.8 3.70 854 706 A 19 ASN H A 81 GLU HG2 1.0 1.8 5.17 855 707 A 34 ILE HB A 34 ILE H 1.0 1.8 4.17 856 708 A 19 ASN H A 18 ILE HB 1.0 1.8 3.47 857 709 A 34 ILE HG2% A 34 ILE H 1.0 1.8 3.38 858 710 A 62 PHE H A 61 ARG H 1.0 1.8 4.65 859 711 A 62 PHE H A 62 PHE HD% 1.0 1.8 4.54 860 712 A 62 PHE H A 61 ARG HA 1.0 1.8 3.19 861 713 A 24 GLY HA3 A 25 GLN H 1.0 1.8 3.44 862 714 A 62 PHE H A 62 PHE HB3 1.0 1.8 3.81 863 715 A 25 GLN H A 25 GLN HGx 1.0 1.8 3.36 864 715 A 25 GLN HGy A 25 GLN H 1.0 1.8 3.36 865 716 A 25 GLN HB2 A 25 GLN H 1.0 1.8 3.68 866 717 A 25 GLN HB3 A 25 GLN H 1.0 1.8 3.32 867 718 A 62 PHE H A 61 ARG HB3 1.0 1.8 4.25 868 719 A 62 PHE H A 67 ILE HG2% 1.0 1.8 3.70 869 720 A 86 VAL HGy% A 25 GLN H 1.0 1.8 5.17 870 721 A 62 PHE HD% A 85 ASP H 1.0 1.8 4.60 871 722 A 85 ASP H A 87 PHE HE% 1.0 1.8 5.82 872 723 A 84 ILE HA A 85 ASP H 1.0 1.8 3.17 873 724 A 54 SER HB2 A 55 MET H 1.0 1.8 4.50 874 725 A 57 GLN HB2 A 55 MET H 1.0 1.8 5.63 875 726 A 58 ILE HG13 A 55 MET H 1.0 1.8 5.59 876 727 A 84 ILE HD1% A 85 ASP H 1.0 1.8 4.78 877 728 A 86 VAL HGy% A 85 ASP H 1.0 1.8 5.29 878 729 A 20 LEU H A 21 LYS H 1.0 1.8 4.58 879 730 A 20 LEU H A 19 ASN HA 1.0 1.8 2.98 880 731 A 20 LEU HB2 A 20 LEU H 1.0 1.8 3.41 881 732 A 20 LEU HB3 A 20 LEU H 1.0 1.8 3.79 882 733 A 34 ILE HG2% A 20 LEU H 1.0 1.8 4.62 883 734 A 20 LEU H A 20 LEU HDx% 1.0 1.8 4.71 884 735 A 40 LEU H A 39 PRO HA 1.0 1.8 3.37 885 736 A 40 LEU H A 39 PRO HB2 1.0 1.8 4.16 886 737 A 40 LEU H A 40 LEU HB2 1.0 1.8 3.76 887 738 A 40 LEU H A 40 LEU HDy% 1.0 1.8 3.96 888 739 A 61 ARG H A 60 PHE H 1.0 1.8 4.69 889 740 A 87 PHE H A 60 PHE H 1.0 1.8 5.48 890 741 A 69 GLU H A 68 ASN HA 1.0 1.8 3.22 891 742 A 59 ARG HA A 60 PHE H 1.0 1.8 3.07 892 743 A 69 GLU H A 41 SER HA 1.0 1.8 5.20 893 744 A 60 PHE H A 59 ARG HD2 1.0 1.8 4.50 894 745 A 68 ASN HB2 A 69 GLU H 1.0 1.8 3.49 895 746 A 69 GLU H A 69 GLU HB3 1.0 1.8 3.42 896 747 A 60 PHE H A 59 ARG HB2 1.0 1.8 4.42 897 748 A 32 PHE H A 31 GLN HA 1.0 1.8 2.91 898 749 A 32 PHE H A 32 PHE HB3 1.0 1.8 3.91 899 750 A 32 PHE H A 32 PHE HB2 1.0 1.8 4.09 900 751 A 32 PHE H A 31 GLN HB3 1.0 1.8 4.01 901 752 A 18 ILE HB A 18 ILE H 1.0 1.8 3.97 902 753 A 18 ILE HG13 A 18 ILE H 1.0 1.8 3.89 903 754 A 18 ILE HG2% A 18 ILE H 1.0 1.8 3.53 904 755 A 18 ILE HD1% A 18 ILE H 1.0 1.8 4.35 905 756 A 30 VAL H A 22 VAL H 1.0 1.8 3.59 906 757 A 31 GLN HA A 22 VAL H 1.0 1.8 4.29 907 758 A 21 LYS HA A 22 VAL H 1.0 1.8 3.11 908 759 A 30 VAL HA A 22 VAL H 1.0 1.8 5.08 909 760 A 21 LYS HE2 A 22 VAL H 1.0 1.8 5.61 910 761 A 21 LYS HE3 A 22 VAL H 1.0 1.8 6.00 911 762 A 22 VAL HB A 22 VAL H 1.0 1.8 3.49 912 763 A 21 LYS HB3 A 22 VAL H 1.0 1.8 3.94 913 764 A 21 LYS HG2 A 22 VAL H 1.0 1.8 4.00 914 765 A 22 VAL HGy% A 22 VAL H 1.0 1.8 3.44 915 766 A 22 VAL HGx% A 22 VAL H 1.0 1.8 4.08 916 767 A 68 ASN H A 70 THR H 1.0 1.8 5.25 917 768 A 68 ASN H A 67 ILE HA 1.0 1.8 3.03 918 769 A 68 ASN H A 68 ASN HB2 1.0 1.8 3.59 919 770 A 71 ASP HB3 A 68 ASN H 1.0 1.8 4.30 920 771 A 67 ILE HB A 68 ASN H 1.0 1.8 3.76 921 772 A 85 ASP H A 23 ALA H 1.0 1.8 5.01 922 773 A 22 VAL HA A 23 ALA H 1.0 1.8 3.14 923 774 A 23 ALA H A 24 GLY HA2 1.0 1.8 5.79 924 775 A 84 ILE HA A 23 ALA H 1.0 1.8 6.00 925 776 A 23 ALA H A 85 ASP HBx 1.0 1.8 5.36 926 776 A 85 ASP HBy A 23 ALA H 1.0 1.8 5.36 927 777 A 86 VAL HGy% A 23 ALA H 1.0 1.8 4.63 928 778 A 22 VAL HGx% A 23 ALA H 1.0 1.8 3.61 929 779 A 79 GLU H A 82 ASP H 1.0 1.8 4.94 930 780 A 79 GLU H A 78 MET H 1.0 1.8 4.57 931 781 A 79 GLU H A 82 ASP HA 1.0 1.8 5.44 932 782 A 78 MET HA A 79 GLU H 1.0 1.8 3.17 933 783 A 79 GLU H A 82 ASP HBy 1.0 1.8 4.32 934 784 A 79 GLU H A 82 ASP HBx 1.0 1.8 4.28 935 785 A 78 MET HG3 A 79 GLU H 1.0 1.8 3.81 936 786 A 79 GLU H A 78 MET HB2 1.0 1.8 3.41 937 787 A 79 GLU H A 78 MET HB3 1.0 1.8 3.77 938 788 A 84 ILE H A 85 ASP H 1.0 1.8 4.80 939 789 A 84 ILE H A 83 THR HA 1.0 1.8 3.26 940 790 A 22 VAL HA A 84 ILE H 1.0 1.8 3.83 941 791 A 84 ILE H A 84 ILE HB 1.0 1.8 3.59 942 792 A 84 ILE H A 84 ILE HG12 1.0 1.8 4.64 943 793 A 22 VAL HGx% A 84 ILE H 1.0 1.8 4.72 944 794 A 62 PHE H A 63 ASP H 1.0 1.8 4.49 945 795 A 62 PHE HA A 63 ASP H 1.0 1.8 3.29 946 796 A 84 ILE HA A 63 ASP H 1.0 1.8 5.26 947 797 A 63 ASP H A 64 GLY HA2 1.0 1.8 5.17 948 798 A 62 PHE HB2 A 63 ASP H 1.0 1.8 4.53 949 799 A 62 PHE HB3 A 63 ASP H 1.0 1.8 4.59 950 800 A 84 ILE HG13 A 63 ASP H 1.0 1.8 5.61 951 801 A 63 ASP H A 63 ASP HB3 1.0 1.8 4.14 952 802 A 80 ASP H A 81 GLU H 1.0 1.8 4.60 953 803 A 81 GLU H A 20 LEU HA 1.0 1.8 4.81 954 804 A 81 GLU H A 82 ASP HA 1.0 1.8 5.26 955 805 A 80 ASP HA A 81 GLU H 1.0 1.8 3.29 956 806 A 81 GLU H A 80 ASP HBx 1.0 1.8 3.59 957 806 A 80 ASP HBy A 81 GLU H 1.0 1.8 3.59 958 807 A 81 GLU HG2 A 81 GLU H 1.0 1.8 4.04 959 808 A 61 ARG H A 85 ASP H 1.0 1.8 3.71 960 809 A 87 PHE H A 61 ARG H 1.0 1.8 5.32 961 810 A 60 PHE HD% A 61 ARG H 1.0 1.8 4.34 962 811 A 60 PHE HA A 61 ARG H 1.0 1.8 3.10 963 812 A 86 VAL HA A 61 ARG H 1.0 1.8 3.99 964 813 A 60 PHE HB2 A 61 ARG H 1.0 1.8 4.24 965 814 A 61 ARG HB3 A 61 ARG H 1.0 1.8 3.90 966 815 A 67 ILE HD1% A 61 ARG H 1.0 1.8 4.24 967 816 A 86 VAL HGy% A 61 ARG H 1.0 1.8 5.01 968 817 A 21 LYS HE3 A 31 GLN HE21 1.0 1.8 3.73 969 818 A 21 LYS HB3 A 31 GLN HE21 1.0 1.8 4.64 970 819 A 14 ASN H A 14 ASN HD2y 1.0 1.8 5.02 971 820 A 19 ASN HD21 A 33 LYS HDx 1.0 1.8 5.40 972 820 A 33 LYS HDy A 19 ASN HD21 1.0 1.8 5.40 973 821 A 25 GLN H A 25 GLN HE21 1.0 1.8 5.34 974 822 A 88 GLN H A 25 GLN HE21 1.0 1.8 5.29 975 823 A 26 ASP H A 25 GLN HE21 1.0 1.8 5.16 976 824 A 25 GLN HE21 A 25 GLN HGx 1.0 1.8 3.14 977 824 A 25 GLN HGy A 25 GLN HE21 1.0 1.8 3.14 978 825 A 88 GLN H A 25 GLN HE22 1.0 1.8 6.00 979 826 A 25 GLN HE22 A 25 GLN HGx 1.0 1.8 3.55 980 826 A 25 GLN HGy A 25 GLN HE22 1.0 1.8 3.55 981 827 A 54 SER HB2 A 57 GLN HE22 1.0 1.8 5.87 982 828 A 57 GLN HG2 A 57 GLN HE22 1.0 1.8 3.63 983 829 A 31 GLN HB3 A 31 GLN HE21 1.0 1.8 4.62 984 830 A 21 LYS HG2 A 31 GLN HE21 1.0 1.8 4.96 985 831 A 59 ARG H A 89 GLN HE2y 1.0 1.8 6.00 986 832 A 89 GLN HE2y A 89 GLN HBy 1.0 1.8 4.98 987 833 A 31 GLN HE22 A 21 LYS HDx 1.0 1.8 4.85 988 833 A 21 LYS HDy A 31 GLN HE22 1.0 1.8 4.85 989 834 A 51 GLN HE21 A 52 GLY HAx 1.0 1.8 6.00 990 834 A 51 GLN HE21 A 52 GLY HAy 1.0 1.8 6.00 991 835 A 51 GLN HE21 A 30 VAL HGy% 1.0 1.8 4.91 992 836 A 90 GLN H A 90 GLN HE2y 1.0 1.8 5.16 993 837 A 65 GLN H A 65 GLN HE21 1.0 1.8 4.46 994 838 A 64 GLY HA3 A 65 GLN HE21 1.0 1.8 5.22 995 839 A 65 GLN HE21 A 65 GLN HB2 1.0 1.8 4.52 996 840 A 67 ILE HA A 68 ASN HD21 1.0 1.8 5.11 997 841 A 67 ILE HG2% A 68 ASN HD21 1.0 1.8 5.89 998 842 A 88 GLN HB2 A 88 GLN HE22 1.0 1.8 4.85 999 843 A 53 LEU HDy% A 88 GLN HE21 1.0 1.8 4.19 1000 844 A 88 GLN HA A 88 GLN HE22 1.0 1.8 5.67 1001 845 A 53 LEU HDy% A 88 GLN HE22 1.0 1.8 4.29 1002 846 A 89 GLN HA A 89 GLN HE2y 1.0 1.8 5.34 1003 847 A 90 GLN H A 90 GLN HE2x 1.0 1.8 5.16 1004 848 A 36 ARG HB2 A 36 ARG HE 1.0 1.8 4.63 1005 849 A 57 GLN HE21 A 58 ILE H 1.0 1.8 4.82 1006 850 A 58 ILE HB A 58 ILE H 1.0 1.8 3.99 1007 851 A 59 ARG HG2 A 58 ILE H 1.0 1.8 4.65 1008 852 A 38 THR H A 35 LYS HB3 1.0 1.8 4.05 1009 853 A 18 ILE HD1% A 78 MET H 1.0 1.8 4.76 1010 854 A 86 VAL H A 25 GLN HB3 1.0 1.8 5.09 1011 855 A 27 GLY H A 25 GLN HE21 1.0 1.8 5.82 1012 856 A 27 GLY H A 25 GLN HGx 1.0 1.8 5.62 1013 856 A 25 GLN HGy A 27 GLY H 1.0 1.8 5.62 1014 857 A 77 GLU HA A 75 GLN H 1.0 1.8 5.45 1015 858 A 50 ARG H A 50 ARG HDy 1.0 1.8 4.93 1016 859 A 50 ARG H A 50 ARG HDx 1.0 1.8 4.93 1017 860 A 55 MET HE% A 48 CYS H 1.0 1.8 5.12 1018 861 A 83 THR H A 21 LYS HDx 1.0 1.8 5.83 1019 861 A 21 LYS HDy A 83 THR H 1.0 1.8 5.83 1020 862 A 53 LEU HDx% A 54 SER H 1.0 1.8 3.39 1021 863 A 30 VAL H A 29 VAL HGx% 1.0 1.8 3.66 1022 864 A 90 GLN H A 89 GLN HA 1.0 1.8 2.96 1023 865 A 20 LEU H A 32 PHE HB3 1.0 1.8 5.93 1024 866 A 67 ILE HD1% A 60 PHE H 1.0 1.8 4.75 1025 867 A 18 ILE H A 17 HIS HB3 1.0 1.8 3.83 1026 868 A 29 VAL HGx% A 31 GLN HE22 1.0 1.8 4.88 1027 869 A 71 ASP H A 68 ASN HD21 1.0 1.8 4.97 1028 870 A 72 THR H A 68 ASN HD21 1.0 1.8 5.91 1029 871 A 70 THR H A 68 ASN HD21 1.0 1.8 4.58 1030 872 A 72 THR H A 68 ASN HD22 1.0 1.8 5.91 1031 873 A 73 PRO HB2 A 36 ARG HE 1.0 1.8 5.86 1032 874 A 84 ILE HD1% A 63 ASP H 1.0 1.8 6.00 1033 875 A 40 LEU HB3 A 70 THR H 1.0 1.8 6.00 1034 876 A 84 ILE H A 62 PHE HD% 1.0 1.8 5.53 1035 877 A 76 LEU H A 76 LEU HB3 1.0 1.8 3.50 1036 878 A 34 ILE HD1% A 38 THR H 1.0 1.8 5.05 1037 879 A 75 GLN H A 75 GLN HB2 1.0 1.8 3.21 1038 880 A 82 ASP H A 83 THR H 1.0 1.8 4.57 1039 881 A 4 GLU H A 3 ASP HA 1.0 1.8 3.12 1040 882 A 3 ASP H A 2 ALA HA 1.0 1.8 2.70 1041 883 A 49 GLU H A 45 LYS HDx 1.0 1.8 3.81 1042 883 A 49 GLU H A 45 LYS HDy 1.0 1.8 3.81 1043 884 A 72 THR HB A 74 ALA H 1.0 1.8 3.01 1044 885 A 76 LEU HDx% A 74 ALA H 1.0 1.8 4.26 1045 886 A 45 LYS H A 55 MET HE% 1.0 1.8 2.94 1046 887 A 35 LYS H A 34 ILE HG12 1.0 1.8 3.45 1047 888 A 18 ILE HG2% A 80 ASP H 1.0 1.8 5.05 1048 889 A 9 GLY H A 8 GLU HA 1.0 1.8 3.24 1049 890 A 6 PRO HB3 A 7 LYS H 1.0 1.8 4.10 1050 891 A 7 LYS H A 6 PRO HA 1.0 1.8 2.79 1051 892 A 11 LYS H A 11 LYS HBx 1.0 1.8 3.36 1052 893 A 29 VAL H A 28 SER HBy 1.0 1.8 3.83 1053 894 A 29 VAL HGy% A 29 VAL H 1.0 1.8 4.22 1054 895 A 24 GLY H A 29 VAL HA 1.0 1.8 3.95 1055 896 A 82 ASP HBx A 21 LYS H 1.0 1.8 4.55 1056 897 A 25 GLN H A 86 VAL HB 1.0 1.8 3.99 1057 898 A 17 HIS HA A 18 ILE H 1.0 1.8 3.21 1058 899 A 40 LEU H A 41 SER HA 1.0 1.8 5.32 1059 900 A 33 LYS H A 33 LYS HG3 1.0 1.8 4.24 1060 901 A 23 ALA HB% A 23 ALA H 1.0 1.8 3.08 1061 902 A 17 HIS HD2 A 33 LYS HDx 1.0 1.8 4.39 1062 902 A 33 LYS HDy A 17 HIS HD2 1.0 1.8 4.39 1063 903 A 87 PHE H A 59 ARG HB3 1.0 1.8 4.68 1064 904 A 70 THR H A 44 MET HE% 1.0 1.8 4.90 1065 905 A 47 TYR HD% A 51 GLN HGx 1.0 1.8 4.91 1066 905 A 47 TYR HD% A 51 GLN HGy 1.0 1.8 4.91 1067 906 A 60 PHE HD% A 44 MET HE% 1.0 1.8 3.23 1068 907 A 87 PHE H A 86 VAL HB 1.0 1.8 4.32 1069 908 A 47 TYR H A 45 LYS HBx 1.0 1.8 5.23 1070 908 A 45 LYS HBy A 47 TYR H 1.0 1.8 5.23 1071 909 A 58 ILE HB A 87 PHE H 1.0 1.8 4.61 1072 910 A 61 ARG HG3 A 85 ASP H 1.0 1.8 3.86 1073 911 A 89 GLN H A 88 GLN HB2 1.0 1.8 4.29 1074 912 A 74 ALA H A 75 GLN HB3 1.0 1.8 5.12 1075 913 A 78 MET HG3 A 78 MET H 1.0 1.8 3.46 1076 914 A 78 MET HE% A 78 MET H 1.0 1.8 3.85 1077 915 A 4 GLU H A 4 GLU HGx 1.0 1.8 4.38 1078 915 A 4 GLU H A 4 GLU HGy 1.0 1.8 4.38 1079 916 A 40 LEU H A 40 LEU HG 1.0 1.8 3.67 1080 917 A 50 ARG HB3 A 51 GLN H 1.0 1.8 3.89 1081 918 A 51 GLN HB3 A 51 GLN H 1.0 1.8 4.13 1082 919 A 32 PHE HE% A 22 VAL HB 1.0 1.8 3.77 1083 920 A 87 PHE H A 59 ARG HB2 1.0 1.8 4.32 1084 921 A 75 GLN H A 75 GLN HGx 1.0 1.8 4.09 1085 921 A 75 GLN HGy A 75 GLN H 1.0 1.8 4.09 1086 922 A 86 VAL H A 23 ALA HB% 1.0 1.8 3.66 1087 923 A 21 LYS HB3 A 30 VAL H 1.0 1.8 4.62 1088 924 A 51 GLN H A 50 ARG HGx 1.0 1.8 4.14 1089 924 A 50 ARG HGy A 51 GLN H 1.0 1.8 4.14 1090 925 A 21 LYS HB2 A 21 LYS H 1.0 1.8 3.19 1091 926 A 44 MET H A 43 LEU HB2 1.0 1.8 4.09 1092 927 A 31 GLN HG2 A 31 GLN HE22 1.0 1.8 3.86 1093 928 A 57 GLN H A 57 GLN HG2 1.0 1.8 3.91 1094 929 A 35 LYS H A 35 LYS HB3 1.0 1.8 3.72 1095 930 A 74 ALA H A 73 PRO HG2 1.0 1.8 3.66 1096 931 A 65 GLN H A 65 GLN HGy 1.0 1.8 3.96 1097 932 A 36 ARG HG2 A 36 ARG HE 1.0 1.8 3.96 1098 933 A 49 GLU H A 49 GLU HB3 1.0 1.8 3.77 1099 934 A 62 PHE HD% A 76 LEU HG 1.0 1.8 3.49 1100 935 A 21 LYS H A 21 LYS HG3 1.0 1.8 4.09 1101 936 A 25 GLN HB2 A 25 GLN HE21 1.0 1.8 4.68 1102 937 A 59 ARG HG3 A 87 PHE HD% 1.0 1.8 4.81 1103 938 A 67 ILE H A 44 MET HE% 1.0 1.8 4.35 1104 939 A 59 ARG H A 59 ARG HG3 1.0 1.8 4.93 1105 940 A 65 GLN H A 61 ARG HB2 1.0 1.8 4.41 1106 941 A 5 LYS H A 4 GLU HGx 1.0 1.8 4.76 1107 941 A 4 GLU HGy A 5 LYS H 1.0 1.8 4.76 1108 942 A 25 GLN HB2 A 26 ASP H 1.0 1.8 5.15 1109 943 A 38 THR H A 35 LYS HB2 1.0 1.8 4.50 1110 944 A 21 LYS HG2 A 32 PHE H 1.0 1.8 4.37 1111 945 A 70 THR HG2% A 69 GLU H 1.0 1.8 4.66 1112 946 A 91 THR H A 90 GLN HBx 1.0 1.8 4.30 1113 946 A 90 GLN HBy A 91 THR H 1.0 1.8 4.30 1114 947 A 67 ILE H A 61 ARG HB3 1.0 1.8 5.02 1115 948 A 64 GLY H A 63 ASP HB3 1.0 1.8 4.44 1116 949 A 61 ARG HG3 A 87 PHE HD% 1.0 1.8 4.47 1117 950 A 36 ARG HE A 73 PRO HG2 1.0 1.8 4.76 1118 951 A 76 LEU HB2 A 62 PHE HE% 1.0 1.8 5.46 1119 952 A 31 GLN H A 21 LYS HG2 1.0 1.8 4.92 1120 953 A 59 ARG H A 58 ILE HG12 1.0 1.8 5.35 1121 954 A 52 GLY H A 50 ARG HGx 1.0 1.8 5.43 1122 954 A 50 ARG HGy A 52 GLY H 1.0 1.8 5.43 1123 955 A 77 GLU H A 76 LEU HB3 1.0 1.8 4.61 1124 956 A 59 ARG HB3 A 87 PHE HD% 1.0 1.8 4.79 1125 957 A 37 HIS H A 73 PRO HG2 1.0 1.8 5.00 1126 958 A 45 LYS HG3 A 46 ALA H 1.0 1.8 5.05 1127 959 A 32 PHE HE% A 43 LEU HB2 1.0 1.8 5.45 1128 960 A 18 ILE HB A 19 ASN HD21 1.0 1.8 4.96 1129 961 A 90 GLN H A 89 GLN HGx 1.0 1.8 5.03 1130 961 A 89 GLN HGy A 90 GLN H 1.0 1.8 5.03 1131 962 A 45 LYS HG3 A 48 CYS H 1.0 1.8 5.59 1132 963 A 58 ILE H A 56 ARG HBy 1.0 1.8 5.62 1133 964 A 31 GLN HE22 A 31 GLN HB2 1.0 1.8 4.81 1134 965 A 62 PHE HD% A 63 ASP H 1.0 1.8 3.56 1135 966 A 79 GLU H A 62 PHE HZ 1.0 1.8 3.97 1136 967 A 24 GLY H A 23 ALA H 1.0 1.8 4.41 1137 968 A 61 ARG HD3 A 61 ARG H 1.0 1.8 5.08 1138 969 A 84 ILE H A 83 THR HG2% 1.0 1.8 3.30 1139 970 A 83 THR HG2% A 23 ALA H 1.0 1.8 3.50 1140 971 A 22 VAL H A 30 VAL HGy% 1.0 1.8 4.91 1141 972 A 83 THR HG2% A 22 VAL H 1.0 1.8 4.61 1142 973 A 84 ILE HG2% A 85 ASP H 1.0 1.8 3.43 1143 974 A 29 VAL HGy% A 22 VAL H 1.0 1.8 4.22 1144 975 A 40 LEU H A 72 THR HG2% 1.0 1.8 3.64 1145 976 A 22 VAL HGy% A 23 ALA H 1.0 1.8 4.11 1146 977 A 47 TYR H A 43 LEU HG 1.0 1.8 5.07 1147 978 A 35 LYS H A 34 ILE HG2% 1.0 1.8 3.83 1148 979 A 58 ILE HD1% A 87 PHE H 1.0 1.8 5.10 1149 980 A 22 VAL HGy% A 21 LYS H 1.0 1.8 4.29 1150 981 A 47 TYR HE% A 53 LEU HDy% 1.0 1.8 3.78 1151 982 A 76 LEU HDy% A 77 GLU H 1.0 1.8 4.11 1152 983 A 32 PHE HD% A 43 LEU HG 1.0 1.8 4.00 1153 984 A 47 TYR HD% A 53 LEU HDx% 1.0 1.8 3.64 1154 985 A 30 VAL H A 30 VAL HGx% 1.0 1.8 3.97 1155 986 A 58 ILE HD1% A 59 ARG H 1.0 1.8 3.97 1156 987 A 18 ILE HG2% A 36 ARG HE 1.0 1.8 4.16 1157 988 A 58 ILE HD1% A 58 ILE H 1.0 1.8 4.60 1158 989 A 32 PHE HE% A 34 ILE HG2% 1.0 1.8 3.28 1159 990 A 29 VAL HGy% A 30 VAL H 1.0 1.8 3.05 1160 991 A 29 VAL H A 29 VAL HGx% 1.0 1.8 2.94 1161 992 A 58 ILE HD1% A 60 PHE HZ 1.0 1.8 3.62 1162 993 A 32 PHE HE% A 43 LEU HG 1.0 1.8 4.23 1163 994 A 20 LEU H A 20 LEU HDy% 1.0 1.8 4.71 1164 995 A 62 PHE HD% A 84 ILE HG12 1.0 1.8 3.84 1165 996 A 34 ILE HG2% A 18 ILE H 1.0 1.8 3.97 1166 997 A 47 TYR HE% A 22 VAL HGy% 1.0 1.8 4.99 1167 998 A 22 VAL H A 30 VAL HGx% 1.0 1.8 4.91 1168 999 A 62 PHE HD% A 67 ILE HG2% 1.0 1.8 4.42 1169 1000 A 40 LEU H A 34 ILE HD1% 1.0 1.8 4.68 1170 1001 A 53 LEU HDy% A 51 GLN H 1.0 1.8 4.99 1171 1002 A 76 LEU HDx% A 78 MET H 1.0 1.8 5.35 1172 1003 A 76 LEU HDx% A 77 GLU H 1.0 1.8 4.35 1173 1004 A 58 ILE HD1% A 53 LEU H 1.0 1.8 6.00 1174 1005 A 76 LEU HDx% A 75 GLN H 1.0 1.8 4.62 1175 1006 A 12 THR H A 10 VAL HGx% 1.0 1.8 4.22 1176 1006 A 12 THR H A 10 VAL HGy% 1.0 1.8 4.22 1177 1007 A 76 LEU HDy% A 74 ALA H 1.0 1.8 4.70 1178 1008 A 38 THR H A 35 LYS HG3 1.0 1.8 5.04 1179 1009 A 53 LEU HDx% A 60 PHE HZ 1.0 1.8 4.76 1180 1010 A 76 LEU HDy% A 78 MET H 1.0 1.8 4.66 1181 1011 A 79 GLU H A 80 ASP H 1.0 1.8 4.61 1182 1012 A 79 GLU H A 79 GLU HGy 1.0 1.8 4.81 1183 1013 A 40 LEU H A 39 PRO HG2 1.0 1.8 4.84 1184 1014 A 22 VAL HB A 23 ALA H 1.0 1.8 4.64 1185 1015 A 21 LYS HB2 A 22 VAL H 1.0 1.8 4.32 1186 1016 A 69 GLU H A 69 GLU HB2 1.0 1.8 3.74 1187 1017 A 19 ASN H A 81 GLU HG3 1.0 1.8 4.37 1188 1018 A 55 MET HE% A 55 MET H 1.0 1.8 4.75 1189 1019 A 86 VAL HGx% A 23 ALA H 1.0 1.8 6.00 1190 1020 A 47 TYR HE% A 22 VAL H 1.0 1.8 5.78 1191 1021 A 47 TYR HE% A 23 ALA H 1.0 1.8 5.74 1192 1022 A 86 VAL H A 23 ALA H 1.0 1.8 4.36 1193 1023 A 47 TYR H A 60 PHE HZ 1.0 1.8 4.60 1194 1024 A 85 ASP HA A 23 ALA H 1.0 1.8 4.50 1195 1025 A 83 THR HA A 23 ALA H 1.0 1.8 5.30 1196 1026 A 83 THR HA A 22 VAL H 1.0 1.8 5.34 1197 1027 A 55 MET H A 54 SER H 1.0 1.8 4.66 1198 1028 A 69 GLU H A 68 ASN HD22 1.0 1.8 5.77 1199 1029 A 68 ASN H A 68 ASN HD22 1.0 1.8 4.07 1200 1030 A 60 PHE HD% A 60 PHE H 1.0 1.8 3.31 1201 1031 A 68 ASN H A 68 ASN HD21 1.0 1.8 4.35 1202 1032 A 69 GLU H A 68 ASN HD21 1.0 1.8 4.75 1203 1033 A 68 ASN HB3 A 69 GLU H 1.0 1.8 4.39 1204 1034 A 60 PHE HB2 A 60 PHE H 1.0 1.8 3.79 1205 1035 A 62 PHE H A 62 PHE HB2 1.0 1.8 4.06 1206 1036 A 19 ASN H A 80 ASP HBx 1.0 1.8 4.24 1207 1036 A 19 ASN H A 80 ASP HBy 1.0 1.8 4.24 1208 1037 A 85 ASP H A 85 ASP HBx 1.0 1.8 3.32 1209 1037 A 85 ASP HBy A 85 ASP H 1.0 1.8 3.32 1210 1038 A 84 ILE H A 22 VAL H 1.0 1.8 5.54 1211 1039 A 40 LEU H A 44 MET H 1.0 1.8 6.00 1212 1040 A 34 ILE H A 17 HIS HD2 1.0 1.8 4.04 1213 1041 A 18 ILE H A 17 HIS HD2 1.0 1.8 4.13 1214 1042 A 19 ASN H A 19 ASN HD21 1.0 1.8 4.25 1215 1043 A 86 VAL HGx% A 25 GLN H 1.0 1.8 4.18 1216 1044 A 40 LEU H A 41 SER H 1.0 1.8 3.78 1217 1045 A 19 ASN H A 19 ASN HD22 1.0 1.8 4.07 1218 1046 A 54 SER HB3 A 55 MET H 1.0 1.8 3.93 1219 1047 A 19 ASN H A 81 GLU HA 1.0 1.8 4.42 1220 1048 A 43 LEU HDx% A 40 LEU H 1.0 1.8 5.77 1221 1049 A 59 ARG HD3 A 60 PHE H 1.0 1.8 4.50 1222 1050 A 45 LYS H A 47 TYR H 1.0 1.8 5.10 1223 1051 A 57 GLN H A 55 MET H 1.0 1.8 4.09 1224 1052 A 62 PHE H A 63 ASP HA 1.0 1.8 5.91 1225 1053 A 45 LYS HA A 47 TYR H 1.0 1.8 5.05 1226 1054 A 87 PHE H A 87 PHE HE% 1.0 1.8 4.15 1227 1055 A 59 ARG H A 87 PHE HE% 1.0 1.8 4.85 1228 1056 A 32 PHE HD% A 33 LYS H 1.0 1.8 4.70 1229 1057 A 59 ARG H A 87 PHE HD% 1.0 1.8 4.29 1230 1058 A 47 TYR HD% A 30 VAL H 1.0 1.8 4.59 1231 1059 A 47 TYR HD% A 49 GLU H 1.0 1.8 5.16 1232 1060 A 87 PHE H A 60 PHE HD% 1.0 1.8 5.56 1233 1061 A 60 PHE HE% A 47 TYR H 1.0 1.8 4.63 1234 1062 A 87 PHE H A 87 PHE HD% 1.0 1.8 3.18 1235 1063 A 24 GLY H A 25 GLN HA 1.0 1.8 5.85 1236 1064 A 24 GLY H A 27 GLY H 1.0 1.8 4.57 1237 1065 A 62 PHE HD% A 64 GLY H 1.0 1.8 5.23 1238 1066 A 32 PHE HE% A 21 LYS H 1.0 1.8 4.68 1239 1067 A 70 THR H A 68 ASN HD22 1.0 1.8 4.78 1240 1068 A 15 ASN H A 14 ASN HBy 1.0 1.8 4.09 1241 1069 A 61 ARG HD3 A 64 GLY H 1.0 1.8 4.88 1242 1070 A 12 THR H A 11 LYS HEx 1.0 1.8 4.99 1243 1070 A 12 THR H A 11 LYS HEy 1.0 1.8 4.99 1244 1071 A 45 LYS H A 45 LYS HEx 1.0 1.8 5.34 1245 1071 A 45 LYS H A 45 LYS HEy 1.0 1.8 5.34 1246 1072 A 59 ARG H A 59 ARG HD2 1.0 1.8 5.01 1247 1073 A 17 HIS H A 16 ASP HBx 1.0 1.8 3.93 1248 1073 A 17 HIS H A 16 ASP HBy 1.0 1.8 3.93 1249 1074 A 82 ASP HBx A 83 THR H 1.0 1.8 3.27 1250 1075 A 49 GLU H A 48 CYS HBy 1.0 1.8 4.47 1251 1076 A 35 LYS H A 17 HIS HB2 1.0 1.8 3.91 1252 1077 A 47 TYR HB3 A 48 CYS H 1.0 1.8 4.19 1253 1078 A 55 MET HB3 A 56 ARG H 1.0 1.8 4.55 1254 1079 A 21 LYS HE2 A 21 LYS H 1.0 1.8 5.77 1255 1080 A 21 LYS HE2 A 30 VAL H 1.0 1.8 6.00 1256 1081 A 86 VAL H A 87 PHE HB3 1.0 1.8 5.19 1257 1082 A 31 GLN H A 30 VAL HGy% 1.0 1.8 3.90 1258 1083 A 30 VAL H A 30 VAL HGy% 1.0 1.8 3.97 1259 1084 A 72 THR HG2% A 41 SER H 1.0 1.8 5.43 1260 1085 A 13 GLU HA A 15 ASN H 1.0 1.8 6.00 1261 1086 A 24 GLY H A 27 GLY HA2 1.0 1.8 6.00 1262 1087 A 4 GLU HA A 5 LYS H 1.0 1.8 3.46 1263 1088 A 73 PRO HA A 77 GLU H 1.0 1.8 5.63 1264 1089 A 78 MET HA A 77 GLU H 1.0 1.8 6.00 1265 1090 A 76 LEU H A 77 GLU HA 1.0 1.8 4.24 1266 1091 A 29 VAL H A 28 SER HBx 1.0 1.8 3.83 1267 1092 A 54 SER HB3 A 58 ILE H 1.0 1.8 5.86 1268 1093 A 62 PHE HD% A 83 THR HB 1.0 1.8 6.00 1269 1094 A 45 LYS HA A 48 CYS H 1.0 1.8 3.63 1270 1095 A 57 GLN HE21 A 54 SER HB2 1.0 1.8 4.90 1271 1096 A 88 GLN H A 87 PHE HB2 1.0 1.8 3.42 1272 1097 A 87 PHE H A 85 ASP HBx 1.0 1.8 5.33 1273 1097 A 87 PHE H A 85 ASP HBy 1.0 1.8 5.33 1274 1098 A 30 VAL H A 23 ALA H 1.0 1.8 5.86 1275 1099 A 32 PHE H A 21 LYS H 1.0 1.8 5.34 1276 1100 A 51 GLN HE21 A 30 VAL H 1.0 1.8 6.00 1277 1101 A 47 TYR HE% A 24 GLY H 1.0 1.8 4.17 1278 1102 A 14 ASN H A 15 ASN HD2y 1.0 1.8 5.43 1279 1103 A 57 GLN HG2 A 54 SER H 1.0 1.8 5.41 1280 1104 A 31 GLN H A 31 GLN HE22 1.0 1.8 6.00 1281 1105 A 32 PHE H A 33 LYS H 1.0 1.8 4.66 1282 1106 A 31 GLN H A 29 VAL HGy% 1.0 1.8 5.21 1283 1107 A 60 PHE HE% A 48 CYS H 1.0 1.8 5.02 1284 1108 A 59 ARG H A 60 PHE HE% 1.0 1.8 4.99 1285 1109 A 33 LYS H A 17 HIS HD2 1.0 1.8 5.37 1286 1110 A 44 MET HA A 48 CYS H 1.0 1.8 4.47 1287 1111 A 48 CYS H A 47 TYR HB2 1.0 1.8 4.75 1288 1112 A 92 GLY H A 91 THR H 1.0 1.8 4.59 1289 1113 A 12 THR H A 13 GLU H 1.0 1.8 5.22 1290 1114 A 46 ALA H A 48 CYS H 1.0 1.8 4.40 1291 1115 A 70 THR HA A 41 SER H 1.0 1.8 4.94 1292 1116 A 47 TYR HE% A 48 CYS H 1.0 1.8 5.32 1293 1117 A 5 LYS H A 3 ASP HA 1.0 1.8 5.85 1294 1118 A 35 LYS H A 38 THR HA 1.0 1.8 6.00 1295 1119 A 17 HIS H A 17 HIS HD2 1.0 1.8 4.82 1296 1120 A 38 THR H A 36 ARG H 1.0 1.8 4.70 1297 1121 A 36 ARG HA A 74 ALA H 1.0 1.8 4.12 1298 1122 A 86 VAL H A 87 PHE HD% 1.0 1.8 4.09 1299 1123 A 37 HIS H A 37 HIS HD2 1.0 1.8 5.20 1300 1124 A 35 LYS HG2 A 36 ARG H 1.0 1.8 4.59 1301 1125 A 58 ILE HG13 A 56 ARG H 1.0 1.8 5.44 1302 1126 A 10 VAL H A 11 LYS HA 1.0 1.8 5.61 1303 1127 A 67 ILE HA A 68 ASN HD22 1.0 1.8 5.97 1304 1128 A 2 ALA H A 3 ASP H 1.0 1.8 4.66 1305 1129 A 67 ILE H A 60 PHE H 1.0 1.8 5.26 1306 1130 A 36 ARG H A 36 ARG HE 1.0 1.8 4.47 1307 1131 A 86 VAL H A 24 GLY H 1.0 1.8 5.41 1308 1132 A 61 ARG HD3 A 65 GLN H 1.0 1.8 5.12 1309 1133 A 84 ILE HG2% A 67 ILE H 1.0 1.8 5.17 1310 1134 A 51 GLN H A 50 ARG HDy 1.0 1.8 6.00 1311 1135 A 51 GLN H A 50 ARG HDx 1.0 1.8 6.00 1312 1136 A 17 HIS H A 17 HIS HE1 1.0 1.8 5.38 1313 1137 A 51 GLN H A 30 VAL HGy% 1.0 1.8 5.45 1314 1138 A 84 ILE HG2% A 86 VAL H 1.0 1.8 4.92 1315 1139 A 47 TYR HE% A 51 GLN H 1.0 1.8 5.11 1316 1140 A 75 GLN HA A 77 GLU H 1.0 1.8 4.24 1317 1141 A 74 ALA HB% A 77 GLU H 1.0 1.8 4.31 1318 1142 A 47 TYR HD% A 48 CYS HBy 1.0 1.8 4.98 1319 1143 A 60 PHE HD% A 59 ARG HD2 1.0 1.8 4.53 1320 1144 A 38 THR H A 36 ARG HD2 1.0 1.8 5.58 1321 1145 A 15 ASN H A 14 ASN HD2y 1.0 1.8 5.48 1322 1146 A 74 ALA HB% A 36 ARG HE 1.0 1.8 4.83 1323 1147 A 78 MET HA A 62 PHE HE% 1.0 1.8 4.09 1324 1148 A 76 LEU H A 73 PRO HA 1.0 1.8 4.18 1325 1149 A 47 TYR HB3 A 46 ALA H 1.0 1.8 4.92 1326 1150 A 48 CYS H A 60 PHE HZ 1.0 1.8 4.14 1327 1151 A 40 LEU H A 72 THR H 1.0 1.8 5.01 1328 1152 A 20 LEU HB3 A 32 PHE HZ 1.0 1.8 3.57 1329 1153 A 21 LYS HG2 A 31 GLN HE22 1.0 1.8 4.72 1330 1154 A 78 MET HB3 A 62 PHE HE% 1.0 1.8 3.90 1331 1155 A 38 THR H A 36 ARG HB2 1.0 1.8 5.02 1332 1156 A 58 ILE HG13 A 58 ILE H 1.0 1.8 3.23 1333 1157 A 58 ILE HG2% A 58 ILE H 1.0 1.8 3.42 1334 1158 A 38 THR H A 72 THR HB 1.0 1.8 5.50 1335 1159 A 84 ILE HA A 62 PHE HD% 1.0 1.8 4.95 1336 1160 A 74 ALA H A 36 ARG HE 1.0 1.8 5.15 1337 1161 A 44 MET H A 60 PHE HZ 1.0 1.8 5.81 1338 1162 A 45 LYS H A 60 PHE HZ 1.0 1.8 5.94 1339 1163 A 62 PHE HA A 61 ARG HE 1.0 1.8 6.00 1340 1164 A 85 ASP HA A 61 ARG HE 1.0 1.8 6.00 1341 1165 A 60 PHE HA A 87 PHE HZ 1.0 1.8 6.00 1342 1166 A 58 ILE HG13 A 60 PHE HZ 1.0 1.8 4.86 1343 1167 A 14 ASN H A 15 ASN HD2x 1.0 1.8 5.43 1344 1168 A 31 GLN H A 31 GLN HE21 1.0 1.8 5.77 1345 1169 A 32 PHE HE% A 31 GLN H 1.0 1.8 6.00 1346 1170 A 32 PHE HE% A 33 LYS H 1.0 1.8 6.00 1347 1171 A 31 GLN H A 32 PHE HD% 1.0 1.8 5.03 1348 1172 A 47 TYR HE% A 60 PHE HZ 1.0 1.8 4.22 1349 1173 A 32 PHE HE% A 21 LYS HB2 1.0 1.8 4.84 1350 1174 A 32 PHE HE% A 31 GLN HA 1.0 1.8 5.51 1351 1175 A 61 ARG HA A 87 PHE HZ 1.0 1.8 6.00 1352 1176 A 25 GLN H A 25 GLN HE22 1.0 1.8 5.11 1353 1177 A 60 PHE HE% A 58 ILE H 1.0 1.8 5.54 1354 1178 A 61 ARG HD3 A 87 PHE HE% 1.0 1.8 4.40 1355 1179 A 68 ASN HB2 A 68 ASN HD21 1.0 1.8 3.45 1356 1180 A 47 TYR HD% A 47 TYR H 1.0 1.8 4.13 1357 1181 A 47 TYR HD% A 48 CYS H 1.0 1.8 3.62 1358 1182 A 47 TYR HD% A 45 LYS HA 1.0 1.8 6.00 1359 1183 A 47 TYR HD% A 48 CYS HA 1.0 1.8 3.78 1360 1184 A 47 TYR HD% A 30 VAL HB 1.0 1.8 3.42 1361 1185 A 47 TYR HD% A 22 VAL HB 1.0 1.8 3.66 1362 1186 A 43 LEU HDx% A 32 PHE HD% 1.0 1.8 5.36 1363 1187 A 43 LEU HDx% A 60 PHE HD% 1.0 1.8 5.86 1364 1188 A 84 ILE HA A 60 PHE HD% 1.0 1.8 5.71 1365 1189 A 58 ILE HG13 A 60 PHE HD% 1.0 1.8 4.31 1366 1190 A 84 ILE HD1% A 60 PHE HD% 1.0 1.8 4.67 1367 1191 A 54 SER HB3 A 57 GLN HE22 1.0 1.8 5.74 1368 1192 A 57 GLN HE22 A 56 ARG HGx 1.0 1.8 4.86 1369 1192 A 56 ARG HGy A 57 GLN HE22 1.0 1.8 4.86 1370 1193 A 43 LEU H A 41 SER H 1.0 1.8 4.84 1371 1194 A 47 TYR HE% A 47 TYR HA 1.0 1.8 4.93 1372 1195 A 45 LYS HA A 60 PHE HE% 1.0 1.8 6.00 1373 1196 A 19 ASN HD21 A 80 ASP HBx 1.0 1.8 4.98 1374 1196 A 80 ASP HBy A 19 ASN HD21 1.0 1.8 4.98 1375 1197 A 43 LEU HG A 43 LEU H 1.0 1.8 5.05 1376 1198 A 60 PHE HE% A 43 LEU HG 1.0 1.8 5.59 1377 1199 A 58 ILE HG2% A 60 PHE HE% 1.0 1.8 5.78 1378 1200 A 22 VAL HGy% A 60 PHE HE% 1.0 1.8 4.29 1379 1201 A 51 GLN H A 51 GLN HE22 1.0 1.8 5.13 1380 1202 A 69 GLU HA A 43 LEU H 1.0 1.8 5.89 1381 1203 A 58 ILE HG12 A 60 PHE HE% 1.0 1.8 4.68 1382 1204 A 50 ARG H A 51 GLN HE22 1.0 1.8 5.29 1383 1205 A 47 TYR HE% A 22 VAL HB 1.0 1.8 4.13 1384 1206 A 47 TYR HE% A 29 VAL HGy% 1.0 1.8 5.21 1385 1207 A 47 TYR HE% A 30 VAL HA 1.0 1.8 6.00 1386 1208 A 47 TYR HE% A 58 ILE HG2% 1.0 1.8 4.21 1387 1209 A 33 LYS HG3 A 17 HIS HD2 1.0 1.8 4.82 1388 1210 A 35 LYS HG2 A 17 HIS HD2 1.0 1.8 4.26 1389 1211 A 19 ASN HA A 18 ILE H 1.0 1.8 5.54 1390 1212 A 32 PHE H A 19 ASN HA 1.0 1.8 5.94 1391 1213 A 25 GLN H A 24 GLY HA2 1.0 1.8 3.33 1392 1214 A 33 LYS HA A 20 LEU H 1.0 1.8 3.82 1393 1215 A 19 ASN HA A 34 ILE H 1.0 1.8 4.00 1394 1216 A 33 LYS HA A 32 PHE H 1.0 1.8 4.91 1395 1217 A 60 PHE HB3 A 61 ARG HA 1.0 1.8 4.91 1396 1218 A 61 ARG HD3 A 61 ARG HA 1.0 1.8 4.61 1397 1219 A 62 PHE HA A 61 ARG HD2 1.0 1.8 4.04 1398 1220 A 61 ARG HD2 A 61 ARG HA 1.0 1.8 4.44 1399 1221 A 61 ARG HA A 85 ASP HBx 1.0 1.8 5.08 1400 1221 A 85 ASP HBy A 61 ARG HA 1.0 1.8 5.08 1401 1222 A 31 GLN HA A 32 PHE HB3 1.0 1.8 4.94 1402 1223 A 62 PHE HB2 A 61 ARG HA 1.0 1.8 5.27 1403 1224 A 62 PHE HB3 A 61 ARG HA 1.0 1.8 4.73 1404 1225 A 61 ARG HD3 A 62 PHE HA 1.0 1.8 5.16 1405 1226 A 19 ASN HA A 33 LYS HEx 1.0 1.8 5.83 1406 1226 A 33 LYS HEy A 19 ASN HA 1.0 1.8 5.83 1407 1227 A 19 ASN HA A 33 LYS HG3 1.0 1.8 5.42 1408 1228 A 33 LYS HA A 33 LYS HG2 1.0 1.8 3.54 1409 1229 A 33 LYS HA A 33 LYS HG3 1.0 1.8 3.91 1410 1230 A 21 LYS HG2 A 31 GLN HA 1.0 1.8 4.23 1411 1231 A 19 ASN HA A 33 LYS HG2 1.0 1.8 4.32 1412 1232 A 20 LEU HA A 21 LYS HG3 1.0 1.8 4.64 1413 1233 A 19 ASN HA A 33 LYS H 1.0 1.8 5.13 1414 1234 A 60 PHE HA A 87 PHE H 1.0 1.8 4.10 1415 1235 A 36 ARG H A 73 PRO HDx 1.0 1.8 5.50 1416 1235 A 73 PRO HDy A 36 ARG H 1.0 1.8 5.50 1417 1236 A 86 VAL HA A 87 PHE H 1.0 1.8 2.83 1418 1237 A 59 ARG H A 58 ILE HA 1.0 1.8 3.06 1419 1238 A 2 ALA H A 1 MET HA 1.0 1.8 3.19 1420 1239 A 53 LEU H A 49 GLU HA 1.0 1.8 5.39 1421 1240 A 39 PRO HA A 41 SER H 1.0 1.8 3.77 1422 1241 A 41 SER HA A 41 SER H 1.0 1.8 2.93 1423 1242 A 38 THR HB A 35 LYS H 1.0 1.8 3.12 1424 1243 A 5 LYS H A 6 PRO HDy 1.0 1.8 4.58 1425 1244 A 27 GLY HA2 A 28 SER H 1.0 1.8 3.45 1426 1245 A 38 THR HB A 36 ARG H 1.0 1.8 4.62 1427 1246 A 44 MET H A 41 SER HA 1.0 1.8 4.16 1428 1247 A 17 HIS H A 16 ASP HA 1.0 1.8 3.56 1429 1248 A 56 ARG H A 54 SER HB3 1.0 1.8 3.46 1430 1249 A 28 SER H A 28 SER HBx 1.0 1.8 3.62 1431 1250 A 49 GLU H A 46 ALA HA 1.0 1.8 3.99 1432 1251 A 53 LEU H A 48 CYS HA 1.0 1.8 3.79 1433 1252 A 74 ALA H A 73 PRO HDx 1.0 1.8 3.89 1434 1252 A 74 ALA H A 73 PRO HDy 1.0 1.8 3.89 1435 1253 A 75 GLN H A 73 PRO HDx 1.0 1.8 5.32 1436 1253 A 75 GLN H A 73 PRO HDy 1.0 1.8 5.32 1437 1254 A 92 GLY H A 91 THR HA 1.0 1.8 3.25 1438 1255 A 67 ILE HD1% A 62 PHE HA 1.0 1.8 3.76 1439 1256 A 84 ILE HG2% A 84 ILE HA 1.0 1.8 3.39 1440 1257 A 34 ILE HG2% A 19 ASN HA 1.0 1.8 4.59 1441 1258 A 84 ILE HD1% A 83 THR HA 1.0 1.8 4.75 1442 1259 A 84 ILE HD1% A 62 PHE HA 1.0 1.8 5.19 1443 1260 A 76 LEU HDx% A 73 PRO HA 1.0 1.8 3.70 1444 1261 A 34 ILE HG2% A 33 LYS HA 1.0 1.8 3.74 1445 1262 A 30 VAL HA A 30 VAL HGx% 1.0 1.8 3.33 1446 1263 A 20 LEU HA A 20 LEU HDy% 1.0 1.8 3.93 1447 1264 A 29 VAL HGy% A 30 VAL HA 1.0 1.8 4.20 1448 1265 A 72 THR HG2% A 73 PRO HDx 1.0 1.8 3.48 1449 1265 A 72 THR HG2% A 73 PRO HDy 1.0 1.8 3.48 1450 1266 A 20 LEU HA A 20 LEU HDx% 1.0 1.8 3.93 1451 1267 A 67 ILE HD1% A 61 ARG HA 1.0 1.8 4.14 1452 1268 A 67 ILE HG2% A 67 ILE HA 1.0 1.8 3.10 1453 1269 A 76 LEU HDy% A 73 PRO HA 1.0 1.8 3.95 1454 1270 A 53 LEU HDx% A 52 GLY HAx 1.0 1.8 4.85 1455 1270 A 53 LEU HDx% A 52 GLY HAy 1.0 1.8 4.85 1456 1271 A 76 LEU HDy% A 75 GLN HA 1.0 1.8 4.99 1457 1272 A 29 VAL HGy% A 83 THR HB 1.0 1.8 4.57 1458 1273 A 60 PHE HA A 22 VAL HGy% 1.0 1.8 6.00 1459 1274 A 19 ASN HA A 20 LEU HDx% 1.0 1.8 5.70 1460 1275 A 22 VAL HGy% A 47 TYR HA 1.0 1.8 4.96 1461 1276 A 19 ASN HA A 20 LEU HDy% 1.0 1.8 5.70 1462 1277 A 19 ASN HD22 A 19 ASN HA 1.0 1.8 4.80 1463 1278 A 60 PHE HA A 60 PHE HE% 1.0 1.8 4.80 1464 1279 A 19 ASN HA A 19 ASN HD21 1.0 1.8 4.79 1465 1280 A 19 ASN HA A 17 HIS HD2 1.0 1.8 4.98 1466 1281 A 81 GLU HA A 19 ASN HA 1.0 1.8 5.20 1467 1282 A 31 GLN HA A 31 GLN HG2 1.0 1.8 3.87 1468 1283 A 18 ILE HD1% A 19 ASN HA 1.0 1.8 5.41 1469 1284 A 65 GLN H A 62 PHE HA 1.0 1.8 4.67 1470 1285 A 60 PHE HA A 67 ILE H 1.0 1.8 5.35 1471 1286 A 62 PHE HD% A 62 PHE HA 1.0 1.8 3.09 1472 1287 A 31 GLN HG3 A 31 GLN HA 1.0 1.8 3.84 1473 1288 A 60 PHE HA A 87 PHE HE% 1.0 1.8 4.30 1474 1289 A 60 PHE HA A 60 PHE HD% 1.0 1.8 3.39 1475 1290 A 60 PHE HA A 60 PHE HZ 1.0 1.8 5.95 1476 1291 A 72 THR HG2% A 72 THR HA 1.0 1.8 3.19 1477 1292 A 83 THR HG2% A 83 THR HA 1.0 1.8 3.14 1478 1293 A 64 GLY H A 61 ARG HA 1.0 1.8 6.00 1479 1294 A 67 ILE HA A 61 ARG HA 1.0 1.8 5.54 1480 1295 A 61 ARG HA A 66 PRO HB2 1.0 1.8 4.85 1481 1296 A 31 GLN HA A 31 GLN HE22 1.0 1.8 5.44 1482 1297 A 21 LYS HB2 A 83 THR HA 1.0 1.8 3.91 1483 1298 A 65 GLN HA A 65 GLN HGy 1.0 1.8 3.98 1484 1299 A 58 ILE HA A 25 GLN HGx 1.0 1.8 5.93 1485 1299 A 58 ILE HA A 25 GLN HGy 1.0 1.8 5.93 1486 1300 A 78 MET HA A 62 PHE HZ 1.0 1.8 3.39 1487 1301 A 55 MET HA A 58 ILE H 1.0 1.8 4.27 1488 1302 A 20 LEU H A 21 LYS HA 1.0 1.8 5.25 1489 1303 A 62 PHE H A 65 GLN HA 1.0 1.8 4.97 1490 1304 A 18 ILE HG2% A 18 ILE HA 1.0 1.8 3.23 1491 1305 A 73 PRO HA A 40 LEU HDx% 1.0 1.8 4.51 1492 1306 A 38 THR H A 73 PRO HDx 1.0 1.8 3.72 1493 1306 A 38 THR H A 73 PRO HDy 1.0 1.8 3.72 1494 1307 A 72 THR HB A 72 THR H 1.0 1.8 3.89 1495 1308 A 86 VAL HGy% A 24 GLY HA2 1.0 1.8 4.87 1496 1309 A 23 ALA HA A 24 GLY HA2 1.0 1.8 5.02 1497 1310 A 35 LYS HA A 18 ILE H 1.0 1.8 4.36 1498 1311 A 70 THR H A 70 THR HB 1.0 1.8 4.03 1499 1312 A 57 GLN HA A 57 GLN HE21 1.0 1.8 4.50 1500 1313 A 1 MET HA A 1 MET HGx 1.0 1.8 4.19 1501 1314 A 54 SER HB3 A 56 ARG HE 1.0 1.8 5.56 1502 1315 A 51 GLN HA A 51 GLN HE22 1.0 1.8 4.15 1503 1316 A 30 VAL HA A 30 VAL HGy% 1.0 1.8 3.33 1504 1317 A 34 ILE HD1% A 39 PRO HA 1.0 1.8 5.04 1505 1318 A 34 ILE HD1% A 73 PRO HA 1.0 1.8 5.61 1506 1319 A 58 ILE HD1% A 55 MET HA 1.0 1.8 4.10 1507 1320 A 63 ASP HA A 64 GLY HA2 1.0 1.8 4.88 1508 1321 A 63 ASP HA A 64 GLY H 1.0 1.8 3.39 1509 1322 A 47 TYR HD% A 47 TYR HA 1.0 1.8 3.08 1510 1323 A 70 THR HA A 68 ASN HD21 1.0 1.8 4.84 1511 1324 A 61 ARG HD3 A 64 GLY HA3 1.0 1.8 4.98 1512 1325 A 25 GLN HA A 25 GLN HE21 1.0 1.8 5.30 1513 1326 A 57 GLN H A 54 SER HB3 1.0 1.8 4.54 1514 1327 A 27 GLY H A 28 SER HBx 1.0 1.8 5.04 1515 1328 A 65 GLN H A 66 PRO HD2 1.0 1.8 5.45 1516 1329 A 25 GLN HA A 27 GLY H 1.0 1.8 3.92 1517 1330 A 49 GLU HA A 52 GLY H 1.0 1.8 4.28 1518 1331 A 51 GLN H A 52 GLY HAx 1.0 1.8 4.44 1519 1331 A 51 GLN H A 52 GLY HAy 1.0 1.8 4.44 1520 1332 A 57 GLN H A 54 SER HB2 1.0 1.8 4.30 1521 1333 A 38 THR HB A 37 HIS H 1.0 1.8 4.39 1522 1334 A 46 ALA HA A 47 TYR HA 1.0 1.8 4.93 1523 1335 A 60 PHE HE% A 47 TYR HA 1.0 1.8 5.55 1524 1336 A 47 TYR HA A 51 GLN HE22 1.0 1.8 5.28 1525 1337 A 50 ARG HA A 51 GLN HE22 1.0 1.8 5.78 1526 1338 A 39 PRO HA A 73 PRO HDx 1.0 1.8 4.57 1527 1338 A 39 PRO HA A 73 PRO HDy 1.0 1.8 4.57 1528 1339 A 8 GLU HA A 9 GLY HAx 1.0 1.8 4.94 1529 1339 A 9 GLY HAy A 8 GLU HA 1.0 1.8 4.94 1530 1340 A 51 GLN HA A 52 GLY HAx 1.0 1.8 5.40 1531 1340 A 51 GLN HA A 52 GLY HAy 1.0 1.8 5.40 1532 1341 A 72 THR HB A 73 PRO HDx 1.0 1.8 4.38 1533 1341 A 72 THR HB A 73 PRO HDy 1.0 1.8 4.38 1534 1342 A 62 PHE HB3 A 63 ASP HA 1.0 1.8 5.75 1535 1343 A 45 LYS HA A 55 MET HGx 1.0 1.8 4.85 1536 1343 A 45 LYS HA A 55 MET HGy 1.0 1.8 4.85 1537 1344 A 54 SER HB3 A 55 MET HGx 1.0 1.8 4.75 1538 1344 A 55 MET HGy A 54 SER HB3 1.0 1.8 4.75 1539 1345 A 34 ILE HD1% A 73 PRO HDx 1.0 1.8 4.35 1540 1345 A 34 ILE HD1% A 73 PRO HDy 1.0 1.8 4.35 1541 1346 A 34 ILE HD1% A 39 PRO HD2 1.0 1.8 5.10 1542 1347 A 40 LEU HA A 40 LEU HDx% 1.0 1.8 4.08 1543 1348 A 40 LEU HA A 43 LEU HG 1.0 1.8 5.83 1544 1349 A 58 ILE HG2% A 48 CYS HA 1.0 1.8 6.00 1545 1350 A 73 PRO HDy A 40 LEU HDy% 1.0 1.8 4.54 1546 1350 A 40 LEU HDy% A 73 PRO HDx 1.0 1.8 4.54 1547 1351 A 73 PRO HDy A 40 LEU HDx% 1.0 1.8 4.54 1548 1351 A 40 LEU HDx% A 73 PRO HDx 1.0 1.8 4.54 1549 1352 A 84 ILE HD1% A 83 THR HB 1.0 1.8 4.53 1550 1353 A 40 LEU H A 73 PRO HDx 1.0 1.8 4.58 1551 1353 A 40 LEU H A 73 PRO HDy 1.0 1.8 4.58 1552 1354 A 38 THR HB A 39 PRO HD3 1.0 1.8 5.16 1553 1355 A 48 CYS HA A 60 PHE HZ 1.0 1.8 5.23 1554 1356 A 47 TYR HE% A 24 GLY HA3 1.0 1.8 4.46 1555 1357 A 68 ASN HB2 A 69 GLU HA 1.0 1.8 5.22 1556 1358 A 38 THR H A 36 ARG HA 1.0 1.8 4.58 1557 1359 A 36 ARG HA A 36 ARG HE 1.0 1.8 5.00 1558 1360 A 43 LEU HA A 32 PHE HZ 1.0 1.8 5.07 1559 1361 A 43 LEU HA A 32 PHE HD% 1.0 1.8 4.42 1560 1362 A 50 ARG HA A 50 ARG HDy 1.0 1.8 3.81 1561 1363 A 17 HIS HB2 A 17 HIS H 1.0 1.8 3.86 1562 1364 A 4 GLU H A 3 ASP HBx 1.0 1.8 4.60 1563 1365 A 91 THR H A 91 THR HG2% 1.0 1.8 4.45 1564 1366 A 35 LYS HG2 A 17 HIS H 1.0 1.8 5.89 1565 1367 A 26 ASP H A 26 ASP HB2 1.0 1.8 3.39 1566 1368 A 7 LYS H A 7 LYS HDx 1.0 1.8 4.99 1567 1368 A 7 LYS HDy A 7 LYS H 1.0 1.8 4.99 1568 1369 A 33 LYS H A 32 PHE HB2 1.0 1.8 3.45 1569 1370 A 12 THR HG2% A 13 GLU H 1.0 1.8 3.76 1570 1371 A 92 GLY H A 91 THR HG2% 1.0 1.8 4.28 1571 1372 A 11 LYS H A 10 VAL HGx% 1.0 1.8 3.33 1572 1372 A 11 LYS H A 10 VAL HGy% 1.0 1.8 3.33 1573 1373 A 40 LEU HB2 A 41 SER H 1.0 1.8 3.64 1574 1374 A 36 ARG HB3 A 36 ARG H 1.0 1.8 3.86 1575 1375 A 36 ARG H A 36 ARG HG3 1.0 1.8 4.12 1576 1376 A 13 GLU H A 13 GLU HGx 1.0 1.8 3.48 1577 1376 A 13 GLU HGy A 13 GLU H 1.0 1.8 3.48 1578 1377 A 31 GLN H A 31 GLN HG2 1.0 1.8 3.78 1579 1378 A 12 THR H A 12 THR HG2% 1.0 1.8 3.90 1580 1379 A 58 ILE HB A 59 ARG H 1.0 1.8 3.17 1581 1380 A 7 LYS H A 7 LYS HGx 1.0 1.8 3.73 1582 1380 A 7 LYS HGy A 7 LYS H 1.0 1.8 3.73 1583 1381 A 53 LEU HB3 A 54 SER H 1.0 1.8 4.21 1584 1382 A 35 LYS HB3 A 36 ARG H 1.0 1.8 3.74 1585 1383 A 2 ALA HB% A 3 ASP H 1.0 1.8 3.59 1586 1384 A 12 THR H A 11 LYS HGx 1.0 1.8 3.98 1587 1384 A 12 THR H A 11 LYS HGy 1.0 1.8 3.98 1588 1385 A 17 HIS H A 17 HIS HB3 1.0 1.8 3.68 1589 1386 A 5 LYS H A 5 LYS HBx 1.0 1.8 3.40 1590 1386 A 5 LYS HBy A 5 LYS H 1.0 1.8 3.40 1591 1387 A 49 GLU H A 49 GLU HB2 1.0 1.8 3.18 1592 1388 A 31 GLN H A 31 GLN HB2 1.0 1.8 3.22 1593 1389 A 44 MET H A 44 MET HBx 1.0 1.8 3.22 1594 1389 A 44 MET HBy A 44 MET H 1.0 1.8 3.22 1595 1390 A 45 LYS H A 44 MET HBx 1.0 1.8 3.65 1596 1390 A 44 MET HBy A 45 LYS H 1.0 1.8 3.65 1597 1391 A 7 LYS H A 6 PRO HB2 1.0 1.8 3.39 1598 1392 A 8 GLU H A 6 PRO HB3 1.0 1.8 4.21 1599 1393 A 8 GLU H A 6 PRO HB2 1.0 1.8 3.32 1600 1394 A 53 LEU HB2 A 54 SER H 1.0 1.8 3.50 1601 1395 A 33 LYS H A 33 LYS HG2 1.0 1.8 3.93 1602 1396 A 58 ILE HG13 A 59 ARG H 1.0 1.8 4.51 1603 1397 A 4 GLU H A 4 GLU HBy 1.0 1.8 4.01 1604 1398 A 36 ARG H A 73 PRO HG2 1.0 1.8 4.62 1605 1399 A 41 SER H A 69 GLU HB2 1.0 1.8 4.27 1606 1400 A 4 GLU H A 3 ASP HBy 1.0 1.8 4.60 1607 1401 A 35 LYS H A 34 ILE HG13 1.0 1.8 4.03 1608 1402 A 46 ALA HB% A 48 CYS H 1.0 1.8 4.37 1609 1403 A 40 LEU HB3 A 41 SER H 1.0 1.8 4.42 1610 1404 A 58 ILE HG2% A 54 SER H 1.0 1.8 4.98 1611 1405 A 59 ARG H A 59 ARG HD3 1.0 1.8 5.75 1612 1406 A 53 LEU HDx% A 48 CYS H 1.0 1.8 5.03 1613 1407 A 38 THR H A 37 HIS HBy 1.0 1.8 4.61 1614 1408 A 61 ARG HE A 85 ASP HBx 1.0 1.8 2.93 1615 1408 A 85 ASP HBy A 61 ARG HE 1.0 1.8 2.93 1616 1409 A 44 MET HA A 60 PHE HZ 1.0 1.8 3.29 1617 1410 A 87 PHE HD% A 59 ARG HB2 1.0 1.8 3.70 1618 1411 A 87 PHE HD% A 89 GLN HGx 1.0 1.8 4.34 1619 1411 A 89 GLN HGy A 87 PHE HD% 1.0 1.8 4.34 1620 1412 A 86 VAL HGy% A 60 PHE HD% 1.0 1.8 3.36 1621 1413 A 84 ILE HG2% A 60 PHE HD% 1.0 1.8 2.89 1622 1414 A 43 LEU HDy% A 60 PHE HD% 1.0 1.8 3.69 1623 1415 A 60 PHE HD% A 22 VAL HGy% 1.0 1.8 3.16 1624 1416 A 86 VAL HGx% A 47 TYR HD% 1.0 1.8 3.81 1625 1417 A 60 PHE HD% A 44 MET HBx 1.0 1.8 4.62 1626 1417 A 44 MET HBy A 60 PHE HD% 1.0 1.8 4.62 1627 1418 A 22 VAL HGx% A 47 TYR HD% 1.0 1.8 3.58 1628 1419 A 22 VAL HGx% A 60 PHE HD% 1.0 1.8 4.04 1629 1420 A 71 ASP HB2 A 68 ASN HD21 1.0 1.8 3.34 1630 1421 A 61 ARG HG2 A 87 PHE HD% 1.0 1.8 3.85 1631 1422 A 60 PHE HD% A 84 ILE HB 1.0 1.8 3.65 1632 1423 A 21 LYS HE2 A 31 GLN HE21 1.0 1.8 4.59 1633 1424 A 47 TYR HD% A 51 GLN HB2 1.0 1.8 4.69 1634 1425 A 63 ASP HB2 A 65 GLN HE22 1.0 1.8 5.33 1635 1426 A 32 PHE HD% A 31 GLN HG2 1.0 1.8 5.73 1636 1427 A 55 MET HB3 A 60 PHE HE% 1.0 1.8 4.68 1637 1428 A 75 GLN HE2x A 75 GLN HGx 1.0 1.8 3.54 1638 1428 A 75 GLN HGy A 75 GLN HE2x 1.0 1.8 3.54 1639 1429 A 55 MET HE% A 60 PHE HE% 1.0 1.8 4.83 1640 1430 A 60 PHE HE% A 44 MET HG3 1.0 1.8 3.48 1641 1431 A 60 PHE HE% A 44 MET HA 1.0 1.8 3.47 1642 1432 A 60 PHE HE% A 47 TYR HB2 1.0 1.8 3.85 1643 1433 A 43 LEU HDy% A 60 PHE HE% 1.0 1.8 3.37 1644 1434 A 86 VAL HGx% A 60 PHE HE% 1.0 1.8 4.12 1645 1435 A 51 GLN HB2 A 51 GLN HE22 1.0 1.8 4.24 1646 1436 A 53 LEU HB2 A 88 GLN HE21 1.0 1.8 4.58 1647 1437 A 51 GLN HE22 A 51 GLN HGx 1.0 1.8 3.49 1648 1437 A 51 GLN HGy A 51 GLN HE22 1.0 1.8 3.49 1649 1438 A 84 ILE HG2% A 60 PHE HE% 1.0 1.8 3.98 1650 1439 A 60 PHE HE% A 47 TYR HB3 1.0 1.8 4.14 1651 1440 A 86 VAL HGy% A 60 PHE HE% 1.0 1.8 3.31 1652 1441 A 53 LEU HDx% A 88 GLN HE21 1.0 1.8 4.22 1653 1442 A 58 ILE HG13 A 60 PHE HE% 1.0 1.8 3.91 1654 1443 A 60 PHE HE% A 44 MET HBx 1.0 1.8 3.66 1655 1443 A 44 MET HBy A 60 PHE HE% 1.0 1.8 3.66 1656 1444 A 58 ILE HD1% A 60 PHE HE% 1.0 1.8 3.22 1657 1445 A 50 ARG HB3 A 51 GLN HE22 1.0 1.8 3.92 1658 1446 A 72 THR HG2% A 75 GLN HE2x 1.0 1.8 4.62 1659 1447 A 51 GLN HE22 A 50 ARG HGx 1.0 1.8 4.77 1660 1447 A 50 ARG HGy A 51 GLN HE22 1.0 1.8 4.77 1661 1448 A 87 PHE HB3 A 25 GLN HA 1.0 1.8 5.29 1662 1449 A 82 ASP H A 20 LEU HDx% 1.0 1.8 5.03 1663 1450 A 56 ARG H A 56 ARG HGx 1.0 1.8 3.33 1664 1450 A 56 ARG HGy A 56 ARG H 1.0 1.8 3.33 1665 1451 A 53 LEU H A 53 LEU HG 1.0 1.8 3.29 1666 1452 A 74 ALA HB% A 75 GLN H 1.0 1.8 3.32 1667 1453 A 56 ARG H A 57 GLN HG2 1.0 1.8 4.30 1668 1454 A 71 ASP HB3 A 68 ASN HD22 1.0 1.8 4.90 1669 1455 A 81 GLU HB2 A 82 ASP H 1.0 1.8 4.93 1670 1456 A 58 ILE HG12 A 56 ARG H 1.0 1.8 4.53 1671 1457 A 56 ARG HBx A 56 ARG H 1.0 1.8 3.79 1672 1458 A 50 ARG H A 50 ARG HB2 1.0 1.8 3.20 1673 1459 A 50 ARG H A 49 GLU HB2 1.0 1.8 3.33 1674 1460 A 19 ASN HD22 A 19 ASN HB2 1.0 1.8 3.68 1675 1461 A 53 LEU H A 53 LEU HB3 1.0 1.8 3.80 1676 1462 A 53 LEU H A 51 GLN HB3 1.0 1.8 4.67 1677 1463 A 58 ILE HD1% A 56 ARG H 1.0 1.8 5.99 1678 1464 A 18 ILE HB A 19 ASN HD22 1.0 1.8 5.19 1679 1465 A 58 ILE HG2% A 53 LEU H 1.0 1.8 6.00 1680 1466 A 10 VAL H A 10 VAL HB 1.0 1.8 3.36 1681 1467 A 45 LYS HA A 55 MET HB3 1.0 1.8 4.53 1682 1468 A 45 LYS HA A 48 CYS HBx 1.0 1.8 4.05 1683 1469 A 45 LYS HA A 48 CYS HBy 1.0 1.8 4.05 1684 1470 A 45 LYS HA A 44 MET HA 1.0 1.8 4.94 1685 1471 A 47 TYR HB2 A 30 VAL HGy% 1.0 1.8 4.82 1686 1472 A 18 ILE HD1% A 36 ARG HE 1.0 1.8 4.10 1687 1473 A 57 GLN HB2 A 58 ILE H 1.0 1.8 4.07 1688 1474 A 62 PHE HD% A 63 ASP HB3 1.0 1.8 4.00 1689 1475 A 62 PHE HZ A 78 MET HB3 1.0 1.8 3.22 1690 1476 A 36 ARG HB3 A 36 ARG HE 1.0 1.8 3.86 1691 1477 A 17 HIS HB2 A 34 ILE H 1.0 1.8 4.92 1692 1478 A 83 THR HG2% A 85 ASP H 1.0 1.8 5.57 1693 1479 A 34 ILE H A 33 LYS HG2 1.0 1.8 4.94 1694 1480 A 18 ILE HG13 A 34 ILE H 1.0 1.8 3.91 1695 1481 A 55 MET HB2 A 55 MET H 1.0 1.8 3.72 1696 1482 A 55 MET H A 55 MET HGx 1.0 1.8 3.47 1697 1482 A 55 MET HGy A 55 MET H 1.0 1.8 3.47 1698 1483 A 32 PHE H A 31 GLN HB2 1.0 1.8 3.81 1699 1484 A 69 GLU H A 69 GLU HG3 1.0 1.8 3.65 1700 1485 A 53 LEU HDx% A 55 MET H 1.0 1.8 4.15 1701 1486 A 69 GLU H A 69 GLU HG2 1.0 1.8 3.91 1702 1487 A 34 ILE HD1% A 34 ILE H 1.0 1.8 4.94 1703 1488 A 34 ILE H A 33 LYS HBx 1.0 1.8 4.09 1704 1489 A 84 ILE HB A 85 ASP H 1.0 1.8 4.86 1705 1490 A 61 ARG HG2 A 85 ASP H 1.0 1.8 4.76 1706 1491 A 18 ILE H A 18 ILE HG12 1.0 1.8 4.62 1707 1492 A 20 LEU HB2 A 34 ILE H 1.0 1.8 4.35 1708 1493 A 19 ASN H A 33 LYS HG2 1.0 1.8 6.00 1709 1494 A 62 PHE H A 78 MET HE% 1.0 1.8 6.00 1710 1495 A 40 LEU H A 71 ASP HB3 1.0 1.8 5.11 1711 1496 A 34 ILE H A 17 HIS HB3 1.0 1.8 5.80 1712 1497 A 32 PHE H A 33 LYS HG2 1.0 1.8 5.11 1713 1498 A 18 ILE H A 16 ASP HBx 1.0 1.8 6.00 1714 1498 A 18 ILE H A 16 ASP HBy 1.0 1.8 6.00 1715 1499 A 18 ILE H A 80 ASP HBx 1.0 1.8 6.00 1716 1499 A 80 ASP HBy A 18 ILE H 1.0 1.8 6.00 1717 1500 A 86 VAL HGx% A 60 PHE H 1.0 1.8 5.72 1718 1501 A 36 ARG HD2 A 36 ARG HA 1.0 1.8 4.16 1719 1502 A 36 ARG HD2 A 37 HIS H 1.0 1.8 4.81 1720 1503 A 86 VAL H A 85 ASP HBx 1.0 1.8 3.43 1721 1503 A 86 VAL H A 85 ASP HBy 1.0 1.8 3.43 1722 1504 A 65 GLN HB3 A 65 GLN H 1.0 1.8 3.44 1723 1505 A 57 GLN H A 57 GLN HB3 1.0 1.8 3.92 1724 1506 A 65 GLN H A 63 ASP HB3 1.0 1.8 3.94 1725 1507 A 26 ASP HB3 A 27 GLY H 1.0 1.8 4.11 1726 1508 A 65 GLN H A 65 GLN HGx 1.0 1.8 3.96 1727 1509 A 37 HIS H A 37 HIS HBx 1.0 1.8 3.72 1728 1510 A 35 LYS HB3 A 37 HIS H 1.0 1.8 3.82 1729 1511 A 51 GLN H A 50 ARG HB2 1.0 1.8 3.72 1730 1512 A 78 MET H A 78 MET HB2 1.0 1.8 3.68 1731 1513 A 78 MET H A 77 GLU HB3 1.0 1.8 4.45 1732 1514 A 62 PHE HB3 A 65 GLN H 1.0 1.8 4.94 1733 1515 A 72 THR HG2% A 37 HIS H 1.0 1.8 5.67 1734 1516 A 62 PHE HB2 A 65 GLN H 1.0 1.8 6.00 1735 1517 A 67 ILE H A 68 ASN HB3 1.0 1.8 6.00 1736 1518 A 15 ASN H A 14 ASN HBx 1.0 1.8 4.09 1737 1519 A 17 HIS HB2 A 18 ILE H 1.0 1.8 4.25 1738 1520 A 17 HIS HB3 A 17 HIS HD2 1.0 1.8 3.92 1739 1521 A 17 HIS HB2 A 17 HIS HD2 1.0 1.8 3.46 1740 1522 A 67 ILE HA A 71 ASP HB2 1.0 1.8 4.96 1741 1523 A 36 ARG HD2 A 17 HIS HB2 1.0 1.8 4.47 1742 1524 A 21 LYS HE3 A 31 GLN HE22 1.0 1.8 3.70 1743 1525 A 56 ARG HA A 55 MET HB3 1.0 1.8 5.94 1744 1526 A 72 THR HG2% A 70 THR HA 1.0 1.8 5.36 1745 1527 A 78 MET HE% A 73 PRO HDx 1.0 1.8 5.52 1746 1527 A 78 MET HE% A 73 PRO HDy 1.0 1.8 5.52 1747 1528 A 77 GLU HA A 78 MET HG2 1.0 1.8 4.37 1748 1529 A 74 ALA HB% A 75 GLN HA 1.0 1.8 4.06 1749 1530 A 49 GLU HG2 A 49 GLU HA 1.0 1.8 3.22 1750 1531 A 53 LEU HDx% A 48 CYS HA 1.0 1.8 3.29 1751 1532 A 40 LEU HA A 40 LEU HDy% 1.0 1.8 4.08 1752 1533 A 38 THR HB A 35 LYS HG3 1.0 1.8 4.26 1753 1534 A 25 GLN HA A 25 GLN HGx 1.0 1.8 3.49 1754 1534 A 25 GLN HGy A 25 GLN HA 1.0 1.8 3.49 1755 1535 A 77 GLU HA A 77 GLU HGx 1.0 1.8 2.88 1756 1535 A 77 GLU HA A 77 GLU HGy 1.0 1.8 2.88 1757 1536 A 45 LYS HA A 45 LYS HBx 1.0 1.8 2.98 1758 1536 A 45 LYS HA A 45 LYS HBy 1.0 1.8 2.98 1759 1537 A 47 TYR HA A 50 ARG HGx 1.0 1.8 3.07 1760 1537 A 50 ARG HGy A 47 TYR HA 1.0 1.8 3.07 1761 1538 A 81 GLU HA A 19 ASN HB2 1.0 1.8 3.89 1762 1539 A 58 ILE HG12 A 55 MET HA 1.0 1.8 4.05 1763 1540 A 70 THR HG2% A 69 GLU HA 1.0 1.8 4.90 1764 1541 A 45 LYS HA A 45 LYS HG3 1.0 1.8 3.51 1765 1542 A 48 CYS HA A 53 LEU HG 1.0 1.8 3.07 1766 1543 A 81 GLU HA A 81 GLU HB3 1.0 1.8 3.00 1767 1544 A 41 SER HA A 69 GLU HB3 1.0 1.8 3.12 1768 1545 A 57 GLN HG3 A 54 SER HB2 1.0 1.8 3.35 1769 1546 A 49 GLU HA A 49 GLU HB2 1.0 1.8 3.02 1770 1547 A 45 LYS HA A 55 MET HE% 1.0 1.8 3.48 1771 1548 A 34 ILE HD1% A 40 LEU HA 1.0 1.8 3.40 1772 1549 A 76 LEU HA A 75 GLN HB3 1.0 1.8 4.46 1773 1550 A 45 LYS HA A 45 LYS HDx 1.0 1.8 3.56 1774 1550 A 45 LYS HA A 45 LYS HDy 1.0 1.8 3.56 1775 1551 A 47 TYR HA A 30 VAL HGx% 1.0 1.8 4.44 1776 1552 A 38 THR HB A 34 ILE HG13 1.0 1.8 3.90 1777 1553 A 66 PRO HD3 A 65 GLN HB2 1.0 1.8 4.09 1778 1554 A 40 LEU HB2 A 69 GLU HA 1.0 1.8 3.87 1779 1555 A 76 LEU HDx% A 75 GLN HA 1.0 1.8 4.07 1780 1556 A 47 TYR HA A 30 VAL HGy% 1.0 1.8 4.44 1781 1557 A 81 GLU HA A 19 ASN HB3 1.0 1.8 4.19 1782 1558 A 56 ARG HA A 55 MET HB2 1.0 1.8 4.52 1783 1559 A 12 THR HA A 10 VAL HGx% 1.0 1.8 5.20 1784 1559 A 10 VAL HGy% A 12 THR HA 1.0 1.8 5.20 1785 1560 A 13 GLU HA A 10 VAL HGx% 1.0 1.8 5.62 1786 1560 A 10 VAL HGy% A 13 GLU HA 1.0 1.8 5.62 1787 1561 A 15 ASN HD2y A 15 ASN HBx 1.0 1.8 3.99 1788 1561 A 15 ASN HBy A 15 ASN HD2y 1.0 1.8 3.99 1789 1562 A 18 ILE HD1% A 82 ASP HBy 1.0 1.8 4.68 1790 1563 A 67 ILE HD1% A 62 PHE HB3 1.0 1.8 3.89 1791 1564 A 67 ILE HD1% A 62 PHE HB2 1.0 1.8 3.61 1792 1565 A 21 LYS HE2 A 83 THR HG2% 1.0 1.8 4.67 1793 1566 A 61 ARG HD2 A 61 ARG HB2 1.0 1.8 3.66 1794 1567 A 21 LYS HE2 A 21 LYS HG2 1.0 1.8 3.90 1795 1568 A 45 LYS HG3 A 45 LYS HEx 1.0 1.8 3.57 1796 1568 A 45 LYS HG3 A 45 LYS HEy 1.0 1.8 3.57 1797 1569 A 67 ILE HB A 71 ASP HB2 1.0 1.8 3.56 1798 1570 A 21 LYS HE2 A 29 VAL HGx% 1.0 1.8 3.99 1799 1571 A 33 LYS HG3 A 33 LYS HEx 1.0 1.8 3.95 1800 1571 A 33 LYS HEy A 33 LYS HG3 1.0 1.8 3.95 1801 1572 A 60 PHE HB2 A 44 MET HG3 1.0 1.8 3.96 1802 1573 A 33 LYS HBy A 33 LYS HEx 1.0 1.8 4.48 1803 1573 A 33 LYS HEy A 33 LYS HBy 1.0 1.8 4.48 1804 1574 A 61 ARG HD3 A 61 ARG HB2 1.0 1.8 3.91 1805 1575 A 7 LYS HEy A 7 LYS HBy 1.0 1.8 4.23 1806 1575 A 7 LYS HBy A 7 LYS HEx 1.0 1.8 4.23 1807 1576 A 35 LYS HB3 A 35 LYS HEx 1.0 1.8 5.53 1808 1577 A 35 LYS HB3 A 35 LYS HEy 1.0 1.8 5.53 1809 1578 A 64 GLY H A 63 ASP HB2 1.0 1.8 4.47 1810 1579 A 88 GLN H A 25 GLN HB2 1.0 1.8 4.61 1811 1580 A 88 GLN H A 25 GLN HGx 1.0 1.8 4.36 1812 1580 A 88 GLN H A 25 GLN HGy 1.0 1.8 4.36 1813 1581 A 71 ASP HB3 A 72 THR H 1.0 1.8 3.31 1814 1582 A 89 GLN HE2y A 89 GLN HBx 1.0 1.8 4.98 1815 1583 A 76 LEU H A 75 GLN HB3 1.0 1.8 3.33 1816 1584 A 63 ASP HB2 A 65 GLN HE21 1.0 1.8 4.36 1817 1585 A 32 PHE HE% A 43 LEU HDx% 1.0 1.8 3.29 1818 1586 A 70 THR H A 69 GLU HG3 1.0 1.8 4.10 1819 1587 A 32 PHE HE% A 20 LEU HB2 1.0 1.8 3.82 1820 1588 A 86 VAL HGx% A 60 PHE HZ 1.0 1.8 4.43 1821 1589 A 70 THR H A 69 GLU HG2 1.0 1.8 4.36 1822 1590 A 20 LEU HB2 A 32 PHE HZ 1.0 1.8 4.08 1823 1591 A 32 PHE HZ A 43 LEU HB2 1.0 1.8 5.02 1824 1592 A 32 PHE HE% A 20 LEU HB3 1.0 1.8 4.46 1825 1593 A 68 ASN HB2 A 67 ILE HA 1.0 1.8 5.91 1826 1594 A 57 GLN HE21 A 57 GLN HB3 1.0 1.8 4.47 1827 1595 A 80 ASP HA A 81 GLU HG2 1.0 1.8 5.24 1828 1596 A 38 THR HA A 35 LYS HB3 1.0 1.8 5.65 1829 1597 A 26 ASP H A 25 GLN HGx 1.0 1.8 3.57 1830 1597 A 25 GLN HGy A 26 ASP H 1.0 1.8 3.57 1831 1598 A 77 GLU H A 75 GLN HGx 1.0 1.8 5.57 1832 1598 A 75 GLN HGy A 77 GLU H 1.0 1.8 5.57 1833 1599 A 74 ALA HB% A 36 ARG HA 1.0 1.8 3.91 1834 1600 A 36 ARG HA A 73 PRO HG2 1.0 1.8 3.39 1835 1601 A 77 GLU H A 77 GLU HB3 1.0 1.8 4.01 1836 1602 A 50 ARG HB2 A 52 GLY H 1.0 1.8 5.12 1837 1603 A 30 VAL HB A 47 TYR HB2 1.0 1.8 4.62 1838 1604 A 35 LYS HG2 A 36 ARG HD2 1.0 1.8 6.00 1839 1605 A 58 ILE HG13 A 59 ARG HD2 1.0 1.8 6.00 1840 1606 A 44 MET HA A 44 MET HG3 1.0 1.8 3.51 1841 1607 A 56 ARG HBx A 56 ARG HDx 1.0 1.8 3.65 1842 1607 A 56 ARG HDy A 56 ARG HBx 1.0 1.8 3.65 1843 1608 A 56 ARG HBy A 56 ARG HDx 1.0 1.8 3.55 1844 1608 A 56 ARG HDy A 56 ARG HBy 1.0 1.8 3.55 1845 1609 A 59 ARG HD3 A 59 ARG HB3 1.0 1.8 4.04 1846 1610 A 59 ARG HD3 A 89 GLN HGx 1.0 1.8 5.80 1847 1610 A 89 GLN HGy A 59 ARG HD3 1.0 1.8 5.80 1848 1611 A 21 LYS HE2 A 31 GLN HG2 1.0 1.8 4.73 1849 1612 A 78 MET HG3 A 82 ASP HBy 1.0 1.8 4.59 1850 1613 A 25 GLN HB2 A 87 PHE HB2 1.0 1.8 5.63 1851 1614 A 65 GLN H A 65 GLN HB2 1.0 1.8 3.80 1852 1615 A 50 ARG HB3 A 51 GLN HE21 1.0 1.8 4.69 1853 1616 A 51 GLN HB3 A 51 GLN HE21 1.0 1.8 5.01 1854 1617 A 23 ALA HA A 22 VAL HB 1.0 1.8 5.72 1855 1618 A 22 VAL HB A 24 GLY HA2 1.0 1.8 6.00 1856 1619 A 88 GLN HB2 A 25 GLN HGx 1.0 1.8 4.75 1857 1619 A 25 GLN HGy A 88 GLN HB2 1.0 1.8 4.75 1858 1620 A 72 THR HG2% A 38 THR H 1.0 1.8 3.47 1859 1621 A 76 LEU H A 76 LEU HG 1.0 1.8 4.11 1860 1622 A 59 ARG HG3 A 89 GLN HE2y 1.0 1.8 3.43 1861 1623 A 76 LEU HDx% A 76 LEU H 1.0 1.8 3.39 1862 1624 A 31 GLN HB3 A 31 GLN HE22 1.0 1.8 4.04 1863 1625 A 72 THR H A 40 LEU HDx% 1.0 1.8 5.44 1864 1626 A 78 MET HE% A 76 LEU H 1.0 1.8 5.01 1865 1627 A 23 ALA HB% A 85 ASP HA 1.0 1.8 3.79 1866 1628 A 23 ALA HA A 83 THR HG2% 1.0 1.8 4.99 1867 1629 A 83 THR HG2% A 85 ASP HA 1.0 1.8 4.99 1868 1630 A 61 ARG HB3 A 85 ASP HBx 1.0 1.8 4.05 1869 1630 A 85 ASP HBy A 61 ARG HB3 1.0 1.8 4.05 1870 1631 A 33 LYS HBx A 17 HIS HD2 1.0 1.8 3.69 1871 1632 A 47 TYR HE% A 51 GLN HGx 1.0 1.8 3.66 1872 1632 A 47 TYR HE% A 51 GLN HGy 1.0 1.8 3.66 1873 1633 A 61 ARG HB3 A 87 PHE HE% 1.0 1.8 3.58 1874 1634 A 46 ALA H A 45 LYS HDx 1.0 1.8 4.54 1875 1634 A 45 LYS HDy A 46 ALA H 1.0 1.8 4.54 1876 1635 A 4 GLU H A 5 LYS HBx 1.0 1.8 4.93 1877 1635 A 4 GLU H A 5 LYS HBy 1.0 1.8 4.93 1878 1636 A 47 TYR H A 45 LYS HDx 1.0 1.8 6.00 1879 1636 A 45 LYS HDy A 47 TYR H 1.0 1.8 6.00 1880 1637 A 43 LEU HDx% A 20 LEU HB3 1.0 1.8 4.35 1881 1638 A 31 GLN HE21 A 21 LYS HDx 1.0 1.8 5.07 1882 1638 A 21 LYS HDy A 31 GLN HE21 1.0 1.8 5.07 1883 1639 A 18 ILE HB A 81 GLU HG2 1.0 1.8 6.00 1884 1640 A 81 GLU HG2 A 21 LYS HDx 1.0 1.8 6.00 1885 1640 A 21 LYS HDy A 81 GLU HG2 1.0 1.8 6.00 1886 1641 A 76 LEU HB2 A 75 GLN HB3 1.0 1.8 6.00 1887 1642 A 83 THR HG2% A 85 ASP HBx 1.0 1.8 6.00 1888 1642 A 83 THR HG2% A 85 ASP HBy 1.0 1.8 6.00 1889 1643 A 87 PHE HE% A 61 ARG HB2 1.0 1.8 3.70 1890 1644 A 61 ARG HG3 A 87 PHE HE% 1.0 1.8 3.77 1891 1645 A 61 ARG HG2 A 87 PHE HE% 1.0 1.8 4.03 1892 1646 A 36 ARG HG2 A 35 LYS HA 1.0 1.8 5.74 1893 1647 A 47 TYR HE% A 58 ILE HG13 1.0 1.8 5.37 1894 1648 A 47 TYR HE% A 51 GLN HB2 1.0 1.8 4.40 1895 1649 A 47 TYR HE% A 53 LEU HG 1.0 1.8 4.83 1896 1650 A 47 TYR HE% A 86 VAL HB 1.0 1.8 4.20 1897 1651 A 44 MET HE% A 69 GLU HG3 1.0 1.8 5.04 1898 1652 A 20 LEU HB2 A 19 ASN HA 1.0 1.8 4.55 1899 1653 A 19 ASN HA A 33 LYS HDx 1.0 1.8 4.81 1900 1653 A 33 LYS HDy A 19 ASN HA 1.0 1.8 4.81 1901 1654 A 18 ILE HG13 A 19 ASN HA 1.0 1.8 4.62 1902 1655 A 86 VAL HGy% A 23 ALA HB% 1.0 1.8 5.31 1903 1656 A 51 GLN HB2 A 51 GLN HE21 1.0 1.8 4.64 1904 1657 A 76 LEU HDy% A 75 GLN HB3 1.0 1.8 3.95 1905 1658 A 71 ASP HB3 A 67 ILE HG2% 1.0 1.8 3.70 1906 1659 A 43 LEU HDx% A 40 LEU HB3 1.0 1.8 4.81 1907 1660 A 74 ALA HB% A 36 ARG H 1.0 1.8 4.93 1908 1661 A 72 THR HG2% A 75 GLN HE2y 1.0 1.8 4.62 1909 1662 A 84 ILE HD1% A 21 LYS H 1.0 1.8 4.98 1910 1663 A 84 ILE HG2% A 87 PHE HE% 1.0 1.8 5.40 1911 1664 A 31 GLN HA A 29 VAL HGx% 1.0 1.8 5.17 1912 1665 A 23 ALA HA A 29 VAL HGx% 1.0 1.8 4.53 1913 1666 A 47 TYR HE% A 53 LEU HDx% 1.0 1.8 3.07 1914 1667 A 53 LEU HDx% A 88 GLN HE22 1.0 1.8 4.26 1915 1668 A 53 LEU HDy% A 53 LEU HA 1.0 1.8 5.70 1916 1669 A 51 GLN HE21 A 30 VAL HGx% 1.0 1.8 4.91 1917 1670 A 53 LEU HDy% A 51 GLN HE21 1.0 1.8 5.30 1918 1671 A 86 VAL HGx% A 26 ASP H 1.0 1.8 4.92 1919 1672 A 44 MET H A 44 MET HG2 1.0 1.8 4.31 1920 1673 A 43 LEU HDy% A 44 MET H 1.0 1.8 3.75 1921 1674 A 43 LEU HA A 43 LEU HG 1.0 1.8 3.32 1922 1675 A 22 VAL HGy% A 47 TYR HB3 1.0 1.8 4.70 1923 1676 A 43 LEU HDy% A 40 LEU HDy% 1.0 1.8 4.56 1924 1677 A 43 LEU HDy% A 34 ILE HD1% 1.0 1.8 4.39 1925 1678 A 86 VAL HGx% A 87 PHE HB3 1.0 1.8 4.67 1926 1679 A 82 ASP HBx A 20 LEU HDx% 1.0 1.8 5.41 1927 1680 A 18 ILE HG2% A 36 ARG HD3 1.0 1.8 4.10 1928 1681 A 43 LEU HDy% A 44 MET HA 1.0 1.8 3.36 1929 1682 A 18 ILE HD1% A 36 ARG HD3 1.0 1.8 5.00 1930 1683 A 58 ILE HG2% A 88 GLN HE22 1.0 1.8 4.89 1931 1684 A 58 ILE HG2% A 25 GLN HGx 1.0 1.8 4.78 1932 1684 A 58 ILE HG2% A 25 GLN HGy 1.0 1.8 4.78 1933 1685 A 86 VAL HGx% A 24 GLY H 1.0 1.8 5.01 1934 1686 A 86 VAL HGx% A 59 ARG H 1.0 1.8 3.80 1935 1687 A 86 VAL HGx% A 88 GLN HE22 1.0 1.8 5.75 1936 1688 A 86 VAL HGx% A 87 PHE HD% 1.0 1.8 4.46 1937 1689 A 86 VAL HGx% A 88 GLN HE21 1.0 1.8 5.07 1938 1690 A 47 TYR HE% A 86 VAL HGx% 1.0 1.8 3.40 1939 1691 A 86 VAL HGx% A 88 GLN HA 1.0 1.8 6.00 1940 1692 A 18 ILE HD1% A 79 GLU HA 1.0 1.8 4.80 1941 1693 A 86 VAL HGx% A 24 GLY HA2 1.0 1.8 5.63 1942 1694 A 43 LEU HDx% A 47 TYR H 1.0 1.8 5.90 1943 1695 A 43 LEU HDx% A 43 LEU HA 1.0 1.8 3.73 1944 1696 A 86 VAL HGy% A 87 PHE HD% 1.0 1.8 4.93 1945 1697 A 22 VAL HGx% A 47 TYR HE% 1.0 1.8 3.39 1946 1698 A 43 LEU HDy% A 43 LEU HA 1.0 1.8 3.68 1947 1699 A 72 THR HA A 73 PRO HDx 1.0 1.8 3.79 1948 1699 A 72 THR HA A 73 PRO HDy 1.0 1.8 3.79 1949 1700 A 59 ARG HA A 59 ARG HD2 1.0 1.8 3.35 1950 1701 A 22 VAL HA A 84 ILE HB 1.0 1.8 3.78 1951 1702 A 35 LYS HA A 17 HIS HB3 1.0 1.8 4.51 1952 1703 A 55 MET HA A 55 MET HGx 1.0 1.8 3.69 1953 1703 A 55 MET HGy A 55 MET HA 1.0 1.8 3.69 1954 1704 A 43 LEU HA A 47 TYR HB3 1.0 1.8 5.92 1955 1705 A 43 LEU HA A 44 MET HA 1.0 1.8 4.88 1956 1706 A 50 ARG HA A 50 ARG HDx 1.0 1.8 3.81 1957 1707 A 46 ALA HA A 47 TYR HB3 1.0 1.8 5.78 1958 1708 A 81 GLU HA A 21 LYS HG3 1.0 1.8 5.10 1959 1709 A 68 ASN HB3 A 69 GLU HA 1.0 1.8 6.00 1960 1710 A 25 GLN HB3 A 87 PHE HB3 1.0 1.8 4.20 1961 1711 A 81 GLU HG3 A 19 ASN HB2 1.0 1.8 4.57 1962 1712 A 25 GLN HB2 A 87 PHE HB3 1.0 1.8 5.60 1963 1713 A 86 VAL HGy% A 53 LEU HDx% 1.0 1.8 5.01 1964 1714 A 86 VAL HGy% A 58 ILE HG2% 1.0 1.8 4.61 1965 1715 A 22 VAL HGx% A 43 LEU HDy% 1.0 1.8 4.76 1966 1716 A 84 ILE H A 23 ALA H 1.0 1.8 4.77 1967 1717 A 75 GLN H A 74 ALA H 1.0 1.8 4.04 1968 1718 A 92 GLY H A 93 GLY H 1.0 1.8 5.33 1969 1719 A 74 ALA H A 78 MET H 1.0 1.8 6.00 1970 1720 A 49 GLU H A 51 GLN H 1.0 1.8 4.59 1971 1721 A 56 ARG H A 58 ILE H 1.0 1.8 4.50 1972 1722 A 50 ARG HB2 A 47 TYR HA 1.0 1.8 3.44 1973 1723 A 38 THR HG2% A 38 THR HA 1.0 1.8 3.09 1974 1724 A 19 ASN HA A 33 LYS HBy 1.0 1.8 4.53 1975 1725 A 18 ILE HB A 19 ASN HA 1.0 1.8 5.19 1976 1726 A 19 ASN HA A 33 LYS HBx 1.0 1.8 5.59 1977 1727 A 86 VAL HB A 85 ASP HA 1.0 1.8 4.41 1978 1728 A 46 ALA HB% A 47 TYR HA 1.0 1.8 3.77 1979 1729 A 69 GLU HA A 44 MET HG3 1.0 1.8 5.36 1980 1730 A 38 THR HG2% A 39 PRO HD2 1.0 1.8 3.02 1981 1731 A 38 THR HA A 39 PRO HG2 1.0 1.8 4.45 1982 1732 A 51 GLN HA A 51 GLN HGx 1.0 1.8 2.98 1983 1732 A 51 GLN HA A 51 GLN HGy 1.0 1.8 2.98 1984 1733 A 40 LEU HA A 40 LEU HG 1.0 1.8 3.17 1985 1734 A 75 GLN HA A 75 GLN HGx 1.0 1.8 3.05 1986 1734 A 75 GLN HGy A 75 GLN HA 1.0 1.8 3.05 1987 1735 A 91 THR HA A 91 THR HG2% 1.0 1.8 3.40 1988 1736 A 55 MET HA A 55 MET HB2 1.0 1.8 2.98 1989 1737 A 73 PRO HB2 A 36 ARG HA 1.0 1.8 4.10 1990 1738 A 46 ALA HA A 49 GLU HB2 1.0 1.8 3.26 1991 1739 A 89 GLN HA A 89 GLN HGx 1.0 1.8 3.52 1992 1739 A 89 GLN HGy A 89 GLN HA 1.0 1.8 3.52 1993 1740 A 69 GLU HA A 69 GLU HG3 1.0 1.8 3.69 1994 1741 A 80 ASP HA A 18 ILE HB 1.0 1.8 3.64 1995 1742 A 54 SER HB3 A 56 ARG HGx 1.0 1.8 3.35 1996 1742 A 56 ARG HGy A 54 SER HB3 1.0 1.8 3.35 1997 1743 A 40 LEU HA A 43 LEU HB2 1.0 1.8 4.24 1998 1744 A 41 SER HA A 69 GLU HB2 1.0 1.8 3.43 1999 1745 A 57 GLN HB2 A 54 SER HB3 1.0 1.8 4.08 2000 1746 A 57 GLN HG3 A 54 SER HB3 1.0 1.8 4.21 2001 1747 A 7 LYS HA A 7 LYS HGx 1.0 1.8 3.58 2002 1747 A 7 LYS HGy A 7 LYS HA 1.0 1.8 3.58 2003 1748 A 5 LYS HA A 5 LYS HGx 1.0 1.8 4.16 2004 1748 A 5 LYS HGy A 5 LYS HA 1.0 1.8 4.16 2005 1749 A 34 ILE HG12 A 73 PRO HDx 1.0 1.8 3.77 2006 1749 A 34 ILE HG12 A 73 PRO HDy 1.0 1.8 3.77 2007 1750 A 40 LEU HG A 73 PRO HDx 1.0 1.8 4.30 2008 1750 A 40 LEU HG A 73 PRO HDy 1.0 1.8 4.30 2009 1751 A 5 LYS HBy A 6 PRO HDy 1.0 1.8 4.54 2010 1751 A 5 LYS HBx A 6 PRO HDy 1.0 1.8 4.54 2011 1752 A 83 THR HA A 84 ILE HG13 1.0 1.8 5.04 2012 1753 A 49 GLU HA A 45 LYS HDx 1.0 1.8 4.39 2013 1753 A 45 LYS HDy A 49 GLU HA 1.0 1.8 4.39 2014 1754 A 60 PHE HA A 61 ARG HB3 1.0 1.8 4.43 2015 1755 A 66 PRO HA A 61 ARG HA 1.0 1.8 4.39 2016 1756 A 61 ARG HD2 A 64 GLY HA2 1.0 1.8 4.50 2017 1757 A 61 ARG HD3 A 64 GLY HA2 1.0 1.8 4.59 2018 1758 A 36 ARG HD2 A 36 ARG HB2 1.0 1.8 3.77 2019 1759 A 29 VAL HGy% A 21 LYS HE3 1.0 1.8 3.64 2020 1760 A 84 ILE HG2% A 60 PHE HB3 1.0 1.8 3.58 2021 1761 A 84 ILE HG2% A 85 ASP HBx 1.0 1.8 3.97 2022 1761 A 84 ILE HG2% A 85 ASP HBy 1.0 1.8 3.97 2023 1762 A 18 ILE HG2% A 36 ARG HD2 1.0 1.8 4.10 2024 1763 A 18 ILE HD1% A 73 PRO HB3 1.0 1.8 3.85 2025 1764 A 18 ILE HD1% A 78 MET HE% 1.0 1.8 5.25 2026 1765 A 58 ILE HG2% A 88 GLN HB3 1.0 1.8 3.78 2027 1766 A 43 LEU HDx% A 44 MET HG3 1.0 1.8 5.11 2028 1767 A 43 LEU HDy% A 84 ILE HB 1.0 1.8 4.51 2029 1768 A 22 VAL HGx% A 84 ILE HG2% 1.0 1.8 3.48 2030 1769 A 47 TYR HE% A 60 PHE HE% 1.0 1.8 4.39 2031 1770 A 33 LYS HA A 19 ASN HA 1.0 1.8 3.77 2032 1771 A 18 ILE HG2% A 80 ASP HBx 1.0 1.8 3.62 2033 1771 A 80 ASP HBy A 18 ILE HG2% 1.0 1.8 3.62 2034 1772 A 67 ILE HD1% A 60 PHE HB2 1.0 1.8 3.56 2035 1773 A 78 MET HE% A 78 MET HG3 1.0 1.8 3.43 2036 1774 A 74 ALA HB% A 75 GLN HB2 1.0 1.8 4.86 2037 1775 A 74 ALA HB% A 77 GLU HGx 1.0 1.8 5.12 2038 1775 A 74 ALA HB% A 77 GLU HGy 1.0 1.8 5.12 2039 1776 A 83 THR HG2% A 21 LYS HB2 1.0 1.8 3.58 2040 1777 A 83 THR HG2% A 23 ALA HB% 1.0 1.8 2.80 2041 1778 A 40 LEU HB3 A 40 LEU HDx% 1.0 1.8 3.49 2042 1779 A 43 LEU HDy% A 84 ILE HG12 1.0 1.8 3.95 2043 1780 A 38 THR HA A 39 PRO HD2 1.0 1.8 3.26 2044 1781 A 21 LYS HE3 A 29 VAL HGx% 1.0 1.8 3.49 2045 1782 A 60 PHE HB2 A 67 ILE HG12 1.0 1.8 3.87 2046 1783 A 78 MET HE% A 62 PHE HB3 1.0 1.8 3.69 2047 1784 A 82 ASP HBx A 78 MET HB2 1.0 1.8 3.82 2048 1785 A 60 PHE HB3 A 67 ILE HG12 1.0 1.8 3.79 2049 1786 A 84 ILE HG2% A 84 ILE HG13 1.0 1.8 3.31 2050 1787 A 29 VAL HGy% A 21 LYS HDx 1.0 1.8 3.74 2051 1787 A 29 VAL HGy% A 21 LYS HDy 1.0 1.8 3.74 2052 1788 A 43 LEU HDx% A 40 LEU HG 1.0 1.8 4.44 2053 1789 A 36 ARG HD2 A 73 PRO HG2 1.0 1.8 3.77 2054 1790 A 60 PHE HB3 A 44 MET HE% 1.0 1.8 3.60 2055 1791 A 71 ASP HB3 A 76 LEU HDx% 1.0 1.8 3.69 2056 1792 A 76 LEU HDx% A 75 GLN HGx 1.0 1.8 3.98 2057 1792 A 76 LEU HDx% A 75 GLN HGy 1.0 1.8 3.98 2058 1793 A 43 LEU HDx% A 43 LEU HB2 1.0 1.8 3.44 2059 1794 A 18 ILE HD1% A 78 MET HG2 1.0 1.8 3.89 2060 1795 A 39 PRO HD3 A 38 THR HA 1.0 1.8 3.06 2061 1796 A 40 LEU HB2 A 40 LEU HDx% 1.0 1.8 3.36 2062 1797 A 20 LEU HB3 A 20 LEU HDx% 1.0 1.8 3.21 2063 1798 A 43 LEU HDx% A 34 ILE HG2% 1.0 1.8 3.38 2064 1799 A 43 LEU HDx% A 84 ILE HG12 1.0 1.8 3.90 2065 1800 A 74 ALA HB% A 36 ARG HB3 1.0 1.8 3.18 2066 1801 A 84 ILE HD1% A 84 ILE HB 1.0 1.8 3.31 2067 1802 A 34 ILE HD1% A 43 LEU HB2 1.0 1.8 3.54 2068 1803 A 53 LEU HDx% A 53 LEU HB3 1.0 1.8 3.46 2069 1804 A 44 MET HE% A 67 ILE HG12 1.0 1.8 3.63 2070 1805 A 50 ARG HGy A 30 VAL HGx% 1.0 1.8 3.72 2071 1805 A 30 VAL HGx% A 50 ARG HGx 1.0 1.8 3.72 2072 1806 A 22 VAL HGy% A 84 ILE HB 1.0 1.8 3.28 2073 1807 A 18 ILE HD1% A 18 ILE HG2% 1.0 1.8 2.98 2074 1808 A 58 ILE HD1% A 86 VAL HGx% 1.0 1.8 3.34 2075 1809 A 43 LEU HDx% A 40 LEU HDy% 1.0 1.8 4.05 2076 1810 A 76 LEU HDx% A 76 LEU HB3 1.0 1.8 3.06 2077 1811 A 44 MET HE% A 44 MET HG3 1.0 1.8 3.34 2078 1812 A 84 ILE HG2% A 84 ILE HD1% 1.0 1.8 3.23 2079 1813 A 47 TYR HD% A 60 PHE HZ 1.0 1.8 2.60 2080 1814 A 33 LYS HA A 17 HIS HD2 1.0 1.8 4.25 2081 1815 A 23 ALA HA A 28 SER H 1.0 1.8 4.85 2082 1816 A 61 ARG HA A 87 PHE HE% 1.0 1.8 4.38 2083 1817 A 31 GLN HA A 32 PHE HD% 1.0 1.8 4.58 2084 1818 A 83 THR HA A 82 ASP H 1.0 1.8 5.56 2085 1819 A 83 THR HA A 21 LYS H 1.0 1.8 3.59 2086 1820 A 40 LEU H A 72 THR HA 1.0 1.8 4.14 2087 1821 A 20 LEU HA A 83 THR H 1.0 1.8 5.64 2088 1822 A 74 ALA H A 72 THR HA 1.0 1.8 4.42 2089 1823 A 58 ILE HA A 57 GLN H 1.0 1.8 5.15 2090 1824 A 47 TYR HD% A 29 VAL HA 1.0 1.8 5.00 2091 1825 A 68 ASN HA A 68 ASN HD21 1.0 1.8 4.31 2092 1826 A 29 VAL HA A 28 SER H 1.0 1.8 4.78 2093 1827 A 70 THR H A 68 ASN HA 1.0 1.8 4.29 2094 1828 A 47 TYR HE% A 29 VAL HA 1.0 1.8 4.54 2095 1829 A 14 ASN HD2y A 14 ASN HA 1.0 1.8 4.66 2096 1830 A 22 VAL HA A 60 PHE HE% 1.0 1.8 5.00 2097 1831 A 17 HIS HA A 36 ARG H 1.0 1.8 3.49 2098 1832 A 38 THR H A 37 HIS HA 1.0 1.8 3.15 2099 1833 A 36 ARG H A 37 HIS HA 1.0 1.8 5.47 2100 1834 A 55 MET H A 54 SER HA 1.0 1.8 3.15 2101 1835 A 56 ARG H A 54 SER HA 1.0 1.8 4.12 2102 1836 A 33 LYS H A 32 PHE HA 1.0 1.8 2.89 2103 1837 A 87 PHE HA A 26 ASP H 1.0 1.8 6.00 2104 1838 A 87 PHE HA A 25 GLN HE21 1.0 1.8 5.45 2105 1839 A 70 THR H A 71 ASP HA 1.0 1.8 5.20 2106 1840 A 86 VAL HA A 87 PHE HE% 1.0 1.8 4.11 2107 1841 A 32 PHE HD% A 32 PHE HA 1.0 1.8 3.92 2108 1842 A 86 VAL HA A 87 PHE HD% 1.0 1.8 3.43 2109 1843 A 86 VAL HA A 60 PHE HE% 1.0 1.8 5.34 2110 1844 A 47 TYR HE% A 86 VAL HA 1.0 1.8 5.84 2111 1845 A 53 LEU HA A 52 GLY H 1.0 1.8 5.47 2112 1846 A 88 GLN HA A 58 ILE H 1.0 1.8 4.87 2113 1847 A 15 ASN HD2y A 15 ASN HA 1.0 1.8 4.92 2114 1848 A 15 ASN HD2x A 15 ASN HA 1.0 1.8 4.92 2115 1849 A 60 PHE HD% A 59 ARG HA 1.0 1.8 3.45 2116 1850 A 59 ARG HA A 60 PHE HE% 1.0 1.8 4.59 2117 1851 A 18 ILE HA A 19 ASN HD21 1.0 1.8 5.50 2118 1852 A 88 GLN HA A 88 GLN HE21 1.0 1.8 5.90 2119 1853 A 84 ILE HA A 83 THR H 1.0 1.8 5.06 2120 1854 A 86 VAL H A 24 GLY HA2 1.0 1.8 4.10 2121 1855 A 47 TYR HE% A 24 GLY HA2 1.0 1.8 5.06 2122 1856 A 80 ASP HA A 82 ASP H 1.0 1.8 3.71 2123 1857 A 26 ASP HA A 25 GLN HE22 1.0 1.8 5.17 2124 1858 A 57 GLN HA A 57 GLN HE22 1.0 1.8 4.73 2125 1859 A 40 LEU H A 72 THR HB 1.0 1.8 5.66 2126 1860 A 76 LEU HA A 75 GLN H 1.0 1.8 5.22 2127 1861 A 76 LEU HA A 78 MET H 1.0 1.8 5.31 2128 1862 A 47 TYR HE% A 51 GLN HA 1.0 1.8 6.00 2129 1863 A 86 VAL H A 25 GLN HA 1.0 1.8 5.14 2130 1864 A 65 GLN HE21 A 66 PRO HD2 1.0 1.8 6.00 2131 1865 A 48 CYS H A 48 CYS HBy 1.0 1.8 3.75 2132 1866 A 71 ASP HB2 A 68 ASN HD22 1.0 1.8 4.83 2133 1867 A 17 HIS HE1 A 33 LYS HEx 1.0 1.8 3.98 2134 1867 A 33 LYS HEy A 17 HIS HE1 1.0 1.8 3.98 2135 1868 A 17 HIS HD2 A 33 LYS HEx 1.0 1.8 3.98 2136 1868 A 33 LYS HEy A 17 HIS HD2 1.0 1.8 3.98 2137 1869 A 49 GLU HG3 A 48 CYS H 1.0 1.8 5.37 2138 1870 A 91 THR H A 90 GLN HGx 1.0 1.8 4.93 2139 1870 A 90 GLN HGy A 91 THR H 1.0 1.8 4.93 2140 1871 A 56 ARG H A 57 GLN HB2 1.0 1.8 5.33 2141 1872 A 66 PRO HB2 A 87 PHE HZ 1.0 1.8 5.35 2142 1873 A 57 GLN HG3 A 54 SER H 1.0 1.8 3.83 2143 1874 A 50 ARG H A 49 GLU HG2 1.0 1.8 5.03 2144 1875 A 87 PHE HE% A 89 GLN HGx 1.0 1.8 4.53 2145 1875 A 89 GLN HGy A 87 PHE HE% 1.0 1.8 4.53 2146 1876 A 73 PRO HG3 A 36 ARG HE 1.0 1.8 4.53 2147 1877 A 25 GLN HB3 A 87 PHE HD% 1.0 1.8 5.02 2148 1878 A 50 ARG HB2 A 51 GLN HE22 1.0 1.8 5.19 2149 1879 A 13 GLU H A 13 GLU HBx 1.0 1.8 3.30 2150 1879 A 13 GLU HBy A 13 GLU H 1.0 1.8 3.30 2151 1880 A 14 ASN H A 13 GLU HBx 1.0 1.8 3.60 2152 1880 A 13 GLU HBy A 14 ASN H 1.0 1.8 3.60 2153 1881 A 9 GLY H A 8 GLU HBx 1.0 1.8 3.80 2154 1881 A 8 GLU HBy A 9 GLY H 1.0 1.8 3.80 2155 1882 A 47 TYR HD% A 50 ARG HB2 1.0 1.8 4.36 2156 1883 A 57 GLN HE21 A 56 ARG HBy 1.0 1.8 5.28 2157 1884 A 56 ARG HBy A 56 ARG HE 1.0 1.8 4.34 2158 1885 A 44 MET HG3 A 60 PHE HZ 1.0 1.8 4.35 2159 1886 A 60 PHE HD% A 44 MET HG3 1.0 1.8 4.10 2160 1887 A 56 ARG HBx A 57 GLN HE21 1.0 1.8 5.30 2161 1888 A 56 ARG HBx A 56 ARG HE 1.0 1.8 4.02 2162 1889 A 32 PHE HE% A 34 ILE HB 1.0 1.8 3.93 2163 1890 A 56 ARG HBx A 57 GLN HE22 1.0 1.8 5.96 2164 1891 A 84 ILE HB A 21 LYS H 1.0 1.8 5.22 2165 1892 A 51 GLN HE21 A 50 ARG HGx 1.0 1.8 5.21 2166 1892 A 50 ARG HGy A 51 GLN HE21 1.0 1.8 5.21 2167 1893 A 59 ARG H A 59 ARG HB2 1.0 1.8 3.51 2168 1894 A 61 ARG HB3 A 87 PHE HZ 1.0 1.8 4.07 2169 1895 A 36 ARG HG2 A 17 HIS H 1.0 1.8 6.00 2170 1896 A 67 ILE H A 61 ARG HB2 1.0 1.8 5.08 2171 1897 A 8 GLU H A 7 LYS HGx 1.0 1.8 4.33 2172 1897 A 7 LYS HGy A 8 GLU H 1.0 1.8 4.33 2173 1898 A 45 LYS HG2 A 46 ALA H 1.0 1.8 5.01 2174 1899 A 51 GLN HB2 A 48 CYS H 1.0 1.8 6.00 2175 1900 A 53 LEU HG A 48 CYS H 1.0 1.8 6.00 2176 1901 A 32 PHE HD% A 43 LEU HB2 1.0 1.8 4.93 2177 1902 A 59 ARG HB3 A 87 PHE HZ 1.0 1.8 4.56 2178 1903 A 31 GLN HE21 A 21 LYS HG3 1.0 1.8 5.07 2179 1904 A 20 LEU HB3 A 32 PHE HD% 1.0 1.8 4.34 2180 1905 A 70 THR HG2% A 68 ASN HD21 1.0 1.8 4.72 2181 1906 A 58 ILE HG12 A 57 GLN H 1.0 1.8 3.82 2182 1907 A 58 ILE HG13 A 88 GLN HE21 1.0 1.8 5.88 2183 1908 A 72 THR HG2% A 71 ASP H 1.0 1.8 5.35 2184 1909 A 84 ILE HG2% A 60 PHE HZ 1.0 1.8 5.67 2185 1910 A 32 PHE HE% A 29 VAL HGy% 1.0 1.8 4.65 2186 1911 A 9 GLY H A 10 VAL HGx% 1.0 1.8 4.88 2187 1911 A 9 GLY H A 10 VAL HGy% 1.0 1.8 4.88 2188 1912 A 60 PHE H A 67 ILE HG12 1.0 1.8 4.57 2189 1913 A 32 PHE HE% A 22 VAL HGy% 1.0 1.8 2.92 2190 1914 A 47 TYR HE% A 58 ILE HD1% 1.0 1.8 3.31 2191 1915 A 18 ILE HG2% A 19 ASN HD21 1.0 1.8 5.26 2192 1916 A 58 ILE HD1% A 88 GLN HE21 1.0 1.8 5.54 2193 1917 A 58 ILE HG2% A 88 GLN HE21 1.0 1.8 4.75 2194 1918 A 84 ILE HD1% A 83 THR H 1.0 1.8 4.39 2195 1919 A 18 ILE HD1% A 36 ARG H 1.0 1.8 5.45 2196 1920 A 43 LEU HDx% A 44 MET H 1.0 1.8 4.49 2197 1921 A 43 LEU HDx% A 32 PHE HZ 1.0 1.8 3.88 2198 1922 A 86 VAL HGy% A 59 ARG H 1.0 1.8 4.55 2199 1923 A 86 VAL HGy% A 60 PHE H 1.0 1.8 5.21 2200 1924 A 86 VAL HGy% A 60 PHE HZ 1.0 1.8 4.01 2201 1925 A 43 LEU HDy% A 47 TYR H 1.0 1.8 4.46 2202 1926 A 43 LEU HDy% A 46 ALA H 1.0 1.8 5.09 2203 1927 A 43 LEU HDy% A 60 PHE HZ 1.0 1.8 4.09 2204 1928 A 22 VAL HGx% A 25 GLN H 1.0 1.8 5.79 2205 1929 A 22 VAL HGx% A 85 ASP H 1.0 1.8 6.00 2206 1930 A 22 VAL HGx% A 47 TYR H 1.0 1.8 5.10 2207 1931 A 22 VAL HGx% A 24 GLY H 1.0 1.8 4.40 2208 1932 A 22 VAL HGx% A 60 PHE HZ 1.0 1.8 3.71 2209 1933 A 22 VAL HGx% A 32 PHE HE% 1.0 1.8 4.18 2210 1934 A 22 VAL HGx% A 60 PHE HE% 1.0 1.8 3.25 2211 1935 A 23 ALA HA A 29 VAL HB 1.0 1.8 5.23 2212 1936 A 18 ILE HG2% A 19 ASN HA 1.0 1.8 5.67 2213 1937 A 22 VAL HGx% A 85 ASP HA 1.0 1.8 5.81 2214 1938 A 32 PHE HE% A 33 LYS HA 1.0 1.8 5.65 2215 1939 A 84 ILE H A 83 THR HB 1.0 1.8 4.34 2216 1940 A 23 ALA H A 83 THR HB 1.0 1.8 5.12 2217 1941 A 25 GLN HA A 28 SER H 1.0 1.8 5.61 2218 1942 A 70 THR HA A 68 ASN HD22 1.0 1.8 6.00 2219 1943 A 28 SER HA A 27 GLY H 1.0 1.8 4.99 2220 1944 A 27 GLY H A 28 SER HBy 1.0 1.8 5.04 2221 1945 A 38 THR H A 39 PRO HD2 1.0 1.8 5.04 2222 1946 A 61 ARG H A 85 ASP HBx 1.0 1.8 4.31 2223 1946 A 85 ASP HBy A 61 ARG H 1.0 1.8 4.31 2224 1947 A 61 ARG H A 61 ARG HG2 1.0 1.8 4.52 2225 1948 A 84 ILE HG2% A 61 ARG H 1.0 1.8 3.72 2226 1949 A 61 ARG H A 84 ILE HG12 1.0 1.8 5.48 2227 1950 A 63 ASP HB2 A 63 ASP H 1.0 1.8 4.11 2228 1951 A 19 ASN HB3 A 81 GLU H 1.0 1.8 4.89 2229 1952 A 78 MET HE% A 63 ASP H 1.0 1.8 5.80 2230 1953 A 82 ASP HBy A 81 GLU H 1.0 1.8 5.11 2231 1954 A 81 GLU HG3 A 81 GLU H 1.0 1.8 3.90 2232 1955 A 18 ILE HB A 81 GLU H 1.0 1.8 4.13 2233 1956 A 18 ILE HG13 A 81 GLU H 1.0 1.8 4.84 2234 1957 A 18 ILE HG2% A 81 GLU H 1.0 1.8 4.79 2235 1958 A 18 ILE HD1% A 81 GLU H 1.0 1.8 4.76 2236 1959 A 84 ILE H A 22 VAL HB 1.0 1.8 5.29 2237 1960 A 84 ILE H A 84 ILE HG13 1.0 1.8 4.16 2238 1961 A 84 ILE H A 23 ALA HB% 1.0 1.8 4.09 2239 1962 A 84 ILE H A 21 LYS HB3 1.0 1.8 4.70 2240 1963 A 84 ILE H A 20 LEU HB3 1.0 1.8 5.92 2241 1964 A 84 ILE HG2% A 84 ILE H 1.0 1.8 3.82 2242 1965 A 84 ILE H A 22 VAL HGy% 1.0 1.8 4.24 2243 1966 A 78 MET HE% A 79 GLU H 1.0 1.8 4.47 2244 1967 A 29 VAL HB A 23 ALA H 1.0 1.8 5.47 2245 1968 A 84 ILE HB A 23 ALA H 1.0 1.8 4.24 2246 1969 A 86 VAL HB A 23 ALA H 1.0 1.8 4.86 2247 1970 A 29 VAL HGy% A 23 ALA H 1.0 1.8 4.08 2248 1971 A 84 ILE HD1% A 23 ALA H 1.0 1.8 5.18 2249 1972 A 68 ASN H A 71 ASP HB2 1.0 1.8 4.33 2250 1973 A 31 GLN HG2 A 22 VAL H 1.0 1.8 5.42 2251 1974 A 68 ASN H A 44 MET HE% 1.0 1.8 4.23 2252 1975 A 23 ALA HB% A 22 VAL H 1.0 1.8 5.26 2253 1976 A 20 LEU HB3 A 22 VAL H 1.0 1.8 6.00 2254 1977 A 68 ASN H A 70 THR HG2% 1.0 1.8 6.00 2255 1978 A 84 ILE HB A 22 VAL H 1.0 1.8 5.43 2256 1979 A 68 ASN H A 67 ILE HG13 1.0 1.8 5.91 2257 1980 A 22 VAL H A 21 LYS HG3 1.0 1.8 4.73 2258 1981 A 59 ARG HB3 A 60 PHE H 1.0 1.8 4.01 2259 1982 A 55 MET H A 56 ARG HGx 1.0 1.8 4.46 2260 1982 A 56 ARG HGy A 55 MET H 1.0 1.8 4.46 2261 1983 A 84 ILE HG13 A 85 ASP H 1.0 1.8 4.71 2262 1984 A 19 ASN H A 18 ILE HG13 1.0 1.8 4.11 2263 1985 A 47 TYR H A 44 MET HBx 1.0 1.8 5.57 2264 1985 A 44 MET HBy A 47 TYR H 1.0 1.8 5.57 2265 1986 A 22 VAL HB A 30 VAL H 1.0 1.8 4.30 2266 1987 A 88 GLN H A 25 GLN HB3 1.0 1.8 4.70 2267 1988 A 21 LYS H A 21 LYS HDx 1.0 1.8 4.20 2268 1988 A 21 LYS HDy A 21 LYS H 1.0 1.8 4.20 2269 1989 A 31 GLN H A 21 LYS HE3 1.0 1.8 5.37 2270 1990 A 39 PRO HB3 A 41 SER H 1.0 1.8 3.97 2271 1991 A 48 CYS H A 50 ARG HGx 1.0 1.8 5.89 2272 1991 A 50 ARG HGy A 48 CYS H 1.0 1.8 5.89 2273 1992 A 49 GLU HB2 A 48 CYS H 1.0 1.8 4.96 2274 1993 A 48 CYS H A 45 LYS HDx 1.0 1.8 4.61 2275 1993 A 45 LYS HDy A 48 CYS H 1.0 1.8 4.61 2276 1994 A 53 LEU HDy% A 48 CYS H 1.0 1.8 5.96 2277 1995 A 53 LEU HDx% A 49 GLU H 1.0 1.8 5.06 2278 1996 A 49 GLU H A 48 CYS HBx 1.0 1.8 4.47 2279 1997 A 12 THR H A 11 LYS HBx 1.0 1.8 4.55 2280 1998 A 3 ASP H A 3 ASP HBy 1.0 1.8 3.74 2281 1999 A 34 ILE HG2% A 36 ARG H 1.0 1.8 5.29 2282 2000 A 70 THR HG2% A 68 ASN HD22 1.0 1.8 5.74 2283 2001 A 57 GLN H A 56 ARG HBy 1.0 1.8 4.33 2284 2002 A 35 LYS HG2 A 17 HIS HE1 1.0 1.8 6.00 2285 2003 A 25 GLN HB3 A 25 GLN HE21 1.0 1.8 4.82 2286 2004 A 57 GLN HE21 A 56 ARG HGx 1.0 1.8 4.85 2287 2004 A 56 ARG HGy A 57 GLN HE21 1.0 1.8 4.85 2288 2005 A 71 ASP H A 69 GLU HB2 1.0 1.8 5.17 2289 2006 A 55 MET HE% A 46 ALA H 1.0 1.8 4.68 2290 2007 A 49 GLU HG2 A 46 ALA H 1.0 1.8 5.82 2291 2008 A 53 LEU HB2 A 88 GLN HE22 1.0 1.8 4.71 2292 2009 A 47 TYR HD% A 48 CYS HBx 1.0 1.8 4.98 2293 2010 A 60 PHE HE% A 84 ILE HB 1.0 1.8 5.29 2294 2011 A 88 GLN HB3 A 88 GLN HE21 1.0 1.8 4.42 2295 2012 A 53 LEU HB3 A 88 GLN HE21 1.0 1.8 4.87 2296 2013 A 51 GLN HE21 A 47 TYR HB2 1.0 1.8 5.55 2297 2014 A 47 TYR HE% A 50 ARG HB2 1.0 1.8 5.48 2298 2015 A 47 TYR HE% A 50 ARG HGx 1.0 1.8 6.00 2299 2015 A 47 TYR HE% A 50 ARG HGy 1.0 1.8 6.00 2300 2016 A 80 ASP HA A 82 ASP HBy 1.0 1.8 4.55 2301 2017 A 57 GLN HG2 A 54 SER HB3 1.0 1.8 4.40 2302 2018 A 30 VAL HA A 31 GLN HB3 1.0 1.8 5.85 2303 2019 A 35 LYS HB2 A 73 PRO HDx 1.0 1.8 5.43 2304 2019 A 35 LYS HB2 A 73 PRO HDy 1.0 1.8 5.43 2305 2020 A 12 THR HB A 11 LYS HDx 1.0 1.8 5.82 2306 2020 A 11 LYS HDy A 12 THR HB 1.0 1.8 5.82 2307 2021 A 12 THR HB A 11 LYS HGx 1.0 1.8 5.10 2308 2021 A 12 THR HB A 11 LYS HGy 1.0 1.8 5.10 2309 2022 A 64 GLY HA3 A 63 ASP HB3 1.0 1.8 5.60 2310 2023 A 55 MET HA A 53 LEU HB2 1.0 1.8 5.70 2311 2024 A 34 ILE HG13 A 73 PRO HDx 1.0 1.8 4.85 2312 2024 A 73 PRO HDy A 34 ILE HG13 1.0 1.8 4.85 2313 2025 A 70 THR HG2% A 70 THR HA 1.0 1.8 2.77 2314 2026 A 38 THR HB A 35 LYS HG2 1.0 1.8 4.31 2315 2027 A 72 THR HG2% A 39 PRO HD2 1.0 1.8 4.73 2316 2028 A 12 THR HB A 10 VAL HGx% 1.0 1.8 5.95 2317 2028 A 10 VAL HGy% A 12 THR HB 1.0 1.8 5.95 2318 2029 A 76 LEU HDy% A 73 PRO HDx 1.0 1.8 4.90 2319 2029 A 76 LEU HDy% A 73 PRO HDy 1.0 1.8 4.90 2320 2030 A 80 ASP HA A 20 LEU HDy% 1.0 1.8 5.57 2321 2031 A 53 LEU HDx% A 54 SER HB3 1.0 1.8 5.02 2322 2032 A 73 PRO HA A 40 LEU HDy% 1.0 1.8 4.51 2323 2033 A 18 ILE HD1% A 73 PRO HA 1.0 1.8 4.88 2324 2034 A 18 ILE HD1% A 74 ALA HA 1.0 1.8 5.24 2325 2035 A 22 VAL HGx% A 47 TYR HA 1.0 1.8 5.12 2326 2036 A 84 ILE HD1% A 61 ARG H 1.0 1.8 6.00 2327 2037 A 84 ILE H A 78 MET HE% 1.0 1.8 6.00 2328 2038 A 21 LYS HB3 A 23 ALA H 1.0 1.8 5.58 2329 2039 A 86 VAL HGy% A 22 VAL H 1.0 1.8 6.00 2330 2040 A 58 ILE HD1% A 47 TYR H 1.0 1.8 6.00 2331 2041 A 22 VAL HB A 47 TYR H 1.0 1.8 5.37 2332 2042 A 64 GLY H A 61 ARG HG2 1.0 1.8 6.00 2333 2043 A 67 ILE H A 62 PHE HB2 1.0 1.8 6.00 2334 2044 A 67 ILE H A 62 PHE HB3 1.0 1.8 6.00 2335 2045 A 58 ILE HG2% A 25 GLN HE21 1.0 1.8 5.97 2336 2046 A 58 ILE HG2% A 57 GLN HE21 1.0 1.8 6.00 2337 2047 A 53 LEU HG A 88 GLN HE22 1.0 1.8 5.55 2338 2048 A 58 ILE H A 55 MET HGx 1.0 1.8 5.87 2339 2048 A 55 MET HGy A 58 ILE H 1.0 1.8 5.87 2340 2049 A 66 PRO HB2 A 87 PHE HE% 1.0 1.8 6.00 2341 2050 A 51 GLN HE21 A 50 ARG HB2 1.0 1.8 5.45 2342 2051 A 81 GLU HG3 A 19 ASN HA 1.0 1.8 6.00 2343 2052 A 34 ILE HB A 33 LYS HA 1.0 1.8 5.04 2344 2053 A 60 PHE HA A 58 ILE HD1% 1.0 1.8 5.49 2345 2054 A 21 LYS HE3 A 31 GLN HA 1.0 1.8 4.62 2346 2055 A 31 GLN HA A 21 LYS HG3 1.0 1.8 3.85 2347 2056 A 20 LEU HB3 A 83 THR HA 1.0 1.8 5.20 2348 2057 A 67 ILE HG2% A 61 ARG HA 1.0 1.8 4.60 2349 2058 A 61 ARG HA A 67 ILE HG12 1.0 1.8 4.92 2350 2059 A 29 VAL HGy% A 31 GLN HA 1.0 1.8 4.90 2351 2060 A 29 VAL HGy% A 83 THR HA 1.0 1.8 5.17 2352 2061 A 82 ASP HBy A 20 LEU HA 1.0 1.8 4.71 2353 2062 A 19 ASN HB3 A 20 LEU HA 1.0 1.8 5.20 2354 2063 A 20 LEU HA A 21 LYS HDx 1.0 1.8 5.05 2355 2063 A 21 LYS HDy A 20 LEU HA 1.0 1.8 5.05 2356 2064 A 20 LEU HA A 19 ASN HB2 1.0 1.8 5.06 2357 2065 A 82 ASP HBx A 20 LEU HA 1.0 1.8 5.52 2358 2066 A 21 LYS HB2 A 20 LEU HA 1.0 1.8 4.44 2359 2067 A 73 PRO HB3 A 72 THR HA 1.0 1.8 5.04 2360 2068 A 20 LEU HG A 20 LEU HA 1.0 1.8 4.04 2361 2069 A 18 ILE HG13 A 20 LEU HA 1.0 1.8 5.47 2362 2070 A 18 ILE HD1% A 20 LEU HA 1.0 1.8 5.08 2363 2071 A 71 ASP HB3 A 72 THR HA 1.0 1.8 4.94 2364 2072 A 73 PRO HG3 A 72 THR HA 1.0 1.8 4.75 2365 2073 A 40 LEU HB2 A 72 THR HA 1.0 1.8 4.88 2366 2074 A 72 THR HA A 73 PRO HG2 1.0 1.8 4.68 2367 2075 A 34 ILE HG2% A 20 LEU HA 1.0 1.8 4.71 2368 2076 A 34 ILE HD1% A 72 THR HA 1.0 1.8 4.82 2369 2077 A 72 THR HA A 40 LEU HDy% 1.0 1.8 4.33 2370 2078 A 72 THR HA A 40 LEU HDx% 1.0 1.8 4.33 2371 2079 A 72 THR HA A 71 ASP HB2 1.0 1.8 5.69 2372 2080 A 58 ILE HA A 89 GLN HGx 1.0 1.8 4.67 2373 2080 A 58 ILE HA A 89 GLN HGy 1.0 1.8 4.67 2374 2081 A 69 GLU HG2 A 68 ASN HA 1.0 1.8 5.16 2375 2082 A 58 ILE HA A 88 GLN HB3 1.0 1.8 4.28 2376 2083 A 58 ILE HG12 A 58 ILE HA 1.0 1.8 4.08 2377 2084 A 58 ILE HG13 A 58 ILE HA 1.0 1.8 4.16 2378 2085 A 58 ILE HG2% A 58 ILE HA 1.0 1.8 3.28 2379 2086 A 86 VAL HGx% A 58 ILE HA 1.0 1.8 4.50 2380 2087 A 86 VAL HGy% A 58 ILE HA 1.0 1.8 5.80 2381 2088 A 44 MET HE% A 68 ASN HA 1.0 1.8 3.52 2382 2089 A 29 VAL HGy% A 29 VAL HA 1.0 1.8 3.11 2383 2090 A 29 VAL HA A 29 VAL HGx% 1.0 1.8 3.27 2384 2091 A 21 LYS HE2 A 21 LYS HA 1.0 1.8 5.02 2385 2092 A 65 GLN HA A 65 GLN HGx 1.0 1.8 3.98 2386 2093 A 21 LYS HA A 21 LYS HDx 1.0 1.8 4.19 2387 2093 A 21 LYS HDy A 21 LYS HA 1.0 1.8 4.19 2388 2094 A 21 LYS HA A 21 LYS HG3 1.0 1.8 3.89 2389 2095 A 22 VAL HA A 83 THR HG2% 1.0 1.8 3.44 2390 2096 A 22 VAL HA A 22 VAL HGy% 1.0 1.8 3.27 2391 2097 A 21 LYS HG2 A 21 LYS HA 1.0 1.8 3.82 2392 2098 A 20 LEU HB3 A 21 LYS HA 1.0 1.8 4.56 2393 2099 A 36 ARG HD2 A 17 HIS HA 1.0 1.8 4.41 2394 2100 A 35 LYS HG2 A 17 HIS HA 1.0 1.8 5.31 2395 2101 A 18 ILE HG2% A 17 HIS HA 1.0 1.8 4.66 2396 2102 A 17 HIS HA A 16 ASP HBx 1.0 1.8 4.49 2397 2102 A 17 HIS HA A 16 ASP HBy 1.0 1.8 4.49 2398 2103 A 56 ARG HBx A 54 SER HA 1.0 1.8 6.00 2399 2104 A 86 VAL HA A 60 PHE HB3 1.0 1.8 5.06 2400 2105 A 87 PHE HA A 25 GLN HB2 1.0 1.8 3.87 2401 2106 A 31 GLN HB3 A 32 PHE HA 1.0 1.8 5.28 2402 2107 A 61 ARG HB3 A 66 PRO HA 1.0 1.8 4.44 2403 2108 A 66 PRO HA A 61 ARG HB2 1.0 1.8 3.95 2404 2109 A 33 LYS HG2 A 32 PHE HA 1.0 1.8 4.27 2405 2110 A 84 ILE HG2% A 86 VAL HA 1.0 1.8 4.50 2406 2111 A 86 VAL HA A 58 ILE HD1% 1.0 1.8 5.01 2407 2112 A 88 GLN HA A 89 GLN HGx 1.0 1.8 4.35 2408 2112 A 88 GLN HA A 89 GLN HGy 1.0 1.8 4.35 2409 2113 A 17 HIS HB2 A 18 ILE HA 1.0 1.8 4.88 2410 2114 A 60 PHE HB2 A 59 ARG HA 1.0 1.8 5.26 2411 2115 A 58 ILE HB A 88 GLN HA 1.0 1.8 4.09 2412 2116 A 59 ARG HA A 59 ARG HG3 1.0 1.8 3.88 2413 2117 A 58 ILE HG12 A 59 ARG HA 1.0 1.8 5.98 2414 2118 A 88 GLN HA A 58 ILE HG12 1.0 1.8 6.00 2415 2119 A 34 ILE HG2% A 18 ILE HA 1.0 1.8 5.81 2416 2120 A 88 GLN HA A 53 LEU HDy% 1.0 1.8 6.00 2417 2121 A 18 ILE HA A 18 ILE HG12 1.0 1.8 4.12 2418 2122 A 18 ILE HD1% A 18 ILE HA 1.0 1.8 4.38 2419 2123 A 24 GLY HA2 A 25 GLN HGx 1.0 1.8 4.49 2420 2123 A 25 GLN HGy A 24 GLY HA2 1.0 1.8 4.49 2421 2124 A 86 VAL HB A 24 GLY HA2 1.0 1.8 3.41 2422 2125 A 84 ILE HA A 85 ASP HBx 1.0 1.8 4.27 2423 2125 A 84 ILE HA A 85 ASP HBy 1.0 1.8 4.27 2424 2126 A 84 ILE HA A 83 THR HG2% 1.0 1.8 4.62 2425 2127 A 84 ILE HA A 84 ILE HG12 1.0 1.8 3.95 2426 2128 A 80 ASP HA A 81 GLU HB2 1.0 1.8 4.99 2427 2129 A 80 ASP HA A 20 LEU HDx% 1.0 1.8 5.57 2428 2130 A 84 ILE HA A 67 ILE HD1% 1.0 1.8 5.38 2429 2131 A 79 GLU HA A 79 GLU HGy 1.0 1.8 3.82 2430 2132 A 80 ASP HA A 18 ILE HG13 1.0 1.8 4.56 2431 2133 A 79 GLU HA A 78 MET HB3 1.0 1.8 6.00 2432 2134 A 79 GLU HA A 78 MET HG2 1.0 1.8 6.00 2433 2135 A 72 THR HG2% A 38 THR HA 1.0 1.8 3.85 2434 2136 A 80 ASP HA A 18 ILE HG2% 1.0 1.8 3.59 2435 2137 A 17 HIS HB2 A 35 LYS HA 1.0 1.8 4.25 2436 2138 A 35 LYS HA A 35 LYS HDx 1.0 1.8 3.97 2437 2138 A 35 LYS HDy A 35 LYS HA 1.0 1.8 3.97 2438 2139 A 34 ILE HG2% A 35 LYS HA 1.0 1.8 4.42 2439 2140 A 11 LYS HA A 11 LYS HEx 1.0 1.8 4.74 2440 2140 A 11 LYS HEy A 11 LYS HA 1.0 1.8 4.74 2441 2141 A 1 MET HA A 1 MET HGy 1.0 1.8 4.19 2442 2142 A 11 LYS HA A 11 LYS HGx 1.0 1.8 3.59 2443 2142 A 11 LYS HGy A 11 LYS HA 1.0 1.8 3.59 2444 2143 A 67 ILE HD1% A 67 ILE HA 1.0 1.8 4.10 2445 2144 A 55 MET HA A 44 MET HA 1.0 1.8 5.99 2446 2145 A 87 PHE HB2 A 89 GLN HA 1.0 1.8 5.60 2447 2146 A 89 GLN HA A 90 GLN HGx 1.0 1.8 4.99 2448 2146 A 90 GLN HGy A 89 GLN HA 1.0 1.8 4.99 2449 2147 A 28 SER HA A 29 VAL HGx% 1.0 1.8 4.34 2450 2148 A 46 ALA HA A 49 GLU HG3 1.0 1.8 4.24 2451 2149 A 68 ASN HB2 A 70 THR HA 1.0 1.8 5.20 2452 2150 A 40 LEU HB2 A 70 THR HA 1.0 1.8 5.61 2453 2151 A 38 THR HB A 73 PRO HG2 1.0 1.8 5.11 2454 2152 A 76 LEU HDy% A 74 ALA HA 1.0 1.8 4.23 2455 2153 A 54 SER HB3 A 56 ARG HDx 1.0 1.8 4.60 2456 2153 A 56 ARG HDy A 54 SER HB3 1.0 1.8 4.60 2457 2154 A 8 GLU HGy A 9 GLY HAx 1.0 1.8 5.56 2458 2154 A 8 GLU HGx A 9 GLY HAx 1.0 1.8 5.56 2459 2154 A 9 GLY HAy A 8 GLU HGx 1.0 1.8 5.56 2460 2154 A 8 GLU HGy A 9 GLY HAy 1.0 1.8 5.56 2461 2155 A 9 GLY HAy A 10 VAL HGx% 1.0 1.8 3.78 2462 2155 A 9 GLY HAx A 10 VAL HGx% 1.0 1.8 3.78 2463 2155 A 10 VAL HGy% A 9 GLY HAx 1.0 1.8 3.78 2464 2155 A 10 VAL HGy% A 9 GLY HAy 1.0 1.8 3.78 2465 2156 A 58 ILE HG2% A 54 SER HB3 1.0 1.8 5.89 2466 2157 A 38 THR HG2% A 73 PRO HDx 1.0 1.8 3.95 2467 2157 A 38 THR HG2% A 73 PRO HDy 1.0 1.8 3.95 2468 2158 A 34 ILE HG2% A 73 PRO HDx 1.0 1.8 4.27 2469 2158 A 34 ILE HG2% A 73 PRO HDy 1.0 1.8 4.27 2470 2159 A 76 LEU HDy% A 77 GLU HA 1.0 1.8 4.41 2471 2160 A 48 CYS HA A 47 TYR HB3 1.0 1.8 4.61 2472 2161 A 81 GLU HA A 81 GLU HG2 1.0 1.8 3.42 2473 2162 A 27 GLY HA3 A 26 ASP HB2 1.0 1.8 5.93 2474 2163 A 34 ILE HG2% A 36 ARG HA 1.0 1.8 4.74 2475 2164 A 47 TYR HB2 A 30 VAL HGx% 1.0 1.8 4.82 2476 2165 A 44 MET HA A 55 MET HB2 1.0 1.8 5.33 2477 2166 A 47 TYR HB2 A 50 ARG HGx 1.0 1.8 4.91 2478 2166 A 50 ARG HGy A 47 TYR HB2 1.0 1.8 4.91 2479 2167 A 36 ARG HD3 A 17 HIS HB3 1.0 1.8 6.00 2480 2168 A 22 VAL HB A 47 TYR HB2 1.0 1.8 4.30 2481 2169 A 18 ILE HB A 36 ARG HD3 1.0 1.8 4.87 2482 2170 A 57 GLN HG3 A 56 ARG HDx 1.0 1.8 4.82 2483 2170 A 57 GLN HG3 A 56 ARG HDy 1.0 1.8 4.82 2484 2171 A 73 PRO HB2 A 36 ARG HD2 1.0 1.8 4.76 2485 2172 A 53 LEU HDx% A 48 CYS HBy 1.0 1.8 4.47 2486 2173 A 36 ARG HD2 A 17 HIS HB3 1.0 1.8 5.37 2487 2174 A 45 LYS HDy A 48 CYS HBx 1.0 1.8 4.50 2488 2174 A 48 CYS HBx A 45 LYS HDx 1.0 1.8 4.50 2489 2175 A 49 GLU HG2 A 48 CYS HBx 1.0 1.8 5.43 2490 2176 A 53 LEU HDx% A 48 CYS HBx 1.0 1.8 4.47 2491 2177 A 47 TYR HB3 A 43 LEU HG 1.0 1.8 5.17 2492 2178 A 22 VAL HB A 47 TYR HB3 1.0 1.8 4.52 2493 2179 A 58 ILE HD1% A 47 TYR HB3 1.0 1.8 4.99 2494 2180 A 49 GLU HG2 A 45 LYS HEx 1.0 1.8 5.24 2495 2180 A 45 LYS HEy A 49 GLU HG2 1.0 1.8 5.24 2496 2181 A 87 PHE HB2 A 89 GLN HGx 1.0 1.8 4.68 2497 2181 A 89 GLN HGy A 87 PHE HB2 1.0 1.8 4.68 2498 2182 A 7 LYS HEy A 7 LYS HBx 1.0 1.8 4.23 2499 2182 A 7 LYS HBx A 7 LYS HEx 1.0 1.8 4.23 2500 2183 A 11 LYS HEy A 11 LYS HGx 1.0 1.8 3.34 2501 2183 A 11 LYS HEx A 11 LYS HGx 1.0 1.8 3.34 2502 2183 A 11 LYS HGy A 11 LYS HEx 1.0 1.8 3.34 2503 2183 A 11 LYS HEy A 11 LYS HGy 1.0 1.8 3.34 2504 2184 A 55 MET HB2 A 45 LYS HEx 1.0 1.8 5.16 2505 2184 A 45 LYS HEy A 55 MET HB2 1.0 1.8 5.16 2506 2185 A 62 PHE HB2 A 84 ILE HG12 1.0 1.8 4.13 2507 2186 A 21 LYS HE3 A 21 LYS HG3 1.0 1.8 4.03 2508 2187 A 40 LEU HB2 A 71 ASP HB2 1.0 1.8 4.49 2509 2188 A 31 GLN HG3 A 21 LYS HE3 1.0 1.8 4.64 2510 2189 A 62 PHE HB3 A 67 ILE HG13 1.0 1.8 4.65 2511 2190 A 68 ASN HB3 A 69 GLU HG3 1.0 1.8 5.03 2512 2191 A 17 HIS HB3 A 33 LYS HBy 1.0 1.8 5.90 2513 2192 A 55 MET HB3 A 44 MET HBx 1.0 1.8 3.97 2514 2192 A 44 MET HBy A 55 MET HB3 1.0 1.8 3.97 2515 2193 A 84 ILE HG2% A 61 ARG HD2 1.0 1.8 4.83 2516 2194 A 81 GLU HB2 A 19 ASN HB2 1.0 1.8 5.00 2517 2195 A 81 GLU HB2 A 80 ASP HBx 1.0 1.8 5.54 2518 2195 A 80 ASP HBy A 81 GLU HB2 1.0 1.8 5.54 2519 2196 A 81 GLU HG2 A 19 ASN HB2 1.0 1.8 3.61 2520 2197 A 78 MET HE% A 82 ASP HBx 1.0 1.8 4.54 2521 2198 A 33 LYS HG2 A 33 LYS HEx 1.0 1.8 3.45 2522 2198 A 33 LYS HEy A 33 LYS HG2 1.0 1.8 3.45 2523 2199 A 63 ASP HB2 A 65 GLN HGx 1.0 1.8 4.46 2524 2200 A 68 ASN HB2 A 69 GLU HG3 1.0 1.8 4.57 2525 2201 A 60 PHE HB3 A 84 ILE HG12 1.0 1.8 4.43 2526 2202 A 63 ASP HB2 A 65 GLN HGy 1.0 1.8 4.46 2527 2203 A 61 ARG HG3 A 85 ASP HBx 1.0 1.8 3.57 2528 2203 A 85 ASP HBy A 61 ARG HG3 1.0 1.8 3.57 2529 2204 A 34 ILE HB A 32 PHE HB2 1.0 1.8 5.20 2530 2205 A 61 ARG HB2 A 85 ASP HBx 1.0 1.8 4.34 2531 2205 A 85 ASP HBy A 61 ARG HB2 1.0 1.8 4.34 2532 2206 A 61 ARG HG2 A 85 ASP HBx 1.0 1.8 4.47 2533 2206 A 85 ASP HBy A 61 ARG HG2 1.0 1.8 4.47 2534 2207 A 19 ASN HB3 A 33 LYS HG2 1.0 1.8 4.46 2535 2208 A 84 ILE HD1% A 85 ASP HBx 1.0 1.8 6.00 2536 2208 A 84 ILE HD1% A 85 ASP HBy 1.0 1.8 6.00 2537 2209 A 57 GLN HG2 A 56 ARG HGx 1.0 1.8 3.62 2538 2209 A 56 ARG HGy A 57 GLN HG2 1.0 1.8 3.62 2539 2210 A 45 LYS HG3 A 49 GLU HG3 1.0 1.8 4.38 2540 2211 A 46 ALA HB% A 49 GLU HG3 1.0 1.8 4.75 2541 2212 A 45 LYS HG2 A 49 GLU HG3 1.0 1.8 4.71 2542 2213 A 71 ASP HB3 A 40 LEU HDy% 1.0 1.8 5.46 2543 2214 A 57 GLN HG3 A 56 ARG HGx 1.0 1.8 3.83 2544 2214 A 56 ARG HGy A 57 GLN HG3 1.0 1.8 3.83 2545 2215 A 70 THR HG2% A 69 GLU HG3 1.0 1.8 3.48 2546 2216 A 76 LEU HDx% A 75 GLN HB3 1.0 1.8 3.96 2547 2217 A 38 THR HG2% A 39 PRO HB2 1.0 1.8 4.36 2548 2218 A 44 MET HE% A 69 GLU HG2 1.0 1.8 4.16 2549 2219 A 21 LYS HE3 A 31 GLN HG2 1.0 1.8 4.36 2550 2220 A 45 LYS HG3 A 49 GLU HG2 1.0 1.8 4.30 2551 2221 A 81 GLU HB3 A 21 LYS HDx 1.0 1.8 4.59 2552 2221 A 21 LYS HDy A 81 GLU HB3 1.0 1.8 4.59 2553 2222 A 49 GLU HG2 A 45 LYS HDx 1.0 1.8 3.57 2554 2222 A 45 LYS HDy A 49 GLU HG2 1.0 1.8 3.57 2555 2223 A 31 GLN HG2 A 29 VAL HGx% 1.0 1.8 3.69 2556 2224 A 58 ILE HG2% A 57 GLN HB3 1.0 1.8 4.17 2557 2225 A 29 VAL HGy% A 31 GLN HG2 1.0 1.8 4.46 2558 2226 A 55 MET HB2 A 48 CYS HBy 1.0 1.8 6.00 2559 2227 A 55 MET HB2 A 44 MET HBx 1.0 1.8 3.33 2560 2227 A 44 MET HBy A 55 MET HB2 1.0 1.8 3.33 2561 2228 A 45 LYS HG2 A 55 MET HE% 1.0 1.8 4.74 2562 2229 A 29 VAL HGy% A 30 VAL HB 1.0 1.8 4.75 2563 2230 A 34 ILE HD1% A 73 PRO HG3 1.0 1.8 3.99 2564 2231 A 73 PRO HG3 A 74 ALA HB% 1.0 1.8 5.21 2565 2232 A 53 LEU HDy% A 51 GLN HB3 1.0 1.8 3.52 2566 2233 A 87 PHE HB2 A 88 GLN HB2 1.0 1.8 5.60 2567 2234 A 29 VAL HB A 23 ALA HB% 1.0 1.8 3.60 2568 2235 A 38 THR HG2% A 39 PRO HG2 1.0 1.8 3.84 2569 2236 A 58 ILE HG2% A 88 GLN HB2 1.0 1.8 4.05 2570 2237 A 86 VAL HGx% A 88 GLN HB2 1.0 1.8 5.89 2571 2238 A 21 LYS HB2 A 21 LYS HE3 1.0 1.8 4.05 2572 2239 A 56 ARG HBy A 55 MET HGx 1.0 1.8 5.27 2573 2239 A 55 MET HGy A 56 ARG HBy 1.0 1.8 5.27 2574 2240 A 56 ARG HBy A 56 ARG HGx 1.0 1.8 2.75 2575 2240 A 56 ARG HGy A 56 ARG HBy 1.0 1.8 2.75 2576 2241 A 43 LEU HDy% A 44 MET HG3 1.0 1.8 5.49 2577 2242 A 45 LYS HBy A 55 MET HGx 1.0 1.8 5.11 2578 2242 A 45 LYS HBx A 55 MET HGx 1.0 1.8 5.11 2579 2242 A 55 MET HGy A 45 LYS HBx 1.0 1.8 5.11 2580 2242 A 45 LYS HBy A 55 MET HGy 1.0 1.8 5.11 2581 2243 A 55 MET HB3 A 45 LYS HBx 1.0 1.8 4.98 2582 2243 A 45 LYS HBy A 55 MET HB3 1.0 1.8 4.98 2583 2244 A 56 ARG HBx A 56 ARG HGx 1.0 1.8 2.90 2584 2244 A 56 ARG HGy A 56 ARG HBx 1.0 1.8 2.90 2585 2245 A 43 LEU HDy% A 34 ILE HB 1.0 1.8 6.00 2586 2246 A 43 LEU HDy% A 45 LYS HBx 1.0 1.8 6.00 2587 2246 A 43 LEU HDy% A 45 LYS HBy 1.0 1.8 6.00 2588 2247 A 82 ASP HBy A 78 MET HB2 1.0 1.8 4.58 2589 2248 A 50 ARG HGy A 30 VAL HGy% 1.0 1.8 3.72 2590 2248 A 30 VAL HGy% A 50 ARG HGx 1.0 1.8 3.72 2591 2249 A 76 LEU HDy% A 78 MET HB2 1.0 1.8 3.74 2592 2250 A 67 ILE HD1% A 61 ARG HB3 1.0 1.8 4.69 2593 2251 A 86 VAL HGy% A 84 ILE HB 1.0 1.8 5.38 2594 2252 A 11 LYS HDx A 11 LYS HGx 1.0 1.8 2.97 2595 2252 A 11 LYS HDy A 11 LYS HGx 1.0 1.8 2.97 2596 2252 A 11 LYS HGy A 11 LYS HDx 1.0 1.8 2.97 2597 2252 A 11 LYS HDy A 11 LYS HGy 1.0 1.8 2.97 2598 2253 A 43 LEU HDx% A 84 ILE HG13 1.0 1.8 4.91 2599 2254 A 31 GLN HG2 A 21 LYS HDx 1.0 1.8 4.87 2600 2254 A 21 LYS HDy A 31 GLN HG2 1.0 1.8 4.87 2601 2255 A 74 ALA HB% A 73 PRO HG2 1.0 1.8 3.66 2602 2256 A 33 LYS HBx A 33 LYS HEx 1.0 1.8 3.83 2603 2256 A 33 LYS HEy A 33 LYS HBx 1.0 1.8 3.83 2604 2257 A 83 THR HG2% A 21 LYS HB3 1.0 1.8 3.54 2605 2258 A 53 LEU HDy% A 53 LEU HB3 1.0 1.8 3.03 2606 2259 A 34 ILE HG2% A 34 ILE HG12 1.0 1.8 3.28 2607 2260 A 73 PRO HG3 A 34 ILE HG12 1.0 1.8 3.86 2608 2261 A 51 GLN HB3 A 53 LEU HB3 1.0 1.8 4.04 2609 2262 A 34 ILE HG2% A 20 LEU HB2 1.0 1.8 3.12 2610 2263 A 60 PHE HB2 A 67 ILE HG13 1.0 1.8 3.97 2611 2264 A 38 THR HG2% A 72 THR HG2% 1.0 1.8 4.26 2612 2265 A 82 ASP HBy A 78 MET HB3 1.0 1.8 5.14 2613 2266 A 34 ILE HG2% A 34 ILE HG13 1.0 1.8 3.65 2614 2267 A 18 ILE HG2% A 18 ILE HG13 1.0 1.8 3.31 2615 2268 A 78 MET HE% A 78 MET HB3 1.0 1.8 3.04 2616 2269 A 74 ALA HB% A 36 ARG HB2 1.0 1.8 3.76 2617 2270 A 83 THR HG2% A 21 LYS HG3 1.0 1.8 4.25 2618 2271 A 21 LYS HG2 A 31 GLN HG2 1.0 1.8 4.00 2619 2272 A 70 THR HG2% A 69 GLU HB2 1.0 1.8 4.21 2620 2273 A 58 ILE HG12 A 53 LEU HDx% 1.0 1.8 3.72 2621 2274 A 73 PRO HB2 A 78 MET HE% 1.0 1.8 4.37 2622 2275 A 78 MET HE% A 76 LEU HDy% 1.0 1.8 3.35 2623 2276 A 34 ILE HG2% A 20 LEU HB3 1.0 1.8 3.78 2624 2277 A 78 MET HE% A 84 ILE HG12 1.0 1.8 4.03 2625 2278 A 21 LYS HG2 A 83 THR HG2% 1.0 1.8 4.22 2626 2279 A 83 THR HG2% A 29 VAL HGx% 1.0 1.8 3.99 2627 2280 A 83 THR HG2% A 82 ASP HBx 1.0 1.8 5.57 2628 2281 A 83 THR HG2% A 21 LYS HE3 1.0 1.8 4.30 2629 2282 A 40 LEU HB3 A 44 MET HG3 1.0 1.8 4.60 2630 2283 A 74 ALA HB% A 36 ARG HD2 1.0 1.8 4.44 2631 2284 A 40 LEU HB3 A 69 GLU HB2 1.0 1.8 5.16 2632 2285 A 84 ILE HG2% A 84 ILE HG12 1.0 1.8 3.12 2633 2286 A 84 ILE HG2% A 62 PHE HB2 1.0 1.8 4.19 2634 2287 A 84 ILE HG2% A 22 VAL HGy% 1.0 1.8 3.48 2635 2288 A 84 ILE HG2% A 67 ILE HD1% 1.0 1.8 3.10 2636 2289 A 84 ILE HG2% A 43 LEU HDx% 1.0 1.8 4.75 2637 2290 A 21 LYS HB3 A 29 VAL HGx% 1.0 1.8 3.96 2638 2291 A 58 ILE HD1% A 53 LEU HDx% 1.0 1.8 2.87 2639 2292 A 76 LEU HDx% A 75 GLN HB2 1.0 1.8 4.01 2640 2293 A 34 ILE HD1% A 34 ILE HG2% 1.0 1.8 2.88 2641 2294 A 34 ILE HG2% A 17 HIS HB3 1.0 1.8 5.77 2642 2295 A 35 LYS HG3 A 17 HIS HB3 1.0 1.8 6.00 2643 2296 A 58 ILE HD1% A 55 MET HB3 1.0 1.8 5.87 2644 2297 A 34 ILE HD1% A 72 THR HG2% 1.0 1.8 4.77 2645 2298 A 58 ILE HG2% A 53 LEU HDy% 1.0 1.8 2.71 2646 2299 A 84 ILE HD1% A 78 MET HE% 1.0 1.8 2.61 2647 2300 A 18 ILE HD1% A 78 MET HG3 1.0 1.8 4.56 2648 2301 A 18 ILE HD1% A 73 PRO HG3 1.0 1.8 4.28 2649 2302 A 58 ILE HB A 86 VAL HGx% 1.0 1.8 3.44 2650 2303 A 20 LEU HG A 18 ILE HD1% 1.0 1.8 4.23 2651 2304 A 18 ILE HD1% A 34 ILE HG2% 1.0 1.8 3.67 2652 2305 A 86 VAL HGx% A 53 LEU HDy% 1.0 1.8 4.04 2653 2306 A 86 VAL HGx% A 25 GLN HB2 1.0 1.8 5.27 2654 2307 A 43 LEU HDx% A 40 LEU HDx% 1.0 1.8 4.05 2655 2308 A 43 LEU HDx% A 44 MET HA 1.0 1.8 5.33 2656 2309 A 43 LEU HDx% A 47 TYR HB3 1.0 1.8 5.97 2657 2310 A 43 LEU HDx% A 60 PHE HB2 1.0 1.8 5.79 2658 2311 A 43 LEU HDx% A 73 PRO HB2 1.0 1.8 5.56 2659 2312 A 43 LEU HDx% A 73 PRO HG3 1.0 1.8 4.82 2660 2313 A 43 LEU HDx% A 34 ILE HB 1.0 1.8 4.39 2661 2314 A 43 LEU HDx% A 73 PRO HB3 1.0 1.8 4.89 2662 2315 A 43 LEU HDx% A 84 ILE HB 1.0 1.8 4.76 2663 2316 A 86 VAL HGy% A 25 GLN HGx 1.0 1.8 5.75 2664 2316 A 86 VAL HGy% A 25 GLN HGy 1.0 1.8 5.75 2665 2317 A 86 VAL HGy% A 58 ILE HG12 1.0 1.8 5.59 2666 2318 A 86 VAL HGy% A 47 TYR HB3 1.0 1.8 5.50 2667 2319 A 86 VAL HGy% A 60 PHE HB2 1.0 1.8 4.61 2668 2320 A 86 VAL HGy% A 60 PHE HB3 1.0 1.8 5.00 2669 2321 A 86 VAL HGy% A 85 ASP HBx 1.0 1.8 5.16 2670 2321 A 86 VAL HGy% A 85 ASP HBy 1.0 1.8 5.16 2671 2322 A 86 VAL HGy% A 58 ILE HG13 1.0 1.8 4.66 2672 2323 A 86 VAL HGy% A 53 LEU HDy% 1.0 1.8 5.19 2673 2324 A 86 VAL HGy% A 22 VAL HGy% 1.0 1.8 4.08 2674 2325 A 40 LEU HB3 A 44 MET HG2 1.0 1.8 5.66 2675 2326 A 43 LEU HDy% A 60 PHE HB2 1.0 1.8 4.77 2676 2327 A 43 LEU HDy% A 47 TYR HB3 1.0 1.8 4.45 2677 2328 A 43 LEU HDy% A 60 PHE HB3 1.0 1.8 5.44 2678 2329 A 43 LEU HDy% A 40 LEU HG 1.0 1.8 4.39 2679 2330 A 43 LEU HDy% A 46 ALA HB% 1.0 1.8 4.90 2680 2331 A 43 LEU HDy% A 43 LEU HB2 1.0 1.8 3.65 2681 2332 A 43 LEU HDy% A 22 VAL HGy% 1.0 1.8 3.11 2682 2333 A 22 VAL HGx% A 29 VAL HB 1.0 1.8 6.00 2683 2334 A 22 VAL HGx% A 47 TYR HB2 1.0 1.8 4.37 2684 2335 A 22 VAL HGx% A 47 TYR HB3 1.0 1.8 4.91 2685 2336 A 22 VAL HGx% A 60 PHE HB2 1.0 1.8 5.86 2686 2337 A 22 VAL HGx% A 60 PHE HB3 1.0 1.8 5.60 2687 2338 A 22 VAL HGx% A 85 ASP HBx 1.0 1.8 5.79 2688 2338 A 22 VAL HGx% A 85 ASP HBy 1.0 1.8 5.79 2689 2339 A 22 VAL HGx% A 84 ILE HB 1.0 1.8 3.86 2690 2340 A 22 VAL HGx% A 51 GLN HGx 1.0 1.8 6.00 2691 2340 A 22 VAL HGx% A 51 GLN HGy 1.0 1.8 6.00 2692 2341 A 22 VAL HGx% A 84 ILE HG13 1.0 1.8 6.00 2693 2342 A 22 VAL HGx% A 21 LYS HB3 1.0 1.8 6.00 2694 2343 A 22 VAL HGx% A 46 ALA HB% 1.0 1.8 6.00 2695 2344 A 22 VAL HGx% A 86 VAL HB 1.0 1.8 3.70 2696 2345 A 22 VAL HGx% A 23 ALA HB% 1.0 1.8 4.09 2697 2346 A 22 VAL HGx% A 84 ILE HD1% 1.0 1.8 4.74 2698 2347 A 22 VAL HGx% A 43 LEU HDx% 1.0 1.8 5.38 2699 2348 A 61 ARG H A 87 PHE HE% 1.0 1.8 4.27 2700 2349 A 84 ILE H A 60 PHE HD% 1.0 1.8 5.83 2701 2350 A 84 ILE H A 29 VAL HGy% 1.0 1.8 6.00 2702 2351 A 60 PHE HB3 A 61 ARG H 1.0 1.8 5.83 2703 2352 A 63 ASP H A 85 ASP HBx 1.0 1.8 6.00 2704 2352 A 85 ASP HBy A 63 ASP H 1.0 1.8 6.00 2705 2353 A 32 PHE HE% A 20 LEU H 1.0 1.8 4.95 2706 2354 A 85 ASP H A 61 ARG HE 1.0 1.8 5.34 2707 2355 A 32 PHE HE% A 22 VAL H 1.0 1.8 4.20 2708 2356 A 32 PHE HZ A 22 VAL H 1.0 1.8 4.98 2709 2357 A 19 ASN H A 81 GLU H 1.0 1.8 4.07 2710 2358 A 32 PHE HE% A 21 LYS HA 1.0 1.8 3.99 2711 2359 A 34 ILE HA A 32 PHE HD% 1.0 1.8 4.87 2712 2360 A 34 ILE HA A 17 HIS HD2 1.0 1.8 4.32 2713 2361 A 53 LEU HA A 54 SER H 1.0 1.8 2.98 2714 2362 A 35 LYS HA A 17 HIS HD2 1.0 1.8 4.74 2715 2363 A 71 ASP H A 67 ILE HA 1.0 1.8 5.85 2716 2364 A 12 THR HB A 13 GLU H 1.0 1.8 4.14 2717 2365 A 74 ALA HA A 36 ARG HE 1.0 1.8 3.72 2718 2366 A 26 ASP HB2 A 25 GLN HE22 1.0 1.8 3.55 2719 2367 A 47 TYR HB3 A 60 PHE HZ 1.0 1.8 3.66 2720 2368 A 87 PHE HE% A 85 ASP HBx 1.0 1.8 3.38 2721 2368 A 85 ASP HBy A 87 PHE HE% 1.0 1.8 3.38 2722 2369 A 87 PHE HD% A 85 ASP HBx 1.0 1.8 3.72 2723 2369 A 85 ASP HBy A 87 PHE HD% 1.0 1.8 3.72 2724 2370 A 89 GLN H A 89 GLN HGx 1.0 1.8 4.96 2725 2370 A 89 GLN HGy A 89 GLN H 1.0 1.8 4.96 2726 2371 A 75 GLN HB2 A 72 THR H 1.0 1.8 3.17 2727 2372 A 62 PHE H A 66 PRO HB3 1.0 1.8 5.61 2728 2373 A 56 ARG HE A 56 ARG HGx 1.0 1.8 3.83 2729 2373 A 56 ARG HGy A 56 ARG HE 1.0 1.8 3.83 2730 2374 A 36 ARG HE A 18 ILE HG12 1.0 1.8 3.23 2731 2375 A 53 LEU HDx% A 52 GLY H 1.0 1.8 4.34 2732 2376 A 22 VAL HGy% A 32 PHE HZ 1.0 1.8 2.93 2733 2377 A 58 ILE HD1% A 57 GLN H 1.0 1.8 4.83 2734 2378 A 71 ASP H A 68 ASN HD22 1.0 1.8 4.61 2735 2379 A 56 ARG H A 56 ARG HE 1.0 1.8 5.51 2736 2380 A 35 LYS H A 17 HIS HD2 1.0 1.8 5.17 2737 2381 A 61 ARG H A 87 PHE HD% 1.0 1.8 4.92 2738 2382 A 47 TYR HD% A 23 ALA H 1.0 1.8 6.00 2739 2383 A 60 PHE HD% A 23 ALA H 1.0 1.8 6.00 2740 2384 A 60 PHE HE% A 60 PHE H 1.0 1.8 4.79 2741 2385 A 14 ASN H A 14 ASN HD2x 1.0 1.8 4.85 2742 2386 A 7 LYS H A 7 LYS HEx 1.0 1.8 4.84 2743 2386 A 7 LYS HEy A 7 LYS H 1.0 1.8 4.84 2744 2387 A 83 THR H A 83 THR HB 1.0 1.8 3.34 2745 2388 A 82 ASP H A 81 GLU HB3 1.0 1.8 4.79 2746 2389 A 53 LEU HDx% A 51 GLN H 1.0 1.8 4.47 2747 2390 A 46 ALA H A 47 TYR HA 1.0 1.8 5.68 2748 2391 A 38 THR H A 39 PRO HD3 1.0 1.8 4.96 2749 2392 A 32 PHE HE% A 43 LEU HA 1.0 1.8 4.09 2750 2393 A 70 THR H A 71 ASP HB2 1.0 1.8 4.41 2751 2394 A 15 ASN HD2x A 15 ASN HBx 1.0 1.8 3.99 2752 2394 A 15 ASN HBy A 15 ASN HD2x 1.0 1.8 3.99 2753 2395 A 31 GLN HE21 A 31 GLN HB2 1.0 1.8 4.91 2754 2396 A 81 GLU HG2 A 19 ASN HD21 1.0 1.8 4.85 2755 2397 A 60 PHE HA A 61 ARG HA 1.0 1.8 5.20 2756 2398 A 62 PHE HA A 61 ARG HA 1.0 1.8 5.59 2757 2399 A 24 GLY HA3 A 23 ALA HA 1.0 1.8 4.47 2758 2400 A 83 THR HA A 20 LEU HA 1.0 1.8 4.97 2759 2401 A 19 ASN HA A 20 LEU HA 1.0 1.8 4.75 2760 2402 A 81 GLU HA A 20 LEU HA 1.0 1.8 4.29 2761 2403 A 39 PRO HA A 72 THR HA 1.0 1.8 4.03 2762 2404 A 69 GLU HA A 68 ASN HA 1.0 1.8 4.52 2763 2405 A 65 GLN HA A 66 PRO HD2 1.0 1.8 3.18 2764 2406 A 66 PRO HD3 A 65 GLN HA 1.0 1.8 3.20 2765 2407 A 31 GLN HA A 21 LYS HA 1.0 1.8 3.77 2766 2408 A 34 ILE HA A 38 THR HB 1.0 1.8 4.64 2767 2409 A 75 GLN HB2 A 71 ASP HA 1.0 1.8 4.47 2768 2410 A 55 MET HA A 54 SER HA 1.0 1.8 4.55 2769 2411 A 60 PHE HA A 86 VAL HA 1.0 1.8 3.76 2770 2412 A 88 GLN HA A 89 GLN HA 1.0 1.8 4.60 2771 2413 A 88 GLN HA A 57 GLN HA 1.0 1.8 5.43 2772 2414 A 60 PHE HA A 59 ARG HA 1.0 1.8 4.44 2773 2415 A 3 ASP HA A 2 ALA HA 1.0 1.8 4.99 2774 2416 A 4 GLU HA A 3 ASP HA 1.0 1.8 5.67 2775 2417 A 57 GLN HA A 57 GLN HG2 1.0 1.8 3.36 2776 2418 A 10 VAL HA A 11 LYS HA 1.0 1.8 4.55 2777 2419 A 76 LEU HA A 75 GLN HGx 1.0 1.8 4.73 2778 2419 A 76 LEU HA A 75 GLN HGy 1.0 1.8 4.73 2779 2420 A 13 GLU HA A 13 GLU HGx 1.0 1.8 3.49 2780 2420 A 13 GLU HGy A 13 GLU HA 1.0 1.8 3.49 2781 2421 A 69 GLU HG2 A 41 SER HA 1.0 1.8 4.40 2782 2422 A 48 CYS HA A 47 TYR HB2 1.0 1.8 5.69 2783 2423 A 81 GLU HA A 21 LYS HDx 1.0 1.8 4.43 2784 2423 A 21 LYS HDy A 81 GLU HA 1.0 1.8 4.43 2785 2424 A 17 HIS HB2 A 36 ARG HD3 1.0 1.8 5.12 2786 2425 A 69 GLU HA A 71 ASP HB2 1.0 1.8 5.06 2787 2426 A 32 PHE HB2 A 33 LYS HG2 1.0 1.8 5.27 2788 2427 A 57 GLN HG2 A 54 SER HB2 1.0 1.8 3.73 2789 2428 A 55 MET HB2 A 48 CYS HBx 1.0 1.8 6.00 2790 2429 A 18 ILE HD1% A 78 MET HB2 1.0 1.8 4.57 2791 2430 A 18 ILE HD1% A 17 HIS HB2 1.0 1.8 5.78 2792 2431 A 86 VAL HGy% A 24 GLY HA3 1.0 1.8 5.17 2793 2432 A 44 MET HG2 A 69 GLU HG2 1.0 1.8 5.96 2794 2433 A 43 LEU HDy% A 47 TYR HA 1.0 1.8 5.98 2795 2434 A 43 LEU HDy% A 40 LEU HA 1.0 1.8 4.32 2796 2435 A 43 LEU HB3 A 43 LEU H 1.0 1.8 3.40 2797 2436 A 66 PRO HB3 A 87 PHE HZ 1.0 1.8 4.79 2798 2437 A 70 THR H A 69 GLU HB2 1.0 1.8 4.00 2799 2438 A 1 MET HA A 1 MET HGy 1.0 1.8 3.63 2800 2438 A 1 MET HA A 1 MET HGx 1.0 1.8 3.63 2801 2439 A 2 ALA HA A 3 ASP HBx 1.0 1.8 4.79 2802 2439 A 2 ALA HA A 3 ASP HBy 1.0 1.8 4.79 2803 2440 A 2 ALA HB% A 4 GLU HBy 1.0 1.8 4.58 2804 2440 A 2 ALA HB% A 4 GLU HBx 1.0 1.8 4.58 2805 2441 A 3 ASP H A 3 ASP HBx 1.0 1.8 2.99 2806 2441 A 3 ASP H A 3 ASP HBy 1.0 1.8 2.99 2807 2442 A 3 ASP HA A 4 GLU HBy 1.0 1.8 5.40 2808 2442 A 3 ASP HA A 4 GLU HBx 1.0 1.8 5.40 2809 2443 A 4 GLU H A 3 ASP HBx 1.0 1.8 4.03 2810 2443 A 4 GLU H A 3 ASP HBy 1.0 1.8 4.03 2811 2444 A 4 GLU HA A 3 ASP HBx 1.0 1.8 4.75 2812 2444 A 4 GLU HA A 3 ASP HBy 1.0 1.8 4.75 2813 2445 A 3 ASP HBy A 4 GLU HGx 1.0 1.8 5.23 2814 2445 A 3 ASP HBx A 4 GLU HGx 1.0 1.8 5.23 2815 2445 A 4 GLU HGy A 3 ASP HBx 1.0 1.8 5.23 2816 2445 A 4 GLU HGy A 3 ASP HBy 1.0 1.8 5.23 2817 2446 A 4 GLU H A 4 GLU HBy 1.0 1.8 3.48 2818 2446 A 4 GLU H A 4 GLU HBx 1.0 1.8 3.48 2819 2447 A 4 GLU H A 6 PRO HDy 1.0 1.8 5.79 2820 2447 A 4 GLU H A 6 PRO HDx 1.0 1.8 5.79 2821 2448 A 4 GLU HA A 6 PRO HDy 1.0 1.8 4.50 2822 2448 A 4 GLU HA A 6 PRO HDx 1.0 1.8 4.50 2823 2449 A 5 LYS H A 4 GLU HBy 1.0 1.8 4.25 2824 2449 A 5 LYS H A 4 GLU HBx 1.0 1.8 4.25 2825 2450 A 5 LYS H A 6 PRO HDy 1.0 1.8 3.91 2826 2450 A 5 LYS H A 6 PRO HDx 1.0 1.8 3.91 2827 2451 A 5 LYS HA A 6 PRO HDy 1.0 1.8 3.56 2828 2451 A 5 LYS HA A 6 PRO HDx 1.0 1.8 3.56 2829 2452 A 5 LYS HBy A 6 PRO HDy 1.0 1.8 3.96 2830 2452 A 5 LYS HBx A 6 PRO HDy 1.0 1.8 3.96 2831 2452 A 6 PRO HDx A 5 LYS HBx 1.0 1.8 3.96 2832 2452 A 5 LYS HBy A 6 PRO HDx 1.0 1.8 3.96 2833 2453 A 5 LYS HGx A 6 PRO HDy 1.0 1.8 4.32 2834 2453 A 5 LYS HGy A 6 PRO HDy 1.0 1.8 4.32 2835 2453 A 6 PRO HDx A 5 LYS HGx 1.0 1.8 4.32 2836 2453 A 5 LYS HGy A 6 PRO HDx 1.0 1.8 4.32 2837 2454 A 5 LYS HDy A 6 PRO HDy 1.0 1.8 5.02 2838 2454 A 5 LYS HDx A 6 PRO HDy 1.0 1.8 5.02 2839 2454 A 6 PRO HDx A 5 LYS HDx 1.0 1.8 5.02 2840 2454 A 5 LYS HDy A 6 PRO HDx 1.0 1.8 5.02 2841 2455 A 5 LYS HEy A 6 PRO HDy 1.0 1.8 5.66 2842 2455 A 5 LYS HEx A 6 PRO HDy 1.0 1.8 5.66 2843 2455 A 6 PRO HDx A 5 LYS HEx 1.0 1.8 5.66 2844 2455 A 5 LYS HEy A 6 PRO HDx 1.0 1.8 5.66 2845 2456 A 8 GLU H A 6 PRO HDy 1.0 1.8 5.81 2846 2456 A 8 GLU H A 6 PRO HDx 1.0 1.8 5.81 2847 2457 A 7 LYS H A 7 LYS HBy 1.0 1.8 2.95 2848 2457 A 7 LYS H A 7 LYS HBx 1.0 1.8 2.95 2849 2458 A 7 LYS HBy A 7 LYS HGx 1.0 1.8 2.37 2850 2458 A 7 LYS HBx A 7 LYS HGx 1.0 1.8 2.37 2851 2458 A 7 LYS HGy A 7 LYS HBy 1.0 1.8 2.37 2852 2458 A 7 LYS HGy A 7 LYS HBx 1.0 1.8 2.37 2853 2459 A 7 LYS HBx A 7 LYS HDx 1.0 1.8 2.72 2854 2459 A 7 LYS HBy A 7 LYS HDx 1.0 1.8 2.72 2855 2459 A 7 LYS HDy A 7 LYS HBy 1.0 1.8 2.72 2856 2459 A 7 LYS HDy A 7 LYS HBx 1.0 1.8 2.72 2857 2460 A 7 LYS HBx A 7 LYS HEx 1.0 1.8 3.67 2858 2460 A 7 LYS HBy A 7 LYS HEx 1.0 1.8 3.67 2859 2460 A 7 LYS HEy A 7 LYS HBy 1.0 1.8 3.67 2860 2460 A 7 LYS HEy A 7 LYS HBx 1.0 1.8 3.67 2861 2461 A 10 VAL H A 11 LYS HBx 1.0 1.8 5.81 2862 2461 A 10 VAL H A 11 LYS HBy 1.0 1.8 5.81 2863 2462 A 11 LYS H A 11 LYS HBx 1.0 1.8 2.90 2864 2462 A 11 LYS H A 11 LYS HBy 1.0 1.8 2.90 2865 2463 A 11 LYS HBx A 11 LYS HEx 1.0 1.8 4.22 2866 2463 A 11 LYS HBy A 11 LYS HEx 1.0 1.8 4.22 2867 2463 A 11 LYS HEy A 11 LYS HBx 1.0 1.8 4.22 2868 2463 A 11 LYS HEy A 11 LYS HBy 1.0 1.8 4.22 2869 2464 A 12 THR H A 11 LYS HBx 1.0 1.8 3.92 2870 2464 A 12 THR H A 11 LYS HBy 1.0 1.8 3.92 2871 2465 A 12 THR HB A 11 LYS HBx 1.0 1.8 5.58 2872 2465 A 12 THR HB A 11 LYS HBy 1.0 1.8 5.58 2873 2466 A 13 GLU HBy A 14 ASN HBy 1.0 1.8 5.53 2874 2466 A 13 GLU HBx A 14 ASN HBy 1.0 1.8 5.53 2875 2466 A 14 ASN HBx A 13 GLU HBx 1.0 1.8 5.53 2876 2466 A 13 GLU HBy A 14 ASN HBx 1.0 1.8 5.53 2877 2467 A 14 ASN H A 15 ASN HD2y 1.0 1.8 4.71 2878 2467 A 14 ASN H A 15 ASN HD2x 1.0 1.8 4.71 2879 2468 A 15 ASN H A 14 ASN HBy 1.0 1.8 3.57 2880 2468 A 15 ASN H A 14 ASN HBx 1.0 1.8 3.57 2881 2469 A 15 ASN HD2x A 14 ASN HBx 1.0 1.8 5.52 2882 2469 A 15 ASN HD2y A 14 ASN HBy 1.0 1.8 5.52 2883 2469 A 15 ASN HD2y A 14 ASN HBx 1.0 1.8 5.52 2884 2469 A 15 ASN HD2x A 14 ASN HBy 1.0 1.8 5.52 2885 2470 A 15 ASN H A 15 ASN HD2y 1.0 1.8 5.33 2886 2470 A 15 ASN H A 15 ASN HD2x 1.0 1.8 5.33 2887 2471 A 15 ASN HD2y A 15 ASN HA 1.0 1.8 4.15 2888 2471 A 15 ASN HD2x A 15 ASN HA 1.0 1.8 4.15 2889 2472 A 15 ASN HBy A 15 ASN HD2x 1.0 1.8 3.36 2890 2472 A 15 ASN HD2x A 15 ASN HBx 1.0 1.8 3.36 2891 2472 A 15 ASN HBy A 15 ASN HD2y 1.0 1.8 3.36 2892 2472 A 15 ASN HD2y A 15 ASN HBx 1.0 1.8 3.36 2893 2473 A 18 ILE HB A 20 LEU HDy% 1.0 1.8 3.56 2894 2473 A 18 ILE HB A 20 LEU HDx% 1.0 1.8 3.56 2895 2474 A 18 ILE HD1% A 20 LEU HDy% 1.0 1.8 2.83 2896 2474 A 18 ILE HD1% A 20 LEU HDx% 1.0 1.8 2.83 2897 2475 A 19 ASN HA A 20 LEU HDy% 1.0 1.8 4.37 2898 2475 A 19 ASN HA A 20 LEU HDx% 1.0 1.8 4.37 2899 2476 A 19 ASN HB2 A 20 LEU HDy% 1.0 1.8 5.03 2900 2476 A 19 ASN HB2 A 20 LEU HDx% 1.0 1.8 5.03 2901 2477 A 19 ASN HB3 A 20 LEU HDy% 1.0 1.8 4.97 2902 2477 A 19 ASN HB3 A 20 LEU HDx% 1.0 1.8 4.97 2903 2478 A 20 LEU H A 20 LEU HDy% 1.0 1.8 3.77 2904 2478 A 20 LEU H A 20 LEU HDx% 1.0 1.8 3.77 2905 2479 A 20 LEU HA A 20 LEU HDy% 1.0 1.8 2.99 2906 2479 A 20 LEU HA A 20 LEU HDx% 1.0 1.8 2.99 2907 2480 A 20 LEU HB3 A 20 LEU HDy% 1.0 1.8 2.80 2908 2480 A 20 LEU HB3 A 20 LEU HDx% 1.0 1.8 2.80 2909 2481 A 21 LYS H A 20 LEU HDy% 1.0 1.8 4.10 2910 2481 A 21 LYS H A 20 LEU HDx% 1.0 1.8 4.10 2911 2482 A 32 PHE HE% A 20 LEU HDy% 1.0 1.8 4.49 2912 2482 A 32 PHE HE% A 20 LEU HDx% 1.0 1.8 4.49 2913 2483 A 33 LYS HA A 20 LEU HDy% 1.0 1.8 4.47 2914 2483 A 33 LYS HA A 20 LEU HDx% 1.0 1.8 4.47 2915 2484 A 34 ILE H A 20 LEU HDy% 1.0 1.8 5.92 2916 2484 A 34 ILE H A 20 LEU HDx% 1.0 1.8 5.92 2917 2485 A 34 ILE HG2% A 20 LEU HDy% 1.0 1.8 2.57 2918 2485 A 34 ILE HG2% A 20 LEU HDx% 1.0 1.8 2.57 2919 2486 A 43 LEU HDx% A 20 LEU HDy% 1.0 1.8 3.71 2920 2486 A 43 LEU HDx% A 20 LEU HDx% 1.0 1.8 3.71 2921 2487 A 73 PRO HB2 A 20 LEU HDy% 1.0 1.8 5.08 2922 2487 A 73 PRO HB2 A 20 LEU HDx% 1.0 1.8 5.08 2923 2488 A 73 PRO HB3 A 20 LEU HDy% 1.0 1.8 3.34 2924 2488 A 73 PRO HB3 A 20 LEU HDx% 1.0 1.8 3.34 2925 2489 A 78 MET HB2 A 20 LEU HDy% 1.0 1.8 4.94 2926 2489 A 78 MET HB2 A 20 LEU HDx% 1.0 1.8 4.94 2927 2490 A 78 MET HE% A 20 LEU HDy% 1.0 1.8 3.45 2928 2490 A 78 MET HE% A 20 LEU HDx% 1.0 1.8 3.45 2929 2491 A 80 ASP HA A 20 LEU HDy% 1.0 1.8 4.70 2930 2491 A 80 ASP HA A 20 LEU HDx% 1.0 1.8 4.70 2931 2492 A 81 GLU H A 20 LEU HDy% 1.0 1.8 3.96 2932 2492 A 81 GLU H A 20 LEU HDx% 1.0 1.8 3.96 2933 2493 A 82 ASP H A 20 LEU HDy% 1.0 1.8 3.63 2934 2493 A 82 ASP H A 20 LEU HDx% 1.0 1.8 3.63 2935 2494 A 82 ASP HBy A 20 LEU HDy% 1.0 1.8 4.01 2936 2494 A 82 ASP HBy A 20 LEU HDx% 1.0 1.8 4.01 2937 2495 A 82 ASP HBx A 20 LEU HDy% 1.0 1.8 4.29 2938 2495 A 82 ASP HBx A 20 LEU HDx% 1.0 1.8 4.29 2939 2496 A 83 THR HB A 20 LEU HDy% 1.0 1.8 5.92 2940 2496 A 83 THR HB A 20 LEU HDx% 1.0 1.8 5.92 2941 2497 A 22 VAL H A 30 VAL HGy% 1.0 1.8 4.03 2942 2497 A 22 VAL H A 30 VAL HGx% 1.0 1.8 4.03 2943 2498 A 22 VAL HB A 30 VAL HGy% 1.0 1.8 4.13 2944 2498 A 22 VAL HB A 30 VAL HGx% 1.0 1.8 4.13 2945 2499 A 22 VAL HGx% A 30 VAL HGy% 1.0 1.8 4.16 2946 2499 A 22 VAL HGx% A 30 VAL HGx% 1.0 1.8 4.16 2947 2500 A 25 GLN H A 88 GLN HGy 1.0 1.8 5.33 2948 2500 A 25 GLN H A 88 GLN HGx 1.0 1.8 5.33 2949 2501 A 25 GLN HE22 A 88 GLN HGy 1.0 1.8 5.45 2950 2501 A 25 GLN HE22 A 88 GLN HGx 1.0 1.8 5.45 2951 2502 A 26 ASP HB2 A 28 SER HBy 1.0 1.8 5.10 2952 2502 A 26 ASP HB2 A 28 SER HBx 1.0 1.8 5.10 2953 2503 A 26 ASP HB3 A 28 SER HBy 1.0 1.8 5.14 2954 2503 A 26 ASP HB3 A 28 SER HBx 1.0 1.8 5.14 2955 2504 A 27 GLY H A 28 SER HBy 1.0 1.8 4.26 2956 2504 A 27 GLY H A 28 SER HBx 1.0 1.8 4.26 2957 2505 A 28 SER H A 28 SER HBy 1.0 1.8 2.99 2958 2505 A 28 SER H A 28 SER HBx 1.0 1.8 2.99 2959 2506 A 29 VAL H A 28 SER HBy 1.0 1.8 3.14 2960 2506 A 29 VAL H A 28 SER HBx 1.0 1.8 3.14 2961 2507 A 29 VAL HA A 30 VAL HGy% 1.0 1.8 3.97 2962 2507 A 29 VAL HA A 30 VAL HGx% 1.0 1.8 3.97 2963 2508 A 30 VAL H A 30 VAL HGy% 1.0 1.8 3.07 2964 2508 A 30 VAL H A 30 VAL HGx% 1.0 1.8 3.07 2965 2509 A 30 VAL HA A 30 VAL HGy% 1.0 1.8 2.77 2966 2509 A 30 VAL HA A 30 VAL HGx% 1.0 1.8 2.77 2967 2510 A 31 GLN H A 30 VAL HGy% 1.0 1.8 3.02 2968 2510 A 31 GLN H A 30 VAL HGx% 1.0 1.8 3.02 2969 2511 A 31 GLN HA A 30 VAL HGy% 1.0 1.8 4.05 2970 2511 A 31 GLN HA A 30 VAL HGx% 1.0 1.8 4.05 2971 2512 A 31 GLN HB3 A 30 VAL HGy% 1.0 1.8 5.15 2972 2512 A 31 GLN HB3 A 30 VAL HGx% 1.0 1.8 5.15 2973 2513 A 31 GLN HG2 A 30 VAL HGy% 1.0 1.8 4.65 2974 2513 A 31 GLN HG2 A 30 VAL HGx% 1.0 1.8 4.65 2975 2514 A 32 PHE H A 30 VAL HGy% 1.0 1.8 4.83 2976 2514 A 32 PHE H A 30 VAL HGx% 1.0 1.8 4.83 2977 2515 A 32 PHE HB2 A 30 VAL HGy% 1.0 1.8 5.92 2978 2515 A 32 PHE HB2 A 30 VAL HGx% 1.0 1.8 5.92 2979 2516 A 32 PHE HB3 A 30 VAL HGy% 1.0 1.8 3.93 2980 2516 A 32 PHE HB3 A 30 VAL HGx% 1.0 1.8 3.93 2981 2517 A 32 PHE HD% A 30 VAL HGy% 1.0 1.8 3.23 2982 2517 A 32 PHE HD% A 30 VAL HGx% 1.0 1.8 3.23 2983 2518 A 47 TYR H A 30 VAL HGy% 1.0 1.8 5.56 2984 2518 A 47 TYR H A 30 VAL HGx% 1.0 1.8 5.56 2985 2519 A 47 TYR HA A 30 VAL HGy% 1.0 1.8 3.46 2986 2519 A 47 TYR HA A 30 VAL HGx% 1.0 1.8 3.46 2987 2520 A 47 TYR HB2 A 30 VAL HGy% 1.0 1.8 4.23 2988 2520 A 47 TYR HB2 A 30 VAL HGx% 1.0 1.8 4.23 2989 2521 A 47 TYR HB3 A 30 VAL HGy% 1.0 1.8 5.13 2990 2521 A 47 TYR HB3 A 30 VAL HGx% 1.0 1.8 5.13 2991 2522 A 47 TYR HD% A 30 VAL HGy% 1.0 1.8 3.33 2992 2522 A 47 TYR HD% A 30 VAL HGx% 1.0 1.8 3.33 2993 2523 A 47 TYR HE% A 30 VAL HGy% 1.0 1.8 3.48 2994 2523 A 47 TYR HE% A 30 VAL HGx% 1.0 1.8 3.48 2995 2524 A 50 ARG H A 30 VAL HGy% 1.0 1.8 4.88 2996 2524 A 50 ARG H A 30 VAL HGx% 1.0 1.8 4.88 2997 2525 A 50 ARG HB2 A 30 VAL HGy% 1.0 1.8 3.61 2998 2525 A 50 ARG HB2 A 30 VAL HGx% 1.0 1.8 3.61 2999 2526 A 50 ARG HB3 A 30 VAL HGy% 1.0 1.8 4.50 3000 2526 A 50 ARG HB3 A 30 VAL HGx% 1.0 1.8 4.50 3001 2527 A 30 VAL HGy% A 50 ARG HGx 1.0 1.8 3.04 3002 2527 A 30 VAL HGx% A 50 ARG HGx 1.0 1.8 3.04 3003 2527 A 50 ARG HGy A 30 VAL HGy% 1.0 1.8 3.04 3004 2527 A 50 ARG HGy A 30 VAL HGx% 1.0 1.8 3.04 3005 2528 A 30 VAL HGx% A 50 ARG HDy 1.0 1.8 3.50 3006 2528 A 30 VAL HGy% A 50 ARG HDy 1.0 1.8 3.50 3007 2528 A 50 ARG HDx A 30 VAL HGy% 1.0 1.8 3.50 3008 2528 A 30 VAL HGx% A 50 ARG HDx 1.0 1.8 3.50 3009 2529 A 51 GLN H A 30 VAL HGy% 1.0 1.8 4.76 3010 2529 A 51 GLN H A 30 VAL HGx% 1.0 1.8 4.76 3011 2530 A 51 GLN HE21 A 30 VAL HGy% 1.0 1.8 3.94 3012 2530 A 51 GLN HE21 A 30 VAL HGx% 1.0 1.8 3.94 3013 2531 A 51 GLN HE22 A 30 VAL HGy% 1.0 1.8 3.89 3014 2531 A 51 GLN HE22 A 30 VAL HGx% 1.0 1.8 3.89 3015 2532 A 34 ILE HD1% A 40 LEU HDy% 1.0 1.8 2.91 3016 2532 A 34 ILE HD1% A 40 LEU HDx% 1.0 1.8 2.91 3017 2533 A 35 LYS HA A 35 LYS HEy 1.0 1.8 5.29 3018 2533 A 35 LYS HA A 35 LYS HEx 1.0 1.8 5.29 3019 2534 A 35 LYS HB2 A 35 LYS HEy 1.0 1.8 3.62 3020 2534 A 35 LYS HB2 A 35 LYS HEx 1.0 1.8 3.62 3021 2535 A 35 LYS HB2 A 37 HIS HBx 1.0 1.8 5.29 3022 2535 A 35 LYS HB2 A 37 HIS HBy 1.0 1.8 5.29 3023 2536 A 35 LYS HB3 A 35 LYS HEy 1.0 1.8 4.85 3024 2536 A 35 LYS HB3 A 35 LYS HEx 1.0 1.8 4.85 3025 2537 A 35 LYS HG2 A 35 LYS HEy 1.0 1.8 3.56 3026 2537 A 35 LYS HG2 A 35 LYS HEx 1.0 1.8 3.56 3027 2538 A 35 LYS HG3 A 35 LYS HEy 1.0 1.8 3.40 3028 2538 A 35 LYS HG3 A 35 LYS HEx 1.0 1.8 3.40 3029 2539 A 35 LYS HG3 A 37 HIS HBx 1.0 1.8 5.81 3030 2539 A 35 LYS HG3 A 37 HIS HBy 1.0 1.8 5.81 3031 2540 A 38 THR HA A 35 LYS HEy 1.0 1.8 4.90 3032 2540 A 38 THR HA A 35 LYS HEx 1.0 1.8 4.90 3033 2541 A 38 THR HB A 35 LYS HEy 1.0 1.8 4.51 3034 2541 A 38 THR HB A 35 LYS HEx 1.0 1.8 4.51 3035 2542 A 36 ARG HB3 A 37 HIS HBx 1.0 1.8 5.81 3036 2542 A 36 ARG HB3 A 37 HIS HBy 1.0 1.8 5.81 3037 2543 A 38 THR H A 37 HIS HBx 1.0 1.8 3.98 3038 2543 A 38 THR H A 37 HIS HBy 1.0 1.8 3.98 3039 2544 A 38 THR HB A 37 HIS HBx 1.0 1.8 5.25 3040 2544 A 38 THR HB A 37 HIS HBy 1.0 1.8 5.25 3041 2545 A 38 THR HB A 40 LEU HDy% 1.0 1.8 5.92 3042 2545 A 38 THR HB A 40 LEU HDx% 1.0 1.8 5.92 3043 2546 A 39 PRO HB2 A 40 LEU HDy% 1.0 1.8 5.60 3044 2546 A 39 PRO HB2 A 40 LEU HDx% 1.0 1.8 5.60 3045 2547 A 40 LEU H A 40 LEU HDy% 1.0 1.8 3.37 3046 2547 A 40 LEU H A 40 LEU HDx% 1.0 1.8 3.37 3047 2548 A 40 LEU HA A 40 LEU HDy% 1.0 1.8 2.93 3048 2548 A 40 LEU HA A 40 LEU HDx% 1.0 1.8 2.93 3049 2549 A 40 LEU HB2 A 40 LEU HDy% 1.0 1.8 2.92 3050 2549 A 40 LEU HB2 A 40 LEU HDx% 1.0 1.8 2.92 3051 2550 A 40 LEU HB3 A 40 LEU HDy% 1.0 1.8 3.02 3052 2550 A 40 LEU HB3 A 40 LEU HDx% 1.0 1.8 3.02 3053 2551 A 41 SER H A 40 LEU HDy% 1.0 1.8 4.87 3054 2551 A 41 SER H A 40 LEU HDx% 1.0 1.8 4.87 3055 2552 A 41 SER HA A 40 LEU HDy% 1.0 1.8 5.92 3056 2552 A 41 SER HA A 40 LEU HDx% 1.0 1.8 5.92 3057 2553 A 43 LEU H A 40 LEU HDy% 1.0 1.8 4.54 3058 2553 A 43 LEU H A 40 LEU HDx% 1.0 1.8 4.54 3059 2554 A 43 LEU HA A 40 LEU HDy% 1.0 1.8 5.56 3060 2554 A 43 LEU HA A 40 LEU HDx% 1.0 1.8 5.56 3061 2555 A 43 LEU HB2 A 40 LEU HDy% 1.0 1.8 3.66 3062 2555 A 43 LEU HB2 A 40 LEU HDx% 1.0 1.8 3.66 3063 2556 A 43 LEU HB3 A 40 LEU HDy% 1.0 1.8 3.40 3064 2556 A 43 LEU HB3 A 40 LEU HDx% 1.0 1.8 3.40 3065 2557 A 43 LEU HDx% A 40 LEU HDy% 1.0 1.8 3.12 3066 2557 A 43 LEU HDx% A 40 LEU HDx% 1.0 1.8 3.12 3067 2558 A 43 LEU HDy% A 40 LEU HDy% 1.0 1.8 3.81 3068 2558 A 43 LEU HDy% A 40 LEU HDx% 1.0 1.8 3.81 3069 2559 A 44 MET H A 40 LEU HDy% 1.0 1.8 5.06 3070 2559 A 44 MET H A 40 LEU HDx% 1.0 1.8 5.06 3071 2560 A 44 MET HE% A 40 LEU HDy% 1.0 1.8 3.62 3072 2560 A 44 MET HE% A 40 LEU HDx% 1.0 1.8 3.62 3073 2561 A 67 ILE HA A 40 LEU HDy% 1.0 1.8 4.75 3074 2561 A 67 ILE HA A 40 LEU HDx% 1.0 1.8 4.75 3075 2562 A 67 ILE HB A 40 LEU HDy% 1.0 1.8 3.76 3076 2562 A 67 ILE HB A 40 LEU HDx% 1.0 1.8 3.76 3077 2563 A 67 ILE HG2% A 40 LEU HDy% 1.0 1.8 3.14 3078 2563 A 67 ILE HG2% A 40 LEU HDx% 1.0 1.8 3.14 3079 2564 A 67 ILE HG12 A 40 LEU HDy% 1.0 1.8 3.36 3080 2564 A 67 ILE HG12 A 40 LEU HDx% 1.0 1.8 3.36 3081 2565 A 67 ILE HG13 A 40 LEU HDy% 1.0 1.8 4.15 3082 2565 A 67 ILE HG13 A 40 LEU HDx% 1.0 1.8 4.15 3083 2566 A 68 ASN H A 40 LEU HDy% 1.0 1.8 4.92 3084 2566 A 68 ASN H A 40 LEU HDx% 1.0 1.8 4.92 3085 2567 A 69 GLU HA A 40 LEU HDy% 1.0 1.8 4.96 3086 2567 A 69 GLU HA A 40 LEU HDx% 1.0 1.8 4.96 3087 2568 A 71 ASP H A 40 LEU HDy% 1.0 1.8 4.04 3088 2568 A 71 ASP H A 40 LEU HDx% 1.0 1.8 4.04 3089 2569 A 71 ASP HB2 A 40 LEU HDy% 1.0 1.8 3.82 3090 2569 A 71 ASP HB2 A 40 LEU HDx% 1.0 1.8 3.82 3091 2570 A 71 ASP HB3 A 40 LEU HDy% 1.0 1.8 3.92 3092 2570 A 71 ASP HB3 A 40 LEU HDx% 1.0 1.8 3.92 3093 2571 A 72 THR H A 40 LEU HDy% 1.0 1.8 4.50 3094 2571 A 72 THR H A 40 LEU HDx% 1.0 1.8 4.50 3095 2572 A 72 THR HB A 40 LEU HDy% 1.0 1.8 5.08 3096 2572 A 72 THR HB A 40 LEU HDx% 1.0 1.8 5.08 3097 2573 A 72 THR HG2% A 40 LEU HDy% 1.0 1.8 4.61 3098 2573 A 72 THR HG2% A 40 LEU HDx% 1.0 1.8 4.61 3099 2574 A 73 PRO HA A 40 LEU HDy% 1.0 1.8 3.60 3100 2574 A 73 PRO HA A 40 LEU HDx% 1.0 1.8 3.60 3101 2575 A 73 PRO HB2 A 40 LEU HDy% 1.0 1.8 4.58 3102 2575 A 73 PRO HB2 A 40 LEU HDx% 1.0 1.8 4.58 3103 2576 A 73 PRO HB3 A 40 LEU HDy% 1.0 1.8 3.84 3104 2576 A 73 PRO HB3 A 40 LEU HDx% 1.0 1.8 3.84 3105 2577 A 73 PRO HG3 A 40 LEU HDy% 1.0 1.8 3.70 3106 2577 A 73 PRO HG3 A 40 LEU HDx% 1.0 1.8 3.70 3107 2578 A 40 LEU HDy% A 73 PRO HDx 1.0 1.8 3.61 3108 2578 A 40 LEU HDx% A 73 PRO HDx 1.0 1.8 3.61 3109 2578 A 73 PRO HDy A 40 LEU HDy% 1.0 1.8 3.61 3110 2578 A 73 PRO HDy A 40 LEU HDx% 1.0 1.8 3.61 3111 2579 A 74 ALA H A 40 LEU HDy% 1.0 1.8 5.82 3112 2579 A 74 ALA H A 40 LEU HDx% 1.0 1.8 5.82 3113 2580 A 75 GLN HB3 A 40 LEU HDy% 1.0 1.8 5.92 3114 2580 A 75 GLN HB3 A 40 LEU HDx% 1.0 1.8 5.92 3115 2581 A 76 LEU HG A 40 LEU HDy% 1.0 1.8 5.38 3116 2581 A 76 LEU HG A 40 LEU HDx% 1.0 1.8 5.38 3117 2582 A 76 LEU HDx% A 40 LEU HDy% 1.0 1.8 4.00 3118 2582 A 76 LEU HDx% A 40 LEU HDx% 1.0 1.8 4.00 3119 2583 A 76 LEU HDy% A 40 LEU HDy% 1.0 1.8 4.27 3120 2583 A 76 LEU HDy% A 40 LEU HDx% 1.0 1.8 4.27 3121 2584 A 45 LYS H A 48 CYS HBy 1.0 1.8 4.82 3122 2584 A 45 LYS H A 48 CYS HBx 1.0 1.8 4.82 3123 2585 A 45 LYS HA A 48 CYS HBy 1.0 1.8 3.46 3124 2585 A 45 LYS HA A 48 CYS HBx 1.0 1.8 3.46 3125 2586 A 45 LYS HBx A 48 CYS HBy 1.0 1.8 4.65 3126 2586 A 45 LYS HBy A 48 CYS HBy 1.0 1.8 4.65 3127 2586 A 48 CYS HBx A 45 LYS HBx 1.0 1.8 4.65 3128 2586 A 45 LYS HBy A 48 CYS HBx 1.0 1.8 4.65 3129 2587 A 45 LYS HG2 A 48 CYS HBy 1.0 1.8 5.81 3130 2587 A 45 LYS HG2 A 48 CYS HBx 1.0 1.8 5.81 3131 2588 A 45 LYS HDy A 48 CYS HBy 1.0 1.8 3.69 3132 2588 A 45 LYS HDx A 48 CYS HBy 1.0 1.8 3.69 3133 2588 A 48 CYS HBx A 45 LYS HDx 1.0 1.8 3.69 3134 2588 A 45 LYS HDy A 48 CYS HBx 1.0 1.8 3.69 3135 2589 A 45 LYS HEy A 48 CYS HBy 1.0 1.8 4.87 3136 2589 A 48 CYS HBx A 45 LYS HEx 1.0 1.8 4.87 3137 2589 A 45 LYS HEy A 48 CYS HBx 1.0 1.8 4.87 3138 2589 A 45 LYS HEx A 48 CYS HBy 1.0 1.8 4.87 3139 2590 A 46 ALA HA A 48 CYS HBy 1.0 1.8 5.41 3140 2590 A 46 ALA HA A 48 CYS HBx 1.0 1.8 5.41 3141 2591 A 46 ALA HA A 50 ARG HDy 1.0 1.8 5.81 3142 2591 A 46 ALA HA A 50 ARG HDx 1.0 1.8 5.81 3143 2592 A 47 TYR H A 48 CYS HBy 1.0 1.8 4.73 3144 2592 A 47 TYR H A 48 CYS HBx 1.0 1.8 4.73 3145 2593 A 47 TYR HD% A 48 CYS HBy 1.0 1.8 4.14 3146 2593 A 47 TYR HD% A 48 CYS HBx 1.0 1.8 4.14 3147 2594 A 47 TYR HE% A 48 CYS HBy 1.0 1.8 5.63 3148 2594 A 47 TYR HE% A 48 CYS HBx 1.0 1.8 5.63 3149 2595 A 48 CYS H A 48 CYS HBy 1.0 1.8 3.08 3150 2595 A 48 CYS H A 48 CYS HBx 1.0 1.8 3.08 3151 2596 A 49 GLU H A 48 CYS HBy 1.0 1.8 3.80 3152 2596 A 49 GLU H A 48 CYS HBx 1.0 1.8 3.80 3153 2597 A 49 GLU HB2 A 48 CYS HBy 1.0 1.8 5.81 3154 2597 A 49 GLU HB2 A 48 CYS HBx 1.0 1.8 5.81 3155 2598 A 49 GLU HG2 A 48 CYS HBy 1.0 1.8 4.57 3156 2598 A 49 GLU HG2 A 48 CYS HBx 1.0 1.8 4.57 3157 2599 A 49 GLU HG3 A 48 CYS HBy 1.0 1.8 5.08 3158 2599 A 49 GLU HG3 A 48 CYS HBx 1.0 1.8 5.08 3159 2600 A 51 GLN H A 48 CYS HBy 1.0 1.8 5.81 3160 2600 A 51 GLN H A 48 CYS HBx 1.0 1.8 5.81 3161 2601 A 53 LEU H A 48 CYS HBy 1.0 1.8 4.85 3162 2601 A 53 LEU H A 48 CYS HBx 1.0 1.8 4.85 3163 2602 A 53 LEU HG A 48 CYS HBy 1.0 1.8 5.81 3164 2602 A 53 LEU HG A 48 CYS HBx 1.0 1.8 5.81 3165 2603 A 54 SER H A 48 CYS HBy 1.0 1.8 5.24 3166 2603 A 54 SER H A 48 CYS HBx 1.0 1.8 5.24 3167 2604 A 54 SER HA A 48 CYS HBy 1.0 1.8 4.83 3168 2604 A 54 SER HA A 48 CYS HBx 1.0 1.8 4.83 3169 2605 A 55 MET H A 48 CYS HBy 1.0 1.8 4.92 3170 2605 A 55 MET H A 48 CYS HBx 1.0 1.8 4.92 3171 2606 A 55 MET HA A 48 CYS HBy 1.0 1.8 4.50 3172 2606 A 55 MET HA A 48 CYS HBx 1.0 1.8 4.50 3173 2607 A 55 MET HB2 A 48 CYS HBy 1.0 1.8 5.29 3174 2607 A 55 MET HB2 A 48 CYS HBx 1.0 1.8 5.29 3175 2608 A 55 MET HB3 A 48 CYS HBy 1.0 1.8 4.24 3176 2608 A 55 MET HB3 A 48 CYS HBx 1.0 1.8 4.24 3177 2609 A 55 MET HE% A 48 CYS HBy 1.0 1.8 3.99 3178 2609 A 55 MET HE% A 48 CYS HBx 1.0 1.8 3.99 3179 2610 A 58 ILE HG13 A 48 CYS HBy 1.0 1.8 5.81 3180 2610 A 58 ILE HG13 A 48 CYS HBx 1.0 1.8 5.81 3181 2611 A 58 ILE HD1% A 48 CYS HBy 1.0 1.8 5.12 3182 2611 A 58 ILE HD1% A 48 CYS HBx 1.0 1.8 5.12 3183 2612 A 60 PHE HZ A 48 CYS HBy 1.0 1.8 4.85 3184 2612 A 60 PHE HZ A 48 CYS HBx 1.0 1.8 4.85 3185 2613 A 49 GLU HB2 A 50 ARG HDy 1.0 1.8 5.21 3186 2613 A 49 GLU HB2 A 50 ARG HDx 1.0 1.8 5.21 3187 2614 A 50 ARG H A 50 ARG HDy 1.0 1.8 4.17 3188 2614 A 50 ARG H A 50 ARG HDx 1.0 1.8 4.17 3189 2615 A 50 ARG HB2 A 50 ARG HDy 1.0 1.8 3.64 3190 2615 A 50 ARG HB2 A 50 ARG HDx 1.0 1.8 3.64 3191 2616 A 50 ARG HB3 A 50 ARG HDy 1.0 1.8 3.52 3192 2616 A 50 ARG HB3 A 50 ARG HDx 1.0 1.8 3.52 3193 2617 A 51 GLN H A 50 ARG HDy 1.0 1.8 5.25 3194 2617 A 51 GLN H A 50 ARG HDx 1.0 1.8 5.25 3195 2618 A 51 GLN HE21 A 50 ARG HDy 1.0 1.8 5.81 3196 2618 A 51 GLN HE21 A 50 ARG HDx 1.0 1.8 5.81 3197 2619 A 53 LEU HDy% A 88 GLN HGy 1.0 1.8 3.91 3198 2619 A 53 LEU HDy% A 88 GLN HGx 1.0 1.8 3.91 3199 2620 A 58 ILE HA A 88 GLN HGy 1.0 1.8 4.17 3200 2620 A 58 ILE HA A 88 GLN HGx 1.0 1.8 4.17 3201 2621 A 58 ILE HB A 88 GLN HGy 1.0 1.8 4.06 3202 2621 A 58 ILE HB A 88 GLN HGx 1.0 1.8 4.06 3203 2622 A 58 ILE HG2% A 88 GLN HGy 1.0 1.8 3.40 3204 2622 A 58 ILE HG2% A 88 GLN HGx 1.0 1.8 3.40 3205 2623 A 58 ILE HD1% A 88 GLN HGy 1.0 1.8 4.28 3206 2623 A 58 ILE HD1% A 88 GLN HGx 1.0 1.8 4.28 3207 2624 A 59 ARG H A 88 GLN HGy 1.0 1.8 4.76 3208 2624 A 59 ARG H A 88 GLN HGx 1.0 1.8 4.76 3209 2625 A 62 PHE H A 65 GLN HGx 1.0 1.8 4.85 3210 2625 A 62 PHE H A 65 GLN HGy 1.0 1.8 4.85 3211 2626 A 62 PHE HA A 65 GLN HGx 1.0 1.8 5.59 3212 2626 A 62 PHE HA A 65 GLN HGy 1.0 1.8 5.59 3213 2627 A 62 PHE HD% A 65 GLN HGx 1.0 1.8 4.91 3214 2627 A 62 PHE HD% A 65 GLN HGy 1.0 1.8 4.91 3215 2628 A 62 PHE HZ A 79 GLU HBx 1.0 1.8 4.69 3216 2628 A 62 PHE HZ A 79 GLU HBy 1.0 1.8 4.69 3217 2629 A 63 ASP HB2 A 65 GLN HGx 1.0 1.8 3.73 3218 2629 A 63 ASP HB2 A 65 GLN HGy 1.0 1.8 3.73 3219 2630 A 63 ASP HB3 A 65 GLN HGx 1.0 1.8 3.92 3220 2630 A 63 ASP HB3 A 65 GLN HGy 1.0 1.8 3.92 3221 2631 A 64 GLY HA2 A 65 GLN HGx 1.0 1.8 5.30 3222 2631 A 64 GLY HA2 A 65 GLN HGy 1.0 1.8 5.30 3223 2632 A 65 GLN H A 65 GLN HGx 1.0 1.8 3.35 3224 2632 A 65 GLN H A 65 GLN HGy 1.0 1.8 3.35 3225 2633 A 65 GLN HA A 65 GLN HGx 1.0 1.8 3.46 3226 2633 A 65 GLN HA A 65 GLN HGy 1.0 1.8 3.46 3227 2634 A 65 GLN HE21 A 65 GLN HGx 1.0 1.8 3.02 3228 2634 A 65 GLN HE21 A 65 GLN HGy 1.0 1.8 3.02 3229 2635 A 65 GLN HE22 A 65 GLN HGx 1.0 1.8 3.59 3230 2635 A 65 GLN HE22 A 65 GLN HGy 1.0 1.8 3.59 3231 2636 A 67 ILE HG2% A 65 GLN HGx 1.0 1.8 4.19 3232 2636 A 67 ILE HG2% A 65 GLN HGy 1.0 1.8 4.19 3233 2637 A 67 ILE HD1% A 65 GLN HGx 1.0 1.8 5.12 3234 2637 A 67 ILE HD1% A 65 GLN HGy 1.0 1.8 5.12 3235 2638 A 72 THR HG2% A 75 GLN HE2y 1.0 1.8 4.00 3236 2638 A 72 THR HG2% A 75 GLN HE2x 1.0 1.8 4.00 3237 2639 A 75 GLN H A 75 GLN HE2x 1.0 1.8 4.95 3238 2639 A 75 GLN HE2y A 75 GLN H 1.0 1.8 4.95 3239 2640 A 75 GLN HA A 75 GLN HE2x 1.0 1.8 5.17 3240 2640 A 75 GLN HE2y A 75 GLN HA 1.0 1.8 5.17 3241 2641 A 75 GLN HE2x A 75 GLN HGx 1.0 1.8 3.04 3242 2641 A 75 GLN HGy A 75 GLN HE2x 1.0 1.8 3.04 3243 2641 A 75 GLN HGy A 75 GLN HE2y 1.0 1.8 3.04 3244 2641 A 75 GLN HE2y A 75 GLN HGx 1.0 1.8 3.04 3245 2642 A 79 GLU H A 79 GLU HBx 1.0 1.8 3.63 3246 2642 A 79 GLU H A 79 GLU HBy 1.0 1.8 3.63 3247 2643 A 79 GLU HA A 79 GLU HGx 1.0 1.8 3.31 3248 2643 A 79 GLU HA A 79 GLU HGy 1.0 1.8 3.31 3249 2644 A 79 GLU HBx A 79 GLU HGx 1.0 1.8 2.27 3250 2644 A 79 GLU HBy A 79 GLU HGx 1.0 1.8 2.27 3251 2644 A 79 GLU HGy A 79 GLU HBx 1.0 1.8 2.27 3252 2644 A 79 GLU HBy A 79 GLU HGy 1.0 1.8 2.27 3253 2645 A 80 ASP H A 79 GLU HBx 1.0 1.8 4.22 3254 2645 A 80 ASP H A 79 GLU HBy 1.0 1.8 4.22 3255 2646 A 82 ASP H A 79 GLU HBx 1.0 1.8 4.55 3256 2646 A 82 ASP H A 79 GLU HBy 1.0 1.8 4.55 3257 2647 A 82 ASP H A 79 GLU HGx 1.0 1.8 5.56 3258 2647 A 82 ASP H A 79 GLU HGy 1.0 1.8 5.56 3259 2648 A 82 ASP HBy A 79 GLU HGx 1.0 1.8 4.53 3260 2648 A 82 ASP HBy A 79 GLU HGy 1.0 1.8 4.53 3261 2649 A 86 VAL HGx% A 88 GLN HGy 1.0 1.8 4.65 3262 2649 A 86 VAL HGx% A 88 GLN HGx 1.0 1.8 4.65 3263 2650 A 87 PHE HD% A 89 GLN HBy 1.0 1.8 5.51 3264 2650 A 87 PHE HD% A 89 GLN HBx 1.0 1.8 5.51 3265 2651 A 88 GLN H A 88 GLN HGy 1.0 1.8 3.35 3266 2651 A 88 GLN H A 88 GLN HGx 1.0 1.8 3.35 3267 2652 A 88 GLN HA A 88 GLN HGy 1.0 1.8 3.48 3268 2652 A 88 GLN HA A 88 GLN HGx 1.0 1.8 3.48 3269 2653 A 88 GLN HB2 A 88 GLN HGy 1.0 1.8 2.52 3270 2653 A 88 GLN HB2 A 88 GLN HGx 1.0 1.8 2.52 3271 2654 A 88 GLN HB3 A 88 GLN HGy 1.0 1.8 2.52 3272 2654 A 88 GLN HB3 A 88 GLN HGx 1.0 1.8 2.52 3273 2655 A 88 GLN HE22 A 88 GLN HGy 1.0 1.8 3.48 3274 2655 A 88 GLN HE22 A 88 GLN HGx 1.0 1.8 3.48 3275 2656 A 89 GLN H A 88 GLN HGy 1.0 1.8 4.95 3276 2656 A 89 GLN H A 88 GLN HGx 1.0 1.8 4.95 3277 2657 A 89 GLN HA A 89 GLN HBy 1.0 1.8 2.56 3278 2657 A 89 GLN HA A 89 GLN HBx 1.0 1.8 2.56 3279 2658 A 89 GLN HE2y A 89 GLN HBy 1.0 1.8 4.35 3280 2658 A 89 GLN HE2y A 89 GLN HBx 1.0 1.8 4.35 3281 2659 A 89 GLN HE2x A 89 GLN HBy 1.0 1.8 4.72 3282 2659 A 89 GLN HBx A 89 GLN HE2x 1.0 1.8 4.72 3283 2660 A 90 GLN HE2y A 89 GLN HBx 1.0 1.8 5.51 3284 2660 A 90 GLN HE2x A 89 GLN HBx 1.0 1.8 5.51 3285 2660 A 90 GLN HE2y A 89 GLN HBy 1.0 1.8 5.51 3286 2660 A 90 GLN HE2x A 89 GLN HBy 1.0 1.8 5.51 3287 2661 A 90 GLN H A 90 GLN HE2y 1.0 1.8 4.42 3288 2661 A 90 GLN H A 90 GLN HE2x 1.0 1.8 4.42 3289 2662 A 90 GLN HE2y A 90 GLN HGx 1.0 1.8 3.40 3290 2662 A 90 GLN HGy A 90 GLN HE2y 1.0 1.8 3.40 3291 2662 A 90 GLN HGy A 90 GLN HE2x 1.0 1.8 3.40 3292 2662 A 90 GLN HE2x A 90 GLN HGx 1.0 1.8 3.40 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 44 MET H A 40 LEU O 1.0 1.8 2.22 2 2 A 40 LEU O A 44 MET N 1.0 1.8 3.13 3 3 A 45 LYS H A 41 SER O 1.0 1.8 2.22 4 4 A 41 SER O A 45 LYS N 1.0 1.8 3.13 5 5 A 47 TYR H A 43 LEU O 1.0 1.8 2.22 6 6 A 43 LEU O A 47 TYR N 1.0 1.8 3.13 7 7 A 49 GLU H A 45 LYS O 1.0 1.8 2.22 8 8 A 45 LYS O A 49 GLU N 1.0 1.8 3.13 9 9 A 50 ARG H A 46 ALA O 1.0 1.8 2.22 10 10 A 46 ALA O A 50 ARG N 1.0 1.8 3.13 11 11 A 51 GLN H A 47 TYR O 1.0 1.8 2.22 12 12 A 47 TYR O A 51 GLN N 1.0 1.8 3.13 13 13 A 18 ILE H A 34 ILE O 1.0 1.8 2.12 14 14 A 34 ILE O A 18 ILE N 1.0 1.8 3.05 15 15 A 20 LEU H A 32 PHE O 1.0 1.8 2.12 16 16 A 32 PHE O A 20 LEU N 1.0 1.8 3.05 17 17 A 22 VAL H A 30 VAL O 1.0 1.8 2.12 18 18 A 30 VAL O A 22 VAL N 1.0 1.8 3.05 19 19 A 24 GLY H A 28 SER O 1.0 1.8 2.12 20 20 A 28 SER O A 24 GLY N 1.0 1.8 3.05 21 21 A 27 GLY H A 24 GLY O 1.0 1.8 2.12 22 22 A 24 GLY O A 27 GLY N 1.0 1.8 3.05 23 23 A 30 VAL H A 22 VAL O 1.0 1.8 2.12 24 24 A 22 VAL O A 30 VAL N 1.0 1.8 3.05 25 25 A 32 PHE H A 20 LEU O 1.0 1.8 2.12 26 26 A 20 LEU O A 32 PHE N 1.0 1.8 3.05 27 27 A 34 ILE H A 18 ILE O 1.0 1.8 2.12 28 28 A 18 ILE O A 34 ILE N 1.0 1.8 3.05 29 29 A 21 LYS H A 82 ASP O 1.0 1.8 2.12 30 30 A 82 ASP O A 21 LYS N 1.0 1.8 3.05 31 31 A 23 ALA H A 84 ILE O 1.0 1.8 2.12 32 32 A 84 ILE O A 23 ALA N 1.0 1.8 3.05 33 33 A 81 GLU H A 19 ASN O 1.0 1.8 2.12 34 34 A 19 ASN O A 81 GLU N 1.0 1.8 3.05 35 35 A 84 ILE H A 21 LYS O 1.0 1.8 2.12 36 36 A 21 LYS O A 84 ILE N 1.0 1.8 3.05 37 37 A 86 VAL H A 23 ALA O 1.0 1.8 2.12 38 38 A 23 ALA O A 86 VAL N 1.0 1.8 3.05 39 39 A 62 PHE H A 65 GLN O 1.0 1.8 2.12 40 40 A 65 GLN O A 62 PHE N 1.0 1.8 3.05 41 41 A 67 ILE H A 60 PHE O 1.0 1.8 2.12 42 42 A 60 PHE O A 67 ILE N 1.0 1.8 3.05 43 43 A 85 ASP H A 61 ARG O 1.0 1.8 2.12 44 44 A 61 ARG O A 85 ASP N 1.0 1.8 3.05 45 45 A 87 PHE H A 59 ARG O 1.0 1.8 2.12 46 46 A 59 ARG O A 87 PHE N 1.0 1.8 3.05 47 47 A 59 ARG H A 87 PHE O 1.0 1.8 2.12 48 48 A 87 PHE O A 59 ARG N 1.0 1.8 3.05 49 49 A 61 ARG H A 85 ASP O 1.0 1.8 2.12 50 50 A 85 ASP O A 61 ARG N 1.0 1.8 3.05 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 ALA C A 3 ASP N A 3 ASP CA A 3 ASP C 1.0 -143.6 -60.3 PHI 2 2 A 3 ASP N A 3 ASP CA A 3 ASP C A 4 GLU N 1.0 -42.0 38.9 PSI 3 3 A 17 HIS C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -155.2 -102.2 PHI 4 4 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 ASN N 1.0 122.8 167.5 PSI 5 5 A 18 ILE C A 19 ASN N A 19 ASN CA A 19 ASN C 1.0 -141.7 -76.9 PHI 6 6 A 19 ASN N A 19 ASN CA A 19 ASN C A 20 LEU N 1.0 107.4 150.8 PSI 7 7 A 19 ASN C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -167.7 -92.9 PHI 8 8 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 LYS N 1.0 124.9 175.8 PSI 9 9 A 20 LEU C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -173.7 -72.9 PHI 10 10 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 VAL N 1.0 114.5 172.9 PSI 11 11 A 21 LYS C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -144.1 -73.2 PHI 12 12 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 ALA N 1.0 95.1 142.2 PSI 13 13 A 22 VAL C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -145.1 -64.2 PHI 14 14 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 GLY N 1.0 94.8 175.2 PSI 15 15 A 24 GLY C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -80.4 -46.6 PHI 16 16 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 ASP N 1.0 -59.2 7.1 PSI 17 17 A 25 GLN C A 26 ASP N A 26 ASP CA A 26 ASP C 1.0 -104.6 -65.0 PHI 18 18 A 26 ASP N A 26 ASP CA A 26 ASP C A 27 GLY N 1.0 -20.7 21.3 PSI 19 19 A 26 ASP C A 27 GLY N A 27 GLY CA A 27 GLY C 1.0 73.7 104.7 PHI 20 20 A 27 GLY N A 27 GLY CA A 27 GLY C A 28 SER N 1.0 -42.4 40.9 PSI 21 21 A 28 SER C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -155.2 -70.2 PHI 22 22 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 VAL N 1.0 95.9 179.0 PSI 23 23 A 29 VAL C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -158.2 -96.6 PHI 24 24 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 GLN N 1.0 110.6 150.1 PSI 25 25 A 30 VAL C A 31 GLN N A 31 GLN CA A 31 GLN C 1.0 -155.1 -85.0 PHI 26 26 A 31 GLN N A 31 GLN CA A 31 GLN C A 32 PHE N 1.0 106.6 166.8 PSI 27 27 A 31 GLN C A 32 PHE N A 32 PHE CA A 32 PHE C 1.0 -160.7 -103.1 PHI 28 28 A 32 PHE N A 32 PHE CA A 32 PHE C A 33 LYS N 1.0 120.5 165.7 PSI 29 29 A 32 PHE C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -162.1 -72.3 PHI 30 30 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 ILE N 1.0 104.0 159.7 PSI 31 31 A 33 LYS C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -150.0 -120.9 PHI 32 32 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 LYS N 1.0 119.6 183.1 PSI 33 33 A 34 ILE C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -100.5 -56.2 PHI 34 34 A 35 LYS N A 35 LYS CA A 35 LYS C A 36 ARG N 1.0 124.4 203.0 PSI 35 35 A 35 LYS C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -71.1 -41.9 PHI 36 36 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 HIS N 1.0 -51.3 -7.0 PSI 37 37 A 36 ARG C A 37 HIS N A 37 HIS CA A 37 HIS C 1.0 -122.1 -69.0 PHI 38 38 A 37 HIS N A 37 HIS CA A 37 HIS C A 38 THR N 1.0 -23.6 23.5 PSI 39 39 A 37 HIS C A 38 THR N A 38 THR CA A 38 THR C 1.0 -93.0 -47.7 PHI 40 40 A 38 THR N A 38 THR CA A 38 THR C A 39 PRO N 1.0 108.9 154.3 PSI 41 41 A 39 PRO C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -77.0 -40.3 PHI 42 42 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 SER N 1.0 -54.0 -14.3 PSI 43 43 A 40 LEU C A 41 SER N A 41 SER CA A 41 SER C 1.0 -78.3 -49.4 PHI 44 44 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 MET N 1.0 -58.0 -27.0 PSI 45 45 A 43 LEU C A 44 MET N A 44 MET CA A 44 MET C 1.0 -69.3 -49.3 PHI 46 46 A 44 MET N A 44 MET CA A 44 MET C A 45 LYS N 1.0 -54.5 -30.9 PSI 47 47 A 44 MET C A 45 LYS N A 45 LYS CA A 45 LYS C 1.0 -70.0 -50.0 PHI 48 48 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 ALA N 1.0 -60.0 -27.7 PSI 49 49 A 45 LYS C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -77.2 -54.2 PHI 50 50 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 TYR N 1.0 -60.5 -17.4 PSI 51 51 A 46 ALA C A 47 TYR N A 47 TYR CA A 47 TYR C 1.0 -75.5 -55.5 PHI 52 52 A 47 TYR N A 47 TYR CA A 47 TYR C A 48 CYS N 1.0 -55.2 -31.1 PSI 53 53 A 47 TYR C A 48 CYS N A 48 CYS CA A 48 CYS C 1.0 -71.5 -51.5 PHI 54 54 A 48 CYS N A 48 CYS CA A 48 CYS C A 49 GLU N 1.0 -54.7 -34.7 PSI 55 55 A 48 CYS C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -73.2 -51.4 PHI 56 56 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 ARG N 1.0 -58.5 -28.2 PSI 57 57 A 49 GLU C A 50 ARG N A 50 ARG CA A 50 ARG C 1.0 -90.7 -44.5 PHI 58 58 A 50 ARG N A 50 ARG CA A 50 ARG C A 51 GLN N 1.0 -67.3 -11.4 PSI 59 59 A 50 ARG C A 51 GLN N A 51 GLN CA A 51 GLN C 1.0 -126.9 -71.3 PHI 60 60 A 51 GLN N A 51 GLN CA A 51 GLN C A 52 GLY N 1.0 -21.3 16.8 PSI 61 61 A 51 GLN C A 52 GLY N A 52 GLY CA A 52 GLY C 1.0 53.4 93.5 PHI 62 62 A 52 GLY N A 52 GLY CA A 52 GLY C A 53 LEU N 1.0 3.0 56.2 PSI 63 63 A 52 GLY C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -145.8 -76.0 PHI 64 64 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 SER N 1.0 130.7 175.2 PSI 65 65 A 53 LEU C A 54 SER N A 54 SER CA A 54 SER C 1.0 -151.0 -26.9 PHI 66 66 A 54 SER N A 54 SER CA A 54 SER C A 55 MET N 1.0 103.3 164.7 PSI 67 67 A 54 SER C A 55 MET N A 55 MET CA A 55 MET C 1.0 -79.3 -44.7 PHI 68 68 A 55 MET N A 55 MET CA A 55 MET C A 56 ARG N 1.0 -49.3 -10.0 PSI 69 69 A 55 MET C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -83.1 -59.0 PHI 70 70 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 GLN N 1.0 -56.4 14.5 PSI 71 71 A 56 ARG C A 57 GLN N A 57 GLN CA A 57 GLN C 1.0 -129.3 -74.1 PHI 72 72 A 57 GLN N A 57 GLN CA A 57 GLN C A 58 ILE N 1.0 -53.9 37.8 PSI 73 73 A 57 GLN C A 58 ILE N A 58 ILE CA A 58 ILE C 1.0 -167.1 -81.9 PHI 74 74 A 58 ILE N A 58 ILE CA A 58 ILE C A 59 ARG N 1.0 104.1 193.8 PSI 75 75 A 58 ILE C A 59 ARG N A 59 ARG CA A 59 ARG C 1.0 -169.5 -102.6 PHI 76 76 A 59 ARG N A 59 ARG CA A 59 ARG C A 60 PHE N 1.0 110.4 174.1 PSI 77 77 A 59 ARG C A 60 PHE N A 60 PHE CA A 60 PHE C 1.0 -140.8 -79.8 PHI 78 78 A 60 PHE N A 60 PHE CA A 60 PHE C A 61 ARG N 1.0 122.6 149.9 PSI 79 79 A 60 PHE C A 61 ARG N A 61 ARG CA A 61 ARG C 1.0 -172.9 -102.5 PHI 80 80 A 61 ARG N A 61 ARG CA A 61 ARG C A 62 PHE N 1.0 119.5 173.3 PSI 81 81 A 61 ARG C A 62 PHE N A 62 PHE CA A 62 PHE C 1.0 -173.5 -103.2 PHI 82 82 A 62 PHE N A 62 PHE CA A 62 PHE C A 63 ASP N 1.0 105.9 146.6 PSI 83 83 A 62 PHE C A 63 ASP N A 63 ASP CA A 63 ASP C 1.0 37.6 69.4 PHI 84 84 A 63 ASP N A 63 ASP CA A 63 ASP C A 64 GLY N 1.0 26.5 58.9 PSI 85 85 A 63 ASP C A 64 GLY N A 64 GLY CA A 64 GLY C 1.0 53.9 102.0 PHI 86 86 A 64 GLY N A 64 GLY CA A 64 GLY C A 65 GLN N 1.0 -31.1 37.0 PSI 87 87 A 64 GLY C A 65 GLN N A 65 GLN CA A 65 GLN C 1.0 -149.1 -70.9 PHI 88 88 A 65 GLN N A 65 GLN CA A 65 GLN C A 66 PRO N 1.0 67.2 176.9 PSI 89 89 A 66 PRO C A 67 ILE N A 67 ILE CA A 67 ILE C 1.0 -142.5 -63.2 PHI 90 90 A 67 ILE N A 67 ILE CA A 67 ILE C A 68 ASN N 1.0 101.0 180.7 PSI 91 91 A 67 ILE C A 68 ASN N A 68 ASN CA A 68 ASN C 1.0 -140.9 -53.4 PHI 92 92 A 68 ASN N A 68 ASN CA A 68 ASN C A 69 GLU N 1.0 141.6 195.4 PSI 93 93 A 68 ASN C A 69 GLU N A 69 GLU CA A 69 GLU C 1.0 -80.3 -33.9 PHI 94 94 A 69 GLU N A 69 GLU CA A 69 GLU C A 70 THR N 1.0 -56.3 3.3 PSI 95 95 A 69 GLU C A 70 THR N A 70 THR CA A 70 THR C 1.0 -140.0 -57.6 PHI 96 96 A 70 THR N A 70 THR CA A 70 THR C A 71 ASP N 1.0 -53.6 33.0 PSI 97 97 A 73 PRO C A 74 ALA N A 74 ALA CA A 74 ALA C 1.0 -94.8 -43.4 PHI 98 98 A 74 ALA N A 74 ALA CA A 74 ALA C A 75 GLN N 1.0 -58.4 -10.9 PSI 99 99 A 74 ALA C A 75 GLN N A 75 GLN CA A 75 GLN C 1.0 -87.7 -47.5 PHI 100 100 A 75 GLN N A 75 GLN CA A 75 GLN C A 76 LEU N 1.0 -55.5 -6.2 PSI 101 101 A 75 GLN C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -111.1 -76.5 PHI 102 102 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 GLU N 1.0 -14.5 36.3 PSI 103 103 A 76 LEU C A 77 GLU N A 77 GLU CA A 77 GLU C 1.0 43.8 71.9 PHI 104 104 A 77 GLU N A 77 GLU CA A 77 GLU C A 78 MET N 1.0 10.8 62.1 PSI 105 105 A 78 MET C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -159.3 -88.2 PHI 106 106 A 79 GLU N A 79 GLU CA A 79 GLU C A 80 ASP N 1.0 136.6 196.0 PSI 107 107 A 80 ASP C A 81 GLU N A 81 GLU CA A 81 GLU C 1.0 42.0 95.3 PHI 108 108 A 81 GLU N A 81 GLU CA A 81 GLU C A 82 ASP N 1.0 0.6 52.8 PSI 109 109 A 82 ASP C A 83 THR N A 83 THR CA A 83 THR C 1.0 -157.7 -84.7 PHI 110 110 A 83 THR N A 83 THR CA A 83 THR C A 84 ILE N 1.0 88.7 179.0 PSI 111 111 A 83 THR C A 84 ILE N A 84 ILE CA A 84 ILE C 1.0 -154.8 -80.8 PHI 112 112 A 84 ILE N A 84 ILE CA A 84 ILE C A 85 ASP N 1.0 110.8 155.0 PSI 113 113 A 84 ILE C A 85 ASP N A 85 ASP CA A 85 ASP C 1.0 -168.1 -73.0 PHI 114 114 A 85 ASP N A 85 ASP CA A 85 ASP C A 86 VAL N 1.0 96.9 180.8 PSI 115 115 A 85 ASP C A 86 VAL N A 86 VAL CA A 86 VAL C 1.0 -152.2 -102.4 PHI 116 116 A 86 VAL N A 86 VAL CA A 86 VAL C A 87 PHE N 1.0 115.2 171.5 PSI 117 117 A 86 VAL C A 87 PHE N A 87 PHE CA A 87 PHE C 1.0 -165.4 -75.7 PHI 118 118 A 87 PHE N A 87 PHE CA A 87 PHE C A 88 GLN N 1.0 108.0 167.3 PSI 119 119 A 87 PHE C A 88 GLN N A 88 GLN CA A 88 GLN C 1.0 -131.6 -47.3 PHI 120 120 A 88 GLN N A 88 GLN CA A 88 GLN C A 89 GLN N 1.0 113.4 165.5 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 2 ALA N A 2 ALA H 1.0 . . . 2 2 A 4 GLU N A 4 GLU H 1.0 . . . 3 3 A 5 LYS N A 5 LYS H 1.0 . . . 4 4 A 7 LYS N A 7 LYS H 1.0 . . . 5 5 A 9 GLY N A 9 GLY H 1.0 . . . 6 6 A 11 LYS N A 11 LYS H 1.0 . . . 7 7 A 12 THR N A 12 THR H 1.0 . . . 8 8 A 13 GLU N A 13 GLU H 1.0 . . . 9 9 A 14 ASN N A 14 ASN H 1.0 . . . 10 10 A 16 ASP N A 16 ASP H 1.0 . . . 11 11 A 17 HIS N A 17 HIS H 1.0 . . . 12 12 A 20 LEU N A 20 LEU H 1.0 . . . 13 13 A 22 VAL N A 22 VAL H 1.0 . . . 14 14 A 23 ALA N A 23 ALA H 1.0 . . . 15 15 A 24 GLY N A 24 GLY H 1.0 . . . 16 16 A 25 GLN N A 25 GLN H 1.0 . . . 17 17 A 27 GLY N A 27 GLY H 1.0 . . . 18 18 A 28 SER N A 28 SER H 1.0 . . . 19 19 A 29 VAL N A 29 VAL H 1.0 . . . 20 20 A 30 VAL N A 30 VAL H 1.0 . . . 21 21 A 31 GLN N A 31 GLN H 1.0 . . . 22 22 A 32 PHE N A 32 PHE H 1.0 . . . 23 23 A 33 LYS N A 33 LYS H 1.0 . . . 24 24 A 36 ARG N A 36 ARG H 1.0 . . . 25 25 A 37 HIS N A 37 HIS H 1.0 . . . 26 26 A 38 THR N A 38 THR H 1.0 . . . 27 27 A 40 LEU N A 40 LEU H 1.0 . . . 28 28 A 46 ALA N A 46 ALA H 1.0 . . . 29 29 A 47 TYR N A 47 TYR H 1.0 . . . 30 30 A 48 CYS N A 48 CYS H 1.0 . . . 31 31 A 51 GLN N A 51 GLN H 1.0 . . . 32 32 A 53 LEU N A 53 LEU H 1.0 . . . 33 33 A 54 SER N A 54 SER H 1.0 . . . 34 34 A 57 GLN N A 57 GLN H 1.0 . . . 35 35 A 58 ILE N A 58 ILE H 1.0 . . . 36 36 A 59 ARG N A 59 ARG H 1.0 . . . 37 37 A 61 ARG N A 61 ARG H 1.0 . . . 38 38 A 63 ASP N A 63 ASP H 1.0 . . . 39 39 A 64 GLY N A 64 GLY H 1.0 . . . 40 40 A 65 GLN N A 65 GLN H 1.0 . . . 41 41 A 67 ILE N A 67 ILE H 1.0 . . . 42 42 A 68 ASN N A 68 ASN H 1.0 . . . 43 43 A 70 THR N A 70 THR H 1.0 . . . 44 44 A 71 ASP N A 71 ASP H 1.0 . . . 45 45 A 72 THR N A 72 THR H 1.0 . . . 46 46 A 78 MET N A 78 MET H 1.0 . . . 47 47 A 80 ASP N A 80 ASP H 1.0 . . . 48 48 A 81 GLU N A 81 GLU H 1.0 . . . 49 49 A 82 ASP N A 82 ASP H 1.0 . . . 50 50 A 83 THR N A 83 THR H 1.0 . . . 51 51 A 84 ILE N A 84 ILE H 1.0 . . . 52 52 A 86 VAL N A 86 VAL H 1.0 . . . 53 53 A 87 PHE N A 87 PHE H 1.0 . . . 54 54 A 88 GLN N A 88 GLN H 1.0 . . . 55 55 A 89 GLN N A 89 GLN H 1.0 . . . 56 56 A 90 GLN N A 90 GLN H 1.0 . . . 57 57 A 91 THR N A 91 THR H 1.0 . . . 58 58 A 92 GLY N A 92 GLY H 1.0 . . . 59 59 A 93 GLY N A 93 GLY H 1.0 . . . stop_ save_