data_nef_c25577_2n1w 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 6801 PDB 1WM3 PDB 2N1W stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 . . 56 A 42 LYS middle . . 57 A 43 LEU middle . . 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 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts 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 8.467 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 2.059 0.020 A 1 MET HGx H 1 2.479 0.020 A 1 MET HGy H 1 2.608 0.020 A 1 MET C C 13 176.420 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 17.004 0.400 A 1 MET CG C 13 32.220 0.400 A 1 MET N N 15 118.819 0.400 A 2 ALA H H 1 8.017 0.020 A 2 ALA HA H 1 4.216 0.020 A 2 ALA HB% H 1 1.371 0.020 A 2 ALA C C 13 177.451 0.400 A 2 ALA CA C 13 52.851 0.400 A 2 ALA CB C 13 19.301 0.400 A 2 ALA N N 15 124.357 0.400 A 3 ASP H H 1 8.240 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 15 119.185 0.400 A 4 GLU H H 1 8.208 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 15 121.096 0.400 A 5 LYS H H 1 8.327 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 C C 13 174.358 0.400 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 15 123.984 0.400 A 6 PRO HA H 1 4.381 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 HD2 H 1 3.581 0.020 A 6 PRO HD3 H 1 3.793 0.020 A 6 PRO HGx H 1 1.983 0.020 A 6 PRO HGy H 1 1.983 0.020 A 6 PRO C C 13 176.951 0.400 A 6 PRO CA C 13 63.660 0.400 A 6 PRO CB C 13 32.022 0.400 A 6 PRO CD C 13 50.668 0.400 A 6 PRO CG C 13 27.380 0.400 A 7 LYS H H 1 8.534 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 15 122.482 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 15 122.135 0.400 A 9 GLY H H 1 8.479 0.020 A 9 GLY HAx H 1 3.931 0.020 A 9 GLY HAy H 1 3.931 0.020 A 9 GLY C C 13 173.903 0.400 A 9 GLY CA C 13 45.244 0.400 A 9 GLY N N 15 110.369 0.400 A 10 VAL H H 1 7.990 0.020 A 10 VAL HA H 1 4.066 0.020 A 10 VAL HB H 1 2.022 0.020 A 10 VAL HGx% H 1 0.887 0.020 A 10 VAL HGy% H 1 0.887 0.020 A 10 VAL C C 13 176.228 0.400 A 10 VAL CA C 13 62.286 0.400 A 10 VAL CB C 13 32.727 0.400 A 10 VAL CG1 C 13 21.157 0.400 A 10 VAL CG2 C 13 20.644 0.400 A 10 VAL N N 15 119.650 0.400 A 11 LYS H H 1 8.543 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 13 176.694 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 15 126.003 0.400 A 12 THR H H 1 8.269 0.020 A 12 THR HA H 1 4.262 0.020 A 12 THR HB H 1 4.162 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 61.914 0.400 A 12 THR CB C 13 69.737 0.400 A 12 THR CG2 C 13 21.642 0.400 A 12 THR N N 15 116.466 0.400 A 13 GLU H H 1 8.520 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 15 123.263 0.400 A 14 ASN H H 1 8.544 0.020 A 14 ASN HA H 1 4.922 0.020 A 14 ASN HBx H 1 2.614 0.020 A 14 ASN HBy H 1 2.869 0.020 A 14 ASN HD21 H 1 6.981 0.020 A 14 ASN HD22 H 1 7.585 0.020 A 14 ASN C C 13 174.762 0.400 A 14 ASN CA C 13 52.976 0.400 A 14 ASN CB C 13 38.747 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 8.640 0.020 A 15 ASN HA H 1 4.638 0.020 A 15 ASN HBx H 1 2.793 0.020 A 15 ASN HBy H 1 2.793 0.020 A 15 ASN HD2y H 1 7.661 0.020 A 15 ASN HD2x H 1 6.936 0.020 A 15 ASN C C 13 174.866 0.400 A 15 ASN CA C 13 53.310 0.400 A 15 ASN CB C 13 39.038 0.400 A 15 ASN N N 15 120.520 0.400 A 15 ASN ND2 N 15 113.322 0.400 A 16 ASP H H 1 8.351 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 15 119.777 0.400 A 17 HIS H H 1 8.181 0.020 A 17 HIS HA H 1 4.814 0.020 A 17 HIS HB2 H 1 2.892 0.020 A 17 HIS HB3 H 1 2.760 0.020 A 17 HIS HD2 H 1 6.563 0.020 A 17 HIS HE1 H 1 7.822 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 32.020 0.400 A 17 HIS CD2 C 13 121.330 0.400 A 17 HIS CE1 C 13 138.586 0.400 A 17 HIS N N 15 117.026 0.400 A 18 ILE H H 1 9.123 0.020 A 18 ILE HA H 1 4.597 0.020 A 18 ILE HB H 1 1.586 0.020 A 18 ILE HD1% H 1 0.454 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 0.711 0.020 A 18 ILE C C 13 172.756 0.400 A 18 ILE CA C 13 59.776 0.400 A 18 ILE CB C 13 42.222 0.400 A 18 ILE CD1 C 13 14.461 0.400 A 18 ILE CG1 C 13 26.395 0.400 A 18 ILE CG2 C 13 16.892 0.400 A 18 ILE N N 15 117.742 0.400 A 19 ASN H H 1 8.999 0.020 A 19 ASN HA H 1 5.438 0.020 A 19 ASN HB2 H 1 2.680 0.020 A 19 ASN HB3 H 1 2.514 0.020 A 19 ASN HD21 H 1 6.793 0.020 A 19 ASN HD22 H 1 8.081 0.020 A 19 ASN C C 13 174.654 0.400 A 19 ASN CA C 13 52.270 0.400 A 19 ASN CB C 13 40.286 0.400 A 19 ASN N N 15 122.452 0.400 A 19 ASN ND2 N 15 114.967 0.400 A 20 LEU H H 1 9.035 0.020 A 20 LEU HA H 1 5.076 0.020 A 20 LEU HB2 H 1 1.390 0.020 A 20 LEU HB3 H 1 1.172 0.020 A 20 LEU HDx% H 1 0.613 0.020 A 20 LEU HDy% H 1 0.816 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 52.915 0.400 A 20 LEU CB C 13 46.773 0.400 A 20 LEU CD1 C 13 26.652 0.400 A 20 LEU CD2 C 13 24.351 0.400 A 20 LEU CG C 13 27.075 0.400 A 20 LEU N N 15 123.320 0.400 A 21 LYS H H 1 8.638 0.020 A 21 LYS HA H 1 4.879 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 55.039 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 15 120.598 0.400 A 22 VAL H H 1 9.184 0.020 A 22 VAL HA H 1 4.888 0.020 A 22 VAL HB H 1 1.998 0.020 A 22 VAL HGx% H 1 0.038 0.020 A 22 VAL HGy% H 1 0.726 0.020 A 22 VAL C C 13 175.437 0.400 A 22 VAL CA C 13 61.217 0.400 A 22 VAL CB C 13 32.552 0.400 A 22 VAL CG1 C 13 22.485 0.400 A 22 VAL CG2 C 13 21.759 0.400 A 22 VAL N N 15 121.555 0.400 A 23 ALA H H 1 9.295 0.020 A 23 ALA HA H 1 5.249 0.020 A 23 ALA HB% H 1 1.379 0.020 A 23 ALA C C 13 176.917 0.400 A 23 ALA CA C 13 50.781 0.400 A 23 ALA CB C 13 21.085 0.400 A 23 ALA N N 15 133.027 0.400 A 24 GLY H H 1 8.617 0.020 A 24 GLY HA2 H 1 4.554 0.020 A 24 GLY HA3 H 1 3.753 0.020 A 24 GLY C C 13 175.915 0.400 A 24 GLY CA C 13 43.805 0.400 A 24 GLY N N 15 109.945 0.400 A 25 GLN H H 1 9.023 0.020 A 25 GLN HA H 1 4.149 0.020 A 25 GLN HB2 H 1 2.196 0.020 A 25 GLN HB3 H 1 2.025 0.020 A 25 GLN HE21 H 1 7.622 0.020 A 25 GLN HE22 H 1 7.021 0.020 A 25 GLN HGx H 1 2.424 0.020 A 25 GLN HGy H 1 2.424 0.020 A 25 GLN C C 13 175.932 0.400 A 25 GLN CA C 13 57.766 0.400 A 25 GLN CB C 13 28.730 0.400 A 25 GLN CG C 13 34.766 0.400 A 25 GLN N N 15 120.801 0.400 A 25 GLN NE2 N 15 114.277 0.400 A 26 ASP H H 1 8.293 0.020 A 26 ASP HA H 1 4.492 0.020 A 26 ASP HBy H 1 3.030 0.020 A 26 ASP HBx H 1 2.648 0.020 A 26 ASP C C 13 176.827 0.400 A 26 ASP CA C 13 53.178 0.400 A 26 ASP CB C 13 40.072 0.400 A 26 ASP N N 15 116.965 0.400 A 27 GLY H H 1 7.894 0.020 A 27 GLY HA2 H 1 4.273 0.020 A 27 GLY HA3 H 1 3.719 0.020 A 27 GLY C C 13 174.270 0.400 A 27 GLY CA C 13 45.234 0.400 A 27 GLY N N 15 108.378 0.400 A 28 SER H H 1 8.016 0.020 A 28 SER HA H 1 4.325 0.020 A 28 SER HB2 H 1 3.847 0.020 A 28 SER HB3 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 63.794 0.400 A 28 SER N N 15 116.942 0.400 A 29 VAL H H 1 8.596 0.020 A 29 VAL HA H 1 4.949 0.020 A 29 VAL HB H 1 1.918 0.020 A 29 VAL HGx% H 1 0.817 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 61.963 0.400 A 29 VAL CB C 13 35.098 0.400 A 29 VAL CG1 C 13 21.873 0.400 A 29 VAL CG2 C 13 21.332 0.400 A 29 VAL N N 15 122.579 0.400 A 30 VAL H H 1 8.616 0.020 A 30 VAL HA H 1 4.338 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 1.046 0.020 A 30 VAL C C 13 174.278 0.400 A 30 VAL CA C 13 60.940 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 21.503 0.400 A 30 VAL N N 15 127.346 0.400 A 31 GLN H H 1 8.509 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 6.925 0.020 A 31 GLN HE22 H 1 7.422 0.020 A 31 GLN HG2 H 1 2.193 0.020 A 31 GLN HG3 H 1 2.098 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 15 125.275 0.400 A 31 GLN NE2 N 15 111.887 0.400 A 32 PHE H H 1 9.092 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 2.957 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 7.225 0.020 A 32 PHE C C 13 173.581 0.400 A 32 PHE CA C 13 57.443 0.400 A 32 PHE CB C 13 44.791 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 13 132.193 0.400 A 32 PHE CE2 C 13 132.193 0.400 A 32 PHE CZ C 13 129.670 0.400 A 32 PHE N N 15 121.076 0.400 A 33 LYS H H 1 8.492 0.020 A 33 LYS HA H 1 5.322 0.020 A 33 LYS HB2 H 1 1.547 0.020 A 33 LYS HB3 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 55.498 0.400 A 33 LYS CB C 13 33.944 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 15 122.799 0.400 A 34 ILE H H 1 8.992 0.020 A 34 ILE HA H 1 4.828 0.020 A 34 ILE HB H 1 1.787 0.020 A 34 ILE HD1% H 1 0.675 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 0.756 0.020 A 34 ILE C C 13 173.499 0.400 A 34 ILE CA C 13 59.376 0.400 A 34 ILE CB C 13 42.330 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 16.430 0.400 A 34 ILE N N 15 122.657 0.400 A 35 LYS H H 1 8.300 0.020 A 35 LYS HA H 1 4.445 0.020 A 35 LYS HBx H 1 1.725 0.020 A 35 LYS HBy 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 HGy H 1 1.179 0.020 A 35 LYS HGx H 1 0.697 0.020 A 35 LYS C C 13 178.483 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 15 124.059 0.400 A 36 ARG H H 1 8.100 0.020 A 36 ARG HA H 1 3.578 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 HDx H 1 3.143 0.020 A 36 ARG HDy H 1 3.240 0.020 A 36 ARG HE H 1 7.317 0.020 A 36 ARG HGy H 1 1.520 0.020 A 36 ARG HGx H 1 1.452 0.020 A 36 ARG C C 13 175.738 0.400 A 36 ARG CA C 13 59.837 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 15 117.933 0.400 A 36 ARG NE N 15 83.979 0.400 A 37 HIS H H 1 7.851 0.020 A 37 HIS HA H 1 4.770 0.020 A 37 HIS HBy H 1 3.349 0.020 A 37 HIS HBx H 1 2.888 0.020 A 37 HIS HD2 H 1 7.065 0.020 A 37 HIS HE1 H 1 7.765 0.020 A 37 HIS C C 13 174.708 0.400 A 37 HIS CA C 13 55.295 0.400 A 37 HIS CB C 13 29.599 0.400 A 37 HIS CD2 C 13 119.976 0.400 A 37 HIS CE1 C 13 137.986 0.400 A 37 HIS N N 15 111.539 0.400 A 38 THR H H 1 7.418 0.020 A 38 THR HA H 1 4.535 0.020 A 38 THR HB H 1 4.064 0.020 A 38 THR HG2% H 1 1.401 0.020 A 38 THR C C 13 169.861 0.400 A 38 THR CA C 13 60.631 0.400 A 38 THR CB C 13 70.619 0.400 A 38 THR CG2 C 13 21.625 0.400 A 38 THR N N 15 121.519 0.400 A 39 PRO HA H 1 4.233 0.020 A 39 PRO HB2 H 1 2.278 0.020 A 39 PRO HB3 H 1 2.037 0.020 A 39 PRO HD2 H 1 3.973 0.020 A 39 PRO HD3 H 1 3.712 0.020 A 39 PRO HG2 H 1 1.912 0.020 A 39 PRO HG3 H 1 2.091 0.020 A 39 PRO C C 13 178.342 0.400 A 39 PRO CA C 13 62.694 0.400 A 39 PRO CB C 13 32.187 0.400 A 39 PRO CD C 13 51.080 0.400 A 39 PRO CG C 13 28.010 0.400 A 40 LEU H H 1 9.039 0.020 A 40 LEU HA H 1 3.763 0.020 A 40 LEU HB2 H 1 1.673 0.020 A 40 LEU HB3 H 1 1.018 0.020 A 40 LEU HDx% H 1 0.538 0.020 A 40 LEU HDy% H 1 0.581 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 57.410 0.400 A 40 LEU CB C 13 41.635 0.400 A 40 LEU CD1 C 13 26.572 0.400 A 40 LEU CD2 C 13 24.672 0.400 A 40 LEU CG C 13 29.171 0.400 A 40 LEU N N 15 122.652 0.400 A 41 SER H H 1 8.352 0.020 A 41 SER HA H 1 3.911 0.020 A 41 SER C C 13 175.944 0.400 A 41 SER CA C 13 62.095 0.400 A 41 SER N N 15 115.534 0.400 A 42 LYS H H 1 7.710 0.020 A 42 LYS HA H 1 3.944 0.020 A 42 LYS HB2 H 1 1.724 0.020 A 42 LYS HB3 H 1 1.863 0.020 A 42 LYS HDx H 1 1.669 0.020 A 42 LYS HDy H 1 1.669 0.020 A 42 LYS HEx H 1 2.975 0.020 A 42 LYS HEy H 1 2.975 0.020 A 42 LYS HGx H 1 1.397 0.020 A 42 LYS HGy H 1 1.518 0.020 A 42 LYS C C 13 179.055 0.400 A 42 LYS CA C 13 59.789 0.400 A 42 LYS CB C 13 32.204 0.400 A 42 LYS CD C 13 29.052 0.400 A 42 LYS CE C 13 42.109 0.400 A 42 LYS CG C 13 25.336 0.400 A 42 LYS N N 15 119.411 0.400 A 43 LEU H H 1 6.991 0.020 A 43 LEU HA H 1 3.560 0.020 A 43 LEU HB2 H 1 1.359 0.020 A 43 LEU HB3 H 1 1.413 0.020 A 43 LEU HDx% H 1 0.133 0.020 A 43 LEU HDy% H 1 0.353 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 58.004 0.400 A 43 LEU CB C 13 42.088 0.400 A 43 LEU CD1 C 13 23.993 0.400 A 43 LEU CD2 C 13 27.657 0.400 A 43 LEU CG C 13 26.396 0.400 A 43 LEU N N 15 122.133 0.400 A 44 MET H H 1 8.264 0.020 A 44 MET HA H 1 3.243 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 1.450 0.020 A 44 MET HGx H 1 0.210 0.020 A 44 MET HGy H 1 1.839 0.020 A 44 MET C C 13 177.827 0.400 A 44 MET CA C 13 59.623 0.400 A 44 MET CB C 13 32.771 0.400 A 44 MET CE C 13 17.577 0.400 A 44 MET CG C 13 31.456 0.400 A 44 MET N N 15 119.066 0.400 A 45 LYS H H 1 8.276 0.020 A 45 LYS HA H 1 3.972 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 HGx H 1 1.382 0.020 A 45 LYS HGy H 1 1.541 0.020 A 45 LYS C C 13 178.769 0.400 A 45 LYS CA C 13 59.871 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 25.716 0.400 A 45 LYS N N 15 118.638 0.400 A 46 ALA H H 1 7.542 0.020 A 46 ALA HA H 1 4.233 0.020 A 46 ALA HB% H 1 1.524 0.020 A 46 ALA C C 13 180.750 0.400 A 46 ALA CA C 13 55.038 0.400 A 46 ALA CB C 13 18.475 0.400 A 46 ALA N N 15 121.840 0.400 A 47 TYR H H 1 8.847 0.020 A 47 TYR HA H 1 4.069 0.020 A 47 TYR HB2 H 1 3.269 0.020 A 47 TYR HB3 H 1 3.009 0.020 A 47 TYR HD1 H 1 7.066 0.020 A 47 TYR HD2 H 1 7.066 0.020 A 47 TYR HE1 H 1 6.636 0.020 A 47 TYR HE2 H 1 6.636 0.020 A 47 TYR C C 13 176.899 0.400 A 47 TYR CA C 13 62.994 0.400 A 47 TYR CB C 13 38.197 0.400 A 47 TYR CD2 C 13 131.890 0.400 A 47 TYR CE1 C 13 118.723 0.400 A 47 TYR CE2 C 13 118.723 0.400 A 47 TYR N N 15 120.288 0.400 A 48 CYS H H 1 8.366 0.020 A 48 CYS HA H 1 3.754 0.020 A 48 CYS HBx H 1 3.082 0.020 A 48 CYS HBy H 1 3.163 0.020 A 48 CYS C C 13 177.235 0.400 A 48 CYS CA C 13 65.706 0.400 A 48 CYS CB C 13 26.125 0.400 A 48 CYS N N 15 117.129 0.400 A 49 GLU H H 1 8.287 0.020 A 49 GLU HA H 1 4.050 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 2.421 0.020 A 49 GLU C C 13 179.244 0.400 A 49 GLU CA C 13 59.146 0.400 A 49 GLU CB C 13 29.547 0.400 A 49 GLU CG C 13 36.422 0.400 A 49 GLU N N 15 118.750 0.400 A 50 ARG H H 1 8.022 0.020 A 50 ARG HA H 1 4.045 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 HD2 H 1 3.119 0.020 A 50 ARG HD3 H 1 3.170 0.020 A 50 ARG HGx H 1 1.765 0.020 A 50 ARG HGy H 1 1.765 0.020 A 50 ARG C C 13 178.053 0.400 A 50 ARG CA C 13 58.720 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 26.928 0.400 A 50 ARG N N 15 119.692 0.400 A 51 GLN H H 1 7.757 0.020 A 51 GLN HA H 1 4.251 0.020 A 51 GLN HB2 H 1 1.349 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 6.773 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 13 176.189 0.400 A 51 GLN CA C 13 54.707 0.400 A 51 GLN CB C 13 30.485 0.400 A 51 GLN CG C 13 33.597 0.400 A 51 GLN N N 15 112.560 0.400 A 51 GLN NE2 N 15 109.415 0.400 A 52 GLY H H 1 7.717 0.020 A 52 GLY HAx H 1 3.890 0.020 A 52 GLY HAy H 1 3.890 0.020 A 52 GLY C C 13 174.534 0.400 A 52 GLY CA C 13 46.763 0.400 A 52 GLY N N 15 109.931 0.400 A 53 LEU H H 1 8.072 0.020 A 53 LEU HA H 1 4.665 0.020 A 53 LEU HB2 H 1 1.381 0.020 A 53 LEU HB3 H 1 1.451 0.020 A 53 LEU HDx% H 1 0.824 0.020 A 53 LEU HDy% H 1 0.788 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 52.898 0.400 A 53 LEU CB C 13 45.944 0.400 A 53 LEU CD1 C 13 26.314 0.400 A 53 LEU CD2 C 13 22.480 0.400 A 53 LEU CG C 13 26.363 0.400 A 53 LEU N N 15 119.090 0.400 A 54 SER H H 1 8.528 0.020 A 54 SER HA H 1 4.729 0.020 A 54 SER HB2 H 1 3.780 0.020 A 54 SER HB3 H 1 3.939 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 64.421 0.400 A 54 SER N N 15 114.717 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 2.059 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 13 177.479 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 17.004 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 8.044 0.020 A 56 ARG HA H 1 4.269 0.020 A 56 ARG HB2 H 1 1.781 0.020 A 56 ARG HB3 H 1 1.887 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 7.231 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 13 177.454 0.400 A 56 ARG CA C 13 57.480 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 15 114.267 0.400 A 56 ARG NE N 15 84.973 0.400 A 57 GLN H H 1 7.825 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 7.589 0.020 A 57 GLN HE22 H 1 6.937 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 13 175.187 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 15 115.692 0.400 A 57 GLN NE2 N 15 112.023 0.400 A 58 ILE H H 1 7.330 0.020 A 58 ILE HA H 1 4.967 0.020 A 58 ILE HB H 1 1.640 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 0.620 0.020 A 58 ILE C C 13 174.254 0.400 A 58 ILE CA C 13 58.963 0.400 A 58 ILE CB C 13 41.220 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 19.142 0.400 A 58 ILE N N 15 115.269 0.400 A 59 ARG H H 1 8.481 0.020 A 59 ARG HA H 1 4.615 0.020 A 59 ARG HBy H 1 1.721 0.020 A 59 ARG HBx H 1 1.335 0.020 A 59 ARG HDx H 1 3.142 0.020 A 59 ARG HDy H 1 3.256 0.020 A 59 ARG HE H 1 7.377 0.020 A 59 ARG HGx H 1 1.445 0.020 A 59 ARG HGy H 1 1.497 0.020 A 59 ARG C C 13 173.710 0.400 A 59 ARG CA C 13 53.767 0.400 A 59 ARG CB C 13 33.272 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 15 121.193 0.400 A 59 ARG NE N 15 84.011 0.400 A 60 PHE H H 1 9.077 0.020 A 60 PHE HA H 1 5.312 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 6.842 0.020 A 60 PHE HE2 H 1 6.842 0.020 A 60 PHE HZ H 1 7.222 0.020 A 60 PHE C C 13 176.008 0.400 A 60 PHE CA C 13 56.197 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 13 130.732 0.400 A 60 PHE CE2 C 13 130.732 0.400 A 60 PHE CZ C 13 130.886 0.400 A 60 PHE N N 15 120.143 0.400 A 61 ARG H H 1 9.557 0.020 A 61 ARG HA H 1 5.215 0.020 A 61 ARG HB2 H 1 1.531 0.020 A 61 ARG HB3 H 1 1.719 0.020 A 61 ARG HD2 H 1 2.670 0.020 A 61 ARG HD3 H 1 2.708 0.020 A 61 ARG HE H 1 7.167 0.020 A 61 ARG HG2 H 1 1.273 0.020 A 61 ARG HG3 H 1 1.402 0.020 A 61 ARG C C 13 173.746 0.400 A 61 ARG CA C 13 54.878 0.400 A 61 ARG CB C 13 35.959 0.400 A 61 ARG CD C 13 43.619 0.400 A 61 ARG CG C 13 27.791 0.400 A 61 ARG N N 15 121.905 0.400 A 61 ARG NE N 15 83.640 0.400 A 62 PHE H H 1 8.993 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 7.277 0.020 A 62 PHE HE2 H 1 7.277 0.020 A 62 PHE HZ H 1 7.346 0.020 A 62 PHE C C 13 175.229 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 13 131.658 0.400 A 62 PHE CE2 C 13 131.684 0.400 A 62 PHE CZ C 13 131.038 0.400 A 62 PHE N N 15 120.262 0.400 A 63 ASP H H 1 9.496 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 1.413 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 39.233 0.400 A 63 ASP N N 15 132.180 0.400 A 64 GLY H H 1 8.722 0.020 A 64 GLY HA2 H 1 3.460 0.020 A 64 GLY HA3 H 1 4.129 0.020 A 64 GLY C C 13 173.980 0.400 A 64 GLY CA C 13 45.237 0.400 A 64 GLY N N 15 102.559 0.400 A 65 GLN H H 1 7.878 0.020 A 65 GLN HA H 1 4.904 0.020 A 65 GLN HBx H 1 2.045 0.020 A 65 GLN HBy 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 HG2 H 1 2.396 0.020 A 65 GLN HG3 H 1 2.326 0.020 A 65 GLN C C 13 173.282 0.400 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 32.987 0.400 A 65 GLN N N 15 120.799 0.400 A 65 GLN NE2 N 15 112.576 0.400 A 66 PRO HA H 1 4.691 0.020 A 66 PRO HB2 H 1 2.327 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 2.172 0.020 A 66 PRO C C 13 176.295 0.400 A 66 PRO CA C 13 63.299 0.400 A 66 PRO CB C 13 32.410 0.400 A 66 PRO CD C 13 50.873 0.400 A 66 PRO CG C 13 27.723 0.400 A 67 ILE H H 1 7.914 0.020 A 67 ILE HA H 1 4.399 0.020 A 67 ILE HB H 1 1.654 0.020 A 67 ILE HD1% H 1 0.624 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 0.849 0.020 A 67 ILE C C 13 175.006 0.400 A 67 ILE CA C 13 60.322 0.400 A 67 ILE CB C 13 40.314 0.400 A 67 ILE CD1 C 13 15.068 0.400 A 67 ILE CG1 C 13 26.817 0.400 A 67 ILE CG2 C 13 19.510 0.400 A 67 ILE N N 15 119.571 0.400 A 68 ASN H H 1 9.208 0.020 A 68 ASN HA H 1 4.976 0.020 A 68 ASN HB2 H 1 2.609 0.020 A 68 ASN HB3 H 1 2.774 0.020 A 68 ASN HD21 H 1 6.979 0.020 A 68 ASN HD22 H 1 7.997 0.020 A 68 ASN C C 13 175.971 0.400 A 68 ASN CA C 13 51.994 0.400 A 68 ASN CB C 13 41.074 0.400 A 68 ASN N N 15 123.953 0.400 A 68 ASN ND2 N 15 116.635 0.400 A 69 GLU H H 1 9.077 0.020 A 69 GLU HA H 1 3.741 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 2.235 0.020 A 69 GLU HG3 H 1 2.319 0.020 A 69 GLU C C 13 175.838 0.400 A 69 GLU CA C 13 59.799 0.400 A 69 GLU CB C 13 30.629 0.400 A 69 GLU CG C 13 37.611 0.400 A 69 GLU N N 15 120.143 0.400 A 70 THR H H 1 7.237 0.020 A 70 THR HA H 1 4.158 0.020 A 70 THR HB H 1 4.472 0.020 A 70 THR HG2% H 1 1.189 0.020 A 70 THR C C 13 175.613 0.400 A 70 THR CA C 13 61.574 0.400 A 70 THR CB C 13 69.309 0.400 A 70 THR CG2 C 13 21.942 0.400 A 70 THR N N 15 102.126 0.400 A 71 ASP H H 1 7.545 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 2.415 0.020 A 71 ASP C C 13 175.050 0.400 A 71 ASP CA C 13 55.242 0.400 A 71 ASP CB C 13 42.034 0.400 A 71 ASP N N 15 123.257 0.400 A 72 THR H H 1 7.416 0.020 A 72 THR HA H 1 5.040 0.020 A 72 THR HB H 1 4.408 0.020 A 72 THR HG2% H 1 0.961 0.020 A 72 THR C C 13 173.366 0.400 A 72 THR CA C 13 57.480 0.400 A 72 THR CB C 13 69.394 0.400 A 72 THR CG2 C 13 21.141 0.400 A 72 THR N N 15 108.703 0.400 A 73 PRO HA H 1 4.207 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 13 178.772 0.400 A 73 PRO CA C 13 65.600 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 8.296 0.020 A 74 ALA HA H 1 4.028 0.020 A 74 ALA HB% H 1 0.987 0.020 A 74 ALA C C 13 181.479 0.400 A 74 ALA CA C 13 54.630 0.400 A 74 ALA CB C 13 18.428 0.400 A 74 ALA N N 15 116.924 0.400 A 75 GLN H H 1 7.978 0.020 A 75 GLN HA H 1 3.989 0.020 A 75 GLN HBx H 1 2.121 0.020 A 75 GLN HBy H 1 2.289 0.020 A 75 GLN HE2x H 1 6.775 0.020 A 75 GLN HE2y H 1 7.477 0.020 A 75 GLN HGx H 1 2.438 0.020 A 75 GLN HGy H 1 2.438 0.020 A 75 GLN C C 13 177.971 0.400 A 75 GLN CA C 13 58.460 0.400 A 75 GLN CB C 13 28.722 0.400 A 75 GLN CG C 13 33.702 0.400 A 75 GLN N N 15 120.198 0.400 A 75 GLN NE2 N 15 110.459 0.400 A 76 LEU H H 1 7.407 0.020 A 76 LEU HA H 1 4.327 0.020 A 76 LEU HBx H 1 1.568 0.020 A 76 LEU HBy H 1 1.650 0.020 A 76 LEU HDx% H 1 0.778 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 13 174.709 0.400 A 76 LEU CA C 13 54.373 0.400 A 76 LEU CB C 13 42.176 0.400 A 76 LEU CD1 C 13 26.256 0.400 A 76 LEU CD2 C 13 22.174 0.400 A 76 LEU CG C 13 27.438 0.400 A 76 LEU N N 15 116.933 0.400 A 77 GLU H H 1 7.692 0.020 A 77 GLU HA H 1 3.802 0.020 A 77 GLU HBx H 1 2.136 0.020 A 77 GLU HBy H 1 2.272 0.020 A 77 GLU HGx H 1 2.129 0.020 A 77 GLU HGy H 1 2.129 0.020 A 77 GLU C C 13 176.036 0.400 A 77 GLU CA C 13 57.246 0.400 A 77 GLU CB C 13 26.480 0.400 A 77 GLU CG C 13 36.772 0.400 A 77 GLU N N 15 114.084 0.400 A 78 MET H H 1 7.794 0.020 A 78 MET HA H 1 4.210 0.020 A 78 MET HB2 H 1 1.741 0.020 A 78 MET HB3 H 1 1.257 0.020 A 78 MET HE% H 1 1.153 0.020 A 78 MET HG2 H 1 1.261 0.020 A 78 MET HG3 H 1 2.128 0.020 A 78 MET C C 13 175.182 0.400 A 78 MET CA C 13 56.863 0.400 A 78 MET CB C 13 34.776 0.400 A 78 MET CE C 13 18.440 0.400 A 78 MET CG C 13 33.514 0.400 A 78 MET N N 15 116.523 0.400 A 79 GLU H H 1 9.387 0.020 A 79 GLU HA H 1 4.491 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 53.549 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 15 121.947 0.400 A 80 ASP H H 1 8.471 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 13 177.424 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 15 118.098 0.400 A 81 GLU H H 1 9.510 0.020 A 81 GLU HA H 1 3.713 0.020 A 81 GLU HBx H 1 2.218 0.020 A 81 GLU HBy H 1 2.426 0.020 A 81 GLU HG2 H 1 2.274 0.020 A 81 GLU HG3 H 1 2.048 0.020 A 81 GLU C C 13 175.549 0.400 A 81 GLU CA C 13 58.291 0.400 A 81 GLU CB C 13 26.258 0.400 A 81 GLU CG C 13 36.120 0.400 A 81 GLU N N 15 116.425 0.400 A 82 ASP H H 1 8.025 0.020 A 82 ASP HA H 1 4.866 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 55.881 0.400 A 82 ASP CB C 13 42.038 0.400 A 82 ASP N N 15 120.671 0.400 A 83 THR H H 1 8.430 0.020 A 83 THR HA H 1 5.183 0.020 A 83 THR HB H 1 3.927 0.020 A 83 THR HG2% H 1 1.061 0.020 A 83 THR C C 13 174.030 0.400 A 83 THR CA C 13 62.228 0.400 A 83 THR CB C 13 71.495 0.400 A 83 THR CG2 C 13 22.457 0.400 A 83 THR N N 15 113.661 0.400 A 84 ILE H H 1 9.469 0.020 A 84 ILE HA H 1 4.548 0.020 A 84 ILE HB H 1 1.747 0.020 A 84 ILE HD1% H 1 0.569 0.020 A 84 ILE HG12 H 1 0.784 0.020 A 84 ILE HG13 H 1 1.610 0.020 A 84 ILE HG2% H 1 0.938 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 40.992 0.400 A 84 ILE CD1 C 13 14.726 0.400 A 84 ILE CG1 C 13 28.150 0.400 A 84 ILE CG2 C 13 18.572 0.400 A 84 ILE N N 15 127.249 0.400 A 85 ASP H H 1 9.018 0.020 A 85 ASP HA H 1 5.306 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 13 174.862 0.400 A 85 ASP CA C 13 54.132 0.400 A 85 ASP CB C 13 44.907 0.400 A 85 ASP N N 15 126.432 0.400 A 86 VAL H H 1 7.797 0.020 A 86 VAL HA H 1 4.692 0.020 A 86 VAL HB H 1 1.468 0.020 A 86 VAL HGx% H 1 0.451 0.020 A 86 VAL HGy% H 1 0.289 0.020 A 86 VAL C C 13 174.851 0.400 A 86 VAL CA C 13 60.109 0.400 A 86 VAL CB C 13 34.234 0.400 A 86 VAL CG1 C 13 21.566 0.400 A 86 VAL CG2 C 13 21.960 0.400 A 86 VAL N N 15 118.699 0.400 A 87 PHE H H 1 8.671 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 6.992 0.020 A 87 PHE HD2 H 1 6.992 0.020 A 87 PHE HE1 H 1 7.107 0.020 A 87 PHE HE2 H 1 7.107 0.020 A 87 PHE HZ H 1 7.170 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 13 131.817 0.400 A 87 PHE CD2 C 13 131.817 0.400 A 87 PHE CE1 C 13 131.008 0.400 A 87 PHE CE2 C 13 131.388 0.400 A 87 PHE CZ C 13 129.683 0.400 A 87 PHE N N 15 124.649 0.400 A 88 GLN H H 1 8.655 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 HE2x H 1 6.764 0.020 A 88 GLN HE2y H 1 7.468 0.020 A 88 GLN HGx H 1 2.279 0.020 A 88 GLN HGy H 1 2.315 0.020 A 88 GLN C C 13 175.350 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 15 121.567 0.400 A 88 GLN NE2 N 15 111.238 0.400 A 89 GLN H H 1 8.347 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 7.385 0.020 A 89 GLN HE2x H 1 6.821 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 13 175.364 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 15 123.164 0.400 A 89 GLN NE2 N 15 111.881 0.400 A 90 GLN H H 1 8.705 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 7.566 0.020 A 90 GLN HE2x H 1 6.863 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 15 123.131 0.400 A 90 GLN NE2 N 15 112.791 0.400 A 91 THR H H 1 8.359 0.020 A 91 THR HA H 1 4.355 0.020 A 91 THR HB H 1 4.228 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 62.013 0.400 A 91 THR CB C 13 69.846 0.400 A 91 THR CG2 C 13 21.499 0.400 A 91 THR N N 15 115.767 0.400 A 92 GLY H H 1 8.527 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 13 173.616 0.400 A 92 GLY CA C 13 45.293 0.400 A 92 GLY N N 15 111.903 0.400 A 93 GLY H H 1 8.035 0.020 A 93 GLY HAx H 1 3.727 0.020 A 93 GLY HAy H 1 3.727 0.020 A 93 GLY C C 13 179.138 0.400 A 93 GLY CA C 13 45.971 0.400 A 93 GLY N N 15 115.292 0.400 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 60 PHE HA A 67 ILE HD1% 1.0 1.8 4.25 2 2 A 67 ILE HD1% A 60 PHE HB2 1.0 1.8 3.42 3 3 A 47 TYR HE% A 53 LEU HDy% 1.0 1.8 4.43 4 4 A 78 MET HE% A 84 ILE HG2% 1.0 1.8 4.01 5 5 A 69 GLU HG3 A 70 THR HG2% 1.0 1.8 4.07 6 6 A 44 MET HE% A 55 MET HE% 1.0 1.8 4.05 7 7 A 44 MET HE% A 69 GLU HB3 1.0 1.8 4.24 8 8 A 86 VAL HB A 25 GLN HGx 1.0 1.8 5.11 9 8 A 25 GLN HGy A 86 VAL HB 1.0 1.8 5.11 10 9 A 35 LYS HBy A 38 THR HA 1.0 1.8 4.34 11 10 A 61 ARG HD3 A 85 ASP HBx 1.0 1.8 4.80 12 10 A 61 ARG HD3 A 85 ASP HBy 1.0 1.8 4.80 13 11 A 22 VAL HGx% A 32 PHE HE% 1.0 1.8 4.07 14 12 A 22 VAL HGx% A 22 VAL HA 1.0 1.8 3.57 15 13 A 43 LEU HDx% A 60 PHE HD% 1.0 1.8 3.72 16 14 A 55 MET HE% A 43 LEU HDx% 1.0 1.8 5.22 17 15 A 43 LEU HDx% A 44 MET HBx 1.0 1.8 3.95 18 15 A 43 LEU HDx% A 44 MET HBy 1.0 1.8 3.95 19 16 A 43 LEU HDx% A 43 LEU HB3 1.0 1.8 3.37 20 17 A 84 ILE HG2% A 43 LEU HDx% 1.0 1.8 4.16 21 18 A 86 VAL HGy% A 87 PHE H 1.0 1.8 3.75 22 19 A 86 VAL HGy% A 59 ARG H 1.0 1.8 4.59 23 20 A 86 VAL HGy% A 60 PHE HZ 1.0 1.8 4.09 24 21 A 60 PHE HD% A 86 VAL HGy% 1.0 1.8 3.25 25 22 A 47 TYR HE% A 86 VAL HGy% 1.0 1.8 3.54 26 23 A 60 PHE HA A 86 VAL HGy% 1.0 1.8 3.49 27 24 A 86 VAL HGy% A 86 VAL HA 1.0 1.8 3.36 28 25 A 86 VAL HGy% A 24 GLY HA3 1.0 1.8 4.21 29 26 A 84 ILE HG2% A 86 VAL HGy% 1.0 1.8 3.78 30 27 A 86 VAL HGy% A 58 ILE HD1% 1.0 1.8 3.27 31 28 A 22 VAL HGx% A 86 VAL HGy% 1.0 1.8 2.90 32 29 A 20 LEU H A 43 LEU HDy% 1.0 1.8 4.71 33 30 A 60 PHE HD% A 43 LEU HDy% 1.0 1.8 5.19 34 31 A 43 LEU HDy% A 22 VAL HB 1.0 1.8 5.91 35 32 A 43 LEU HDy% A 73 PRO HG3 1.0 1.8 6.00 36 33 A 43 LEU HDy% A 20 LEU HB2 1.0 1.8 3.52 37 34 A 43 LEU HDy% A 20 LEU HB3 1.0 1.8 4.14 38 35 A 84 ILE HG2% A 43 LEU HDy% 1.0 1.8 5.20 39 36 A 25 GLN H A 86 VAL HGx% 1.0 1.8 4.44 40 37 A 87 PHE H A 86 VAL HGx% 1.0 1.8 3.36 41 38 A 60 PHE HA A 86 VAL HGx% 1.0 1.8 3.66 42 39 A 86 VAL HA A 86 VAL HGx% 1.0 1.8 3.35 43 40 A 86 VAL HGx% A 25 GLN HGx 1.0 1.8 4.54 44 40 A 25 GLN HGy A 86 VAL HGx% 1.0 1.8 4.54 45 41 A 18 ILE HD1% A 79 GLU H 1.0 1.8 4.60 46 42 A 18 ILE HD1% A 19 ASN H 1.0 1.8 4.33 47 43 A 18 ILE HD1% A 80 ASP HA 1.0 1.8 3.58 48 44 A 18 ILE HD1% A 73 PRO HB2 1.0 1.8 3.62 49 45 A 18 ILE HD1% A 78 MET HB2 1.0 1.8 3.84 50 46 A 18 ILE HD1% A 18 ILE HB 1.0 1.8 3.29 51 47 A 18 ILE HD1% A 20 LEU HDy% 1.0 1.8 2.94 52 48 A 40 LEU H A 40 LEU HDx% 1.0 1.8 4.16 53 49 A 40 LEU HDx% A 40 LEU HA 1.0 1.8 3.97 54 50 A 40 LEU HDx% A 71 ASP HB3 1.0 1.8 4.45 55 51 A 22 VAL HA A 84 ILE HD1% 1.0 1.8 4.56 56 52 A 84 ILE HD1% A 84 ILE HA 1.0 1.8 4.04 57 53 A 20 LEU HB3 A 84 ILE HD1% 1.0 1.8 3.41 58 54 A 43 LEU HDy% A 84 ILE HD1% 1.0 1.8 3.38 59 55 A 40 LEU HDy% A 74 ALA H 1.0 1.8 5.18 60 56 A 40 LEU HDy% A 43 LEU H 1.0 1.8 5.06 61 57 A 40 LEU HDy% A 72 THR HA 1.0 1.8 4.53 62 58 A 73 PRO HB2 A 40 LEU HDy% 1.0 1.8 4.19 63 59 A 40 LEU HDy% A 40 LEU HB2 1.0 1.8 3.43 64 60 A 43 LEU HDx% A 40 LEU HDy% 1.0 1.8 3.86 65 61 A 20 LEU HB3 A 20 LEU HDx% 1.0 1.8 3.52 66 62 A 58 ILE HG2% A 60 PHE HE% 1.0 1.8 5.10 67 63 A 58 ILE HG2% A 88 GLN HA 1.0 1.8 3.39 68 64 A 58 ILE HG2% A 88 GLN HGy 1.0 1.8 3.46 69 65 A 58 ILE HG2% A 58 ILE HG12 1.0 1.8 3.23 70 66 A 67 ILE HD1% A 68 ASN H 1.0 1.8 4.80 71 67 A 67 ILE HD1% A 85 ASP H 1.0 1.8 4.81 72 68 A 67 ILE HD1% A 62 PHE HD% 1.0 1.8 4.25 73 69 A 67 ILE HD1% A 67 ILE HA 1.0 1.8 4.39 74 70 A 67 ILE HD1% A 60 PHE HB3 1.0 1.8 3.68 75 71 A 67 ILE HD1% A 67 ILE HG2% 1.0 1.8 2.75 76 72 A 59 ARG H A 58 ILE HD1% 1.0 1.8 3.96 77 73 A 34 ILE HD1% A 35 LYS H 1.0 1.8 3.99 78 74 A 60 PHE HZ A 58 ILE HD1% 1.0 1.8 3.80 79 75 A 34 ILE HD1% A 34 ILE HA 1.0 1.8 4.33 80 76 A 58 ILE HD1% A 58 ILE HB 1.0 1.8 3.15 81 77 A 34 ILE HD1% A 38 THR HG2% 1.0 1.8 2.73 82 78 A 43 LEU HDy% A 34 ILE HD1% 1.0 1.8 3.16 83 79 A 43 LEU HDx% A 34 ILE HD1% 1.0 1.8 4.24 84 80 A 18 ILE HG2% A 36 ARG H 1.0 1.8 5.69 85 81 A 18 ILE HG2% A 18 ILE HA 1.0 1.8 3.31 86 82 A 18 ILE HG2% A 80 ASP HBx 1.0 1.8 3.59 87 82 A 18 ILE HG2% A 80 ASP HBy 1.0 1.8 3.59 88 83 A 18 ILE HD1% A 18 ILE HG2% 1.0 1.8 3.05 89 84 A 22 VAL H A 22 VAL HGy% 1.0 1.8 3.62 90 85 A 22 VAL HGy% A 21 LYS H 1.0 1.8 4.88 91 86 A 22 VAL HGy% A 30 VAL H 1.0 1.8 5.23 92 87 A 30 VAL HGx% A 32 PHE HD% 1.0 1.8 4.07 93 88 A 30 VAL HGx% A 47 TYR HD% 1.0 1.8 4.46 94 89 A 22 VAL HGy% A 32 PHE HD% 1.0 1.8 3.66 95 90 A 22 VAL HGy% A 31 GLN HA 1.0 1.8 4.43 96 91 A 22 VAL HGy% A 32 PHE HB3 1.0 1.8 5.37 97 92 A 22 VAL HGy% A 21 LYS HG2 1.0 1.8 5.12 98 93 A 43 LEU HDy% A 22 VAL HGy% 1.0 1.8 3.48 99 94 A 35 LYS H A 34 ILE HG2% 1.0 1.8 3.92 100 95 A 34 ILE HA A 34 ILE HG2% 1.0 1.8 3.33 101 96 A 38 THR HG2% A 34 ILE HG2% 1.0 1.8 3.12 102 97 A 43 LEU HB3 A 34 ILE HG2% 1.0 1.8 3.58 103 98 A 43 LEU HDx% A 34 ILE HG2% 1.0 1.8 4.96 104 99 A 53 LEU H A 53 LEU HDy% 1.0 1.8 4.51 105 100 A 23 ALA HB% A 29 VAL HGx% 1.0 1.8 3.29 106 101 A 76 LEU HA A 76 LEU HDx% 1.0 1.8 4.16 107 102 A 73 PRO HG3 A 18 ILE HG12 1.0 1.8 4.44 108 103 A 53 LEU HA A 53 LEU HDx% 1.0 1.8 4.24 109 104 A 60 PHE HB2 A 67 ILE HG12 1.0 1.8 4.70 110 105 A 23 ALA HA A 29 VAL HGx% 1.0 1.8 4.03 111 106 A 29 VAL HA A 29 VAL HGx% 1.0 1.8 3.21 112 107 A 18 ILE HB A 20 LEU HDy% 1.0 1.8 4.81 113 108 A 67 ILE HG2% A 67 ILE H 1.0 1.8 3.86 114 109 A 67 ILE HG2% A 71 ASP HB2 1.0 1.8 4.17 115 110 A 60 PHE HB3 A 67 ILE HG2% 1.0 1.8 5.00 116 111 A 67 ILE HG2% A 63 ASP HB2 1.0 1.8 5.47 117 112 A 76 LEU H A 76 LEU HDy% 1.0 1.8 3.86 118 113 A 29 VAL HA A 29 VAL HGy% 1.0 1.8 3.21 119 114 A 72 THR HG2% A 75 GLN H 1.0 1.8 4.78 120 115 A 84 ILE HG2% A 85 ASP HA 1.0 1.8 4.51 121 116 A 60 PHE HB2 A 84 ILE HG2% 1.0 1.8 4.22 122 117 A 67 ILE HD1% A 84 ILE HG2% 1.0 1.8 2.88 123 118 A 72 THR HG2% A 72 THR H 1.0 1.8 3.32 124 119 A 72 THR HG2% A 39 PRO HA 1.0 1.8 3.17 125 120 A 71 ASP HB2 A 72 THR HG2% 1.0 1.8 5.85 126 121 A 72 THR HB A 74 ALA HB% 1.0 1.8 4.39 127 122 A 74 ALA HB% A 73 PRO HDx 1.0 1.8 4.22 128 122 A 74 ALA HB% A 73 PRO HDy 1.0 1.8 4.22 129 123 A 74 ALA HB% A 75 GLN HGx 1.0 1.8 5.08 130 123 A 74 ALA HB% A 75 GLN HGy 1.0 1.8 5.08 131 124 A 73 PRO HB2 A 74 ALA HB% 1.0 1.8 4.85 132 125 A 74 ALA HB% A 75 GLN HBx 1.0 1.8 5.16 133 126 A 22 VAL H A 30 VAL HGy% 1.0 1.8 5.30 134 127 A 83 THR HG2% A 84 ILE H 1.0 1.8 3.41 135 128 A 83 THR HG2% A 83 THR H 1.0 1.8 4.09 136 129 A 84 ILE HA A 83 THR HG2% 1.0 1.8 4.58 137 130 A 83 THR HG2% A 84 ILE HB 1.0 1.8 4.43 138 131 A 84 ILE HD1% A 83 THR HG2% 1.0 1.8 4.68 139 132 A 58 ILE HG12 A 53 LEU HB3 1.0 1.8 4.16 140 133 A 91 THR HG2% A 92 GLY H 1.0 1.8 4.71 141 134 A 78 MET HE% A 84 ILE HA 1.0 1.8 4.76 142 135 A 78 MET HE% A 73 PRO HA 1.0 1.8 4.57 143 136 A 78 MET HE% A 78 MET HA 1.0 1.8 4.90 144 137 A 78 MET HE% A 78 MET HG3 1.0 1.8 3.23 145 138 A 18 ILE H A 35 LYS HGy 1.0 1.8 5.40 146 139 A 35 LYS HGy A 17 HIS HA 1.0 1.8 4.02 147 140 A 70 THR HG2% A 71 ASP H 1.0 1.8 3.83 148 141 A 70 THR HG2% A 68 ASN HB3 1.0 1.8 4.31 149 142 A 19 ASN H A 33 LYS HG3 1.0 1.8 5.47 150 143 A 20 LEU H A 33 LYS HG3 1.0 1.8 6.00 151 144 A 33 LYS HG3 A 34 ILE H 1.0 1.8 5.97 152 145 A 61 ARG HG2 A 66 PRO HA 1.0 1.8 4.75 153 146 A 20 LEU H A 18 ILE HG13 1.0 1.8 5.05 154 147 A 20 LEU H A 20 LEU HG 1.0 1.8 4.44 155 148 A 1 MET HA A 2 ALA HB% 1.0 1.8 4.77 156 149 A 12 THR H A 11 LYS HGx 1.0 1.8 4.69 157 149 A 11 LYS HGy A 12 THR H 1.0 1.8 4.69 158 150 A 42 LYS HEx A 42 LYS HGx 1.0 1.8 3.91 159 150 A 42 LYS HEy A 42 LYS HGx 1.0 1.8 3.91 160 151 A 22 VAL HA A 23 ALA HB% 1.0 1.8 3.95 161 152 A 38 THR HG2% A 34 ILE HB 1.0 1.8 4.04 162 153 A 19 ASN H A 33 LYS HDx 1.0 1.8 6.00 163 153 A 19 ASN H A 33 LYS HDy 1.0 1.8 6.00 164 154 A 34 ILE H A 33 LYS HDx 1.0 1.8 6.00 165 154 A 34 ILE H A 33 LYS HDy 1.0 1.8 6.00 166 155 A 33 LYS HA A 33 LYS HDx 1.0 1.8 4.30 167 155 A 33 LYS HDy A 33 LYS HA 1.0 1.8 4.30 168 156 A 43 LEU HB3 A 32 PHE HB3 1.0 1.8 3.96 169 157 A 38 THR HG2% A 39 PRO HD3 1.0 1.8 3.35 170 158 A 38 THR HG2% A 39 PRO HG3 1.0 1.8 4.13 171 159 A 63 ASP HB3 A 64 GLY H 1.0 1.8 4.64 172 160 A 62 PHE HD% A 63 ASP HB3 1.0 1.8 4.10 173 161 A 6 PRO HD2 A 5 LYS HGx 1.0 1.8 4.80 174 161 A 5 LYS HGy A 6 PRO HD2 1.0 1.8 4.80 175 162 A 7 LYS HDx A 7 LYS HGx 1.0 1.8 2.40 176 162 A 7 LYS HDy A 7 LYS HGx 1.0 1.8 2.40 177 162 A 7 LYS HGy A 7 LYS HDx 1.0 1.8 2.40 178 162 A 7 LYS HGy A 7 LYS HDy 1.0 1.8 2.40 179 163 A 44 MET HE% A 67 ILE HA 1.0 1.8 4.96 180 164 A 44 MET HE% A 44 MET HA 1.0 1.8 4.59 181 165 A 44 MET HE% A 60 PHE HB3 1.0 1.8 3.69 182 166 A 39 PRO HB3 A 40 LEU HG 1.0 1.8 5.92 183 167 A 86 VAL HB A 25 GLN H 1.0 1.8 4.67 184 168 A 32 PHE HD% A 21 LYS HB3 1.0 1.8 6.00 185 169 A 86 VAL HB A 47 TYR HD% 1.0 1.8 6.00 186 170 A 86 VAL HB A 60 PHE HD% 1.0 1.8 6.00 187 171 A 86 VAL HB A 85 ASP HA 1.0 1.8 4.67 188 172 A 86 VAL HB A 24 GLY HA3 1.0 1.8 4.60 189 173 A 35 LYS H A 35 LYS HDx 1.0 1.8 4.81 190 173 A 35 LYS H A 35 LYS HDy 1.0 1.8 4.81 191 174 A 16 ASP HBy A 35 LYS HDx 1.0 1.8 4.66 192 174 A 16 ASP HBx A 35 LYS HDx 1.0 1.8 4.66 193 174 A 35 LYS HDy A 16 ASP HBx 1.0 1.8 4.66 194 174 A 35 LYS HDy A 16 ASP HBy 1.0 1.8 4.66 195 175 A 42 LYS HEy A 42 LYS HGy 1.0 1.8 3.91 196 175 A 42 LYS HGy A 42 LYS HEx 1.0 1.8 3.91 197 176 A 45 LYS H A 46 ALA HB% 1.0 1.8 4.23 198 177 A 46 ALA HB% A 32 PHE HZ 1.0 1.8 4.23 199 178 A 46 ALA HB% A 47 TYR HB2 1.0 1.8 4.54 200 179 A 46 ALA HB% A 47 TYR HB3 1.0 1.8 4.57 201 180 A 46 ALA HB% A 45 LYS HBx 1.0 1.8 4.06 202 180 A 46 ALA HB% A 45 LYS HBy 1.0 1.8 4.06 203 181 A 43 LEU HDy% A 46 ALA HB% 1.0 1.8 5.64 204 182 A 34 ILE H A 33 LYS HB2 1.0 1.8 5.45 205 183 A 30 VAL H A 21 LYS HDx 1.0 1.8 4.28 206 183 A 30 VAL H A 21 LYS HDy 1.0 1.8 4.28 207 184 A 31 GLN HA A 21 LYS HDx 1.0 1.8 4.37 208 184 A 31 GLN HA A 21 LYS HDy 1.0 1.8 4.37 209 185 A 83 THR HG2% A 21 LYS HDx 1.0 1.8 3.89 210 185 A 83 THR HG2% A 21 LYS HDy 1.0 1.8 3.89 211 186 A 34 ILE H A 33 LYS HB3 1.0 1.8 4.80 212 187 A 58 ILE HB A 55 MET HA 1.0 1.8 5.25 213 188 A 58 ILE HB A 53 LEU HG 1.0 1.8 5.86 214 189 A 7 LYS H A 7 LYS HDx 1.0 1.8 4.61 215 189 A 7 LYS HDy A 7 LYS H 1.0 1.8 4.61 216 190 A 45 LYS H A 45 LYS HDx 1.0 1.8 4.35 217 190 A 45 LYS H A 45 LYS HDy 1.0 1.8 4.35 218 191 A 7 LYS HA A 7 LYS HDx 1.0 1.8 4.19 219 191 A 7 LYS HDy A 7 LYS HA 1.0 1.8 4.19 220 192 A 6 PRO HD2 A 5 LYS HDx 1.0 1.8 5.34 221 192 A 6 PRO HD2 A 5 LYS HDy 1.0 1.8 5.34 222 193 A 5 LYS HDy A 5 LYS HGx 1.0 1.8 2.58 223 193 A 5 LYS HGy A 5 LYS HDx 1.0 1.8 2.58 224 193 A 5 LYS HGy A 5 LYS HDy 1.0 1.8 2.58 225 193 A 5 LYS HDx A 5 LYS HGx 1.0 1.8 2.58 226 194 A 68 ASN HB3 A 67 ILE HB 1.0 1.8 6.00 227 195 A 42 LYS H A 42 LYS HDx 1.0 1.8 4.46 228 195 A 42 LYS H A 42 LYS HDy 1.0 1.8 4.46 229 196 A 6 PRO HD2 A 5 LYS HBx 1.0 1.8 4.47 230 196 A 6 PRO HD2 A 5 LYS HBy 1.0 1.8 4.47 231 197 A 42 LYS HB2 A 43 LEU HA 1.0 1.8 5.05 232 198 A 5 LYS HBy A 5 LYS HEx 1.0 1.8 4.72 233 198 A 5 LYS HEy A 5 LYS HBx 1.0 1.8 4.72 234 198 A 5 LYS HBy A 5 LYS HEy 1.0 1.8 4.72 235 198 A 5 LYS HBx A 5 LYS HEx 1.0 1.8 4.72 236 199 A 42 LYS HB2 A 42 LYS HEx 1.0 1.8 5.34 237 199 A 42 LYS HEy A 42 LYS HB2 1.0 1.8 5.34 238 200 A 7 LYS HGy A 7 LYS HBx 1.0 1.8 2.66 239 200 A 7 LYS HBx A 7 LYS HGx 1.0 1.8 2.66 240 201 A 10 VAL HGx% A 11 LYS HBx 1.0 1.8 5.29 241 201 A 10 VAL HGy% A 11 LYS HBx 1.0 1.8 5.29 242 202 A 7 LYS HGy A 7 LYS HBy 1.0 1.8 2.66 243 202 A 7 LYS HBy A 7 LYS HGx 1.0 1.8 2.66 244 203 A 56 ARG H A 56 ARG HB2 1.0 1.8 3.96 245 204 A 51 GLN H A 50 ARG HGx 1.0 1.8 4.14 246 204 A 50 ARG HGy A 51 GLN H 1.0 1.8 4.14 247 205 A 46 ALA HA A 50 ARG HGx 1.0 1.8 4.84 248 205 A 50 ARG HGy A 46 ALA HA 1.0 1.8 4.84 249 206 A 51 GLN HA A 50 ARG HGx 1.0 1.8 5.09 250 206 A 50 ARG HGy A 51 GLN HA 1.0 1.8 5.09 251 207 A 47 TYR HA A 50 ARG HGx 1.0 1.8 3.29 252 207 A 50 ARG HGy A 47 TYR HA 1.0 1.8 3.29 253 208 A 30 VAL HGx% A 50 ARG HGx 1.0 1.8 4.18 254 208 A 30 VAL HGx% A 50 ARG HGy 1.0 1.8 4.18 255 209 A 35 LYS HBy A 35 LYS H 1.0 1.8 3.43 256 210 A 10 VAL HGy% A 11 LYS HBy 1.0 1.8 5.29 257 210 A 11 LYS HBy A 10 VAL HGx% 1.0 1.8 5.29 258 211 A 43 LEU HA A 42 LYS HB3 1.0 1.8 4.93 259 212 A 13 GLU HA A 13 GLU HBx 1.0 1.8 3.01 260 212 A 13 GLU HA A 13 GLU HBy 1.0 1.8 3.01 261 213 A 8 GLU HBx A 8 GLU HGx 1.0 1.8 2.58 262 213 A 8 GLU HBy A 8 GLU HGx 1.0 1.8 2.58 263 213 A 8 GLU HGy A 8 GLU HBx 1.0 1.8 2.58 264 213 A 8 GLU HBy A 8 GLU HGy 1.0 1.8 2.58 265 214 A 42 LYS H A 42 LYS HB3 1.0 1.8 4.08 266 215 A 24 GLY H A 29 VAL HB 1.0 1.8 4.06 267 216 A 29 VAL HB A 28 SER HA 1.0 1.8 5.39 268 217 A 29 VAL HB A 30 VAL HA 1.0 1.8 5.91 269 218 A 88 GLN HB2 A 88 GLN HGx 1.0 1.8 2.78 270 219 A 67 ILE H A 66 PRO HG2 1.0 1.8 4.97 271 220 A 51 GLN HB3 A 53 LEU HB2 1.0 1.8 4.34 272 221 A 51 GLN H A 50 ARG HB3 1.0 1.8 4.84 273 222 A 51 GLN HA A 51 GLN HB3 1.0 1.8 2.84 274 223 A 44 MET HE% A 69 GLU HB2 1.0 1.8 4.69 275 224 A 73 PRO HG3 A 38 THR HB 1.0 1.8 4.85 276 225 A 22 VAL HB A 21 LYS HG3 1.0 1.8 4.80 277 226 A 49 GLU H A 49 GLU HB3 1.0 1.8 3.62 278 227 A 69 GLU HB3 A 41 SER HA 1.0 1.8 4.04 279 228 A 81 GLU HA A 81 GLU HG3 1.0 1.8 3.98 280 229 A 55 MET HE% A 45 LYS H 1.0 1.8 3.41 281 230 A 55 MET HE% A 55 MET HB3 1.0 1.8 2.76 282 231 A 55 MET HE% A 55 MET HGx 1.0 1.8 3.10 283 231 A 55 MET HE% A 55 MET HGy 1.0 1.8 3.10 284 232 A 30 VAL HB A 31 GLN H 1.0 1.8 3.97 285 233 A 31 GLN HG3 A 31 GLN HE22 1.0 1.8 3.88 286 234 A 47 TYR HE% A 30 VAL HB 1.0 1.8 4.17 287 235 A 31 GLN HG3 A 21 LYS HA 1.0 1.8 4.62 288 236 A 21 LYS HB3 A 31 GLN HG3 1.0 1.8 4.95 289 237 A 88 GLN HGy A 88 GLN HB3 1.0 1.8 2.85 290 238 A 79 GLU H A 79 GLU HGx 1.0 1.8 4.28 291 239 A 79 GLU HA A 79 GLU HGx 1.0 1.8 3.86 292 240 A 4 GLU HA A 4 GLU HGx 1.0 1.8 3.11 293 240 A 4 GLU HA A 4 GLU HGy 1.0 1.8 3.11 294 241 A 65 GLN HA A 66 PRO HG3 1.0 1.8 4.56 295 242 A 8 GLU H A 8 GLU HGx 1.0 1.8 3.84 296 242 A 8 GLU HGy A 8 GLU H 1.0 1.8 3.84 297 243 A 49 GLU H A 49 GLU HG2 1.0 1.8 3.39 298 244 A 49 GLU HG2 A 49 GLU HA 1.0 1.8 3.27 299 245 A 31 GLN HG2 A 32 PHE H 1.0 1.8 4.36 300 246 A 31 GLN HA A 31 GLN HG2 1.0 1.8 3.92 301 247 A 49 GLU HG2 A 50 ARG H 1.0 1.8 5.30 302 248 A 81 GLU HG2 A 82 ASP H 1.0 1.8 5.69 303 249 A 81 GLU HA A 81 GLU HG2 1.0 1.8 3.61 304 250 A 69 GLU HA A 69 GLU HG2 1.0 1.8 3.89 305 251 A 7 LYS H A 6 PRO HB3 1.0 1.8 4.65 306 252 A 72 THR HG2% A 39 PRO HB2 1.0 1.8 4.85 307 253 A 79 GLU HA A 79 GLU HGy 1.0 1.8 3.86 308 254 A 72 THR HG2% A 75 GLN HBy 1.0 1.8 5.39 309 255 A 88 GLN HGy A 88 GLN H 1.0 1.8 4.17 310 256 A 56 ARG H A 57 GLN HG3 1.0 1.8 5.94 311 257 A 88 GLN HGx A 88 GLN HB3 1.0 1.8 2.40 312 258 A 86 VAL HGx% A 88 GLN HGy 1.0 1.8 4.76 313 259 A 57 GLN HG3 A 57 GLN H 1.0 1.8 4.16 314 260 A 69 GLU HG3 A 44 MET HE% 1.0 1.8 5.43 315 261 A 25 GLN HB2 A 25 GLN HGx 1.0 1.8 2.83 316 261 A 25 GLN HGy A 25 GLN HB2 1.0 1.8 2.83 317 262 A 65 GLN HA A 65 GLN HG2 1.0 1.8 4.14 318 263 A 50 ARG H A 49 GLU HG3 1.0 1.8 5.09 319 264 A 75 GLN HE2y A 75 GLN HGx 1.0 1.8 3.53 320 264 A 75 GLN HGy A 75 GLN HE2y 1.0 1.8 3.53 321 265 A 1 MET HA A 1 MET HGx 1.0 1.8 4.18 322 266 A 1 MET HE% A 1 MET HGx 1.0 1.8 3.03 323 267 A 19 ASN HB3 A 81 GLU H 1.0 1.8 4.86 324 268 A 20 LEU H A 19 ASN HB3 1.0 1.8 4.37 325 269 A 31 GLN HG3 A 19 ASN HB3 1.0 1.8 4.74 326 270 A 18 ILE HB A 80 ASP HBx 1.0 1.8 3.74 327 270 A 18 ILE HB A 80 ASP HBy 1.0 1.8 3.74 328 271 A 33 LYS HDx A 33 LYS HEx 1.0 1.8 2.95 329 271 A 33 LYS HDy A 33 LYS HEx 1.0 1.8 2.95 330 271 A 33 LYS HEy A 33 LYS HDx 1.0 1.8 2.95 331 271 A 33 LYS HDy A 33 LYS HEy 1.0 1.8 2.95 332 272 A 60 PHE HB3 A 67 ILE HG13 1.0 1.8 3.19 333 273 A 70 THR HG2% A 68 ASN HB2 1.0 1.8 3.28 334 274 A 1 MET HE% A 1 MET HGy 1.0 1.8 3.03 335 275 A 31 GLN HG3 A 19 ASN HB2 1.0 1.8 4.56 336 276 A 61 ARG HD3 A 64 GLY H 1.0 1.8 4.84 337 277 A 61 ARG HD3 A 65 GLN H 1.0 1.8 4.73 338 278 A 45 LYS HDx A 55 MET HGx 1.0 1.8 4.52 339 278 A 45 LYS HDy A 55 MET HGx 1.0 1.8 4.52 340 278 A 55 MET HGy A 45 LYS HDx 1.0 1.8 4.52 341 278 A 45 LYS HDy A 55 MET HGy 1.0 1.8 4.52 342 279 A 71 ASP H A 68 ASN HB3 1.0 1.8 5.41 343 280 A 71 ASP HB2 A 72 THR H 1.0 1.8 4.63 344 281 A 21 LYS HB2 A 21 LYS HE2 1.0 1.8 3.66 345 282 A 21 LYS HE2 A 21 LYS HDx 1.0 1.8 2.99 346 282 A 21 LYS HDy A 21 LYS HE2 1.0 1.8 2.99 347 283 A 21 LYS HG2 A 21 LYS HE3 1.0 1.8 3.39 348 284 A 35 LYS HGx A 35 LYS HEx 1.0 1.8 3.77 349 285 A 42 LYS HA A 42 LYS HEx 1.0 1.8 3.75 350 285 A 42 LYS HEy A 42 LYS HA 1.0 1.8 3.75 351 286 A 45 LYS HEx A 55 MET HGx 1.0 1.8 3.29 352 286 A 45 LYS HEy A 55 MET HGx 1.0 1.8 3.29 353 286 A 55 MET HGy A 45 LYS HEx 1.0 1.8 3.29 354 286 A 55 MET HGy A 45 LYS HEy 1.0 1.8 3.29 355 287 A 45 LYS HBy A 45 LYS HEx 1.0 1.8 3.84 356 287 A 45 LYS HEy A 45 LYS HBx 1.0 1.8 3.84 357 287 A 45 LYS HBy A 45 LYS HEy 1.0 1.8 3.84 358 287 A 45 LYS HBx A 45 LYS HEx 1.0 1.8 3.84 359 288 A 7 LYS HDx A 7 LYS HEx 1.0 1.8 2.77 360 288 A 7 LYS HDy A 7 LYS HEx 1.0 1.8 2.77 361 288 A 7 LYS HEy A 7 LYS HDx 1.0 1.8 2.77 362 288 A 7 LYS HDy A 7 LYS HEy 1.0 1.8 2.77 363 289 A 67 ILE HG2% A 62 PHE HB2 1.0 1.8 4.40 364 290 A 5 LYS HDx A 5 LYS HEx 1.0 1.8 2.57 365 290 A 5 LYS HEy A 5 LYS HDx 1.0 1.8 2.57 366 290 A 5 LYS HDy A 5 LYS HEy 1.0 1.8 2.57 367 290 A 5 LYS HDy A 5 LYS HEx 1.0 1.8 2.57 368 291 A 42 LYS HDx A 42 LYS HEx 1.0 1.8 2.77 369 291 A 42 LYS HDy A 42 LYS HEx 1.0 1.8 2.77 370 291 A 42 LYS HEy A 42 LYS HDx 1.0 1.8 2.77 371 291 A 42 LYS HEy A 42 LYS HDy 1.0 1.8 2.77 372 292 A 5 LYS HEy A 5 LYS HGx 1.0 1.8 2.93 373 292 A 5 LYS HEx A 5 LYS HGx 1.0 1.8 2.93 374 292 A 5 LYS HGy A 5 LYS HEx 1.0 1.8 2.93 375 292 A 5 LYS HGy A 5 LYS HEy 1.0 1.8 2.93 376 293 A 7 LYS HEy A 7 LYS HGx 1.0 1.8 3.12 377 293 A 7 LYS HEx A 7 LYS HGx 1.0 1.8 3.12 378 293 A 7 LYS HGy A 7 LYS HEx 1.0 1.8 3.12 379 293 A 7 LYS HGy A 7 LYS HEy 1.0 1.8 3.12 380 294 A 42 LYS HB3 A 42 LYS HEx 1.0 1.8 3.46 381 294 A 42 LYS HEy A 42 LYS HB3 1.0 1.8 3.46 382 295 A 60 PHE H A 59 ARG HDx 1.0 1.8 4.62 383 296 A 47 TYR HD% A 50 ARG HD2 1.0 1.8 5.22 384 297 A 50 ARG HD3 A 51 GLN HE22 1.0 1.8 4.92 385 298 A 59 ARG HA A 59 ARG HDx 1.0 1.8 3.92 386 299 A 56 ARG H A 56 ARG HDx 1.0 1.8 3.91 387 299 A 56 ARG H A 56 ARG HDy 1.0 1.8 3.91 388 300 A 57 GLN H A 56 ARG HDx 1.0 1.8 4.53 389 300 A 57 GLN H A 56 ARG HDy 1.0 1.8 4.53 390 301 A 57 GLN HB2 A 56 ARG HDx 1.0 1.8 5.53 391 301 A 56 ARG HDy A 57 GLN HB2 1.0 1.8 5.53 392 302 A 55 MET HB2 A 56 ARG HDx 1.0 1.8 4.07 393 302 A 56 ARG HDy A 55 MET HB2 1.0 1.8 4.07 394 303 A 56 ARG HDx A 56 ARG HGx 1.0 1.8 2.52 395 303 A 56 ARG HDy A 56 ARG HGx 1.0 1.8 2.52 396 303 A 56 ARG HGy A 56 ARG HDx 1.0 1.8 2.52 397 303 A 56 ARG HDy A 56 ARG HGy 1.0 1.8 2.52 398 304 A 60 PHE H A 59 ARG HDy 1.0 1.8 4.62 399 305 A 59 ARG HA A 59 ARG HDy 1.0 1.8 3.92 400 306 A 47 TYR HD% A 44 MET HA 1.0 1.8 5.20 401 307 A 38 THR HB A 36 ARG HA 1.0 1.8 5.84 402 308 A 36 ARG HA A 36 ARG HGy 1.0 1.8 4.07 403 309 A 26 ASP HA A 27 GLY HA3 1.0 1.8 4.63 404 310 A 80 ASP HA A 81 GLU HA 1.0 1.8 4.61 405 311 A 40 LEU HA A 39 PRO HB2 1.0 1.8 5.00 406 312 A 41 SER HA A 69 GLU HA 1.0 1.8 3.76 407 313 A 40 LEU HA A 39 PRO HA 1.0 1.8 4.42 408 314 A 56 ARG H A 54 SER HB2 1.0 1.8 4.56 409 315 A 57 GLN H A 54 SER HB2 1.0 1.8 4.69 410 316 A 54 SER HB2 A 57 GLN HB3 1.0 1.8 4.13 411 317 A 38 THR HB A 73 PRO HDx 1.0 1.8 4.85 412 317 A 73 PRO HDy A 38 THR HB 1.0 1.8 4.85 413 318 A 6 PRO HD3 A 5 LYS HGx 1.0 1.8 4.91 414 318 A 5 LYS HGy A 6 PRO HD3 1.0 1.8 4.91 415 319 A 69 GLU HG3 A 41 SER HA 1.0 1.8 5.48 416 320 A 41 SER HA A 39 PRO HB2 1.0 1.8 4.82 417 321 A 40 LEU HB2 A 41 SER HA 1.0 1.8 4.46 418 322 A 10 VAL HB A 9 GLY HAx 1.0 1.8 5.02 419 322 A 9 GLY HAy A 10 VAL HB 1.0 1.8 5.02 420 323 A 9 GLY HAy A 10 VAL HGx% 1.0 1.8 3.82 421 323 A 9 GLY HAx A 10 VAL HGx% 1.0 1.8 3.82 422 323 A 10 VAL HGy% A 9 GLY HAx 1.0 1.8 3.82 423 323 A 10 VAL HGy% A 9 GLY HAy 1.0 1.8 3.82 424 324 A 42 LYS HA A 42 LYS HGx 1.0 1.8 3.93 425 325 A 55 MET HB2 A 54 SER HB3 1.0 1.8 5.40 426 326 A 76 LEU HA A 75 GLN HA 1.0 1.8 4.71 427 327 A 62 PHE HD% A 63 ASP HA 1.0 1.8 4.38 428 328 A 63 ASP HA A 62 PHE HA 1.0 1.8 4.47 429 329 A 74 ALA HA A 77 GLU HA 1.0 1.8 4.25 430 330 A 50 ARG HA A 50 ARG HGx 1.0 1.8 3.46 431 330 A 50 ARG HGy A 50 ARG HA 1.0 1.8 3.46 432 331 A 10 VAL HA A 10 VAL HGx% 1.0 1.8 2.71 433 331 A 10 VAL HGy% A 10 VAL HA 1.0 1.8 2.71 434 332 A 34 ILE HA A 38 THR HB 1.0 1.8 4.48 435 333 A 38 THR HB A 35 LYS HBx 1.0 1.8 4.70 436 334 A 24 GLY HA3 A 25 GLN HA 1.0 1.8 4.69 437 335 A 70 THR HG2% A 70 THR HA 1.0 1.8 3.22 438 336 A 78 MET HB2 A 78 MET HA 1.0 1.8 2.94 439 337 A 2 ALA HA A 3 ASP H 1.0 1.8 3.57 440 338 A 8 GLU HA A 8 GLU HGx 1.0 1.8 3.02 441 338 A 8 GLU HGy A 8 GLU HA 1.0 1.8 3.02 442 339 A 13 GLU HA A 13 GLU HGx 1.0 1.8 3.28 443 339 A 13 GLU HA A 13 GLU HGy 1.0 1.8 3.28 444 340 A 90 GLN HA A 90 GLN HBx 1.0 1.8 2.75 445 340 A 90 GLN HA A 90 GLN HBy 1.0 1.8 2.75 446 341 A 12 THR HA A 13 GLU HBx 1.0 1.8 4.99 447 341 A 13 GLU HBy A 12 THR HA 1.0 1.8 4.99 448 342 A 46 ALA HA A 45 LYS HA 1.0 1.8 4.90 449 343 A 56 ARG HA A 58 ILE H 1.0 1.8 4.76 450 344 A 55 MET HA A 55 MET HGx 1.0 1.8 4.22 451 344 A 55 MET HA A 55 MET HGy 1.0 1.8 4.22 452 345 A 12 THR HA A 13 GLU H 1.0 1.8 3.14 453 346 A 12 THR HA A 12 THR HG2% 1.0 1.8 3.19 454 347 A 76 LEU HA A 76 LEU HDy% 1.0 1.8 4.16 455 348 A 91 THR HG2% A 91 THR HA 1.0 1.8 3.21 456 349 A 11 LYS HA A 11 LYS HGx 1.0 1.8 3.37 457 349 A 11 LYS HGy A 11 LYS HA 1.0 1.8 3.37 458 350 A 57 GLN HA A 90 GLN HGx 1.0 1.8 3.56 459 350 A 57 GLN HA A 90 GLN HGy 1.0 1.8 3.56 460 351 A 15 ASN HA A 15 ASN HBx 1.0 1.8 2.92 461 351 A 15 ASN HA A 15 ASN HBy 1.0 1.8 2.92 462 352 A 23 ALA HA A 29 VAL HA 1.0 1.8 3.81 463 353 A 23 ALA HB% A 85 ASP HA 1.0 1.8 3.97 464 354 A 18 ILE HA A 19 ASN HA 1.0 1.8 4.43 465 355 A 22 VAL HGx% A 24 GLY HA2 1.0 1.8 5.73 466 356 A 22 VAL HGx% A 84 ILE HA 1.0 1.8 6.00 467 357 A 43 LEU HDx% A 21 LYS HA 1.0 1.8 5.93 468 358 A 22 VAL HA A 43 LEU HDx% 1.0 1.8 6.00 469 359 A 86 VAL HGy% A 25 GLN HGx 1.0 1.8 5.87 470 359 A 25 GLN HGy A 86 VAL HGy% 1.0 1.8 5.87 471 360 A 43 LEU HDy% A 34 ILE HA 1.0 1.8 5.77 472 361 A 43 LEU HDy% A 32 PHE HA 1.0 1.8 5.44 473 362 A 43 LEU HDy% A 40 LEU HA 1.0 1.8 5.20 474 363 A 86 VAL HGx% A 61 ARG H 1.0 1.8 5.03 475 364 A 18 ILE HD1% A 20 LEU HA 1.0 1.8 4.95 476 365 A 18 ILE HD1% A 77 GLU HA 1.0 1.8 6.00 477 366 A 40 LEU HDy% A 38 THR H 1.0 1.8 6.00 478 367 A 58 ILE HG2% A 56 ARG HDx 1.0 1.8 6.00 479 367 A 58 ILE HG2% A 56 ARG HDy 1.0 1.8 6.00 480 368 A 58 ILE HG2% A 54 SER HB2 1.0 1.8 5.96 481 369 A 58 ILE HG2% A 53 LEU H 1.0 1.8 5.82 482 370 A 22 VAL HGx% A 30 VAL HGy% 1.0 1.8 5.12 483 371 A 78 MET HE% A 76 LEU HG 1.0 1.8 3.67 484 372 A 78 MET HE% A 62 PHE HD% 1.0 1.8 3.26 485 373 A 44 MET HE% A 67 ILE H 1.0 1.8 4.91 486 374 A 47 TYR HE% A 86 VAL HB 1.0 1.8 5.07 487 375 A 46 ALA HB% A 49 GLU HG3 1.0 1.8 4.88 488 376 A 22 VAL HGy% A 46 ALA HB% 1.0 1.8 5.35 489 377 A 51 GLN HE21 A 50 ARG HGx 1.0 1.8 5.28 490 377 A 50 ARG HGy A 51 GLN HE21 1.0 1.8 5.28 491 378 A 20 LEU HB2 A 32 PHE HB2 1.0 1.8 5.73 492 379 A 22 VAL HGy% A 32 PHE HB2 1.0 1.8 5.21 493 380 A 58 ILE HG12 A 55 MET HB3 1.0 1.8 6.00 494 381 A 58 ILE HG12 A 55 MET HGx 1.0 1.8 6.00 495 381 A 58 ILE HG12 A 55 MET HGy 1.0 1.8 6.00 496 382 A 55 MET HGx A 56 ARG HDx 1.0 1.8 4.81 497 382 A 55 MET HGy A 56 ARG HDx 1.0 1.8 4.81 498 382 A 56 ARG HDy A 55 MET HGx 1.0 1.8 4.81 499 382 A 55 MET HGy A 56 ARG HDy 1.0 1.8 4.81 500 383 A 35 LYS HBy A 36 ARG HA 1.0 1.8 5.39 501 384 A 36 ARG HA A 73 PRO HB3 1.0 1.8 5.66 502 385 A 55 MET HE% A 44 MET HA 1.0 1.8 4.10 503 386 A 60 PHE HD% A 67 ILE HB 1.0 1.8 5.67 504 387 A 86 VAL HGx% A 58 ILE HB 1.0 1.8 3.52 505 388 A 30 VAL HGx% A 31 GLN H 1.0 1.8 3.17 506 389 A 30 VAL HGx% A 31 GLN HB3 1.0 1.8 4.17 507 390 A 23 ALA HB% A 29 VAL HGy% 1.0 1.8 3.29 508 391 A 44 MET HE% A 60 PHE HD% 1.0 1.8 3.41 509 392 A 44 MET HE% A 40 LEU HB3 1.0 1.8 3.67 510 393 A 57 GLN HA A 90 GLN HBx 1.0 1.8 4.18 511 393 A 90 GLN HBy A 57 GLN HA 1.0 1.8 4.18 512 394 A 55 MET HE% A 55 MET HA 1.0 1.8 3.68 513 395 A 56 ARG HB2 A 56 ARG HDx 1.0 1.8 2.89 514 395 A 56 ARG HB2 A 56 ARG HDy 1.0 1.8 2.89 515 396 A 3 ASP HA A 6 PRO HGx 1.0 1.8 3.86 516 396 A 3 ASP HA A 6 PRO HGy 1.0 1.8 3.86 517 397 A 86 VAL HGx% A 24 GLY HA2 1.0 1.8 4.04 518 398 A 31 GLN HA A 21 LYS HB3 1.0 1.8 4.50 519 399 A 17 HIS HA A 35 LYS HDx 1.0 1.8 4.22 520 399 A 17 HIS HA A 35 LYS HDy 1.0 1.8 4.22 521 400 A 58 ILE HD1% A 53 LEU HA 1.0 1.8 5.33 522 401 A 58 ILE HD1% A 59 ARG HA 1.0 1.8 5.52 523 402 A 89 GLN HA A 89 GLN HGx 1.0 1.8 3.53 524 402 A 89 GLN HA A 89 GLN HGy 1.0 1.8 3.53 525 403 A 92 GLY HAy A 93 GLY HAx 1.0 1.8 3.66 526 403 A 92 GLY HAx A 93 GLY HAx 1.0 1.8 3.66 527 403 A 93 GLY HAy A 92 GLY HAx 1.0 1.8 3.66 528 403 A 92 GLY HAy A 93 GLY HAy 1.0 1.8 3.66 529 404 A 55 MET HE% A 45 LYS HA 1.0 1.8 3.21 530 405 A 78 MET HE% A 62 PHE HB2 1.0 1.8 3.30 531 406 A 81 GLU HG2 A 80 ASP HBx 1.0 1.8 3.59 532 406 A 80 ASP HBy A 81 GLU HG2 1.0 1.8 3.59 533 407 A 81 GLU HG3 A 80 ASP HBx 1.0 1.8 3.90 534 407 A 80 ASP HBy A 81 GLU HG3 1.0 1.8 3.90 535 408 A 13 GLU HBx A 13 GLU HGx 1.0 1.8 2.40 536 408 A 13 GLU HBy A 13 GLU HGx 1.0 1.8 2.40 537 408 A 13 GLU HGy A 13 GLU HBx 1.0 1.8 2.40 538 408 A 13 GLU HBy A 13 GLU HGy 1.0 1.8 2.40 539 409 A 81 GLU HG3 A 81 GLU HBx 1.0 1.8 2.40 540 410 A 40 LEU HB2 A 40 LEU HG 1.0 1.8 2.55 541 411 A 18 ILE HB A 20 LEU HDx% 1.0 1.8 4.81 542 412 A 74 ALA HB% A 36 ARG HGy 1.0 1.8 3.48 543 413 A 42 LYS H A 42 LYS HGx 1.0 1.8 3.64 544 414 A 65 GLN H A 61 ARG HG3 1.0 1.8 4.22 545 415 A 63 ASP HB3 A 65 GLN H 1.0 1.8 4.48 546 416 A 3 ASP H A 3 ASP HBx 1.0 1.8 3.63 547 417 A 2 ALA HB% A 3 ASP H 1.0 1.8 3.68 548 418 A 10 VAL HA A 9 GLY H 1.0 1.8 5.25 549 419 A 59 ARG H A 59 ARG HGy 1.0 1.8 4.69 550 420 A 64 GLY H A 62 PHE H 1.0 1.8 4.43 551 421 A 63 ASP HB2 A 64 GLY H 1.0 1.8 4.45 552 422 A 47 TYR HD% A 47 TYR H 1.0 1.8 4.19 553 423 A 67 ILE HD1% A 60 PHE H 1.0 1.8 5.11 554 424 A 40 LEU H A 43 LEU H 1.0 1.8 6.00 555 425 A 43 LEU H A 44 MET H 1.0 1.8 3.38 556 426 A 40 LEU HA A 43 LEU H 1.0 1.8 3.80 557 427 A 43 LEU H A 44 MET HA 1.0 1.8 5.22 558 428 A 43 LEU H A 42 LYS HEx 1.0 1.8 5.08 559 428 A 43 LEU H A 42 LYS HEy 1.0 1.8 5.08 560 429 A 43 LEU H A 42 LYS HB3 1.0 1.8 3.61 561 430 A 43 LEU H A 42 LYS HB2 1.0 1.8 3.49 562 431 A 43 LEU HB3 A 43 LEU H 1.0 1.8 3.15 563 432 A 43 LEU H A 40 LEU HB3 1.0 1.8 4.88 564 433 A 43 LEU HDy% A 43 LEU H 1.0 1.8 3.82 565 434 A 43 LEU HDx% A 43 LEU H 1.0 1.8 3.78 566 435 A 69 GLU H A 70 THR H 1.0 1.8 3.64 567 436 A 70 THR H A 68 ASN HD22 1.0 1.8 5.47 568 437 A 68 ASN HB2 A 70 THR H 1.0 1.8 3.73 569 438 A 69 GLU HB3 A 70 THR H 1.0 1.8 4.42 570 439 A 70 THR HG2% A 70 THR H 1.0 1.8 3.13 571 440 A 57 GLN H A 58 ILE H 1.0 1.8 2.99 572 441 A 59 ARG HA A 58 ILE H 1.0 1.8 5.37 573 442 A 88 GLN HA A 58 ILE H 1.0 1.8 5.63 574 443 A 54 SER HB2 A 58 ILE H 1.0 1.8 4.77 575 444 A 58 ILE H A 56 ARG HDx 1.0 1.8 5.66 576 444 A 56 ARG HDy A 58 ILE H 1.0 1.8 5.66 577 445 A 55 MET HB3 A 58 ILE H 1.0 1.8 6.00 578 446 A 58 ILE H A 55 MET HGx 1.0 1.8 6.00 579 446 A 55 MET HGy A 58 ILE H 1.0 1.8 6.00 580 447 A 57 GLN HB2 A 58 ILE H 1.0 1.8 3.63 581 448 A 57 GLN HB3 A 58 ILE H 1.0 1.8 4.03 582 449 A 58 ILE HB A 58 ILE H 1.0 1.8 3.97 583 450 A 58 ILE HG12 A 58 ILE H 1.0 1.8 3.07 584 451 A 76 LEU H A 77 GLU HA 1.0 1.8 4.86 585 452 A 76 LEU H A 75 GLN HBx 1.0 1.8 3.52 586 453 A 76 LEU H A 76 LEU HBy 1.0 1.8 3.39 587 454 A 76 LEU H A 76 LEU HG 1.0 1.8 3.76 588 455 A 40 LEU HDx% A 76 LEU H 1.0 1.8 5.55 589 456 A 40 LEU H A 42 LYS H 1.0 1.8 5.12 590 457 A 43 LEU H A 42 LYS H 1.0 1.8 3.49 591 458 A 42 LYS H A 42 LYS HEx 1.0 1.8 4.73 592 458 A 42 LYS HEy A 42 LYS H 1.0 1.8 4.73 593 459 A 42 LYS H A 39 PRO HB2 1.0 1.8 4.39 594 460 A 42 LYS H A 42 LYS HB2 1.0 1.8 3.04 595 461 A 42 LYS H A 40 LEU HB3 1.0 1.8 5.30 596 462 A 43 LEU HDx% A 42 LYS H 1.0 1.8 5.32 597 463 A 84 ILE H A 23 ALA H 1.0 1.8 4.25 598 464 A 21 LYS H A 84 ILE H 1.0 1.8 4.48 599 465 A 62 PHE HD% A 84 ILE H 1.0 1.8 5.45 600 466 A 84 ILE H A 83 THR HA 1.0 1.8 3.47 601 467 A 22 VAL HA A 84 ILE H 1.0 1.8 3.91 602 468 A 84 ILE H A 84 ILE HB 1.0 1.8 3.80 603 469 A 84 ILE H A 84 ILE HG13 1.0 1.8 4.08 604 470 A 84 ILE HD1% A 84 ILE H 1.0 1.8 4.02 605 471 A 43 LEU HDy% A 84 ILE H 1.0 1.8 6.00 606 472 A 22 VAL HGx% A 84 ILE H 1.0 1.8 4.71 607 473 A 57 GLN HA A 57 GLN HE22 1.0 1.8 4.71 608 474 A 54 SER HB3 A 57 GLN HE22 1.0 1.8 5.50 609 475 A 19 ASN H A 19 ASN HD21 1.0 1.8 4.11 610 476 A 19 ASN HA A 19 ASN HD21 1.0 1.8 4.86 611 477 A 18 ILE HA A 19 ASN HD21 1.0 1.8 4.81 612 478 A 81 GLU HA A 19 ASN HD21 1.0 1.8 5.61 613 479 A 19 ASN HB2 A 19 ASN HD21 1.0 1.8 3.49 614 480 A 18 ILE HB A 19 ASN HD21 1.0 1.8 4.87 615 481 A 19 ASN HD21 A 33 LYS HDx 1.0 1.8 5.84 616 481 A 33 LYS HDy A 19 ASN HD21 1.0 1.8 5.84 617 482 A 25 GLN H A 25 GLN HE22 1.0 1.8 5.46 618 483 A 88 GLN H A 25 GLN HE22 1.0 1.8 4.63 619 484 A 25 GLN HA A 25 GLN HE22 1.0 1.8 5.47 620 485 A 25 GLN HE22 A 25 GLN HGx 1.0 1.8 3.31 621 485 A 25 GLN HGy A 25 GLN HE22 1.0 1.8 3.31 622 486 A 31 GLN HA A 31 GLN HE21 1.0 1.8 5.43 623 487 A 54 SER HB2 A 57 GLN HE22 1.0 1.8 4.95 624 488 A 50 ARG H A 51 GLN HE21 1.0 1.8 5.56 625 489 A 51 GLN H A 51 GLN HE22 1.0 1.8 4.68 626 490 A 51 GLN HE22 A 50 ARG HA 1.0 1.8 5.37 627 491 A 51 GLN HB3 A 51 GLN HE22 1.0 1.8 4.80 628 492 A 51 GLN HE22 A 51 GLN HGx 1.0 1.8 3.56 629 492 A 51 GLN HE22 A 51 GLN HGy 1.0 1.8 3.56 630 493 A 51 GLN HE22 A 51 GLN HB2 1.0 1.8 5.21 631 494 A 68 ASN H A 68 ASN HD21 1.0 1.8 4.23 632 495 A 67 ILE HG2% A 68 ASN HD21 1.0 1.8 5.25 633 496 A 75 GLN HE2x A 75 GLN HGx 1.0 1.8 3.53 634 496 A 75 GLN HGy A 75 GLN HE2x 1.0 1.8 3.53 635 497 A 88 GLN HB3 A 88 GLN HE2x 1.0 1.8 4.58 636 498 A 53 LEU HB2 A 88 GLN HE2x 1.0 1.8 6.00 637 499 A 88 GLN HB2 A 88 GLN HE2x 1.0 1.8 4.74 638 500 A 58 ILE HG2% A 88 GLN HE2x 1.0 1.8 4.25 639 501 A 89 GLN HE2x A 89 GLN HGx 1.0 1.8 3.79 640 501 A 89 GLN HGy A 89 GLN HE2x 1.0 1.8 3.79 641 502 A 15 ASN HD2x A 17 HIS HB3 1.0 1.8 4.02 642 503 A 36 ARG H A 36 ARG HE 1.0 1.8 5.56 643 504 A 74 ALA HA A 36 ARG HE 1.0 1.8 5.52 644 505 A 36 ARG HE A 16 ASP HBx 1.0 1.8 5.35 645 505 A 16 ASP HBy A 36 ARG HE 1.0 1.8 5.35 646 506 A 74 ALA HB% A 36 ARG HE 1.0 1.8 4.94 647 507 A 74 ALA H A 72 THR H 1.0 1.8 5.30 648 508 A 75 GLN H A 72 THR H 1.0 1.8 4.79 649 509 A 72 THR H A 73 PRO HDx 1.0 1.8 4.75 650 509 A 72 THR H A 73 PRO HDy 1.0 1.8 4.75 651 510 A 40 LEU HDy% A 72 THR H 1.0 1.8 6.00 652 511 A 35 LYS H A 38 THR H 1.0 1.8 4.36 653 512 A 36 ARG H A 38 THR H 1.0 1.8 4.47 654 513 A 38 THR H A 37 HIS H 1.0 1.8 3.31 655 514 A 38 THR HB A 38 THR H 1.0 1.8 3.17 656 515 A 38 THR H A 37 HIS HBy 1.0 1.8 4.34 657 516 A 38 THR H A 37 HIS HBx 1.0 1.8 4.34 658 517 A 35 LYS HBy A 38 THR H 1.0 1.8 3.80 659 518 A 38 THR HG2% A 38 THR H 1.0 1.8 3.60 660 519 A 47 TYR H A 46 ALA H 1.0 1.8 3.39 661 520 A 45 LYS H A 46 ALA H 1.0 1.8 3.25 662 521 A 32 PHE HE% A 46 ALA H 1.0 1.8 5.50 663 522 A 45 LYS HA A 46 ALA H 1.0 1.8 3.53 664 523 A 43 LEU HA A 46 ALA H 1.0 1.8 3.86 665 524 A 44 MET HA A 46 ALA H 1.0 1.8 4.65 666 525 A 46 ALA H A 45 LYS HBx 1.0 1.8 3.13 667 525 A 45 LYS HBy A 46 ALA H 1.0 1.8 3.13 668 526 A 46 ALA HB% A 46 ALA H 1.0 1.8 2.74 669 527 A 68 ASN H A 71 ASP H 1.0 1.8 4.08 670 528 A 40 LEU H A 71 ASP H 1.0 1.8 4.52 671 529 A 71 ASP H A 70 THR H 1.0 1.8 3.24 672 530 A 71 ASP H A 68 ASN HA 1.0 1.8 5.05 673 531 A 71 ASP HB2 A 71 ASP H 1.0 1.8 3.69 674 532 A 71 ASP HB3 A 71 ASP H 1.0 1.8 3.44 675 533 A 40 LEU HB2 A 71 ASP H 1.0 1.8 4.54 676 534 A 44 MET HE% A 71 ASP H 1.0 1.8 4.23 677 535 A 40 LEU HDx% A 71 ASP H 1.0 1.8 4.63 678 536 A 75 GLN H A 77 GLU H 1.0 1.8 4.31 679 537 A 76 LEU H A 77 GLU H 1.0 1.8 3.48 680 538 A 75 GLN HA A 77 GLU H 1.0 1.8 3.94 681 539 A 77 GLU H A 77 GLU HGx 1.0 1.8 3.00 682 539 A 77 GLU H A 77 GLU HGy 1.0 1.8 3.00 683 540 A 76 LEU HBy A 77 GLU H 1.0 1.8 4.72 684 541 A 76 LEU HG A 77 GLU H 1.0 1.8 4.97 685 542 A 49 GLU H A 52 GLY H 1.0 1.8 4.69 686 543 A 51 GLN HE22 A 52 GLY H 1.0 1.8 5.82 687 544 A 52 GLY H A 52 GLY HAx 1.0 1.8 2.83 688 544 A 52 GLY H A 52 GLY HAy 1.0 1.8 2.83 689 545 A 51 GLN HB3 A 52 GLY H 1.0 1.8 4.44 690 546 A 52 GLY H A 51 GLN HGx 1.0 1.8 4.79 691 546 A 51 GLN HGy A 52 GLY H 1.0 1.8 4.79 692 547 A 51 GLN HB2 A 52 GLY H 1.0 1.8 3.71 693 548 A 47 TYR HD% A 51 GLN H 1.0 1.8 5.04 694 549 A 51 GLN H A 51 GLN HE21 1.0 1.8 4.47 695 550 A 51 GLN H A 50 ARG HA 1.0 1.8 3.55 696 551 A 51 GLN H A 51 GLN HGx 1.0 1.8 3.30 697 551 A 51 GLN H A 51 GLN HGy 1.0 1.8 3.30 698 552 A 51 GLN H A 51 GLN HB2 1.0 1.8 3.41 699 553 A 30 VAL HGy% A 51 GLN H 1.0 1.8 5.08 700 554 A 74 ALA H A 78 MET H 1.0 1.8 5.00 701 555 A 76 LEU H A 78 MET H 1.0 1.8 4.35 702 556 A 73 PRO HA A 78 MET H 1.0 1.8 4.01 703 557 A 74 ALA HA A 78 MET H 1.0 1.8 4.06 704 558 A 77 GLU HA A 78 MET H 1.0 1.8 3.48 705 559 A 78 MET HB2 A 78 MET H 1.0 1.8 3.58 706 560 A 78 MET H A 78 MET HB3 1.0 1.8 3.28 707 561 A 23 ALA H A 86 VAL H 1.0 1.8 4.16 708 562 A 85 ASP H A 86 VAL H 1.0 1.8 5.22 709 563 A 85 ASP HA A 86 VAL H 1.0 1.8 2.86 710 564 A 25 GLN HA A 86 VAL H 1.0 1.8 6.00 711 565 A 24 GLY HA3 A 86 VAL H 1.0 1.8 4.70 712 566 A 86 VAL HB A 86 VAL H 1.0 1.8 3.32 713 567 A 84 ILE HG2% A 86 VAL H 1.0 1.8 4.54 714 568 A 86 VAL HGx% A 86 VAL H 1.0 1.8 3.82 715 569 A 86 VAL HGy% A 86 VAL H 1.0 1.8 3.29 716 570 A 22 VAL HGx% A 86 VAL H 1.0 1.8 4.22 717 571 A 57 GLN H A 54 SER H 1.0 1.8 4.42 718 572 A 57 GLN H A 56 ARG HA 1.0 1.8 3.52 719 573 A 55 MET HB3 A 57 GLN H 1.0 1.8 5.75 720 574 A 57 GLN H A 57 GLN HB2 1.0 1.8 3.06 721 575 A 57 GLN H A 56 ARG HGx 1.0 1.8 4.52 722 575 A 57 GLN H A 56 ARG HGy 1.0 1.8 4.52 723 576 A 58 ILE HG12 A 57 GLN H 1.0 1.8 4.59 724 577 A 58 ILE HG2% A 57 GLN H 1.0 1.8 3.96 725 578 A 35 LYS H A 37 HIS H 1.0 1.8 4.93 726 579 A 36 ARG H A 37 HIS H 1.0 1.8 3.85 727 580 A 37 HIS H A 35 LYS HA 1.0 1.8 4.13 728 581 A 37 HIS H A 73 PRO HDx 1.0 1.8 4.86 729 581 A 73 PRO HDy A 37 HIS H 1.0 1.8 4.86 730 582 A 37 HIS H A 37 HIS HBy 1.0 1.8 3.70 731 583 A 35 LYS HBy A 37 HIS H 1.0 1.8 3.76 732 584 A 37 HIS H A 35 LYS HDx 1.0 1.8 3.64 733 584 A 35 LYS HDy A 37 HIS H 1.0 1.8 3.64 734 585 A 74 ALA HB% A 37 HIS H 1.0 1.8 4.97 735 586 A 65 GLN H A 63 ASP H 1.0 1.8 4.86 736 587 A 65 GLN H A 62 PHE H 1.0 1.8 4.05 737 588 A 64 GLY H A 65 GLN H 1.0 1.8 3.39 738 589 A 65 GLN H A 65 GLN HE22 1.0 1.8 6.00 739 590 A 63 ASP HB2 A 65 GLN H 1.0 1.8 4.00 740 591 A 65 GLN H A 65 GLN HBy 1.0 1.8 3.81 741 592 A 65 GLN H A 65 GLN HBx 1.0 1.8 3.81 742 593 A 25 GLN H A 27 GLY H 1.0 1.8 4.53 743 594 A 24 GLY H A 27 GLY H 1.0 1.8 4.32 744 595 A 27 GLY H A 26 ASP H 1.0 1.8 3.24 745 596 A 26 ASP HA A 27 GLY H 1.0 1.8 3.45 746 597 A 27 GLY H A 26 ASP HBy 1.0 1.8 4.23 747 598 A 27 GLY H A 26 ASP HBx 1.0 1.8 4.18 748 599 A 25 GLN HB2 A 27 GLY H 1.0 1.8 5.44 749 600 A 23 ALA HB% A 27 GLY H 1.0 1.8 5.48 750 601 A 67 ILE H A 61 ARG H 1.0 1.8 5.21 751 602 A 68 ASN H A 67 ILE H 1.0 1.8 4.54 752 603 A 67 ILE H A 62 PHE H 1.0 1.8 4.10 753 604 A 60 PHE HD% A 67 ILE H 1.0 1.8 5.82 754 605 A 67 ILE H A 61 ARG HA 1.0 1.8 3.79 755 606 A 67 ILE H A 66 PRO HA 1.0 1.8 3.19 756 607 A 60 PHE HB2 A 67 ILE H 1.0 1.8 4.34 757 608 A 67 ILE H A 66 PRO HB2 1.0 1.8 3.70 758 609 A 67 ILE H A 66 PRO HB3 1.0 1.8 4.01 759 610 A 67 ILE HG12 A 67 ILE H 1.0 1.8 3.42 760 611 A 67 ILE HD1% A 67 ILE H 1.0 1.8 3.72 761 612 A 76 LEU H A 75 GLN H 1.0 1.8 3.28 762 613 A 75 GLN H A 72 THR HB 1.0 1.8 4.17 763 614 A 46 ALA HA A 50 ARG H 1.0 1.8 4.45 764 615 A 10 VAL H A 9 GLY HAx 1.0 1.8 2.59 765 615 A 9 GLY HAy A 10 VAL H 1.0 1.8 2.59 766 616 A 75 GLN H A 75 GLN HBy 1.0 1.8 3.50 767 617 A 10 VAL H A 10 VAL HGx% 1.0 1.8 2.70 768 617 A 10 VAL HGy% A 10 VAL H 1.0 1.8 2.70 769 618 A 49 GLU H A 50 ARG H 1.0 1.8 3.32 770 619 A 50 ARG H A 50 ARG HD2 1.0 1.8 4.65 771 620 A 50 ARG H A 50 ARG HD3 1.0 1.8 5.12 772 621 A 2 ALA HB% A 2 ALA H 1.0 1.8 2.82 773 622 A 68 ASN H A 68 ASN HD22 1.0 1.8 3.93 774 623 A 28 SER H A 28 SER HB3 1.0 1.8 3.57 775 624 A 26 ASP HBy A 28 SER H 1.0 1.8 4.62 776 625 A 71 ASP HB3 A 68 ASN HD22 1.0 1.8 4.63 777 626 A 70 THR HG2% A 68 ASN HD22 1.0 1.8 5.33 778 627 A 82 ASP H A 81 GLU H 1.0 1.8 3.37 779 628 A 82 ASP H A 20 LEU HA 1.0 1.8 4.21 780 629 A 80 ASP HA A 82 ASP H 1.0 1.8 3.78 781 630 A 82 ASP H A 82 ASP HBy 1.0 1.8 3.30 782 631 A 82 ASP H A 82 ASP HBx 1.0 1.8 3.30 783 632 A 51 GLN H A 50 ARG H 1.0 1.8 3.16 784 633 A 50 ARG H A 51 GLN HE22 1.0 1.8 5.92 785 634 A 56 ARG H A 55 MET H 1.0 1.8 3.73 786 635 A 56 ARG H A 54 SER H 1.0 1.8 5.27 787 636 A 56 ARG H A 57 GLN H 1.0 1.8 3.37 788 637 A 56 ARG H A 57 GLN HB2 1.0 1.8 4.44 789 638 A 56 ARG H A 56 ARG HGx 1.0 1.8 3.05 790 638 A 56 ARG H A 56 ARG HGy 1.0 1.8 3.05 791 639 A 58 ILE HG12 A 56 ARG H 1.0 1.8 4.90 792 640 A 58 ILE HG2% A 56 ARG H 1.0 1.8 5.12 793 641 A 53 LEU H A 52 GLY H 1.0 1.8 3.14 794 642 A 53 LEU H A 52 GLY HAx 1.0 1.8 3.18 795 642 A 53 LEU H A 52 GLY HAy 1.0 1.8 3.18 796 643 A 53 LEU H A 53 LEU HB2 1.0 1.8 3.09 797 644 A 53 LEU H A 53 LEU HDx% 1.0 1.8 4.51 798 645 A 36 ARG H A 18 ILE H 1.0 1.8 4.70 799 646 A 36 ARG H A 16 ASP HBx 1.0 1.8 4.66 800 646 A 36 ARG H A 16 ASP HBy 1.0 1.8 4.66 801 647 A 73 PRO HG3 A 36 ARG H 1.0 1.8 5.21 802 648 A 35 LYS HBy A 36 ARG H 1.0 1.8 3.88 803 649 A 36 ARG H A 35 LYS HDx 1.0 1.8 3.42 804 649 A 36 ARG H A 35 LYS HDy 1.0 1.8 3.42 805 650 A 36 ARG H A 36 ARG HB2 1.0 1.8 3.97 806 651 A 36 ARG H A 35 LYS HGx 1.0 1.8 4.25 807 652 A 18 ILE HD1% A 36 ARG H 1.0 1.8 5.30 808 653 A 35 LYS HGy A 17 HIS H 1.0 1.8 4.47 809 654 A 18 ILE HG2% A 17 HIS H 1.0 1.8 4.56 810 655 A 2 ALA HB% A 4 GLU H 1.0 1.8 4.52 811 656 A 40 LEU H A 44 MET H 1.0 1.8 6.00 812 657 A 45 LYS H A 45 LYS HBx 1.0 1.8 2.91 813 657 A 45 LYS H A 45 LYS HBy 1.0 1.8 2.91 814 658 A 40 LEU HB3 A 44 MET H 1.0 1.8 4.96 815 659 A 44 MET H A 43 LEU HG 1.0 1.8 4.01 816 660 A 45 LYS H A 47 TYR H 1.0 1.8 4.58 817 661 A 49 GLU H A 47 TYR H 1.0 1.8 4.81 818 662 A 51 GLN H A 49 GLU H 1.0 1.8 3.95 819 663 A 49 GLU H A 49 GLU HG3 1.0 1.8 3.40 820 664 A 25 GLN H A 26 ASP H 1.0 1.8 3.61 821 665 A 74 ALA H A 76 LEU H 1.0 1.8 4.47 822 666 A 88 GLN HE2x A 26 ASP H 1.0 1.8 6.00 823 667 A 12 THR H A 12 THR HB 1.0 1.8 3.63 824 668 A 24 GLY HA3 A 26 ASP H 1.0 1.8 3.45 825 669 A 26 ASP H A 26 ASP HBx 1.0 1.8 3.36 826 670 A 26 ASP H A 25 GLN HGx 1.0 1.8 3.82 827 670 A 25 GLN HGy A 26 ASP H 1.0 1.8 3.82 828 671 A 74 ALA H A 74 ALA HB% 1.0 1.8 3.02 829 672 A 46 ALA HA A 49 GLU H 1.0 1.8 3.75 830 673 A 74 ALA H A 77 GLU H 1.0 1.8 5.08 831 674 A 35 LYS H A 34 ILE H 1.0 1.8 5.06 832 675 A 6 PRO HD2 A 5 LYS H 1.0 1.8 4.33 833 676 A 35 LYS H A 17 HIS HB2 1.0 1.8 4.20 834 677 A 5 LYS H A 6 PRO HGx 1.0 1.8 5.20 835 677 A 6 PRO HGy A 5 LYS H 1.0 1.8 5.20 836 678 A 35 LYS H A 35 LYS HBx 1.0 1.8 2.82 837 679 A 88 GLN HGy A 89 GLN H 1.0 1.8 4.09 838 680 A 15 ASN H A 16 ASP H 1.0 1.8 5.12 839 681 A 16 ASP H A 16 ASP HBx 1.0 1.8 3.33 840 681 A 16 ASP HBy A 16 ASP H 1.0 1.8 3.33 841 682 A 40 LEU H A 41 SER H 1.0 1.8 3.71 842 683 A 90 GLN H A 91 THR H 1.0 1.8 5.08 843 684 A 42 LYS H A 41 SER H 1.0 1.8 3.75 844 685 A 70 THR H A 41 SER H 1.0 1.8 5.80 845 686 A 43 LEU H A 41 SER H 1.0 1.8 4.85 846 687 A 39 PRO HA A 41 SER H 1.0 1.8 4.14 847 688 A 41 SER HA A 41 SER H 1.0 1.8 2.92 848 689 A 41 SER H A 42 LYS HEx 1.0 1.8 6.00 849 689 A 42 LYS HEy A 41 SER H 1.0 1.8 6.00 850 690 A 39 PRO HB2 A 41 SER H 1.0 1.8 3.55 851 691 A 40 LEU HB2 A 41 SER H 1.0 1.8 3.79 852 692 A 44 MET HE% A 41 SER H 1.0 1.8 4.70 853 693 A 43 LEU HDx% A 41 SER H 1.0 1.8 5.59 854 694 A 46 ALA H A 48 CYS H 1.0 1.8 4.67 855 695 A 60 PHE HE% A 48 CYS H 1.0 1.8 4.76 856 696 A 48 CYS H A 48 CYS HBx 1.0 1.8 3.70 857 697 A 58 ILE HD1% A 48 CYS H 1.0 1.8 4.93 858 698 A 84 ILE H A 83 THR H 1.0 1.8 4.55 859 699 A 83 THR H A 82 ASP HA 1.0 1.8 3.03 860 700 A 83 THR H A 83 THR HB 1.0 1.8 3.58 861 701 A 83 THR H A 82 ASP HBx 1.0 1.8 4.01 862 702 A 81 GLU H A 80 ASP H 1.0 1.8 4.80 863 703 A 79 GLU HA A 80 ASP H 1.0 1.8 3.12 864 704 A 80 ASP H A 80 ASP HBx 1.0 1.8 2.88 865 704 A 80 ASP HBy A 80 ASP H 1.0 1.8 2.88 866 705 A 18 ILE HD1% A 80 ASP H 1.0 1.8 4.43 867 706 A 9 GLY H A 10 VAL H 1.0 1.8 4.01 868 707 A 9 GLY H A 9 GLY HAx 1.0 1.8 2.82 869 707 A 9 GLY HAy A 9 GLY H 1.0 1.8 2.82 870 708 A 60 PHE HD% A 59 ARG H 1.0 1.8 4.65 871 709 A 60 PHE HA A 59 ARG H 1.0 1.8 5.30 872 710 A 59 ARG H A 58 ILE HA 1.0 1.8 3.16 873 711 A 59 ARG H A 87 PHE HB2 1.0 1.8 4.82 874 712 A 59 ARG H A 58 ILE HG2% 1.0 1.8 3.84 875 713 A 12 THR H A 13 GLU H 1.0 1.8 4.67 876 714 A 32 PHE HB2 A 33 LYS H 1.0 1.8 3.96 877 715 A 13 GLU H A 13 GLU HBx 1.0 1.8 3.24 878 715 A 13 GLU HBy A 13 GLU H 1.0 1.8 3.24 879 716 A 13 GLU H A 12 THR HG2% 1.0 1.8 4.24 880 717 A 34 ILE HG2% A 33 LYS H 1.0 1.8 4.29 881 718 A 8 GLU H A 8 GLU HBx 1.0 1.8 2.96 882 718 A 8 GLU HBy A 8 GLU H 1.0 1.8 2.96 883 719 A 31 GLN H A 32 PHE H 1.0 1.8 4.56 884 720 A 30 VAL HA A 31 GLN H 1.0 1.8 2.89 885 721 A 11 LYS H A 11 LYS HEx 1.0 1.8 5.59 886 721 A 11 LYS H A 11 LYS HEy 1.0 1.8 5.59 887 722 A 31 GLN H A 31 GLN HB2 1.0 1.8 3.20 888 723 A 31 GLN H A 31 GLN HB3 1.0 1.8 3.40 889 724 A 21 LYS HG3 A 31 GLN H 1.0 1.8 4.82 890 725 A 6 PRO HD2 A 8 GLU H 1.0 1.8 6.00 891 726 A 54 SER H A 55 MET H 1.0 1.8 4.58 892 727 A 58 ILE H A 54 SER H 1.0 1.8 5.55 893 728 A 53 LEU HA A 54 SER H 1.0 1.8 3.02 894 729 A 55 MET HA A 54 SER H 1.0 1.8 5.45 895 730 A 54 SER HB3 A 54 SER H 1.0 1.8 3.59 896 731 A 54 SER HB2 A 54 SER H 1.0 1.8 3.31 897 732 A 57 GLN HB2 A 54 SER H 1.0 1.8 3.93 898 733 A 57 GLN HB3 A 54 SER H 1.0 1.8 4.70 899 734 A 53 LEU HB2 A 54 SER H 1.0 1.8 4.26 900 735 A 10 VAL HA A 11 LYS H 1.0 1.8 2.54 901 736 A 11 LYS H A 10 VAL HGx% 1.0 1.8 3.30 902 736 A 10 VAL HGy% A 11 LYS H 1.0 1.8 3.30 903 737 A 14 ASN H A 13 GLU HGx 1.0 1.8 4.46 904 737 A 13 GLU HGy A 14 ASN H 1.0 1.8 4.46 905 738 A 28 SER H A 29 VAL H 1.0 1.8 4.66 906 739 A 23 ALA HA A 29 VAL H 1.0 1.8 4.95 907 740 A 28 SER HA A 29 VAL H 1.0 1.8 2.82 908 741 A 28 SER HB3 A 29 VAL H 1.0 1.8 3.72 909 742 A 23 ALA HB% A 29 VAL H 1.0 1.8 5.60 910 743 A 30 VAL H A 23 ALA HA 1.0 1.8 3.97 911 744 A 30 VAL H A 30 VAL HB 1.0 1.8 3.52 912 745 A 30 VAL H A 23 ALA HB% 1.0 1.8 4.67 913 746 A 22 VAL HGx% A 30 VAL H 1.0 1.8 4.56 914 747 A 25 GLN H A 24 GLY H 1.0 1.8 4.58 915 748 A 24 GLY H A 28 SER HA 1.0 1.8 5.06 916 749 A 86 VAL HGx% A 24 GLY H 1.0 1.8 4.88 917 750 A 86 VAL HGy% A 24 GLY H 1.0 1.8 4.73 918 751 A 20 LEU H A 21 LYS H 1.0 1.8 4.65 919 752 A 21 LYS H A 83 THR H 1.0 1.8 4.92 920 753 A 21 LYS H A 20 LEU HA 1.0 1.8 3.27 921 754 A 21 LYS H A 81 GLU HA 1.0 1.8 4.85 922 755 A 15 ASN H A 14 ASN HBy 1.0 1.8 4.65 923 756 A 21 LYS H A 21 LYS HB3 1.0 1.8 3.55 924 757 A 20 LEU HB2 A 21 LYS H 1.0 1.8 4.31 925 758 A 20 LEU HB3 A 21 LYS H 1.0 1.8 3.47 926 759 A 21 LYS H A 20 LEU HDy% 1.0 1.8 5.02 927 760 A 21 LYS H A 20 LEU HDx% 1.0 1.8 5.02 928 761 A 43 LEU HDy% A 21 LYS H 1.0 1.8 4.97 929 762 A 88 GLN H A 87 PHE HD% 1.0 1.8 5.01 930 763 A 88 GLN H A 87 PHE HA 1.0 1.8 2.80 931 764 A 88 GLN H A 87 PHE HB2 1.0 1.8 3.97 932 765 A 88 GLN HB2 A 88 GLN H 1.0 1.8 3.19 933 766 A 58 ILE HG2% A 88 GLN H 1.0 1.8 5.39 934 767 A 87 PHE H A 59 ARG H 1.0 1.8 3.72 935 768 A 60 PHE HA A 87 PHE H 1.0 1.8 4.08 936 769 A 87 PHE H A 87 PHE HB3 1.0 1.8 3.94 937 770 A 87 PHE H A 25 GLN HGx 1.0 1.8 4.65 938 770 A 25 GLN HGy A 87 PHE H 1.0 1.8 4.65 939 771 A 89 GLN HA A 90 GLN H 1.0 1.8 2.93 940 772 A 90 GLN H A 90 GLN HGx 1.0 1.8 3.68 941 772 A 90 GLN HGy A 90 GLN H 1.0 1.8 3.68 942 773 A 90 GLN H A 90 GLN HBx 1.0 1.8 3.23 943 773 A 90 GLN HBy A 90 GLN H 1.0 1.8 3.23 944 774 A 47 TYR H A 48 CYS H 1.0 1.8 3.54 945 775 A 47 TYR H A 48 CYS HA 1.0 1.8 5.61 946 776 A 43 LEU HA A 47 TYR H 1.0 1.8 4.37 947 777 A 47 TYR HB2 A 47 TYR H 1.0 1.8 3.47 948 778 A 47 TYR HB3 A 47 TYR H 1.0 1.8 3.55 949 779 A 47 TYR H A 45 LYS HBx 1.0 1.8 5.10 950 779 A 45 LYS HBy A 47 TYR H 1.0 1.8 5.10 951 780 A 46 ALA HB% A 47 TYR H 1.0 1.8 3.26 952 781 A 30 VAL HGy% A 47 TYR H 1.0 1.8 6.00 953 782 A 43 LEU HDx% A 47 TYR H 1.0 1.8 4.42 954 783 A 19 ASN H A 81 GLU H 1.0 1.8 4.21 955 784 A 34 ILE H A 33 LYS H 1.0 1.8 4.23 956 785 A 34 ILE H A 33 LYS HA 1.0 1.8 3.21 957 786 A 19 ASN H A 18 ILE HA 1.0 1.8 3.19 958 787 A 19 ASN H A 19 ASN HB2 1.0 1.8 3.39 959 788 A 20 LEU H A 32 PHE HB2 1.0 1.8 4.71 960 789 A 19 ASN H A 19 ASN HB3 1.0 1.8 3.66 961 790 A 34 ILE H A 34 ILE HB 1.0 1.8 4.01 962 791 A 19 ASN H A 18 ILE HB 1.0 1.8 3.38 963 792 A 20 LEU H A 20 LEU HB2 1.0 1.8 3.55 964 793 A 20 LEU H A 20 LEU HB3 1.0 1.8 3.85 965 794 A 34 ILE HG2% A 34 ILE H 1.0 1.8 3.22 966 795 A 43 LEU HDx% A 40 LEU H 1.0 1.8 5.87 967 796 A 62 PHE HD% A 62 PHE H 1.0 1.8 4.48 968 797 A 62 PHE H A 61 ARG HA 1.0 1.8 3.39 969 798 A 62 PHE H A 62 PHE HB3 1.0 1.8 3.93 970 799 A 25 GLN H A 25 GLN HGx 1.0 1.8 3.40 971 799 A 25 GLN HGy A 25 GLN H 1.0 1.8 3.40 972 800 A 25 GLN H A 25 GLN HB3 1.0 1.8 3.45 973 801 A 62 PHE H A 61 ARG HB3 1.0 1.8 4.24 974 802 A 62 PHE H A 61 ARG HB2 1.0 1.8 4.08 975 803 A 67 ILE HG2% A 62 PHE H 1.0 1.8 3.84 976 804 A 67 ILE HG12 A 62 PHE H 1.0 1.8 4.35 977 805 A 67 ILE HD1% A 62 PHE H 1.0 1.8 4.05 978 806 A 86 VAL HGy% A 25 GLN H 1.0 1.8 5.61 979 807 A 85 ASP H A 61 ARG H 1.0 1.8 4.02 980 808 A 85 ASP H A 23 ALA H 1.0 1.8 5.33 981 809 A 57 GLN H A 55 MET H 1.0 1.8 4.24 982 810 A 85 ASP H A 62 PHE HA 1.0 1.8 4.13 983 811 A 84 ILE HA A 85 ASP H 1.0 1.8 3.30 984 812 A 54 SER HB2 A 55 MET H 1.0 1.8 4.53 985 813 A 55 MET H A 55 MET HGx 1.0 1.8 3.52 986 813 A 55 MET HGy A 55 MET H 1.0 1.8 3.52 987 814 A 55 MET HB2 A 55 MET H 1.0 1.8 3.24 988 815 A 22 VAL HGx% A 85 ASP H 1.0 1.8 5.23 989 816 A 20 LEU H A 19 ASN HA 1.0 1.8 3.12 990 817 A 20 LEU H A 19 ASN HB2 1.0 1.8 4.08 991 818 A 40 LEU H A 39 PRO HB2 1.0 1.8 4.16 992 819 A 40 LEU H A 72 THR HG2% 1.0 1.8 4.44 993 820 A 40 LEU H A 40 LEU HDy% 1.0 1.8 3.59 994 821 A 60 PHE H A 61 ARG H 1.0 1.8 4.85 995 822 A 87 PHE H A 60 PHE H 1.0 1.8 5.17 996 823 A 59 ARG H A 60 PHE H 1.0 1.8 4.51 997 824 A 71 ASP H A 69 GLU H 1.0 1.8 4.68 998 825 A 60 PHE HD% A 60 PHE H 1.0 1.8 3.40 999 826 A 60 PHE HE% A 60 PHE H 1.0 1.8 4.90 1000 827 A 69 GLU H A 68 ASN HA 1.0 1.8 3.23 1001 828 A 60 PHE H A 59 ARG HA 1.0 1.8 3.18 1002 829 A 68 ASN HB2 A 69 GLU H 1.0 1.8 3.53 1003 830 A 69 GLU HB3 A 69 GLU H 1.0 1.8 3.43 1004 831 A 60 PHE H A 59 ARG HBy 1.0 1.8 4.84 1005 832 A 44 MET HE% A 69 GLU H 1.0 1.8 3.44 1006 833 A 31 GLN HA A 32 PHE H 1.0 1.8 3.08 1007 834 A 21 LYS HA A 32 PHE H 1.0 1.8 3.98 1008 835 A 32 PHE HB3 A 32 PHE H 1.0 1.8 3.98 1009 836 A 32 PHE H A 32 PHE HB2 1.0 1.8 3.76 1010 837 A 32 PHE H A 31 GLN HB3 1.0 1.8 3.90 1011 838 A 32 PHE H A 21 LYS HDx 1.0 1.8 5.07 1012 838 A 21 LYS HDy A 32 PHE H 1.0 1.8 5.07 1013 839 A 22 VAL HGy% A 32 PHE H 1.0 1.8 5.08 1014 840 A 30 VAL HGx% A 32 PHE H 1.0 1.8 5.52 1015 841 A 43 LEU HDy% A 32 PHE H 1.0 1.8 4.68 1016 842 A 18 ILE H A 35 LYS HA 1.0 1.8 4.06 1017 843 A 18 ILE H A 17 HIS HB2 1.0 1.8 3.95 1018 844 A 18 ILE HB A 18 ILE H 1.0 1.8 4.02 1019 845 A 18 ILE H A 18 ILE HG13 1.0 1.8 3.98 1020 846 A 18 ILE HG2% A 18 ILE H 1.0 1.8 3.54 1021 847 A 18 ILE HD1% A 18 ILE H 1.0 1.8 4.35 1022 848 A 22 VAL H A 30 VAL H 1.0 1.8 3.68 1023 849 A 22 VAL H A 32 PHE HD% 1.0 1.8 5.17 1024 850 A 47 TYR HE% A 22 VAL H 1.0 1.8 5.33 1025 851 A 22 VAL H A 31 GLN HA 1.0 1.8 3.78 1026 852 A 22 VAL H A 21 LYS HA 1.0 1.8 3.24 1027 853 A 22 VAL H A 30 VAL HA 1.0 1.8 5.05 1028 854 A 22 VAL H A 21 LYS HE2 1.0 1.8 6.00 1029 855 A 22 VAL H A 21 LYS HE3 1.0 1.8 6.00 1030 856 A 22 VAL HB A 22 VAL H 1.0 1.8 3.60 1031 857 A 22 VAL H A 21 LYS HDx 1.0 1.8 3.97 1032 857 A 22 VAL H A 21 LYS HDy 1.0 1.8 3.97 1033 858 A 22 VAL H A 21 LYS HG3 1.0 1.8 4.02 1034 859 A 22 VAL HGx% A 22 VAL H 1.0 1.8 4.06 1035 860 A 68 ASN H A 67 ILE HA 1.0 1.8 2.99 1036 861 A 68 ASN H A 69 GLU HA 1.0 1.8 5.38 1037 862 A 68 ASN H A 68 ASN HB2 1.0 1.8 3.56 1038 863 A 71 ASP HB3 A 68 ASN H 1.0 1.8 4.19 1039 864 A 68 ASN H A 67 ILE HB 1.0 1.8 3.63 1040 865 A 44 MET HE% A 68 ASN H 1.0 1.8 4.01 1041 866 A 68 ASN H A 67 ILE HG2% 1.0 1.8 3.67 1042 867 A 24 GLY H A 23 ALA H 1.0 1.8 4.41 1043 868 A 47 TYR HD% A 23 ALA H 1.0 1.8 5.75 1044 869 A 22 VAL HA A 23 ALA H 1.0 1.8 3.30 1045 870 A 24 GLY HA2 A 23 ALA H 1.0 1.8 5.42 1046 871 A 84 ILE HA A 23 ALA H 1.0 1.8 5.90 1047 872 A 84 ILE HB A 23 ALA H 1.0 1.8 4.33 1048 873 A 22 VAL HGy% A 23 ALA H 1.0 1.8 4.16 1049 874 A 86 VAL HGy% A 23 ALA H 1.0 1.8 4.55 1050 875 A 22 VAL HGx% A 23 ALA H 1.0 1.8 3.68 1051 876 A 79 GLU H A 82 ASP H 1.0 1.8 5.43 1052 877 A 79 GLU H A 78 MET H 1.0 1.8 4.73 1053 878 A 79 GLU H A 78 MET HA 1.0 1.8 3.31 1054 879 A 79 GLU H A 82 ASP HBy 1.0 1.8 4.55 1055 880 A 79 GLU H A 82 ASP HBx 1.0 1.8 4.55 1056 881 A 79 GLU H A 78 MET HG3 1.0 1.8 3.98 1057 882 A 79 GLU H A 78 MET HB2 1.0 1.8 4.63 1058 883 A 79 GLU H A 78 MET HB3 1.0 1.8 4.15 1059 884 A 79 GLU H A 78 MET HG2 1.0 1.8 4.36 1060 885 A 62 PHE H A 63 ASP H 1.0 1.8 4.42 1061 886 A 62 PHE HD% A 63 ASP H 1.0 1.8 3.61 1062 887 A 62 PHE HA A 63 ASP H 1.0 1.8 3.29 1063 888 A 63 ASP H A 64 GLY HA2 1.0 1.8 5.02 1064 889 A 62 PHE HB2 A 63 ASP H 1.0 1.8 4.34 1065 890 A 63 ASP H A 62 PHE HB3 1.0 1.8 4.32 1066 891 A 63 ASP HB2 A 63 ASP H 1.0 1.8 3.92 1067 892 A 67 ILE HD1% A 63 ASP H 1.0 1.8 6.00 1068 893 A 81 GLU H A 19 ASN HA 1.0 1.8 5.50 1069 894 A 81 GLU H A 20 LEU HA 1.0 1.8 4.89 1070 895 A 81 GLU H A 82 ASP HA 1.0 1.8 5.40 1071 896 A 80 ASP HA A 81 GLU H 1.0 1.8 3.53 1072 897 A 81 GLU H A 80 ASP HBx 1.0 1.8 3.66 1073 897 A 80 ASP HBy A 81 GLU H 1.0 1.8 3.66 1074 898 A 81 GLU HG2 A 81 GLU H 1.0 1.8 4.02 1075 899 A 81 GLU HG3 A 81 GLU H 1.0 1.8 4.16 1076 900 A 18 ILE HD1% A 81 GLU H 1.0 1.8 4.83 1077 901 A 87 PHE H A 61 ARG H 1.0 1.8 5.01 1078 902 A 60 PHE HA A 61 ARG H 1.0 1.8 3.19 1079 903 A 86 VAL HA A 61 ARG H 1.0 1.8 4.05 1080 904 A 60 PHE HB2 A 61 ARG H 1.0 1.8 4.46 1081 905 A 61 ARG H A 61 ARG HB3 1.0 1.8 3.91 1082 906 A 84 ILE HG2% A 61 ARG H 1.0 1.8 3.78 1083 907 A 67 ILE HD1% A 61 ARG H 1.0 1.8 4.11 1084 908 A 86 VAL HGy% A 61 ARG H 1.0 1.8 4.74 1085 909 A 22 VAL HGx% A 61 ARG H 1.0 1.8 5.54 1086 910 A 57 GLN H A 57 GLN HE21 1.0 1.8 3.98 1087 911 A 57 GLN HA A 57 GLN HE21 1.0 1.8 4.37 1088 912 A 54 SER HB3 A 57 GLN HE21 1.0 1.8 5.31 1089 913 A 54 SER HB2 A 57 GLN HE21 1.0 1.8 4.80 1090 914 A 57 GLN HE21 A 56 ARG HGx 1.0 1.8 5.09 1091 914 A 56 ARG HGy A 57 GLN HE21 1.0 1.8 5.09 1092 915 A 76 LEU HBy A 65 GLN HE21 1.0 1.8 5.37 1093 916 A 81 GLU H A 19 ASN HD22 1.0 1.8 5.22 1094 917 A 19 ASN H A 19 ASN HD22 1.0 1.8 3.92 1095 918 A 19 ASN HA A 19 ASN HD22 1.0 1.8 5.02 1096 919 A 25 GLN H A 25 GLN HE21 1.0 1.8 4.75 1097 920 A 88 GLN H A 25 GLN HE21 1.0 1.8 4.56 1098 921 A 59 ARG H A 25 GLN HE21 1.0 1.8 6.00 1099 922 A 26 ASP H A 25 GLN HE21 1.0 1.8 5.12 1100 923 A 25 GLN HA A 25 GLN HE21 1.0 1.8 4.79 1101 924 A 25 GLN HE21 A 25 GLN HGx 1.0 1.8 2.97 1102 924 A 25 GLN HGy A 25 GLN HE21 1.0 1.8 2.97 1103 925 A 58 ILE HG2% A 25 GLN HE21 1.0 1.8 5.58 1104 926 A 86 VAL HGx% A 25 GLN HE21 1.0 1.8 5.21 1105 927 A 86 VAL HGy% A 25 GLN HE21 1.0 1.8 5.88 1106 928 A 31 GLN HE22 A 32 PHE H 1.0 1.8 4.88 1107 929 A 87 PHE H A 89 GLN HE2y 1.0 1.8 6.00 1108 930 A 90 GLN H A 89 GLN HE2y 1.0 1.8 6.00 1109 931 A 59 ARG H A 89 GLN HE2y 1.0 1.8 6.00 1110 932 A 31 GLN HA A 31 GLN HE22 1.0 1.8 5.56 1111 933 A 89 GLN HA A 89 GLN HE2y 1.0 1.8 4.98 1112 934 A 31 GLN HE22 A 19 ASN HB3 1.0 1.8 4.80 1113 935 A 89 GLN HE2y A 89 GLN HGx 1.0 1.8 3.35 1114 935 A 89 GLN HGy A 89 GLN HE2y 1.0 1.8 3.35 1115 936 A 89 GLN HE2y A 89 GLN HBy 1.0 1.8 4.95 1116 937 A 31 GLN HE22 A 31 GLN HB3 1.0 1.8 4.25 1117 938 A 65 GLN H A 65 GLN HE21 1.0 1.8 4.65 1118 939 A 65 GLN HE21 A 65 GLN HG3 1.0 1.8 3.10 1119 940 A 58 ILE HB A 88 GLN HE2y 1.0 1.8 5.35 1120 941 A 72 THR HG2% A 75 GLN HE2y 1.0 1.8 4.45 1121 942 A 87 PHE H A 88 GLN HE2y 1.0 1.8 5.68 1122 943 A 88 GLN H A 88 GLN HE2y 1.0 1.8 5.92 1123 944 A 88 GLN HA A 88 GLN HE2y 1.0 1.8 5.22 1124 945 A 88 GLN HB2 A 88 GLN HE2y 1.0 1.8 4.43 1125 946 A 53 LEU HB3 A 88 GLN HE2y 1.0 1.8 5.84 1126 947 A 86 VAL HB A 88 GLN HE2y 1.0 1.8 6.00 1127 948 A 88 GLN HE2y A 53 LEU HDy% 1.0 1.8 4.38 1128 949 A 58 ILE HG2% A 88 GLN HE2y 1.0 1.8 4.20 1129 950 A 86 VAL HGx% A 88 GLN HE2y 1.0 1.8 4.96 1130 951 A 86 VAL HGy% A 88 GLN HE2y 1.0 1.8 5.58 1131 952 A 17 HIS HB3 A 15 ASN HD2y 1.0 1.8 4.02 1132 953 A 69 GLU HA A 41 SER H 1.0 1.8 4.10 1133 954 A 84 ILE HA A 63 ASP H 1.0 1.8 5.64 1134 955 A 64 GLY H A 63 ASP H 1.0 1.8 3.51 1135 956 A 81 GLU HG3 A 19 ASN HD21 1.0 1.8 4.27 1136 957 A 56 ARG HB2 A 57 GLN HE22 1.0 1.8 4.58 1137 958 A 81 GLU H A 19 ASN HD21 1.0 1.8 5.35 1138 959 A 27 GLY H A 25 GLN HB3 1.0 1.8 5.82 1139 960 A 27 GLY HA3 A 28 SER H 1.0 1.8 3.52 1140 961 A 37 HIS H A 16 ASP HBx 1.0 1.8 5.97 1141 961 A 16 ASP HBy A 37 HIS H 1.0 1.8 5.97 1142 962 A 72 THR HA A 38 THR H 1.0 1.8 5.97 1143 963 A 22 VAL HGy% A 47 TYR H 1.0 1.8 4.88 1144 964 A 49 GLU HG3 A 47 TYR H 1.0 1.8 6.00 1145 965 A 43 LEU HDx% A 48 CYS H 1.0 1.8 5.89 1146 966 A 86 VAL HGy% A 60 PHE H 1.0 1.8 4.97 1147 967 A 59 ARG H A 87 PHE HB3 1.0 1.8 5.62 1148 968 A 59 ARG H A 58 ILE HG12 1.0 1.8 4.59 1149 969 A 70 THR HG2% A 72 THR H 1.0 1.8 5.72 1150 970 A 22 VAL HGx% A 87 PHE H 1.0 1.8 6.00 1151 971 A 58 ILE HG12 A 88 GLN HE2x 1.0 1.8 5.32 1152 972 A 89 GLN HE2x A 59 ARG HGx 1.0 1.8 5.23 1153 973 A 64 GLY H A 61 ARG HG3 1.0 1.8 4.30 1154 974 A 73 PRO HG3 A 37 HIS H 1.0 1.8 5.35 1155 975 A 87 PHE H A 25 GLN H 1.0 1.8 5.30 1156 976 A 73 PRO HG3 A 18 ILE H 1.0 1.8 5.80 1157 977 A 24 GLY HA3 A 23 ALA H 1.0 1.8 6.00 1158 978 A 23 ALA H A 83 THR HB 1.0 1.8 5.89 1159 979 A 79 GLU H A 79 GLU HGy 1.0 1.8 4.28 1160 980 A 21 LYS H A 81 GLU H 1.0 1.8 5.56 1161 981 A 65 GLN HG2 A 63 ASP H 1.0 1.8 5.97 1162 982 A 84 ILE HG2% A 63 ASP H 1.0 1.8 5.97 1163 983 A 58 ILE HG2% A 57 GLN HE22 1.0 1.8 6.00 1164 984 A 40 LEU HB2 A 70 THR H 1.0 1.8 6.00 1165 985 A 67 ILE HB A 70 THR H 1.0 1.8 6.00 1166 986 A 57 GLN HE22 A 55 MET H 1.0 1.8 5.97 1167 987 A 18 ILE HG2% A 19 ASN HD22 1.0 1.8 5.25 1168 988 A 19 ASN HD22 A 33 LYS HDx 1.0 1.8 5.07 1169 988 A 33 LYS HDy A 19 ASN HD22 1.0 1.8 5.07 1170 989 A 20 LEU H A 32 PHE HB3 1.0 1.8 5.16 1171 990 A 33 LYS HB2 A 31 GLN HE22 1.0 1.8 4.73 1172 991 A 38 THR H A 73 PRO HDx 1.0 1.8 4.00 1173 991 A 73 PRO HDy A 38 THR H 1.0 1.8 4.00 1174 992 A 36 ARG HA A 38 THR H 1.0 1.8 4.50 1175 993 A 51 GLN H A 47 TYR H 1.0 1.8 6.00 1176 994 A 32 PHE HE% A 47 TYR H 1.0 1.8 3.90 1177 995 A 51 GLN H A 48 CYS HA 1.0 1.8 4.36 1178 996 A 58 ILE HG12 A 54 SER H 1.0 1.8 4.77 1179 997 A 72 THR H A 40 LEU HG 1.0 1.8 4.77 1180 998 A 71 ASP HB2 A 76 LEU H 1.0 1.8 6.00 1181 999 A 18 ILE HG2% A 80 ASP H 1.0 1.8 3.96 1182 1000 A 18 ILE HB A 81 GLU H 1.0 1.8 4.31 1183 1001 A 84 ILE H A 21 LYS HE3 1.0 1.8 5.89 1184 1002 A 58 ILE HG12 A 88 GLN HE2y 1.0 1.8 6.00 1185 1003 A 57 GLN H A 57 GLN HE22 1.0 1.8 3.86 1186 1004 A 31 GLN HB3 A 31 GLN HE21 1.0 1.8 4.19 1187 1005 A 18 ILE HD1% A 78 MET H 1.0 1.8 4.52 1188 1006 A 83 THR H A 82 ASP H 1.0 1.8 4.71 1189 1007 A 56 ARG H A 55 MET HB2 1.0 1.8 3.23 1190 1008 A 12 THR H A 11 LYS HA 1.0 1.8 2.65 1191 1009 A 25 GLN HB2 A 26 ASP H 1.0 1.8 4.08 1192 1010 A 61 ARG HG3 A 62 PHE H 1.0 1.8 3.80 1193 1011 A 25 GLN HE22 A 88 GLN HE2y 1.0 1.8 4.04 1194 1012 A 57 GLN HB2 A 57 GLN HE22 1.0 1.8 3.73 1195 1013 A 71 ASP H A 68 ASN HB2 1.0 1.8 4.02 1196 1014 A 3 ASP H A 2 ALA H 1.0 1.8 3.27 1197 1015 A 24 GLY H A 28 SER H 1.0 1.8 4.08 1198 1016 A 36 ARG H A 17 HIS HA 1.0 1.8 3.81 1199 1017 A 8 GLU HA A 9 GLY H 1.0 1.8 2.84 1200 1018 A 20 LEU H A 33 LYS H 1.0 1.8 4.97 1201 1019 A 29 VAL HA A 24 GLY H 1.0 1.8 3.90 1202 1020 A 18 ILE H A 17 HIS HA 1.0 1.8 3.41 1203 1021 A 87 PHE H A 58 ILE HB 1.0 1.8 4.41 1204 1022 A 22 VAL HB A 47 TYR HD% 1.0 1.8 3.67 1205 1023 A 33 LYS HG3 A 17 HIS HD2 1.0 1.8 4.59 1206 1024 A 47 TYR HE% A 53 LEU HB3 1.0 1.8 4.67 1207 1025 A 86 VAL HB A 87 PHE H 1.0 1.8 4.17 1208 1026 A 44 MET HE% A 70 THR H 1.0 1.8 4.43 1209 1027 A 18 ILE HB A 19 ASN HD22 1.0 1.8 5.16 1210 1028 A 87 PHE H A 61 ARG HB3 1.0 1.8 6.00 1211 1029 A 22 VAL H A 21 LYS HG2 1.0 1.8 4.29 1212 1030 A 67 ILE H A 67 ILE HB 1.0 1.8 3.79 1213 1031 A 32 PHE HE% A 46 ALA HB% 1.0 1.8 3.24 1214 1032 A 75 GLN HBy A 77 GLU H 1.0 1.8 4.69 1215 1033 A 31 GLN HE22 A 33 LYS HDx 1.0 1.8 4.27 1216 1033 A 33 LYS HDy A 31 GLN HE22 1.0 1.8 4.27 1217 1034 A 21 LYS H A 31 GLN HG2 1.0 1.8 4.50 1218 1035 A 64 GLY H A 61 ARG HB3 1.0 1.8 5.94 1219 1036 A 23 ALA HB% A 23 ALA H 1.0 1.8 3.17 1220 1037 A 67 ILE H A 61 ARG HB2 1.0 1.8 4.26 1221 1038 A 75 GLN H A 75 GLN HGx 1.0 1.8 3.90 1222 1038 A 75 GLN H A 75 GLN HGy 1.0 1.8 3.90 1223 1039 A 57 GLN HE21 A 56 ARG HB3 1.0 1.8 5.41 1224 1040 A 8 GLU H A 6 PRO HB3 1.0 1.8 4.42 1225 1041 A 88 GLN HB2 A 89 GLN H 1.0 1.8 4.69 1226 1042 A 32 PHE HE% A 22 VAL HB 1.0 1.8 3.68 1227 1043 A 67 ILE H A 67 ILE HG13 1.0 1.8 3.78 1228 1044 A 7 LYS H A 6 PRO HB2 1.0 1.8 3.70 1229 1045 A 88 GLN HGy A 88 GLN HE2y 1.0 1.8 3.58 1230 1046 A 62 PHE HD% A 84 ILE HB 1.0 1.8 5.27 1231 1047 A 21 LYS H A 21 LYS HB2 1.0 1.8 3.34 1232 1048 A 29 VAL HB A 29 VAL H 1.0 1.8 3.63 1233 1049 A 88 GLN HB2 A 25 GLN HE22 1.0 1.8 4.33 1234 1050 A 57 GLN H A 57 GLN HG2 1.0 1.8 4.44 1235 1051 A 53 LEU H A 51 GLN HB2 1.0 1.8 4.14 1236 1052 A 53 LEU H A 53 LEU HG 1.0 1.8 4.60 1237 1053 A 26 ASP H A 25 GLN HB3 1.0 1.8 4.76 1238 1054 A 73 PRO HG3 A 74 ALA H 1.0 1.8 5.10 1239 1055 A 43 LEU H A 43 LEU HB2 1.0 1.8 3.86 1240 1056 A 47 TYR HD% A 50 ARG HGx 1.0 1.8 4.51 1241 1056 A 47 TYR HD% A 50 ARG HGy 1.0 1.8 4.51 1242 1057 A 65 GLN HG2 A 65 GLN H 1.0 1.8 4.05 1243 1058 A 59 ARG H A 59 ARG HBy 1.0 1.8 4.00 1244 1059 A 57 GLN H A 56 ARG HB3 1.0 1.8 4.20 1245 1060 A 30 VAL H A 21 LYS HG3 1.0 1.8 4.24 1246 1061 A 61 ARG HG3 A 87 PHE HE% 1.0 1.8 4.51 1247 1062 A 46 ALA HB% A 48 CYS H 1.0 1.8 4.82 1248 1063 A 35 LYS H A 34 ILE HG13 1.0 1.8 4.44 1249 1064 A 49 GLU HB3 A 50 ARG H 1.0 1.8 3.61 1250 1065 A 33 LYS HG3 A 33 LYS H 1.0 1.8 4.36 1251 1066 A 53 LEU HG A 88 GLN HE2x 1.0 1.8 5.87 1252 1067 A 46 ALA HB% A 50 ARG H 1.0 1.8 4.67 1253 1068 A 5 LYS H A 4 GLU HGx 1.0 1.8 4.98 1254 1068 A 4 GLU HGy A 5 LYS H 1.0 1.8 4.98 1255 1069 A 74 ALA H A 78 MET HB3 1.0 1.8 6.00 1256 1070 A 60 PHE H A 58 ILE HG13 1.0 1.8 5.44 1257 1071 A 22 VAL H A 31 GLN HB3 1.0 1.8 6.00 1258 1072 A 44 MET HE% A 68 ASN HD22 1.0 1.8 6.00 1259 1073 A 25 GLN HB3 A 25 GLN HE21 1.0 1.8 5.05 1260 1074 A 39 PRO HB3 A 42 LYS H 1.0 1.8 6.00 1261 1075 A 39 PRO HG3 A 42 LYS H 1.0 1.8 6.00 1262 1076 A 49 GLU HB3 A 52 GLY H 1.0 1.8 6.00 1263 1077 A 61 ARG HG2 A 64 GLY H 1.0 1.8 5.52 1264 1078 A 47 TYR H A 44 MET HBx 1.0 1.8 5.32 1265 1078 A 44 MET HBy A 47 TYR H 1.0 1.8 5.32 1266 1079 A 84 ILE HG2% A 84 ILE H 1.0 1.8 4.05 1267 1080 A 32 PHE HD% A 32 PHE H 1.0 1.8 3.73 1268 1081 A 25 GLN H A 87 PHE HD% 1.0 1.8 5.24 1269 1082 A 19 ASN H A 18 ILE HG2% 1.0 1.8 3.73 1270 1083 A 22 VAL H A 30 VAL HGx% 1.0 1.8 4.95 1271 1084 A 84 ILE HD1% A 21 LYS H 1.0 1.8 5.34 1272 1085 A 40 LEU HDx% A 68 ASN H 1.0 1.8 5.24 1273 1086 A 84 ILE HD1% A 23 ALA H 1.0 1.8 5.39 1274 1087 A 20 LEU H A 20 LEU HDx% 1.0 1.8 4.19 1275 1088 A 84 ILE HD1% A 22 VAL H 1.0 1.8 5.48 1276 1089 A 85 ASP H A 62 PHE HD% 1.0 1.8 3.85 1277 1090 A 22 VAL H A 21 LYS HB2 1.0 1.8 4.41 1278 1091 A 25 GLN H A 25 GLN HB2 1.0 1.8 3.67 1279 1092 A 69 GLU HG2 A 69 GLU H 1.0 1.8 4.01 1280 1093 A 31 GLN HG3 A 32 PHE H 1.0 1.8 4.31 1281 1094 A 79 GLU H A 80 ASP H 1.0 1.8 4.65 1282 1095 A 83 THR HG2% A 23 ALA H 1.0 1.8 3.61 1283 1096 A 22 VAL H A 83 THR HG2% 1.0 1.8 4.26 1284 1097 A 85 ASP H A 83 THR HG2% 1.0 1.8 4.98 1285 1098 A 30 VAL H A 32 PHE HZ 1.0 1.8 5.22 1286 1099 A 68 ASN H A 70 THR H 1.0 1.8 4.61 1287 1100 A 32 PHE HZ A 47 TYR H 1.0 1.8 3.98 1288 1101 A 32 PHE HE% A 30 VAL H 1.0 1.8 4.75 1289 1102 A 32 PHE HE% A 22 VAL H 1.0 1.8 4.31 1290 1103 A 85 ASP HA A 23 ALA H 1.0 1.8 4.59 1291 1104 A 23 ALA H A 83 THR HA 1.0 1.8 5.53 1292 1105 A 68 ASN H A 68 ASN HB3 1.0 1.8 3.81 1293 1106 A 68 ASN H A 71 ASP HB2 1.0 1.8 4.53 1294 1107 A 68 ASN HB3 A 69 GLU H 1.0 1.8 3.71 1295 1108 A 85 ASP H A 85 ASP HBx 1.0 1.8 3.27 1296 1108 A 85 ASP HBy A 85 ASP H 1.0 1.8 3.27 1297 1109 A 55 MET HB3 A 55 MET H 1.0 1.8 3.91 1298 1110 A 32 PHE H A 19 ASN HB2 1.0 1.8 5.33 1299 1111 A 84 ILE HG2% A 23 ALA H 1.0 1.8 4.33 1300 1112 A 84 ILE HG2% A 85 ASP H 1.0 1.8 3.55 1301 1113 A 25 GLN H A 86 VAL H 1.0 1.8 4.63 1302 1114 A 22 VAL H A 31 GLN H 1.0 1.8 5.00 1303 1115 A 18 ILE H A 17 HIS H 1.0 1.8 4.54 1304 1116 A 18 ILE H A 17 HIS HD2 1.0 1.8 4.20 1305 1117 A 54 SER HB3 A 55 MET H 1.0 1.8 3.93 1306 1118 A 69 GLU HG3 A 69 GLU H 1.0 1.8 3.69 1307 1119 A 61 ARG H A 62 PHE H 1.0 1.8 6.00 1308 1120 A 63 ASP HA A 62 PHE H 1.0 1.8 5.97 1309 1121 A 34 ILE H A 17 HIS HD2 1.0 1.8 4.35 1310 1122 A 13 GLU H A 12 THR HB 1.0 1.8 4.03 1311 1123 A 24 GLY H A 25 GLN HA 1.0 1.8 5.49 1312 1124 A 50 ARG HD3 A 47 TYR H 1.0 1.8 6.00 1313 1125 A 72 THR H A 39 PRO HA 1.0 1.8 4.95 1314 1126 A 55 MET HA A 57 GLN H 1.0 1.8 4.74 1315 1127 A 73 PRO HA A 77 GLU H 1.0 1.8 5.00 1316 1128 A 32 PHE HE% A 46 ALA HA 1.0 1.8 4.89 1317 1129 A 43 LEU HG A 41 SER H 1.0 1.8 5.83 1318 1130 A 58 ILE HG2% A 89 GLN H 1.0 1.8 6.00 1319 1131 A 30 VAL H A 30 VAL HGx% 1.0 1.8 4.02 1320 1132 A 87 PHE H A 58 ILE HD1% 1.0 1.8 5.19 1321 1133 A 86 VAL H A 87 PHE HE% 1.0 1.8 4.75 1322 1134 A 32 PHE HD% A 33 LYS H 1.0 1.8 4.77 1323 1135 A 87 PHE H A 87 PHE HE% 1.0 1.8 4.75 1324 1136 A 47 TYR HD% A 48 CYS H 1.0 1.8 3.73 1325 1137 A 30 VAL H A 47 TYR HD% 1.0 1.8 4.51 1326 1138 A 59 ARG H A 87 PHE HD% 1.0 1.8 5.11 1327 1139 A 87 PHE H A 87 PHE HD% 1.0 1.8 3.18 1328 1140 A 25 GLN HE22 A 26 ASP H 1.0 1.8 4.11 1329 1141 A 17 HIS H A 16 ASP HBx 1.0 1.8 3.87 1330 1141 A 16 ASP HBy A 17 HIS H 1.0 1.8 3.87 1331 1142 A 87 PHE H A 87 PHE HB2 1.0 1.8 3.44 1332 1143 A 45 LYS H A 45 LYS HEx 1.0 1.8 4.65 1333 1143 A 45 LYS H A 45 LYS HEy 1.0 1.8 4.65 1334 1144 A 17 HIS HB3 A 16 ASP H 1.0 1.8 4.75 1335 1145 A 88 GLN H A 87 PHE HB3 1.0 1.8 3.48 1336 1146 A 19 ASN HB2 A 19 ASN HD22 1.0 1.8 3.53 1337 1147 A 37 HIS H A 35 LYS HEx 1.0 1.8 5.45 1338 1148 A 37 HIS H A 35 LYS HEy 1.0 1.8 5.45 1339 1149 A 36 ARG H A 17 HIS HB2 1.0 1.8 5.36 1340 1150 A 87 PHE H A 85 ASP HBx 1.0 1.8 5.64 1341 1150 A 85 ASP HBy A 87 PHE H 1.0 1.8 5.64 1342 1151 A 62 PHE HD% A 64 GLY H 1.0 1.8 5.17 1343 1152 A 47 TYR HE% A 30 VAL H 1.0 1.8 4.28 1344 1153 A 47 TYR HA A 46 ALA H 1.0 1.8 5.48 1345 1154 A 60 PHE HZ A 45 LYS HA 1.0 1.8 6.00 1346 1155 A 71 ASP H A 69 GLU HA 1.0 1.8 4.22 1347 1156 A 42 LYS HA A 46 ALA H 1.0 1.8 4.44 1348 1157 A 57 GLN H A 54 SER HB3 1.0 1.8 4.34 1349 1158 A 53 LEU H A 48 CYS HA 1.0 1.8 3.67 1350 1159 A 41 SER HA A 44 MET H 1.0 1.8 3.91 1351 1160 A 45 LYS H A 41 SER HA 1.0 1.8 4.23 1352 1161 A 40 LEU HA A 42 LYS H 1.0 1.8 4.02 1353 1162 A 52 GLY H A 48 CYS HA 1.0 1.8 4.48 1354 1163 A 45 LYS HA A 48 CYS H 1.0 1.8 4.21 1355 1164 A 27 GLY H A 28 SER HB3 1.0 1.8 5.93 1356 1165 A 41 SER HA A 46 ALA H 1.0 1.8 5.78 1357 1166 A 30 VAL H A 30 VAL HGy% 1.0 1.8 3.21 1358 1167 A 57 GLN HA A 90 GLN H 1.0 1.8 4.59 1359 1168 A 87 PHE H A 89 GLN HE2x 1.0 1.8 6.00 1360 1169 A 88 GLN H A 89 GLN HE2x 1.0 1.8 6.00 1361 1170 A 3 ASP HA A 5 LYS H 1.0 1.8 5.41 1362 1171 A 24 GLY HA2 A 26 ASP H 1.0 1.8 5.74 1363 1172 A 57 GLN HA A 89 GLN H 1.0 1.8 4.64 1364 1173 A 74 ALA H A 72 THR HB 1.0 1.8 4.22 1365 1174 A 30 VAL H A 23 ALA H 1.0 1.8 6.00 1366 1175 A 21 LYS H A 32 PHE H 1.0 1.8 5.20 1367 1176 A 15 ASN H A 15 ASN HD2y 1.0 1.8 5.92 1368 1177 A 15 ASN H A 14 ASN HD22 1.0 1.8 6.00 1369 1178 A 15 ASN HD2x A 15 ASN H 1.0 1.8 5.92 1370 1179 A 59 ARG H A 89 GLN HE2x 1.0 1.8 4.92 1371 1180 A 31 GLN H A 31 GLN HE21 1.0 1.8 4.98 1372 1181 A 31 GLN H A 31 GLN HE22 1.0 1.8 6.00 1373 1182 A 31 GLN HE22 A 33 LYS H 1.0 1.8 6.00 1374 1183 A 32 PHE H A 33 LYS H 1.0 1.8 4.83 1375 1184 A 89 GLN H A 90 GLN H 1.0 1.8 5.71 1376 1185 A 59 ARG H A 88 GLN HE2y 1.0 1.8 5.69 1377 1186 A 12 THR H A 11 LYS H 1.0 1.8 4.92 1378 1187 A 92 GLY H A 91 THR H 1.0 1.8 4.54 1379 1188 A 60 PHE HE% A 44 MET H 1.0 1.8 5.01 1380 1189 A 89 GLN HE2x A 89 GLN H 1.0 1.8 4.71 1381 1190 A 47 TYR HE% A 48 CYS H 1.0 1.8 4.96 1382 1191 A 40 LEU HDx% A 44 MET H 1.0 1.8 6.00 1383 1192 A 40 LEU HDx% A 74 ALA H 1.0 1.8 6.00 1384 1193 A 40 LEU HDx% A 41 SER H 1.0 1.8 5.67 1385 1194 A 12 THR H A 10 VAL HGx% 1.0 1.8 4.51 1386 1194 A 12 THR H A 10 VAL HGy% 1.0 1.8 4.51 1387 1195 A 71 ASP H A 41 SER H 1.0 1.8 5.32 1388 1196 A 40 LEU HDx% A 72 THR H 1.0 1.8 5.03 1389 1197 A 88 GLN HE2y A 53 LEU HDx% 1.0 1.8 4.38 1390 1198 A 84 ILE HD1% A 62 PHE HD% 1.0 1.8 4.46 1391 1199 A 67 ILE HG2% A 65 GLN HE22 1.0 1.8 5.01 1392 1200 A 18 ILE HG2% A 36 ARG HE 1.0 1.8 4.16 1393 1201 A 60 PHE HD% A 84 ILE HD1% 1.0 1.8 4.21 1394 1202 A 62 PHE HD% A 67 ILE HG2% 1.0 1.8 3.91 1395 1203 A 76 LEU H A 76 LEU HDx% 1.0 1.8 3.86 1396 1204 A 47 TYR HE% A 22 VAL HGy% 1.0 1.8 4.82 1397 1205 A 60 PHE HE% A 22 VAL HGy% 1.0 1.8 4.37 1398 1206 A 60 PHE HD% A 67 ILE HG12 1.0 1.8 4.68 1399 1207 A 34 ILE HG2% A 42 LYS H 1.0 1.8 4.73 1400 1208 A 58 ILE HD1% A 88 GLN HE2x 1.0 1.8 4.80 1401 1209 A 78 MET H A 76 LEU HDx% 1.0 1.8 4.97 1402 1210 A 78 MET H A 76 LEU HDy% 1.0 1.8 4.97 1403 1211 A 71 ASP H A 68 ASN HD22 1.0 1.8 5.46 1404 1212 A 40 LEU H A 72 THR H 1.0 1.8 5.25 1405 1213 A 10 VAL H A 11 LYS H 1.0 1.8 4.63 1406 1214 A 32 PHE HZ A 50 ARG H 1.0 1.8 6.00 1407 1215 A 69 GLU H A 68 ASN HD22 1.0 1.8 5.95 1408 1216 A 56 ARG H A 58 ILE H 1.0 1.8 4.16 1409 1217 A 56 ARG H A 56 ARG HE 1.0 1.8 4.96 1410 1218 A 87 PHE H A 86 VAL H 1.0 1.8 4.53 1411 1219 A 24 GLY H A 86 VAL H 1.0 1.8 5.27 1412 1220 A 51 GLN H A 50 ARG HD2 1.0 1.8 5.20 1413 1221 A 51 GLN H A 48 CYS HBx 1.0 1.8 5.97 1414 1222 A 61 ARG HD3 A 87 PHE HE% 1.0 1.8 4.36 1415 1223 A 32 PHE HZ A 47 TYR HB2 1.0 1.8 3.81 1416 1224 A 62 PHE HD% A 63 ASP HB2 1.0 1.8 4.04 1417 1225 A 50 ARG HD2 A 51 GLN HE22 1.0 1.8 5.69 1418 1226 A 47 TYR HD% A 50 ARG HD3 1.0 1.8 5.54 1419 1227 A 68 ASN HB3 A 70 THR H 1.0 1.8 3.92 1420 1228 A 32 PHE HZ A 50 ARG HD3 1.0 1.8 4.42 1421 1229 A 40 LEU HDy% A 42 LYS H 1.0 1.8 5.36 1422 1230 A 87 PHE HB3 A 25 GLN HE21 1.0 1.8 5.73 1423 1231 A 67 ILE HA A 65 GLN HE21 1.0 1.8 5.67 1424 1232 A 84 ILE HG2% A 62 PHE HD% 1.0 1.8 4.05 1425 1233 A 32 PHE HZ A 30 VAL HA 1.0 1.8 6.00 1426 1234 A 47 TYR HD% A 30 VAL HA 1.0 1.8 5.21 1427 1235 A 32 PHE HE% A 31 GLN H 1.0 1.8 4.61 1428 1236 A 35 LYS HGy A 38 THR H 1.0 1.8 5.12 1429 1237 A 58 ILE H A 58 ILE HG13 1.0 1.8 3.40 1430 1238 A 62 PHE HD% A 65 GLN H 1.0 1.8 5.28 1431 1239 A 62 PHE HD% A 61 ARG H 1.0 1.8 6.00 1432 1240 A 32 PHE HE% A 32 PHE H 1.0 1.8 4.79 1433 1241 A 85 ASP H A 87 PHE HZ 1.0 1.8 6.00 1434 1242 A 62 PHE H A 87 PHE HE% 1.0 1.8 6.00 1435 1243 A 60 PHE HZ A 48 CYS H 1.0 1.8 4.29 1436 1244 A 60 PHE HZ A 44 MET H 1.0 1.8 5.29 1437 1245 A 32 PHE HE% A 43 LEU HDy% 1.0 1.8 4.88 1438 1246 A 47 TYR HD% A 50 ARG H 1.0 1.8 5.80 1439 1247 A 32 PHE HD% A 46 ALA HA 1.0 1.8 6.00 1440 1248 A 47 TYR HD% A 51 GLN HA 1.0 1.8 6.00 1441 1249 A 47 TYR HD% A 47 TYR HA 1.0 1.8 3.16 1442 1250 A 47 TYR HD% A 45 LYS HA 1.0 1.8 5.95 1443 1251 A 47 TYR HD% A 48 CYS HA 1.0 1.8 3.88 1444 1252 A 25 GLN HE22 A 27 GLY H 1.0 1.8 5.03 1445 1253 A 55 MET HE% A 60 PHE HE% 1.0 1.8 3.91 1446 1254 A 47 TYR HE% A 22 VAL HB 1.0 1.8 3.77 1447 1255 A 82 ASP H A 19 ASN HD21 1.0 1.8 5.11 1448 1256 A 60 PHE HE% A 47 TYR H 1.0 1.8 5.29 1449 1257 A 47 TYR HE% A 28 SER HA 1.0 1.8 5.63 1450 1258 A 47 TYR HE% A 30 VAL HA 1.0 1.8 6.00 1451 1259 A 89 GLN HA A 89 GLN HE2x 1.0 1.8 5.98 1452 1260 A 47 TYR HE% A 47 TYR HA 1.0 1.8 5.03 1453 1261 A 60 PHE HE% A 45 LYS HA 1.0 1.8 5.61 1454 1262 A 60 PHE HE% A 58 ILE HG12 1.0 1.8 4.97 1455 1263 A 60 PHE HE% A 58 ILE HG13 1.0 1.8 4.45 1456 1264 A 67 ILE HD1% A 60 PHE HE% 1.0 1.8 4.53 1457 1265 A 84 ILE HD1% A 60 PHE HE% 1.0 1.8 5.11 1458 1266 A 60 PHE HE% A 84 ILE HB 1.0 1.8 5.09 1459 1267 A 47 TYR HE% A 50 ARG HGx 1.0 1.8 5.75 1460 1267 A 47 TYR HE% A 50 ARG HGy 1.0 1.8 5.75 1461 1268 A 86 VAL HGx% A 88 GLN HE2x 1.0 1.8 5.12 1462 1269 A 81 GLU HG2 A 19 ASN HD21 1.0 1.8 4.68 1463 1270 A 33 LYS HG3 A 19 ASN HD21 1.0 1.8 5.48 1464 1271 A 47 TYR HE% A 29 VAL HB 1.0 1.8 5.57 1465 1272 A 47 TYR HE% A 58 ILE HG2% 1.0 1.8 4.26 1466 1273 A 17 HIS HD2 A 33 LYS HEx 1.0 1.8 5.15 1467 1273 A 33 LYS HEy A 17 HIS HD2 1.0 1.8 5.15 1468 1274 A 17 HIS H A 17 HIS HD2 1.0 1.8 5.31 1469 1275 A 20 LEU H A 33 LYS HA 1.0 1.8 3.88 1470 1276 A 34 ILE H A 19 ASN HA 1.0 1.8 4.49 1471 1277 A 18 ILE H A 19 ASN HA 1.0 1.8 5.55 1472 1278 A 32 PHE H A 19 ASN HA 1.0 1.8 5.89 1473 1279 A 32 PHE H A 20 LEU HA 1.0 1.8 5.14 1474 1280 A 19 ASN H A 20 LEU HA 1.0 1.8 5.26 1475 1281 A 33 LYS HA A 19 ASN HB2 1.0 1.8 4.87 1476 1282 A 72 THR HA A 71 ASP HB2 1.0 1.8 4.92 1477 1283 A 61 ARG HA A 61 ARG HD2 1.0 1.8 4.91 1478 1284 A 19 ASN HB2 A 20 LEU HA 1.0 1.8 5.42 1479 1285 A 61 ARG HD3 A 61 ARG HA 1.0 1.8 5.10 1480 1286 A 19 ASN HA A 33 LYS H 1.0 1.8 5.01 1481 1287 A 23 ALA HA A 24 GLY H 1.0 1.8 3.04 1482 1288 A 87 PHE H A 86 VAL HA 1.0 1.8 2.88 1483 1289 A 7 LYS H A 6 PRO HA 1.0 1.8 2.70 1484 1290 A 92 GLY H A 91 THR HA 1.0 1.8 3.36 1485 1291 A 21 LYS H A 83 THR HA 1.0 1.8 3.78 1486 1292 A 85 ASP HA A 87 PHE HZ 1.0 1.8 5.35 1487 1293 A 60 PHE HA A 60 PHE HZ 1.0 1.8 6.00 1488 1294 A 34 ILE HG2% A 43 LEU HA 1.0 1.8 4.57 1489 1295 A 58 ILE HD1% A 55 MET HA 1.0 1.8 4.07 1490 1296 A 34 ILE HG2% A 33 LYS HA 1.0 1.8 3.99 1491 1297 A 34 ILE HG2% A 19 ASN HA 1.0 1.8 5.36 1492 1298 A 18 ILE HG2% A 19 ASN HA 1.0 1.8 5.80 1493 1299 A 30 VAL HGx% A 30 VAL HA 1.0 1.8 2.97 1494 1300 A 20 LEU HA A 20 LEU HDy% 1.0 1.8 3.94 1495 1301 A 73 PRO HA A 76 LEU HDy% 1.0 1.8 4.13 1496 1302 A 43 LEU HA A 43 LEU HG 1.0 1.8 3.85 1497 1303 A 30 VAL HGx% A 31 GLN HA 1.0 1.8 4.18 1498 1304 A 60 PHE HA A 58 ILE HD1% 1.0 1.8 5.12 1499 1305 A 67 ILE HA A 67 ILE HG2% 1.0 1.8 3.18 1500 1306 A 18 ILE HG2% A 36 ARG HA 1.0 1.8 4.43 1501 1307 A 34 ILE HD1% A 36 ARG HA 1.0 1.8 4.93 1502 1308 A 60 PHE HA A 67 ILE HG12 1.0 1.8 4.79 1503 1309 A 67 ILE HG2% A 62 PHE HA 1.0 1.8 5.16 1504 1310 A 34 ILE HD1% A 73 PRO HDx 1.0 1.8 4.44 1505 1310 A 34 ILE HD1% A 73 PRO HDy 1.0 1.8 4.44 1506 1311 A 38 THR HB A 35 LYS HGx 1.0 1.8 5.50 1507 1312 A 22 VAL HGy% A 47 TYR HA 1.0 1.8 5.91 1508 1313 A 34 ILE HD1% A 39 PRO HA 1.0 1.8 5.20 1509 1314 A 34 ILE HD1% A 73 PRO HA 1.0 1.8 5.77 1510 1315 A 34 ILE HD1% A 39 PRO HD2 1.0 1.8 5.60 1511 1316 A 58 ILE HD1% A 45 LYS HA 1.0 1.8 6.00 1512 1317 A 72 THR HA A 34 ILE HD1% 1.0 1.8 4.98 1513 1318 A 19 ASN HA A 20 LEU HDy% 1.0 1.8 5.32 1514 1319 A 22 VAL HGy% A 20 LEU HA 1.0 1.8 5.56 1515 1320 A 33 LYS HA A 17 HIS HD2 1.0 1.8 4.29 1516 1321 A 84 ILE HD1% A 62 PHE HA 1.0 1.8 6.00 1517 1322 A 19 ASN HA A 20 LEU HDx% 1.0 1.8 5.32 1518 1323 A 40 LEU HDx% A 72 THR HA 1.0 1.8 4.57 1519 1324 A 67 ILE HD1% A 62 PHE HA 1.0 1.8 5.25 1520 1325 A 84 ILE HD1% A 83 THR HA 1.0 1.8 4.94 1521 1326 A 67 ILE HD1% A 61 ARG HA 1.0 1.8 4.25 1522 1327 A 84 ILE HD1% A 20 LEU HA 1.0 1.8 4.77 1523 1328 A 23 ALA HA A 29 VAL HGy% 1.0 1.8 4.03 1524 1329 A 60 PHE HA A 84 ILE HG2% 1.0 1.8 3.60 1525 1330 A 83 THR HG2% A 83 THR HA 1.0 1.8 3.19 1526 1331 A 42 LYS H A 43 LEU HA 1.0 1.8 5.63 1527 1332 A 27 GLY H A 28 SER HB2 1.0 1.8 4.64 1528 1333 A 49 GLU HA A 52 GLY H 1.0 1.8 4.13 1529 1334 A 50 ARG HA A 52 GLY H 1.0 1.8 4.47 1530 1335 A 25 GLN HA A 27 GLY H 1.0 1.8 4.20 1531 1336 A 38 THR HB A 37 HIS H 1.0 1.8 4.12 1532 1337 A 60 PHE HA A 67 ILE H 1.0 1.8 5.33 1533 1338 A 33 LYS HA A 19 ASN HD21 1.0 1.8 6.00 1534 1339 A 60 PHE HA A 60 PHE HD% 1.0 1.8 3.45 1535 1340 A 60 PHE HA A 60 PHE HE% 1.0 1.8 4.79 1536 1341 A 61 ARG HA A 66 PRO HB2 1.0 1.8 4.80 1537 1342 A 31 GLN HA A 31 GLN HG3 1.0 1.8 3.90 1538 1343 A 31 GLN HA A 21 LYS HB2 1.0 1.8 3.99 1539 1344 A 23 ALA HA A 29 VAL HB 1.0 1.8 4.51 1540 1345 A 58 ILE HA A 87 PHE HB2 1.0 1.8 5.74 1541 1346 A 72 THR HA A 72 THR HG2% 1.0 1.8 3.30 1542 1347 A 71 ASP HB3 A 72 THR HA 1.0 1.8 5.82 1543 1348 A 21 LYS HA A 21 LYS HE2 1.0 1.8 5.00 1544 1349 A 86 VAL HGx% A 58 ILE HA 1.0 1.8 4.66 1545 1350 A 84 ILE HA A 62 PHE HD% 1.0 1.8 3.50 1546 1351 A 1 MET HA A 1 MET HGy 1.0 1.8 4.18 1547 1352 A 25 GLN H A 24 GLY HA2 1.0 1.8 3.51 1548 1353 A 40 LEU H A 41 SER HA 1.0 1.8 5.07 1549 1354 A 40 LEU H A 73 PRO HDx 1.0 1.8 4.62 1550 1354 A 40 LEU H A 73 PRO HDy 1.0 1.8 4.62 1551 1355 A 1 MET HA A 2 ALA H 1.0 1.8 3.31 1552 1356 A 56 ARG H A 54 SER HB3 1.0 1.8 3.51 1553 1357 A 53 LEU H A 49 GLU HA 1.0 1.8 5.59 1554 1358 A 80 ASP HA A 19 ASN HD22 1.0 1.8 5.50 1555 1359 A 40 LEU HDx% A 73 PRO HA 1.0 1.8 4.19 1556 1360 A 40 LEU HDy% A 73 PRO HA 1.0 1.8 4.33 1557 1361 A 58 ILE HG2% A 55 MET HA 1.0 1.8 4.13 1558 1362 A 40 LEU HDy% A 72 THR HB 1.0 1.8 5.08 1559 1363 A 35 LYS H A 38 THR HB 1.0 1.8 3.12 1560 1364 A 74 ALA H A 73 PRO HDx 1.0 1.8 3.91 1561 1364 A 74 ALA H A 73 PRO HDy 1.0 1.8 3.91 1562 1365 A 54 SER HB3 A 58 ILE H 1.0 1.8 4.50 1563 1366 A 32 PHE HZ A 47 TYR HA 1.0 1.8 3.51 1564 1367 A 76 LEU H A 73 PRO HA 1.0 1.8 4.22 1565 1368 A 55 MET HA A 58 ILE H 1.0 1.8 3.67 1566 1369 A 32 PHE HE% A 47 TYR HA 1.0 1.8 4.26 1567 1370 A 32 PHE HE% A 30 VAL HA 1.0 1.8 4.90 1568 1371 A 47 TYR HE% A 24 GLY HA2 1.0 1.8 5.14 1569 1372 A 78 MET HA A 82 ASP HBx 1.0 1.8 6.00 1570 1373 A 28 SER HA A 26 ASP HBx 1.0 1.8 5.27 1571 1374 A 74 ALA HB% A 36 ARG HA 1.0 1.8 4.22 1572 1375 A 84 ILE HG2% A 84 ILE HA 1.0 1.8 3.45 1573 1376 A 72 THR HG2% A 73 PRO HDx 1.0 1.8 3.55 1574 1376 A 72 THR HG2% A 73 PRO HDy 1.0 1.8 3.55 1575 1377 A 86 VAL HGy% A 24 GLY HA2 1.0 1.8 4.90 1576 1378 A 70 THR H A 70 THR HB 1.0 1.8 4.05 1577 1379 A 56 ARG HA A 56 ARG HDx 1.0 1.8 3.84 1578 1379 A 56 ARG HDy A 56 ARG HA 1.0 1.8 3.84 1579 1380 A 51 GLN HA A 51 GLN HE22 1.0 1.8 4.24 1580 1381 A 60 PHE HE% A 55 MET HA 1.0 1.8 4.65 1581 1382 A 47 TYR HE% A 51 GLN HA 1.0 1.8 5.80 1582 1383 A 30 VAL HGy% A 51 GLN HA 1.0 1.8 4.63 1583 1384 A 30 VAL HGy% A 30 VAL HA 1.0 1.8 3.00 1584 1385 A 51 GLN HA A 51 GLN HE21 1.0 1.8 4.49 1585 1386 A 6 PRO HD2 A 4 GLU HA 1.0 1.8 5.36 1586 1387 A 43 LEU HA A 46 ALA HA 1.0 1.8 5.94 1587 1388 A 18 ILE HD1% A 78 MET HA 1.0 1.8 5.17 1588 1389 A 64 GLY H A 63 ASP HA 1.0 1.8 3.47 1589 1390 A 63 ASP HA A 64 GLY HA2 1.0 1.8 4.86 1590 1391 A 24 GLY HA3 A 26 ASP HBy 1.0 1.8 4.99 1591 1392 A 47 TYR HB3 A 48 CYS HA 1.0 1.8 5.31 1592 1393 A 47 TYR HA A 50 ARG HD3 1.0 1.8 3.79 1593 1394 A 61 ARG HD3 A 64 GLY HA3 1.0 1.8 4.99 1594 1395 A 40 LEU HDy% A 38 THR HB 1.0 1.8 5.95 1595 1396 A 41 SER HA A 43 LEU HG 1.0 1.8 5.72 1596 1397 A 58 ILE HG2% A 54 SER HB3 1.0 1.8 5.94 1597 1398 A 40 LEU HDx% A 73 PRO HDx 1.0 1.8 4.38 1598 1398 A 40 LEU HDx% A 73 PRO HDy 1.0 1.8 4.38 1599 1399 A 40 LEU HA A 43 LEU HG 1.0 1.8 4.36 1600 1400 A 84 ILE HD1% A 83 THR HB 1.0 1.8 5.18 1601 1401 A 58 ILE HG12 A 54 SER HB3 1.0 1.8 5.69 1602 1402 A 30 VAL HGy% A 47 TYR HA 1.0 1.8 4.53 1603 1403 A 24 GLY H A 28 SER HB2 1.0 1.8 4.24 1604 1404 A 55 MET HB3 A 45 LYS HA 1.0 1.8 5.49 1605 1405 A 26 ASP HBx A 28 SER HB3 1.0 1.8 5.17 1606 1406 A 45 LYS HA A 47 TYR H 1.0 1.8 4.85 1607 1407 A 39 PRO HA A 73 PRO HDx 1.0 1.8 5.14 1608 1407 A 39 PRO HA A 73 PRO HDy 1.0 1.8 5.14 1609 1408 A 51 GLN HE21 A 52 GLY HAx 1.0 1.8 6.00 1610 1408 A 51 GLN HE21 A 52 GLY HAy 1.0 1.8 6.00 1611 1409 A 18 ILE HD1% A 73 PRO HDx 1.0 1.8 5.44 1612 1409 A 18 ILE HD1% A 73 PRO HDy 1.0 1.8 5.44 1613 1410 A 81 GLU HA A 19 ASN HB3 1.0 1.8 5.02 1614 1411 A 78 MET HB3 A 73 PRO HDx 1.0 1.8 5.99 1615 1411 A 73 PRO HDy A 78 MET HB3 1.0 1.8 5.99 1616 1412 A 47 TYR HB2 A 48 CYS HA 1.0 1.8 5.81 1617 1413 A 27 GLY HA3 A 26 ASP HBx 1.0 1.8 5.31 1618 1414 A 69 GLU HA A 68 ASN HB2 1.0 1.8 5.91 1619 1415 A 81 GLU HA A 80 ASP HBx 1.0 1.8 5.92 1620 1415 A 80 ASP HBy A 81 GLU HA 1.0 1.8 5.92 1621 1416 A 81 GLU HA A 19 ASN HB2 1.0 1.8 4.17 1622 1417 A 60 PHE HE% A 48 CYS HA 1.0 1.8 5.59 1623 1418 A 47 TYR HE% A 24 GLY HA3 1.0 1.8 5.01 1624 1419 A 47 TYR HE% A 48 CYS HA 1.0 1.8 5.19 1625 1420 A 69 GLU HA A 70 THR HA 1.0 1.8 5.41 1626 1421 A 70 THR HG2% A 69 GLU HA 1.0 1.8 5.10 1627 1422 A 32 PHE HD% A 43 LEU HA 1.0 1.8 4.42 1628 1423 A 61 ARG HB2 A 87 PHE HE% 1.0 1.8 3.82 1629 1424 A 61 ARG HB3 A 87 PHE HE% 1.0 1.8 3.60 1630 1425 A 47 TYR HD% A 30 VAL HGy% 1.0 1.8 3.34 1631 1426 A 84 ILE HG2% A 60 PHE HD% 1.0 1.8 2.96 1632 1427 A 19 ASN HB3 A 31 GLN HE21 1.0 1.8 5.17 1633 1428 A 86 VAL HGx% A 25 GLN HE22 1.0 1.8 4.70 1634 1429 A 86 VAL HGx% A 87 PHE HD% 1.0 1.8 5.11 1635 1430 A 60 PHE HD% A 58 ILE HG13 1.0 1.8 4.29 1636 1431 A 60 PHE HD% A 86 VAL HGx% 1.0 1.8 3.95 1637 1432 A 47 TYR HD% A 51 GLN HGx 1.0 1.8 3.46 1638 1432 A 47 TYR HD% A 51 GLN HGy 1.0 1.8 3.46 1639 1433 A 87 PHE HD% A 25 GLN HGx 1.0 1.8 4.16 1640 1433 A 25 GLN HGy A 87 PHE HD% 1.0 1.8 4.16 1641 1434 A 71 ASP HB2 A 68 ASN HD21 1.0 1.8 4.08 1642 1435 A 87 PHE HD% A 85 ASP HBx 1.0 1.8 3.99 1643 1435 A 85 ASP HBy A 87 PHE HD% 1.0 1.8 3.99 1644 1436 A 67 ILE HD1% A 60 PHE HD% 1.0 1.8 3.27 1645 1437 A 87 PHE HD% A 61 ARG HB2 1.0 1.8 3.61 1646 1438 A 60 PHE HD% A 84 ILE HB 1.0 1.8 3.82 1647 1439 A 61 ARG HG2 A 87 PHE HE% 1.0 1.8 4.17 1648 1440 A 32 PHE HD% A 43 LEU HB2 1.0 1.8 3.96 1649 1441 A 25 GLN HB2 A 25 GLN HE22 1.0 1.8 5.14 1650 1442 A 25 GLN HB2 A 87 PHE HD% 1.0 1.8 5.54 1651 1443 A 31 GLN HE21 A 33 LYS HEx 1.0 1.8 6.00 1652 1443 A 33 LYS HEy A 31 GLN HE21 1.0 1.8 6.00 1653 1444 A 63 ASP HB2 A 65 GLN HE22 1.0 1.8 6.00 1654 1445 A 87 PHE HD% A 25 GLN HB3 1.0 1.8 4.80 1655 1446 A 86 VAL HGx% A 87 PHE HE% 1.0 1.8 5.84 1656 1447 A 36 ARG HA A 36 ARG HE 1.0 1.8 4.92 1657 1448 A 6 PRO HD2 A 3 ASP HA 1.0 1.8 5.11 1658 1449 A 43 LEU HA A 47 TYR HA 1.0 1.8 6.00 1659 1450 A 32 PHE HE% A 43 LEU HA 1.0 1.8 4.24 1660 1451 A 43 LEU HA A 42 LYS HA 1.0 1.8 4.93 1661 1452 A 43 LEU HDy% A 43 LEU HA 1.0 1.8 4.19 1662 1453 A 65 GLN HG2 A 64 GLY HA2 1.0 1.8 6.00 1663 1454 A 47 TYR HA A 50 ARG HD2 1.0 1.8 3.74 1664 1455 A 71 ASP HB3 A 70 THR H 1.0 1.8 4.69 1665 1456 A 61 ARG HG3 A 61 ARG HE 1.0 1.8 3.96 1666 1457 A 30 VAL HGy% A 32 PHE HZ 1.0 1.8 3.64 1667 1458 A 58 ILE HG2% A 58 ILE H 1.0 1.8 3.16 1668 1459 A 32 PHE HZ A 30 VAL HB 1.0 1.8 3.35 1669 1460 A 60 PHE HZ A 44 MET HA 1.0 1.8 3.67 1670 1461 A 87 PHE HZ A 85 ASP HBx 1.0 1.8 3.10 1671 1461 A 85 ASP HBy A 87 PHE HZ 1.0 1.8 3.10 1672 1462 A 56 ARG HE A 56 ARG HGx 1.0 1.8 3.75 1673 1462 A 56 ARG HGy A 56 ARG HE 1.0 1.8 3.75 1674 1463 A 78 MET HG3 A 62 PHE HZ 1.0 1.8 4.97 1675 1464 A 84 ILE HG2% A 60 PHE HZ 1.0 1.8 5.02 1676 1465 A 69 GLU HG3 A 70 THR H 1.0 1.8 4.15 1677 1466 A 32 PHE HE% A 22 VAL HGy% 1.0 1.8 3.04 1678 1467 A 32 PHE HE% A 30 VAL HGx% 1.0 1.8 3.50 1679 1468 A 36 ARG HE A 36 ARG HB2 1.0 1.8 3.27 1680 1469 A 60 PHE HZ A 47 TYR HB3 1.0 1.8 3.64 1681 1470 A 32 PHE HZ A 50 ARG HD2 1.0 1.8 3.81 1682 1471 A 61 ARG HB2 A 61 ARG HE 1.0 1.8 3.98 1683 1472 A 36 ARG HE A 36 ARG HGx 1.0 1.8 3.81 1684 1473 A 32 PHE HE% A 30 VAL HGy% 1.0 1.8 4.07 1685 1474 A 18 ILE HD1% A 36 ARG HE 1.0 1.8 4.37 1686 1475 A 60 PHE HZ A 86 VAL HGx% 1.0 1.8 4.78 1687 1476 A 69 GLU HG2 A 70 THR H 1.0 1.8 4.44 1688 1477 A 32 PHE HE% A 50 ARG HGx 1.0 1.8 4.46 1689 1477 A 32 PHE HE% A 50 ARG HGy 1.0 1.8 4.46 1690 1478 A 61 ARG HB3 A 61 ARG HE 1.0 1.8 4.83 1691 1479 A 50 ARG HD2 A 47 TYR H 1.0 1.8 5.00 1692 1480 A 18 ILE HD1% A 74 ALA H 1.0 1.8 5.62 1693 1481 A 86 VAL HGx% A 26 ASP H 1.0 1.8 5.88 1694 1482 A 5 LYS H A 5 LYS HBx 1.0 1.8 3.66 1695 1482 A 5 LYS HBy A 5 LYS H 1.0 1.8 3.66 1696 1483 A 40 LEU HB3 A 41 SER H 1.0 1.8 4.58 1697 1484 A 35 LYS H A 17 HIS HB3 1.0 1.8 5.36 1698 1485 A 35 LYS HGx A 16 ASP H 1.0 1.8 5.62 1699 1486 A 3 ASP H A 3 ASP HBy 1.0 1.8 3.63 1700 1487 A 26 ASP H A 26 ASP HBy 1.0 1.8 3.46 1701 1488 A 88 GLN HB3 A 89 GLN H 1.0 1.8 3.84 1702 1489 A 4 GLU H A 4 GLU HGx 1.0 1.8 4.08 1703 1489 A 4 GLU HGy A 4 GLU H 1.0 1.8 4.08 1704 1490 A 43 LEU HDy% A 44 MET H 1.0 1.8 4.38 1705 1491 A 12 THR H A 12 THR HG2% 1.0 1.8 3.84 1706 1492 A 49 GLU H A 49 GLU HB2 1.0 1.8 3.24 1707 1493 A 44 MET H A 44 MET HBx 1.0 1.8 3.40 1708 1493 A 44 MET HBy A 44 MET H 1.0 1.8 3.40 1709 1494 A 45 LYS H A 44 MET HBx 1.0 1.8 3.82 1710 1494 A 44 MET HBy A 45 LYS H 1.0 1.8 3.82 1711 1495 A 47 TYR HB2 A 48 CYS H 1.0 1.8 4.21 1712 1496 A 35 LYS H A 34 ILE HB 1.0 1.8 3.60 1713 1497 A 5 LYS H A 4 GLU HBx 1.0 1.8 4.40 1714 1498 A 41 SER H A 39 PRO HG2 1.0 1.8 4.70 1715 1499 A 43 LEU HDx% A 44 MET H 1.0 1.8 3.88 1716 1500 A 35 LYS H A 35 LYS HGy 1.0 1.8 4.39 1717 1501 A 16 ASP H A 35 LYS HDx 1.0 1.8 4.94 1718 1501 A 35 LYS HDy A 16 ASP H 1.0 1.8 4.94 1719 1502 A 40 LEU HG A 41 SER H 1.0 1.8 5.62 1720 1503 A 60 PHE HE% A 44 MET HA 1.0 1.8 3.46 1721 1504 A 58 ILE HB A 88 GLN HE2x 1.0 1.8 3.61 1722 1505 A 60 PHE HE% A 44 MET HBx 1.0 1.8 4.32 1723 1505 A 44 MET HBy A 60 PHE HE% 1.0 1.8 4.32 1724 1506 A 84 ILE HG2% A 60 PHE HE% 1.0 1.8 3.64 1725 1507 A 60 PHE HE% A 47 TYR HB3 1.0 1.8 4.21 1726 1508 A 86 VAL HGx% A 60 PHE HE% 1.0 1.8 3.75 1727 1509 A 58 ILE HD1% A 60 PHE HE% 1.0 1.8 3.31 1728 1510 A 51 GLN HE22 A 50 ARG HB2 1.0 1.8 5.40 1729 1511 A 23 ALA HB% A 86 VAL H 1.0 1.8 4.19 1730 1512 A 30 VAL HGy% A 50 ARG H 1.0 1.8 5.45 1731 1513 A 75 GLN H A 76 LEU HBy 1.0 1.8 6.00 1732 1514 A 75 GLN H A 76 LEU HG 1.0 1.8 6.00 1733 1515 A 35 LYS HGx A 37 HIS H 1.0 1.8 4.55 1734 1516 A 86 VAL H A 85 ASP HBx 1.0 1.8 3.55 1735 1516 A 85 ASP HBy A 86 VAL H 1.0 1.8 3.55 1736 1517 A 82 ASP H A 81 GLU HBy 1.0 1.8 5.42 1737 1518 A 51 GLN H A 51 GLN HB3 1.0 1.8 3.67 1738 1519 A 10 VAL HB A 10 VAL H 1.0 1.8 3.18 1739 1520 A 42 LYS H A 42 LYS HGy 1.0 1.8 3.64 1740 1521 A 75 GLN H A 75 GLN HBx 1.0 1.8 3.54 1741 1522 A 50 ARG H A 50 ARG HGx 1.0 1.8 3.17 1742 1522 A 50 ARG HGy A 50 ARG H 1.0 1.8 3.17 1743 1523 A 50 ARG H A 50 ARG HB2 1.0 1.8 3.97 1744 1524 A 34 ILE HD1% A 42 LYS H 1.0 1.8 4.72 1745 1525 A 65 GLN H A 65 GLN HG3 1.0 1.8 3.67 1746 1526 A 75 GLN H A 74 ALA HB% 1.0 1.8 3.38 1747 1527 A 2 ALA H A 1 MET HGy 1.0 1.8 4.71 1748 1528 A 50 ARG H A 49 GLU HB2 1.0 1.8 3.42 1749 1529 A 57 GLN H A 57 GLN HB3 1.0 1.8 3.58 1750 1530 A 51 GLN H A 50 ARG HB2 1.0 1.8 4.11 1751 1531 A 82 ASP H A 81 GLU HBx 1.0 1.8 4.15 1752 1532 A 36 ARG H A 36 ARG HB3 1.0 1.8 3.91 1753 1533 A 57 GLN H A 58 ILE HG13 1.0 1.8 5.92 1754 1534 A 78 MET HE% A 78 MET H 1.0 1.8 5.88 1755 1535 A 36 ARG H A 73 PRO HG2 1.0 1.8 4.86 1756 1536 A 37 HIS H A 36 ARG HB2 1.0 1.8 4.66 1757 1537 A 61 ARG HG2 A 65 GLN H 1.0 1.8 5.15 1758 1538 A 83 THR HG2% A 86 VAL H 1.0 1.8 5.56 1759 1539 A 81 GLU HG3 A 19 ASN HD22 1.0 1.8 4.51 1760 1540 A 53 LEU H A 51 GLN HGx 1.0 1.8 6.00 1761 1540 A 53 LEU H A 51 GLN HGy 1.0 1.8 6.00 1762 1541 A 19 ASN HD22 A 81 GLU HBy 1.0 1.8 6.00 1763 1542 A 71 ASP HB2 A 68 ASN HD22 1.0 1.8 5.25 1764 1543 A 81 GLU HG2 A 19 ASN HD22 1.0 1.8 5.42 1765 1544 A 90 GLN H A 89 GLN HGx 1.0 1.8 4.65 1766 1544 A 89 GLN HGy A 90 GLN H 1.0 1.8 4.65 1767 1545 A 21 LYS H A 84 ILE HB 1.0 1.8 5.85 1768 1546 A 23 ALA HB% A 24 GLY H 1.0 1.8 3.23 1769 1547 A 32 PHE HB3 A 33 LYS H 1.0 1.8 3.65 1770 1548 A 30 VAL HGy% A 31 GLN H 1.0 1.8 4.02 1771 1549 A 7 LYS H A 7 LYS HGx 1.0 1.8 3.52 1772 1549 A 7 LYS HGy A 7 LYS H 1.0 1.8 3.52 1773 1550 A 53 LEU HB3 A 54 SER H 1.0 1.8 3.73 1774 1551 A 59 ARG H A 58 ILE HB 1.0 1.8 3.25 1775 1552 A 88 GLN HB3 A 88 GLN H 1.0 1.8 3.53 1776 1553 A 13 GLU H A 13 GLU HGx 1.0 1.8 3.34 1777 1553 A 13 GLU HGy A 13 GLU H 1.0 1.8 3.34 1778 1554 A 9 GLY H A 8 GLU HBx 1.0 1.8 3.71 1779 1554 A 8 GLU HBy A 9 GLY H 1.0 1.8 3.71 1780 1555 A 8 GLU H A 6 PRO HB2 1.0 1.8 3.45 1781 1556 A 59 ARG H A 58 ILE HG13 1.0 1.8 3.93 1782 1557 A 83 THR H A 82 ASP HBy 1.0 1.8 4.01 1783 1558 A 15 ASN H A 14 ASN HBx 1.0 1.8 4.65 1784 1559 A 33 LYS HB2 A 33 LYS H 1.0 1.8 3.59 1785 1560 A 11 LYS H A 11 LYS HGx 1.0 1.8 3.50 1786 1560 A 11 LYS HGy A 11 LYS H 1.0 1.8 3.50 1787 1561 A 88 GLN H A 25 GLN HGx 1.0 1.8 4.38 1788 1561 A 25 GLN HGy A 88 GLN H 1.0 1.8 4.38 1789 1562 A 9 GLY H A 10 VAL HGx% 1.0 1.8 4.59 1790 1562 A 10 VAL HGy% A 9 GLY H 1.0 1.8 4.59 1791 1563 A 58 ILE HD1% A 54 SER H 1.0 1.8 5.11 1792 1564 A 60 PHE HB2 A 59 ARG H 1.0 1.8 6.00 1793 1565 A 34 ILE HG2% A 39 PRO HD2 1.0 1.8 5.77 1794 1566 A 49 GLU HA A 49 GLU HG3 1.0 1.8 3.70 1795 1567 A 77 GLU HA A 78 MET HB3 1.0 1.8 5.50 1796 1568 A 47 TYR HA A 51 GLN HGx 1.0 1.8 4.04 1797 1568 A 47 TYR HA A 51 GLN HGy 1.0 1.8 4.04 1798 1569 A 42 LYS HA A 42 LYS HGy 1.0 1.8 3.93 1799 1570 A 40 LEU HDy% A 73 PRO HDx 1.0 1.8 3.99 1800 1570 A 40 LEU HDy% A 73 PRO HDy 1.0 1.8 3.99 1801 1571 A 40 LEU HA A 40 LEU HDy% 1.0 1.8 3.07 1802 1572 A 40 LEU HB2 A 69 GLU HA 1.0 1.8 3.95 1803 1573 A 45 LYS HA A 44 MET HBx 1.0 1.8 4.48 1804 1573 A 44 MET HBy A 45 LYS HA 1.0 1.8 4.48 1805 1574 A 35 LYS HGy A 38 THR HB 1.0 1.8 5.12 1806 1575 A 44 MET HE% A 69 GLU HA 1.0 1.8 3.01 1807 1576 A 69 GLU HB3 A 69 GLU HA 1.0 1.8 2.98 1808 1577 A 34 ILE HD1% A 38 THR HB 1.0 1.8 3.81 1809 1578 A 69 GLU HG3 A 69 GLU HA 1.0 1.8 3.75 1810 1579 A 41 SER HA A 44 MET HBx 1.0 1.8 3.36 1811 1579 A 44 MET HBy A 41 SER HA 1.0 1.8 3.36 1812 1580 A 51 GLN HB2 A 48 CYS HA 1.0 1.8 3.49 1813 1581 A 40 LEU HA A 34 ILE HD1% 1.0 1.8 3.49 1814 1582 A 74 ALA HB% A 75 GLN HA 1.0 1.8 4.06 1815 1583 A 30 VAL HGx% A 47 TYR HA 1.0 1.8 4.37 1816 1584 A 34 ILE HG2% A 38 THR HB 1.0 1.8 4.80 1817 1585 A 24 GLY HA3 A 86 VAL HGx% 1.0 1.8 4.09 1818 1586 A 72 THR HG2% A 39 PRO HD3 1.0 1.8 4.24 1819 1587 A 54 SER HB3 A 57 GLN HG2 1.0 1.8 5.09 1820 1588 A 91 THR HG2% A 92 GLY HAx 1.0 1.8 5.61 1821 1588 A 91 THR HG2% A 92 GLY HAy 1.0 1.8 5.61 1822 1589 A 9 GLY HAy A 11 LYS HEx 1.0 1.8 4.71 1823 1589 A 9 GLY HAx A 11 LYS HEx 1.0 1.8 4.71 1824 1589 A 11 LYS HEy A 9 GLY HAx 1.0 1.8 4.71 1825 1589 A 9 GLY HAy A 11 LYS HEy 1.0 1.8 4.71 1826 1590 A 44 MET HA A 45 LYS HA 1.0 1.8 4.97 1827 1591 A 54 SER HB3 A 56 ARG HDx 1.0 1.8 4.92 1828 1591 A 56 ARG HDy A 54 SER HB3 1.0 1.8 4.92 1829 1592 A 21 LYS HE3 A 83 THR HB 1.0 1.8 5.17 1830 1593 A 43 LEU HDy% A 47 TYR HB2 1.0 1.8 6.00 1831 1594 A 51 GLN H A 48 CYS HBy 1.0 1.8 5.97 1832 1595 A 51 GLN H A 50 ARG HD3 1.0 1.8 6.00 1833 1596 A 7 LYS HA A 7 LYS HEx 1.0 1.8 5.37 1834 1596 A 7 LYS HA A 7 LYS HEy 1.0 1.8 5.37 1835 1597 A 78 MET HA A 82 ASP HBy 1.0 1.8 6.00 1836 1598 A 47 TYR HB3 A 46 ALA HA 1.0 1.8 5.92 1837 1599 A 18 ILE H A 17 HIS HB3 1.0 1.8 4.37 1838 1600 A 85 ASP H A 62 PHE HB2 1.0 1.8 4.87 1839 1601 A 69 GLU HB2 A 69 GLU H 1.0 1.8 3.95 1840 1602 A 34 ILE H A 34 ILE HG13 1.0 1.8 4.16 1841 1603 A 61 ARG HG2 A 62 PHE H 1.0 1.8 4.25 1842 1604 A 40 LEU H A 40 LEU HB3 1.0 1.8 4.04 1843 1605 A 32 PHE H A 31 GLN HB2 1.0 1.8 4.15 1844 1606 A 40 LEU H A 40 LEU HG 1.0 1.8 3.92 1845 1607 A 40 LEU H A 40 LEU HB2 1.0 1.8 4.03 1846 1608 A 20 LEU H A 20 LEU HDy% 1.0 1.8 4.19 1847 1609 A 58 ILE HG12 A 55 MET H 1.0 1.8 4.78 1848 1610 A 40 LEU H A 39 PRO HG2 1.0 1.8 4.95 1849 1611 A 60 PHE H A 59 ARG HBx 1.0 1.8 4.84 1850 1612 A 67 ILE HG13 A 60 PHE H 1.0 1.8 5.17 1851 1613 A 62 PHE H A 65 GLN HG3 1.0 1.8 4.51 1852 1614 A 70 THR HG2% A 69 GLU H 1.0 1.8 4.67 1853 1615 A 67 ILE HG12 A 60 PHE H 1.0 1.8 5.20 1854 1616 A 43 LEU HDy% A 34 ILE H 1.0 1.8 5.18 1855 1617 A 47 TYR HB3 A 46 ALA H 1.0 1.8 4.81 1856 1618 A 17 HIS H A 17 HIS HB2 1.0 1.8 4.05 1857 1619 A 17 HIS HB3 A 17 HIS H 1.0 1.8 3.79 1858 1620 A 32 PHE HB3 A 19 ASN HA 1.0 1.8 6.00 1859 1621 A 60 PHE HB2 A 86 VAL HGx% 1.0 1.8 5.55 1860 1622 A 31 GLN HA A 32 PHE HB2 1.0 1.8 5.49 1861 1623 A 61 ARG HA A 85 ASP HBx 1.0 1.8 6.00 1862 1623 A 85 ASP HBy A 61 ARG HA 1.0 1.8 6.00 1863 1624 A 31 GLN HA A 32 PHE HB3 1.0 1.8 6.00 1864 1625 A 17 HIS HB2 A 17 HIS HD2 1.0 1.8 3.60 1865 1626 A 19 ASN HB3 A 17 HIS HD2 1.0 1.8 5.82 1866 1627 A 67 ILE HA A 71 ASP HB2 1.0 1.8 5.15 1867 1628 A 67 ILE HA A 62 PHE HB3 1.0 1.8 5.80 1868 1629 A 60 PHE HB2 A 44 MET HA 1.0 1.8 6.00 1869 1630 A 63 ASP HA A 62 PHE HB3 1.0 1.8 5.81 1870 1631 A 15 ASN HA A 17 HIS HB3 1.0 1.8 6.00 1871 1632 A 25 GLN HA A 25 GLN HGx 1.0 1.8 3.49 1872 1632 A 25 GLN HGy A 25 GLN HA 1.0 1.8 3.49 1873 1633 A 69 GLU HG3 A 70 THR HA 1.0 1.8 3.68 1874 1634 A 68 ASN HB2 A 70 THR HA 1.0 1.8 5.02 1875 1635 A 30 VAL HA A 21 LYS HG3 1.0 1.8 4.58 1876 1636 A 73 PRO HA A 76 LEU HDx% 1.0 1.8 4.13 1877 1637 A 55 MET HA A 58 ILE HG13 1.0 1.8 4.33 1878 1638 A 76 LEU HA A 75 GLN HGx 1.0 1.8 5.27 1879 1638 A 76 LEU HA A 75 GLN HGy 1.0 1.8 5.27 1880 1639 A 12 THR HA A 10 VAL HGx% 1.0 1.8 5.70 1881 1639 A 10 VAL HGy% A 12 THR HA 1.0 1.8 5.70 1882 1640 A 45 LYS HA A 55 MET HGx 1.0 1.8 4.49 1883 1640 A 55 MET HGy A 45 LYS HA 1.0 1.8 4.49 1884 1641 A 87 PHE HE% A 61 ARG HD2 1.0 1.8 3.59 1885 1642 A 87 PHE HE% A 85 ASP HBx 1.0 1.8 3.25 1886 1642 A 85 ASP HBy A 87 PHE HE% 1.0 1.8 3.25 1887 1643 A 63 ASP HB2 A 65 GLN HE21 1.0 1.8 4.59 1888 1644 A 47 TYR HB3 A 30 VAL HB 1.0 1.8 5.91 1889 1645 A 55 MET HE% A 47 TYR HB3 1.0 1.8 6.00 1890 1646 A 83 THR HG2% A 21 LYS HE3 1.0 1.8 4.38 1891 1647 A 43 LEU HDy% A 32 PHE HB3 1.0 1.8 3.75 1892 1648 A 86 VAL HGx% A 87 PHE HB2 1.0 1.8 5.36 1893 1649 A 61 ARG HB3 A 61 ARG HD2 1.0 1.8 3.80 1894 1650 A 61 ARG HD3 A 61 ARG HB3 1.0 1.8 4.10 1895 1651 A 67 ILE HD1% A 62 PHE HB2 1.0 1.8 3.64 1896 1652 A 33 LYS HG3 A 33 LYS HEx 1.0 1.8 3.80 1897 1652 A 33 LYS HG3 A 33 LYS HEy 1.0 1.8 3.80 1898 1653 A 21 LYS HB3 A 21 LYS HE3 1.0 1.8 3.58 1899 1654 A 61 ARG HB2 A 61 ARG HD2 1.0 1.8 3.66 1900 1655 A 21 LYS HG2 A 21 LYS HE2 1.0 1.8 4.04 1901 1656 A 21 LYS HB3 A 21 LYS HE2 1.0 1.8 3.80 1902 1657 A 67 ILE HD1% A 62 PHE HB3 1.0 1.8 3.98 1903 1658 A 35 LYS HGy A 17 HIS HB3 1.0 1.8 4.24 1904 1659 A 33 LYS HB2 A 33 LYS HEx 1.0 1.8 3.85 1905 1659 A 33 LYS HB2 A 33 LYS HEy 1.0 1.8 3.85 1906 1660 A 60 PHE HB2 A 67 ILE HG13 1.0 1.8 3.92 1907 1661 A 84 ILE HG2% A 62 PHE HB2 1.0 1.8 4.34 1908 1662 A 22 VAL HB A 47 TYR HB3 1.0 1.8 4.86 1909 1663 A 45 LYS HBx A 55 MET HGx 1.0 1.8 4.86 1910 1663 A 45 LYS HBy A 55 MET HGx 1.0 1.8 4.86 1911 1663 A 55 MET HGy A 45 LYS HBx 1.0 1.8 4.86 1912 1663 A 45 LYS HBy A 55 MET HGy 1.0 1.8 4.86 1913 1664 A 55 MET HB3 A 45 LYS HDx 1.0 1.8 5.14 1914 1664 A 45 LYS HDy A 55 MET HB3 1.0 1.8 5.14 1915 1665 A 55 MET HB3 A 56 ARG HGx 1.0 1.8 5.44 1916 1665 A 55 MET HB3 A 56 ARG HGy 1.0 1.8 5.44 1917 1666 A 55 MET HB3 A 45 LYS HBx 1.0 1.8 6.00 1918 1666 A 45 LYS HBy A 55 MET HB3 1.0 1.8 6.00 1919 1667 A 43 LEU HDy% A 47 TYR HB3 1.0 1.8 6.00 1920 1668 A 57 GLN HB2 A 57 GLN HE21 1.0 1.8 4.11 1921 1669 A 57 GLN HB3 A 57 GLN HE21 1.0 1.8 4.89 1922 1670 A 63 ASP HB3 A 65 GLN HE21 1.0 1.8 5.82 1923 1671 A 43 LEU HA A 32 PHE HB2 1.0 1.8 5.56 1924 1672 A 71 ASP HB3 A 72 THR H 1.0 1.8 4.96 1925 1673 A 76 LEU H A 75 GLN HGx 1.0 1.8 5.45 1926 1673 A 76 LEU H A 75 GLN HGy 1.0 1.8 5.45 1927 1674 A 72 THR H A 75 GLN HBx 1.0 1.8 3.58 1928 1675 A 76 LEU H A 75 GLN HBy 1.0 1.8 3.74 1929 1676 A 38 THR H A 35 LYS HDx 1.0 1.8 3.74 1930 1676 A 35 LYS HDy A 38 THR H 1.0 1.8 3.74 1931 1677 A 64 GLY HA2 A 65 GLN HG3 1.0 1.8 6.00 1932 1678 A 57 GLN HG3 A 56 ARG HDx 1.0 1.8 6.00 1933 1678 A 57 GLN HG3 A 56 ARG HDy 1.0 1.8 6.00 1934 1679 A 46 ALA HB% A 43 LEU HA 1.0 1.8 3.26 1935 1680 A 47 TYR HB2 A 30 VAL HB 1.0 1.8 4.81 1936 1681 A 50 ARG HD2 A 50 ARG HB2 1.0 1.8 4.03 1937 1682 A 44 MET HA A 44 MET HGy 1.0 1.8 3.60 1938 1683 A 50 ARG HD3 A 50 ARG HB2 1.0 1.8 3.69 1939 1684 A 47 TYR HB2 A 50 ARG HGx 1.0 1.8 4.59 1940 1684 A 47 TYR HB2 A 50 ARG HGy 1.0 1.8 4.59 1941 1685 A 23 ALA HA A 83 THR HG2% 1.0 1.8 4.83 1942 1686 A 62 PHE HA A 61 ARG HG3 1.0 1.8 5.13 1943 1687 A 31 GLN HA A 21 LYS HG3 1.0 1.8 5.08 1944 1688 A 60 PHE HA A 59 ARG HGy 1.0 1.8 5.27 1945 1689 A 62 PHE HA A 61 ARG HB3 1.0 1.8 5.38 1946 1690 A 86 VAL HGy% A 23 ALA HA 1.0 1.8 5.80 1947 1691 A 31 GLN HG3 A 19 ASN HA 1.0 1.8 6.00 1948 1692 A 38 THR HA A 39 PRO HG3 1.0 1.8 5.54 1949 1693 A 80 ASP HA A 81 GLU HG3 1.0 1.8 6.00 1950 1694 A 50 ARG HB3 A 51 GLN HE21 1.0 1.8 4.70 1951 1695 A 51 GLN HB3 A 51 GLN HE21 1.0 1.8 5.03 1952 1696 A 5 LYS HA A 5 LYS HDx 1.0 1.8 4.50 1953 1696 A 5 LYS HDy A 5 LYS HA 1.0 1.8 4.50 1954 1697 A 21 LYS HB2 A 31 GLN HE21 1.0 1.8 5.83 1955 1698 A 43 LEU HDy% A 34 ILE HB 1.0 1.8 4.82 1956 1699 A 43 LEU HDy% A 84 ILE HG13 1.0 1.8 5.51 1957 1700 A 43 LEU HDy% A 42 LYS HB3 1.0 1.8 5.69 1958 1701 A 49 GLU HG3 A 50 ARG HGx 1.0 1.8 6.00 1959 1701 A 50 ARG HGy A 49 GLU HG3 1.0 1.8 6.00 1960 1702 A 56 ARG HB2 A 57 GLN HG2 1.0 1.8 6.00 1961 1703 A 17 HIS HD2 A 33 LYS HDx 1.0 1.8 4.04 1962 1703 A 33 LYS HDy A 17 HIS HD2 1.0 1.8 4.04 1963 1704 A 17 HIS HD2 A 33 LYS HG2 1.0 1.8 3.36 1964 1705 A 47 TYR HE% A 51 GLN HB2 1.0 1.8 4.52 1965 1706 A 47 TYR HE% A 53 LEU HB2 1.0 1.8 4.94 1966 1707 A 47 TYR HE% A 53 LEU HG 1.0 1.8 5.11 1967 1708 A 47 TYR HE% A 51 GLN HGx 1.0 1.8 3.69 1968 1708 A 47 TYR HE% A 51 GLN HGy 1.0 1.8 3.69 1969 1709 A 4 GLU H A 5 LYS HBx 1.0 1.8 5.78 1970 1709 A 5 LYS HBy A 4 GLU H 1.0 1.8 5.78 1971 1710 A 4 GLU H A 5 LYS HDx 1.0 1.8 6.00 1972 1710 A 5 LYS HDy A 4 GLU H 1.0 1.8 6.00 1973 1711 A 71 ASP HB3 A 40 LEU HG 1.0 1.8 4.92 1974 1712 A 47 TYR H A 51 GLN HGx 1.0 1.8 6.00 1975 1712 A 47 TYR H A 51 GLN HGy 1.0 1.8 6.00 1976 1713 A 18 ILE HB A 19 ASN HA 1.0 1.8 4.67 1977 1714 A 65 GLN HE22 A 76 LEU HBx 1.0 1.8 5.23 1978 1715 A 43 LEU HB3 A 32 PHE HB2 1.0 1.8 3.82 1979 1716 A 83 THR HG2% A 85 ASP HBx 1.0 1.8 5.45 1980 1716 A 85 ASP HBy A 83 THR HG2% 1.0 1.8 5.45 1981 1717 A 33 LYS HG3 A 19 ASN HB3 1.0 1.8 4.36 1982 1718 A 19 ASN HB3 A 33 LYS HG2 1.0 1.8 4.86 1983 1719 A 33 LYS HB2 A 19 ASN HB3 1.0 1.8 5.09 1984 1720 A 61 ARG HB2 A 85 ASP HBx 1.0 1.8 5.53 1985 1720 A 85 ASP HBy A 61 ARG HB2 1.0 1.8 5.53 1986 1721 A 44 MET HE% A 70 THR HA 1.0 1.8 6.00 1987 1722 A 86 VAL HGy% A 23 ALA HB% 1.0 1.8 4.81 1988 1723 A 51 GLN HE21 A 51 GLN HB2 1.0 1.8 4.63 1989 1724 A 91 THR HG2% A 91 THR H 1.0 1.8 4.18 1990 1725 A 34 ILE HD1% A 38 THR H 1.0 1.8 4.54 1991 1726 A 18 ILE HD1% A 36 ARG HA 1.0 1.8 4.11 1992 1727 A 30 VAL HGy% A 50 ARG HD2 1.0 1.8 4.13 1993 1728 A 30 VAL HGy% A 50 ARG HD3 1.0 1.8 4.33 1994 1729 A 71 ASP HB3 A 67 ILE HG2% 1.0 1.8 4.09 1995 1730 A 74 ALA HB% A 77 GLU H 1.0 1.8 4.74 1996 1731 A 72 THR HG2% A 71 ASP H 1.0 1.8 4.84 1997 1732 A 30 VAL HGy% A 51 GLN HE22 1.0 1.8 4.03 1998 1733 A 72 THR HG2% A 75 GLN HE2x 1.0 1.8 4.45 1999 1734 A 30 VAL HGy% A 51 GLN HE21 1.0 1.8 3.98 2000 1735 A 47 TYR HE% A 30 VAL HGy% 1.0 1.8 3.10 2001 1736 A 30 VAL HGy% A 47 TYR HB3 1.0 1.8 5.60 2002 1737 A 30 VAL HGy% A 47 TYR HB2 1.0 1.8 5.46 2003 1738 A 36 ARG H A 74 ALA HB% 1.0 1.8 5.60 2004 1739 A 72 THR HG2% A 70 THR HA 1.0 1.8 5.08 2005 1740 A 84 ILE HG2% A 22 VAL H 1.0 1.8 6.00 2006 1741 A 84 ILE HG2% A 61 ARG HA 1.0 1.8 5.01 2007 1742 A 18 ILE HD1% A 80 ASP HBx 1.0 1.8 4.30 2008 1742 A 18 ILE HD1% A 80 ASP HBy 1.0 1.8 4.30 2009 1743 A 67 ILE HG2% A 65 GLN HE21 1.0 1.8 3.99 2010 1744 A 47 TYR HE% A 58 ILE HD1% 1.0 1.8 3.39 2011 1745 A 30 VAL HGx% A 50 ARG HD3 1.0 1.8 3.88 2012 1746 A 30 VAL HGx% A 50 ARG HD2 1.0 1.8 3.88 2013 1747 A 34 ILE HG2% A 32 PHE HB2 1.0 1.8 3.96 2014 1748 A 32 PHE HB2 A 43 LEU HG 1.0 1.8 5.46 2015 1749 A 44 MET HA A 43 LEU HG 1.0 1.8 4.74 2016 1750 A 22 VAL HGy% A 47 TYR HB2 1.0 1.8 4.68 2017 1751 A 67 ILE HD1% A 65 GLN HE21 1.0 1.8 5.38 2018 1752 A 58 ILE HG2% A 57 GLN HG2 1.0 1.8 5.73 2019 1753 A 67 ILE HD1% A 71 ASP HB3 1.0 1.8 6.00 2020 1754 A 40 LEU HDx% A 67 ILE HA 1.0 1.8 5.20 2021 1755 A 18 ILE HD1% A 82 ASP H 1.0 1.8 4.97 2022 1756 A 86 VAL HGx% A 25 GLN HA 1.0 1.8 6.00 2023 1757 A 18 ILE HD1% A 74 ALA HA 1.0 1.8 5.38 2024 1758 A 86 VAL HGx% A 85 ASP HBx 1.0 1.8 5.69 2025 1758 A 85 ASP HBy A 86 VAL HGx% 1.0 1.8 5.69 2026 1759 A 43 LEU HDy% A 32 PHE HB2 1.0 1.8 3.71 2027 1760 A 59 ARG H A 86 VAL HGx% 1.0 1.8 3.96 2028 1761 A 47 TYR HE% A 86 VAL HGx% 1.0 1.8 3.48 2029 1762 A 18 ILE HD1% A 19 ASN HA 1.0 1.8 5.74 2030 1763 A 43 LEU HDx% A 44 MET HA 1.0 1.8 3.44 2031 1764 A 44 MET HA A 44 MET HGx 1.0 1.8 3.60 2032 1765 A 22 VAL HGx% A 60 PHE HE% 1.0 1.8 3.32 2033 1766 A 86 VAL HGy% A 60 PHE HE% 1.0 1.8 3.40 2034 1767 A 43 LEU HDx% A 43 LEU HA 1.0 1.8 3.67 2035 1768 A 47 TYR HE% A 22 VAL HGx% 1.0 1.8 3.45 2036 1769 A 78 MET HE% A 43 LEU HDx% 1.0 1.8 5.66 2037 1770 A 43 LEU HDx% A 32 PHE H 1.0 1.8 6.00 2038 1771 A 22 VAL HGx% A 83 THR HA 1.0 1.8 5.92 2039 1772 A 38 THR HA A 39 PRO HD2 1.0 1.8 3.41 2040 1773 A 70 THR HA A 68 ASN HD21 1.0 1.8 6.00 2041 1774 A 24 GLY HA3 A 25 GLN HE22 1.0 1.8 4.69 2042 1775 A 56 ARG HB2 A 57 GLN HB2 1.0 1.8 4.93 2043 1776 A 56 ARG HB2 A 57 GLN HG3 1.0 1.8 5.28 2044 1777 A 86 VAL HGy% A 83 THR HG2% 1.0 1.8 5.61 2045 1778 A 86 VAL HGy% A 58 ILE HG12 1.0 1.8 6.00 2046 1779 A 86 VAL HGy% A 58 ILE HG13 1.0 1.8 5.67 2047 1780 A 43 LEU HDy% A 40 LEU HB3 1.0 1.8 4.86 2048 1781 A 43 LEU HDx% A 40 LEU HB3 1.0 1.8 5.05 2049 1782 A 36 ARG HA A 73 PRO HG2 1.0 1.8 3.92 2050 1783 A 20 LEU HA A 78 MET HG2 1.0 1.8 5.05 2051 1784 A 43 LEU HA A 44 MET HBx 1.0 1.8 5.23 2052 1784 A 44 MET HBy A 43 LEU HA 1.0 1.8 5.23 2053 1785 A 33 LYS HG3 A 19 ASN HA 1.0 1.8 4.52 2054 1786 A 20 LEU HB2 A 19 ASN HA 1.0 1.8 5.18 2055 1787 A 20 LEU HG A 19 ASN HA 1.0 1.8 5.99 2056 1788 A 19 ASN HA A 33 LYS HDx 1.0 1.8 5.66 2057 1788 A 33 LYS HDy A 19 ASN HA 1.0 1.8 5.66 2058 1789 A 33 LYS HG3 A 33 LYS HA 1.0 1.8 3.77 2059 1790 A 57 GLN HA A 57 GLN HG2 1.0 1.8 3.62 2060 1791 A 46 ALA HB% A 47 TYR HA 1.0 1.8 3.91 2061 1792 A 38 THR HA A 38 THR HG2% 1.0 1.8 3.14 2062 1793 A 69 GLU HA A 44 MET HBx 1.0 1.8 4.39 2063 1793 A 44 MET HBy A 69 GLU HA 1.0 1.8 4.39 2064 1794 A 42 LYS HA A 42 LYS HDx 1.0 1.8 3.60 2065 1794 A 42 LYS HDy A 42 LYS HA 1.0 1.8 3.60 2066 1795 A 45 LYS HA A 45 LYS HDx 1.0 1.8 3.92 2067 1795 A 45 LYS HDy A 45 LYS HA 1.0 1.8 3.92 2068 1796 A 33 LYS HA A 34 ILE HG12 1.0 1.8 4.32 2069 1797 A 34 ILE HB A 38 THR HB 1.0 1.8 3.61 2070 1798 A 5 LYS HA A 5 LYS HGx 1.0 1.8 3.77 2071 1798 A 5 LYS HGy A 5 LYS HA 1.0 1.8 3.77 2072 1799 A 69 GLU HG2 A 70 THR HB 1.0 1.8 4.22 2073 1800 A 56 ARG HA A 56 ARG HGx 1.0 1.8 3.12 2074 1800 A 56 ARG HGy A 56 ARG HA 1.0 1.8 3.12 2075 1801 A 57 GLN HB2 A 54 SER HB2 1.0 1.8 3.28 2076 1802 A 33 LYS HB2 A 19 ASN HA 1.0 1.8 5.54 2077 1803 A 57 GLN HG3 A 57 GLN HA 1.0 1.8 3.44 2078 1804 A 53 LEU HB2 A 48 CYS HA 1.0 1.8 3.21 2079 1805 A 77 GLU HA A 77 GLU HGx 1.0 1.8 3.61 2080 1805 A 77 GLU HA A 77 GLU HGy 1.0 1.8 3.61 2081 1806 A 38 THR HG2% A 39 PRO HD2 1.0 1.8 3.14 2082 1807 A 46 ALA HA A 49 GLU HB2 1.0 1.8 3.65 2083 1808 A 78 MET HA A 78 MET HG3 1.0 1.8 3.85 2084 1809 A 78 MET HB2 A 73 PRO HA 1.0 1.8 3.51 2085 1810 A 57 GLN HB2 A 54 SER HB3 1.0 1.8 3.49 2086 1811 A 40 LEU HG A 73 PRO HDx 1.0 1.8 3.96 2087 1811 A 73 PRO HDy A 40 LEU HG 1.0 1.8 3.96 2088 1812 A 38 THR HA A 39 PRO HG2 1.0 1.8 4.41 2089 1813 A 57 GLN HA A 56 ARG HB3 1.0 1.8 4.84 2090 1814 A 38 THR HB A 34 ILE HG13 1.0 1.8 4.31 2091 1815 A 35 LYS HA A 35 LYS HDx 1.0 1.8 4.08 2092 1815 A 35 LYS HDy A 35 LYS HA 1.0 1.8 4.08 2093 1816 A 38 THR HG2% A 39 PRO HA 1.0 1.8 4.01 2094 1817 A 21 LYS HA A 21 LYS HDx 1.0 1.8 4.04 2095 1817 A 21 LYS HDy A 21 LYS HA 1.0 1.8 4.04 2096 1818 A 83 THR HA A 84 ILE HG13 1.0 1.8 5.17 2097 1819 A 57 GLN HB3 A 54 SER HB3 1.0 1.8 4.74 2098 1820 A 33 LYS HB3 A 19 ASN HA 1.0 1.8 4.76 2099 1821 A 74 ALA HA A 36 ARG HB2 1.0 1.8 6.00 2100 1822 A 74 ALA HA A 78 MET HB3 1.0 1.8 6.00 2101 1823 A 19 ASN HA A 33 LYS HG2 1.0 1.8 4.22 2102 1824 A 33 LYS HA A 33 LYS HG2 1.0 1.8 3.72 2103 1825 A 60 PHE HA A 61 ARG HB3 1.0 1.8 4.48 2104 1826 A 67 ILE HB A 61 ARG HA 1.0 1.8 5.29 2105 1827 A 60 PHE HD% A 59 ARG HA 1.0 1.8 3.55 2106 1828 A 35 LYS HGy A 35 LYS HA 1.0 1.8 2.85 2107 1829 A 75 GLN HA A 75 GLN HGx 1.0 1.8 3.09 2108 1829 A 75 GLN HGy A 75 GLN HA 1.0 1.8 3.09 2109 1830 A 78 MET HA A 78 MET HG2 1.0 1.8 3.67 2110 1831 A 73 PRO HB2 A 36 ARG HA 1.0 1.8 4.34 2111 1832 A 64 GLY HA2 A 61 ARG HD2 1.0 1.8 4.83 2112 1833 A 61 ARG HD3 A 64 GLY HA2 1.0 1.8 4.54 2113 1834 A 44 MET HE% A 69 GLU HG2 1.0 1.8 5.55 2114 1835 A 59 ARG HGx A 89 GLN HGx 1.0 1.8 5.92 2115 1835 A 89 GLN HGy A 59 ARG HGx 1.0 1.8 5.92 2116 1836 A 58 ILE HG2% A 57 GLN HB3 1.0 1.8 4.41 2117 1837 A 21 LYS H A 82 ASP H 1.0 1.8 4.44 2118 1838 A 92 GLY H A 93 GLY H 1.0 1.8 4.48 2119 1839 A 42 LYS H A 44 MET H 1.0 1.8 4.39 2120 1840 A 18 ILE HD1% A 73 PRO HB3 1.0 1.8 4.03 2121 1841 A 84 ILE HG2% A 22 VAL HGx% 1.0 1.8 3.58 2122 1842 A 72 THR HA A 73 PRO HDx 1.0 1.8 3.83 2123 1842 A 72 THR HA A 73 PRO HDy 1.0 1.8 3.83 2124 1843 A 29 VAL HA A 28 SER HA 1.0 1.8 4.79 2125 1844 A 29 VAL HA A 30 VAL HA 1.0 1.8 5.15 2126 1845 A 31 GLN HA A 30 VAL HA 1.0 1.8 4.51 2127 1846 A 24 GLY HA3 A 23 ALA HA 1.0 1.8 4.47 2128 1847 A 58 ILE HD1% A 44 MET HA 1.0 1.8 5.01 2129 1848 A 67 ILE HG2% A 62 PHE HB3 1.0 1.8 3.41 2130 1849 A 84 ILE HG2% A 60 PHE HB3 1.0 1.8 3.67 2131 1850 A 84 ILE HG2% A 85 ASP HBx 1.0 1.8 4.24 2132 1850 A 84 ILE HG2% A 85 ASP HBy 1.0 1.8 4.24 2133 1851 A 73 PRO HG3 A 18 ILE HD1% 1.0 1.8 4.26 2134 1852 A 73 PRO HG3 A 40 LEU HDy% 1.0 1.8 3.87 2135 1853 A 22 VAL HB A 30 VAL HGy% 1.0 1.8 5.10 2136 1854 A 30 VAL HGy% A 50 ARG HB3 1.0 1.8 5.80 2137 1855 A 30 VAL HGy% A 51 GLN HB3 1.0 1.8 5.77 2138 1856 A 78 MET HG3 A 76 LEU HDx% 1.0 1.8 4.02 2139 1857 A 58 ILE HG2% A 88 GLN HB2 1.0 1.8 4.39 2140 1858 A 22 VAL HGx% A 86 VAL HGx% 1.0 1.8 3.82 2141 1859 A 33 LYS HA A 19 ASN HA 1.0 1.8 3.84 2142 1860 A 47 TYR HB2 A 43 LEU HB2 1.0 1.8 4.43 2143 1861 A 33 LYS HG2 A 33 LYS HEx 1.0 1.8 3.62 2144 1861 A 33 LYS HEy A 33 LYS HG2 1.0 1.8 3.62 2145 1862 A 78 MET HE% A 62 PHE HB3 1.0 1.8 3.51 2146 1863 A 21 LYS HG3 A 21 LYS HE2 1.0 1.8 4.06 2147 1864 A 40 LEU HDx% A 71 ASP HB2 1.0 1.8 4.38 2148 1865 A 60 PHE HB3 A 67 ILE HG12 1.0 1.8 3.82 2149 1866 A 23 ALA HB% A 83 THR HG2% 1.0 1.8 2.71 2150 1867 A 30 VAL HGy% A 50 ARG HGx 1.0 1.8 3.67 2151 1867 A 30 VAL HGy% A 50 ARG HGy 1.0 1.8 3.67 2152 1868 A 74 ALA HB% A 73 PRO HG2 1.0 1.8 3.79 2153 1869 A 38 THR HG2% A 39 PRO HG2 1.0 1.8 3.27 2154 1870 A 21 LYS HG3 A 31 GLN HG2 1.0 1.8 4.62 2155 1871 A 43 LEU HDx% A 84 ILE HD1% 1.0 1.8 3.30 2156 1872 A 43 LEU HDx% A 22 VAL HGy% 1.0 1.8 3.18 2157 1873 A 22 VAL HGx% A 84 ILE HD1% 1.0 1.8 4.17 2158 1874 A 6 PRO HD3 A 5 LYS HA 1.0 1.8 3.88 2159 1875 A 60 PHE HB2 A 44 MET HE% 1.0 1.8 3.27 2160 1876 A 11 LYS HEy A 11 LYS HGx 1.0 1.8 3.48 2161 1876 A 11 LYS HGy A 11 LYS HEx 1.0 1.8 3.48 2162 1876 A 11 LYS HGy A 11 LYS HEy 1.0 1.8 3.48 2163 1876 A 11 LYS HEx A 11 LYS HGx 1.0 1.8 3.48 2164 1877 A 19 ASN HB3 A 33 LYS HDx 1.0 1.8 4.01 2165 1877 A 33 LYS HDy A 19 ASN HB3 1.0 1.8 4.01 2166 1878 A 32 PHE HB2 A 43 LEU HB2 1.0 1.8 4.27 2167 1879 A 78 MET HG3 A 76 LEU HDy% 1.0 1.8 4.02 2168 1880 A 67 ILE HD1% A 67 ILE HB 1.0 1.8 3.35 2169 1881 A 78 MET HE% A 40 LEU HDx% 1.0 1.8 3.52 2170 1882 A 40 LEU HDx% A 40 LEU HB2 1.0 1.8 3.46 2171 1883 A 84 ILE HG2% A 84 ILE HD1% 1.0 1.8 3.28 2172 1884 A 74 ALA HB% A 36 ARG HGx 1.0 1.8 3.48 2173 1885 A 84 ILE HD1% A 84 ILE HB 1.0 1.8 3.34 2174 1886 A 18 ILE HD1% A 78 MET HB3 1.0 1.8 3.62 2175 1887 A 43 LEU HB3 A 43 LEU HDy% 1.0 1.8 3.97 2176 1888 A 18 ILE HD1% A 20 LEU HDx% 1.0 1.8 2.94 2177 1889 A 61 ARG HG2 A 61 ARG HA 1.0 1.8 3.91 2178 1890 A 21 LYS HB3 A 83 THR HA 1.0 1.8 4.10 2179 1891 A 21 LYS HG2 A 83 THR HA 1.0 1.8 4.20 2180 1892 A 67 ILE HG12 A 61 ARG HA 1.0 1.8 3.69 2181 1893 A 81 GLU HA A 20 LEU HA 1.0 1.8 4.60 2182 1894 A 20 LEU HG A 20 LEU HA 1.0 1.8 4.18 2183 1895 A 20 LEU HA A 20 LEU HDx% 1.0 1.8 3.94 2184 1896 A 72 THR HA A 39 PRO HB3 1.0 1.8 4.89 2185 1897 A 72 THR HA A 40 LEU HG 1.0 1.8 4.21 2186 1898 A 69 GLU HA A 68 ASN HA 1.0 1.8 4.36 2187 1899 A 44 MET HE% A 68 ASN HA 1.0 1.8 3.57 2188 1900 A 29 VAL HA A 28 SER HB3 1.0 1.8 4.38 2189 1901 A 58 ILE HG12 A 58 ILE HA 1.0 1.8 4.14 2190 1902 A 29 VAL HA A 30 VAL HGy% 1.0 1.8 3.77 2191 1903 A 58 ILE HD1% A 58 ILE HA 1.0 1.8 4.23 2192 1904 A 58 ILE HG2% A 58 ILE HA 1.0 1.8 3.35 2193 1905 A 65 GLN HA A 66 PRO HD3 1.0 1.8 3.27 2194 1906 A 65 GLN HA A 65 GLN HG3 1.0 1.8 3.77 2195 1907 A 22 VAL HA A 84 ILE HB 1.0 1.8 3.88 2196 1908 A 65 GLN HA A 61 ARG HG3 1.0 1.8 4.71 2197 1909 A 21 LYS HG3 A 21 LYS HA 1.0 1.8 3.92 2198 1910 A 21 LYS HG2 A 21 LYS HA 1.0 1.8 3.90 2199 1911 A 20 LEU HB3 A 21 LYS HA 1.0 1.8 4.96 2200 1912 A 22 VAL HA A 22 VAL HGy% 1.0 1.8 3.41 2201 1913 A 22 VAL HA A 83 THR HG2% 1.0 1.8 3.42 2202 1914 A 34 ILE HA A 38 THR HG2% 1.0 1.8 3.78 2203 1915 A 17 HIS HA A 35 LYS HGx 1.0 1.8 4.87 2204 1916 A 34 ILE HA A 34 ILE HG12 1.0 1.8 4.16 2205 1917 A 87 PHE HA A 25 GLN HGx 1.0 1.8 4.09 2206 1917 A 25 GLN HGy A 87 PHE HA 1.0 1.8 4.09 2207 1918 A 33 LYS HG3 A 32 PHE HA 1.0 1.8 5.42 2208 1919 A 67 ILE HG2% A 66 PRO HA 1.0 1.8 4.71 2209 1920 A 67 ILE HG12 A 66 PRO HA 1.0 1.8 4.93 2210 1921 A 58 ILE HG2% A 53 LEU HA 1.0 1.8 4.12 2211 1922 A 66 PRO HA A 61 ARG HB2 1.0 1.8 4.15 2212 1923 A 66 PRO HA A 61 ARG HG3 1.0 1.8 4.44 2213 1924 A 53 LEU HA A 53 LEU HDy% 1.0 1.8 4.24 2214 1925 A 60 PHE HB2 A 59 ARG HA 1.0 1.8 5.18 2215 1926 A 88 GLN HA A 88 GLN HGy 1.0 1.8 3.98 2216 1927 A 88 GLN HA A 58 ILE HB 1.0 1.8 4.01 2217 1928 A 59 ARG HA A 59 ARG HGy 1.0 1.8 3.89 2218 1929 A 59 ARG HA A 59 ARG HGx 1.0 1.8 4.03 2219 1930 A 18 ILE HA A 18 ILE HG12 1.0 1.8 4.17 2220 1931 A 18 ILE HD1% A 18 ILE HA 1.0 1.8 4.20 2221 1932 A 86 VAL HB A 24 GLY HA2 1.0 1.8 3.66 2222 1933 A 84 ILE HA A 85 ASP HBx 1.0 1.8 4.62 2223 1933 A 85 ASP HBy A 84 ILE HA 1.0 1.8 4.62 2224 1934 A 84 ILE HA A 84 ILE HG12 1.0 1.8 4.06 2225 1935 A 80 ASP HA A 18 ILE HB 1.0 1.8 4.04 2226 1936 A 80 ASP HA A 18 ILE HG13 1.0 1.8 5.00 2227 1937 A 80 ASP HA A 20 LEU HDy% 1.0 1.8 5.15 2228 1938 A 80 ASP HA A 20 LEU HDx% 1.0 1.8 5.15 2229 1939 A 67 ILE HD1% A 84 ILE HA 1.0 1.8 5.40 2230 1940 A 18 ILE HD1% A 79 GLU HA 1.0 1.8 4.49 2231 1941 A 36 ARG HA A 35 LYS HA 1.0 1.8 4.34 2232 1942 A 38 THR HG2% A 35 LYS HA 1.0 1.8 5.24 2233 1943 A 58 ILE HG2% A 57 GLN HA 1.0 1.8 4.60 2234 1944 A 32 PHE HE% A 31 GLN HA 1.0 1.8 4.30 2235 1945 A 61 ARG HA A 61 ARG HE 1.0 1.8 4.51 2236 1946 A 40 LEU H A 72 THR HA 1.0 1.8 4.80 2237 1947 A 68 ASN HD22 A 68 ASN HA 1.0 1.8 5.15 2238 1948 A 70 THR H A 68 ASN HA 1.0 1.8 4.05 2239 1949 A 68 ASN HD21 A 68 ASN HA 1.0 1.8 4.26 2240 1950 A 30 VAL H A 29 VAL HA 1.0 1.8 3.07 2241 1951 A 32 PHE HE% A 21 LYS HA 1.0 1.8 4.42 2242 1952 A 65 GLN HA A 61 ARG HE 1.0 1.8 4.68 2243 1953 A 38 THR H A 37 HIS HA 1.0 1.8 3.34 2244 1954 A 55 MET H A 54 SER HA 1.0 1.8 3.22 2245 1955 A 56 ARG H A 54 SER HA 1.0 1.8 4.20 2246 1956 A 70 THR H A 71 ASP HA 1.0 1.8 4.84 2247 1957 A 86 VAL HA A 87 PHE HE% 1.0 1.8 4.33 2248 1958 A 32 PHE HD% A 32 PHE HA 1.0 1.8 3.82 2249 1959 A 86 VAL HA A 87 PHE HD% 1.0 1.8 3.55 2250 1960 A 87 PHE HD% A 87 PHE HA 1.0 1.8 3.75 2251 1961 A 32 PHE HA A 33 LYS H 1.0 1.8 2.95 2252 1962 A 66 PRO HA A 61 ARG HE 1.0 1.8 3.37 2253 1963 A 43 LEU HDx% A 60 PHE HZ 1.0 1.8 3.72 2254 1964 A 43 LEU HDx% A 32 PHE HD% 1.0 1.8 4.23 2255 1965 A 22 VAL HGx% A 60 PHE HZ 1.0 1.8 3.67 2256 1966 A 22 VAL HGx% A 47 TYR HD% 1.0 1.8 3.66 2257 1967 A 22 VAL HGx% A 60 PHE HD% 1.0 1.8 3.97 2258 1968 A 22 VAL HGx% A 24 GLY H 1.0 1.8 4.54 2259 1969 A 43 LEU HDy% A 33 LYS H 1.0 1.8 5.47 2260 1970 A 43 LEU HDx% A 46 ALA H 1.0 1.8 5.11 2261 1971 A 19 ASN HA A 17 HIS HD2 1.0 1.8 5.06 2262 1972 A 65 GLN H A 62 PHE HA 1.0 1.8 5.32 2263 1973 A 23 ALA HA A 28 SER H 1.0 1.8 5.67 2264 1974 A 47 TYR HE% A 23 ALA HA 1.0 1.8 5.23 2265 1975 A 61 ARG HA A 87 PHE HE% 1.0 1.8 5.10 2266 1976 A 32 PHE HD% A 31 GLN HA 1.0 1.8 4.61 2267 1977 A 82 ASP H A 83 THR HA 1.0 1.8 5.61 2268 1978 A 74 ALA H A 72 THR HA 1.0 1.8 4.54 2269 1979 A 72 THR HA A 75 GLN H 1.0 1.8 5.26 2270 1980 A 29 VAL HA A 28 SER H 1.0 1.8 5.69 2271 1981 A 57 GLN H A 58 ILE HA 1.0 1.8 5.18 2272 1982 A 89 GLN HE2x A 58 ILE HA 1.0 1.8 4.84 2273 1983 A 47 TYR HD% A 29 VAL HA 1.0 1.8 4.49 2274 1984 A 47 TYR HE% A 29 VAL HA 1.0 1.8 4.57 2275 1985 A 14 ASN HD22 A 14 ASN HA 1.0 1.8 4.68 2276 1986 A 20 LEU H A 21 LYS HA 1.0 1.8 5.27 2277 1987 A 65 GLN HA A 62 PHE H 1.0 1.8 5.01 2278 1988 A 22 VAL HA A 60 PHE HE% 1.0 1.8 4.85 2279 1989 A 65 GLN HA A 65 GLN HE21 1.0 1.8 5.66 2280 1990 A 32 PHE HD% A 21 LYS HA 1.0 1.8 5.12 2281 1991 A 58 ILE H A 54 SER HA 1.0 1.8 5.68 2282 1992 A 59 ARG HA A 89 GLN HE2x 1.0 1.8 4.88 2283 1993 A 18 ILE HA A 17 HIS HD2 1.0 1.8 4.72 2284 1994 A 17 HIS H A 16 ASP HA 1.0 1.8 2.99 2285 1995 A 24 GLY HA2 A 86 VAL H 1.0 1.8 4.38 2286 1996 A 71 ASP H A 70 THR HB 1.0 1.8 5.35 2287 1997 A 67 ILE HA A 68 ASN HD21 1.0 1.8 4.66 2288 1998 A 76 LEU HA A 65 GLN HE21 1.0 1.8 6.00 2289 1999 A 74 ALA HA A 77 GLU H 1.0 1.8 4.14 2290 2000 A 54 SER HB3 A 56 ARG HE 1.0 1.8 4.66 2291 2001 A 48 CYS H A 48 CYS HBy 1.0 1.8 3.70 2292 2002 A 50 ARG HD2 A 51 GLN HE21 1.0 1.8 6.00 2293 2003 A 50 ARG HD3 A 51 GLN HE21 1.0 1.8 6.00 2294 2004 A 31 GLN H A 50 ARG HD2 1.0 1.8 6.00 2295 2005 A 40 LEU H A 71 ASP HB2 1.0 1.8 6.00 2296 2006 A 37 HIS H A 37 HIS HBx 1.0 1.8 3.70 2297 2007 A 60 PHE HE% A 55 MET HB3 1.0 1.8 6.00 2298 2008 A 60 PHE HE% A 55 MET HGx 1.0 1.8 6.00 2299 2008 A 60 PHE HE% A 55 MET HGy 1.0 1.8 6.00 2300 2009 A 2 ALA H A 1 MET HGx 1.0 1.8 4.71 2301 2010 A 49 GLU HG3 A 48 CYS H 1.0 1.8 5.74 2302 2011 A 66 PRO HB2 A 61 ARG HE 1.0 1.8 4.79 2303 2012 A 88 GLN HGy A 25 GLN HE22 1.0 1.8 4.96 2304 2013 A 32 PHE HE% A 31 GLN HG2 1.0 1.8 6.00 2305 2014 A 25 GLN HB2 A 87 PHE HE% 1.0 1.8 5.77 2306 2015 A 66 PRO HG3 A 61 ARG HE 1.0 1.8 5.26 2307 2016 A 46 ALA H A 49 GLU HB2 1.0 1.8 4.92 2308 2017 A 32 PHE HE% A 30 VAL HB 1.0 1.8 3.76 2309 2018 A 47 TYR HD% A 30 VAL HB 1.0 1.8 3.38 2310 2019 A 88 GLN HB3 A 25 GLN HE22 1.0 1.8 5.33 2311 2020 A 62 PHE H A 66 PRO HB3 1.0 1.8 5.72 2312 2021 A 5 LYS H A 4 GLU HBy 1.0 1.8 4.40 2313 2022 A 66 PRO HB3 A 61 ARG HE 1.0 1.8 4.50 2314 2023 A 14 ASN H A 13 GLU HBx 1.0 1.8 3.66 2315 2023 A 13 GLU HBy A 14 ASN H 1.0 1.8 3.66 2316 2024 A 66 PRO HG2 A 61 ARG HE 1.0 1.8 5.26 2317 2025 A 89 GLN HE2y A 89 GLN HBx 1.0 1.8 4.95 2318 2026 A 56 ARG HB3 A 56 ARG HE 1.0 1.8 4.25 2319 2027 A 56 ARG HB2 A 56 ARG HE 1.0 1.8 4.16 2320 2028 A 69 GLU H A 44 MET HBx 1.0 1.8 6.00 2321 2028 A 44 MET HBy A 69 GLU H 1.0 1.8 6.00 2322 2029 A 58 ILE HB A 60 PHE H 1.0 1.8 6.00 2323 2030 A 11 LYS H A 11 LYS HDx 1.0 1.8 5.27 2324 2030 A 11 LYS H A 11 LYS HDy 1.0 1.8 5.27 2325 2031 A 85 ASP H A 84 ILE HG13 1.0 1.8 4.17 2326 2032 A 21 LYS HB3 A 32 PHE H 1.0 1.8 5.81 2327 2033 A 36 ARG HE A 36 ARG HGy 1.0 1.8 3.81 2328 2034 A 32 PHE HD% A 46 ALA HB% 1.0 1.8 3.51 2329 2035 A 8 GLU H A 7 LYS HGx 1.0 1.8 4.67 2330 2035 A 7 LYS HGy A 8 GLU H 1.0 1.8 4.67 2331 2036 A 5 LYS H A 5 LYS HGx 1.0 1.8 4.13 2332 2036 A 5 LYS HGy A 5 LYS H 1.0 1.8 4.13 2333 2037 A 35 LYS H A 38 THR HG2% 1.0 1.8 3.51 2334 2038 A 53 LEU HB2 A 48 CYS H 1.0 1.8 5.46 2335 2039 A 59 ARG H A 59 ARG HBx 1.0 1.8 4.00 2336 2040 A 33 LYS HG3 A 31 GLN HE22 1.0 1.8 5.04 2337 2041 A 38 THR H A 34 ILE HG13 1.0 1.8 5.73 2338 2042 A 36 ARG HB2 A 17 HIS H 1.0 1.8 5.79 2339 2043 A 82 ASP H A 78 MET HG2 1.0 1.8 5.20 2340 2044 A 32 PHE HD% A 21 LYS HG3 1.0 1.8 4.92 2341 2045 A 47 TYR HE% A 21 LYS HG3 1.0 1.8 6.00 2342 2046 A 91 THR HG2% A 93 GLY H 1.0 1.8 5.71 2343 2047 A 35 LYS HGy A 37 HIS H 1.0 1.8 4.17 2344 2048 A 70 THR HG2% A 68 ASN HD21 1.0 1.8 4.64 2345 2049 A 84 ILE HG2% A 60 PHE H 1.0 1.8 5.38 2346 2050 A 47 TYR HE% A 53 LEU HDx% 1.0 1.8 4.43 2347 2051 A 60 PHE HZ A 22 VAL HGy% 1.0 1.8 3.38 2348 2052 A 30 VAL HGx% A 32 PHE HZ 1.0 1.8 3.50 2349 2053 A 18 ILE HG2% A 82 ASP H 1.0 1.8 6.00 2350 2054 A 58 ILE HD1% A 56 ARG H 1.0 1.8 6.00 2351 2055 A 43 LEU H A 43 LEU HG 1.0 1.8 3.83 2352 2056 A 58 ILE HG2% A 54 SER H 1.0 1.8 4.79 2353 2057 A 40 LEU HDy% A 44 MET H 1.0 1.8 5.69 2354 2058 A 40 LEU HDy% A 41 SER H 1.0 1.8 4.68 2355 2059 A 86 VAL HGy% A 85 ASP H 1.0 1.8 4.55 2356 2060 A 43 LEU HDx% A 60 PHE HE% 1.0 1.8 3.65 2357 2061 A 67 ILE HG13 A 61 ARG H 1.0 1.8 5.31 2358 2062 A 60 PHE HB3 A 61 ARG H 1.0 1.8 3.90 2359 2063 A 61 ARG H A 85 ASP HBx 1.0 1.8 4.37 2360 2063 A 85 ASP HBy A 61 ARG H 1.0 1.8 4.37 2361 2064 A 61 ARG H A 61 ARG HG3 1.0 1.8 4.87 2362 2065 A 61 ARG HG2 A 61 ARG H 1.0 1.8 4.56 2363 2066 A 67 ILE HG12 A 61 ARG H 1.0 1.8 4.72 2364 2067 A 62 PHE HB2 A 61 ARG H 1.0 1.8 5.28 2365 2068 A 84 ILE H A 83 THR HB 1.0 1.8 4.47 2366 2069 A 84 ILE H A 21 LYS HB2 1.0 1.8 5.87 2367 2070 A 84 ILE H A 21 LYS HB3 1.0 1.8 4.66 2368 2071 A 23 ALA HB% A 84 ILE H 1.0 1.8 4.03 2369 2072 A 61 ARG HG2 A 63 ASP H 1.0 1.8 5.50 2370 2073 A 84 ILE H A 21 LYS HG3 1.0 1.8 5.95 2371 2074 A 84 ILE H A 84 ILE HG12 1.0 1.8 4.59 2372 2075 A 22 VAL HGy% A 84 ILE H 1.0 1.8 4.21 2373 2076 A 23 ALA H A 85 ASP HBx 1.0 1.8 5.87 2374 2076 A 85 ASP HBy A 23 ALA H 1.0 1.8 5.87 2375 2077 A 22 VAL HB A 23 ALA H 1.0 1.8 4.49 2376 2078 A 68 ASN H A 67 ILE HG13 1.0 1.8 4.34 2377 2079 A 22 VAL H A 30 VAL HB 1.0 1.8 4.44 2378 2080 A 22 VAL H A 84 ILE HB 1.0 1.8 5.21 2379 2081 A 22 VAL H A 21 LYS HB3 1.0 1.8 4.62 2380 2082 A 60 PHE H A 59 ARG HGy 1.0 1.8 4.58 2381 2083 A 18 ILE H A 36 ARG HB2 1.0 1.8 4.79 2382 2084 A 18 ILE HG12 A 18 ILE H 1.0 1.8 4.03 2383 2085 A 40 LEU H A 39 PRO HB3 1.0 1.8 4.60 2384 2086 A 85 ASP H A 61 ARG HB3 1.0 1.8 4.67 2385 2087 A 85 ASP H A 84 ILE HB 1.0 1.8 4.94 2386 2088 A 34 ILE H A 17 HIS HB2 1.0 1.8 4.79 2387 2089 A 43 LEU HB3 A 47 TYR H 1.0 1.8 5.62 2388 2090 A 24 GLY H A 27 GLY HA2 1.0 1.8 5.40 2389 2091 A 22 VAL HB A 30 VAL H 1.0 1.8 4.19 2390 2092 A 8 GLU H A 6 PRO HGx 1.0 1.8 4.27 2391 2092 A 8 GLU H A 6 PRO HGy 1.0 1.8 4.27 2392 2093 A 48 CYS H A 49 GLU HB2 1.0 1.8 4.91 2393 2094 A 48 CYS H A 45 LYS HBx 1.0 1.8 5.50 2394 2094 A 45 LYS HBy A 48 CYS H 1.0 1.8 5.50 2395 2095 A 41 SER H A 44 MET HBx 1.0 1.8 4.36 2396 2095 A 44 MET HBy A 41 SER H 1.0 1.8 4.36 2397 2096 A 47 TYR HB3 A 48 CYS H 1.0 1.8 4.22 2398 2097 A 51 GLN HB2 A 48 CYS H 1.0 1.8 5.56 2399 2098 A 6 PRO HD3 A 5 LYS H 1.0 1.8 4.46 2400 2099 A 36 ARG H A 38 THR HB 1.0 1.8 5.06 2401 2100 A 36 ARG H A 35 LYS HGy 1.0 1.8 4.79 2402 2101 A 19 ASN HD22 A 33 LYS HG2 1.0 1.8 6.00 2403 2102 A 56 ARG H A 55 MET HB3 1.0 1.8 4.62 2404 2103 A 56 ARG H A 58 ILE HG13 1.0 1.8 6.00 2405 2104 A 20 LEU HB3 A 82 ASP H 1.0 1.8 6.00 2406 2105 A 50 ARG HB3 A 50 ARG H 1.0 1.8 3.86 2407 2106 A 65 GLN H A 63 ASP HA 1.0 1.8 4.40 2408 2107 A 67 ILE H A 61 ARG HB3 1.0 1.8 5.25 2409 2108 A 25 GLN HB2 A 25 GLN HE21 1.0 1.8 4.89 2410 2109 A 39 PRO HD3 A 38 THR H 1.0 1.8 5.02 2411 2110 A 31 GLN HE22 A 31 GLN HB2 1.0 1.8 4.78 2412 2111 A 38 THR H A 73 PRO HG2 1.0 1.8 5.44 2413 2112 A 38 THR H A 36 ARG HB3 1.0 1.8 5.24 2414 2113 A 58 ILE H A 57 GLN HG2 1.0 1.8 5.87 2415 2114 A 62 PHE HD% A 65 GLN HG2 1.0 1.8 6.00 2416 2115 A 53 LEU HB3 A 88 GLN HE2x 1.0 1.8 5.23 2417 2116 A 86 VAL HB A 88 GLN HE2x 1.0 1.8 5.79 2418 2117 A 33 LYS HB2 A 17 HIS HD2 1.0 1.8 5.15 2419 2118 A 61 ARG H A 87 PHE HE% 1.0 1.8 4.41 2420 2119 A 60 PHE HD% A 61 ARG H 1.0 1.8 4.28 2421 2120 A 85 ASP H A 84 ILE H 1.0 1.8 4.70 2422 2121 A 60 PHE HA A 22 VAL HGx% 1.0 1.8 5.12 2423 2122 A 22 VAL HGx% A 85 ASP HA 1.0 1.8 5.61 2424 2123 A 31 GLN HG2 A 19 ASN HB2 1.0 1.8 4.56 2425 2124 A 21 LYS HB2 A 21 LYS HE3 1.0 1.8 4.09 2426 2125 A 30 VAL HA A 31 GLN HB3 1.0 1.8 4.87 2427 2126 A 6 PRO HD3 A 5 LYS HBx 1.0 1.8 4.65 2428 2126 A 5 LYS HBy A 6 PRO HD3 1.0 1.8 4.65 2429 2127 A 36 ARG HA A 36 ARG HGx 1.0 1.8 4.07 2430 2128 A 21 LYS HG2 A 83 THR HB 1.0 1.8 4.96 2431 2129 A 83 THR HG2% A 21 LYS HE2 1.0 1.8 4.72 2432 2130 A 22 VAL HGy% A 47 TYR HB3 1.0 1.8 4.55 2433 2131 A 35 LYS HGx A 35 LYS HEy 1.0 1.8 3.77 2434 2132 A 18 ILE HD1% A 73 PRO HA 1.0 1.8 4.25 2435 2133 A 43 LEU HDy% A 44 MET HA 1.0 1.8 5.18 2436 2134 A 43 LEU HDx% A 47 TYR HB3 1.0 1.8 4.51 2437 2135 A 43 LEU HDx% A 40 LEU HA 1.0 1.8 4.34 2438 2136 A 43 LEU HDx% A 32 PHE HB3 1.0 1.8 5.48 2439 2137 A 73 PRO HB2 A 78 MET HB3 1.0 1.8 3.61 2440 2138 A 70 THR HG2% A 69 GLU HG2 1.0 1.8 4.28 2441 2139 A 30 VAL HGy% A 50 ARG HB2 1.0 1.8 3.89 2442 2140 A 74 ALA HB% A 73 PRO HB3 1.0 1.8 5.63 2443 2141 A 22 VAL HGy% A 84 ILE HB 1.0 1.8 3.37 2444 2142 A 40 LEU HDy% A 78 MET HG3 1.0 1.8 5.78 2445 2143 A 58 ILE HG2% A 88 GLN HB3 1.0 1.8 4.40 2446 2144 A 58 ILE HG2% A 53 LEU HB3 1.0 1.8 2.99 2447 2145 A 40 LEU HDy% A 73 PRO HB3 1.0 1.8 3.97 2448 2146 A 18 ILE HD1% A 20 LEU HG 1.0 1.8 3.68 2449 2147 A 43 LEU HDy% A 42 LYS HB2 1.0 1.8 4.56 2450 2148 A 86 VAL HGy% A 22 VAL HB 1.0 1.8 4.44 2451 2149 A 86 VAL HGy% A 58 ILE HB 1.0 1.8 4.43 2452 2150 A 43 LEU HDx% A 22 VAL HB 1.0 1.8 4.38 2453 2151 A 43 LEU HDx% A 32 PHE HB2 1.0 1.8 4.58 2454 2152 A 43 LEU HDx% A 84 ILE HB 1.0 1.8 4.42 2455 2153 A 43 LEU HDx% A 84 ILE HG13 1.0 1.8 5.21 2456 2154 A 43 LEU HDx% A 46 ALA HB% 1.0 1.8 4.78 2457 2155 A 43 LEU HDx% A 43 LEU HB2 1.0 1.8 3.79 2458 2156 A 22 VAL HGx% A 23 ALA HB% 1.0 1.8 4.21 2459 2157 A 22 VAL HGx% A 84 ILE HB 1.0 1.8 3.92 2460 2158 A 86 VAL HB A 22 VAL HGx% 1.0 1.8 3.93 2461 2159 A 85 ASP HA A 83 THR HG2% 1.0 1.8 4.29 2462 2160 A 62 PHE HB2 A 61 ARG HA 1.0 1.8 4.65 2463 2161 A 84 ILE HG2% A 83 THR HA 1.0 1.8 5.66 2464 2162 A 57 GLN HB3 A 58 ILE HA 1.0 1.8 4.56 2465 2163 A 22 VAL HB A 29 VAL HA 1.0 1.8 4.50 2466 2164 A 17 HIS HA A 36 ARG HB2 1.0 1.8 4.66 2467 2165 A 72 THR HG2% A 71 ASP HA 1.0 1.8 4.86 2468 2166 A 84 ILE HG2% A 86 VAL HA 1.0 1.8 5.33 2469 2167 A 88 GLN HA A 57 GLN HB3 1.0 1.8 5.46 2470 2168 A 88 GLN HA A 89 GLN HGx 1.0 1.8 5.83 2471 2168 A 88 GLN HA A 89 GLN HGy 1.0 1.8 5.83 2472 2169 A 24 GLY HA2 A 25 GLN HGx 1.0 1.8 4.49 2473 2169 A 25 GLN HGy A 24 GLY HA2 1.0 1.8 4.49 2474 2170 A 80 ASP HA A 81 GLU HBx 1.0 1.8 4.94 2475 2171 A 80 ASP HA A 18 ILE HG12 1.0 1.8 5.52 2476 2172 A 79 GLU HA A 78 MET HB3 1.0 1.8 5.13 2477 2173 A 79 GLU HA A 78 MET HG2 1.0 1.8 5.87 2478 2174 A 35 LYS HA A 17 HIS HB2 1.0 1.8 4.63 2479 2175 A 17 HIS HB3 A 35 LYS HA 1.0 1.8 4.49 2480 2176 A 72 THR HB A 73 PRO HG2 1.0 1.8 4.69 2481 2177 A 58 ILE HG12 A 55 MET HA 1.0 1.8 4.09 2482 2178 A 46 ALA HA A 49 GLU HG3 1.0 1.8 4.35 2483 2179 A 7 LYS HA A 7 LYS HGx 1.0 1.8 3.82 2484 2179 A 7 LYS HGy A 7 LYS HA 1.0 1.8 3.82 2485 2180 A 47 TYR HA A 51 GLN HB2 1.0 1.8 4.65 2486 2181 A 38 THR HG2% A 73 PRO HDx 1.0 1.8 4.19 2487 2181 A 38 THR HG2% A 73 PRO HDy 1.0 1.8 4.19 2488 2182 A 61 ARG HG3 A 64 GLY HA2 1.0 1.8 4.72 2489 2183 A 32 PHE HB3 A 34 ILE HG2% 1.0 1.8 4.07 2490 2184 A 62 PHE HB2 A 84 ILE HG12 1.0 1.8 4.70 2491 2185 A 71 ASP HB2 A 67 ILE HB 1.0 1.8 4.46 2492 2186 A 55 MET HE% A 45 LYS HEx 1.0 1.8 3.71 2493 2186 A 55 MET HE% A 45 LYS HEy 1.0 1.8 3.71 2494 2187 A 87 PHE HB3 A 25 GLN HGx 1.0 1.8 3.90 2495 2187 A 25 GLN HGy A 87 PHE HB3 1.0 1.8 3.90 2496 2188 A 81 GLU HG2 A 19 ASN HB2 1.0 1.8 4.03 2497 2189 A 71 ASP HB3 A 67 ILE HB 1.0 1.8 3.61 2498 2190 A 75 GLN HBy A 76 LEU HBy 1.0 1.8 4.33 2499 2191 A 88 GLN HGy A 58 ILE HB 1.0 1.8 4.53 2500 2192 A 67 ILE HG2% A 65 GLN HG3 1.0 1.8 3.74 2501 2193 A 73 PRO HB2 A 78 MET HB2 1.0 1.8 3.99 2502 2194 A 73 PRO HB2 A 20 LEU HDy% 1.0 1.8 4.03 2503 2195 A 73 PRO HB2 A 20 LEU HDx% 1.0 1.8 4.03 2504 2196 A 55 MET HE% A 58 ILE HD1% 1.0 1.8 3.78 2505 2197 A 42 LYS HB3 A 42 LYS HDx 1.0 1.8 3.07 2506 2197 A 42 LYS HDy A 42 LYS HB3 1.0 1.8 3.07 2507 2198 A 56 ARG HB2 A 56 ARG HGx 1.0 1.8 2.98 2508 2198 A 56 ARG HB2 A 56 ARG HGy 1.0 1.8 2.98 2509 2199 A 34 ILE HD1% A 34 ILE HB 1.0 1.8 3.44 2510 2200 A 78 MET HB2 A 20 LEU HDx% 1.0 1.8 4.87 2511 2201 A 67 ILE HD1% A 84 ILE HB 1.0 1.8 5.15 2512 2202 A 78 MET HB2 A 20 LEU HDy% 1.0 1.8 4.87 2513 2203 A 5 LYS HBx A 5 LYS HGx 1.0 1.8 2.77 2514 2203 A 5 LYS HGy A 5 LYS HBx 1.0 1.8 2.77 2515 2203 A 5 LYS HGy A 5 LYS HBy 1.0 1.8 2.77 2516 2203 A 5 LYS HBy A 5 LYS HGx 1.0 1.8 2.77 2517 2204 A 55 MET HB2 A 56 ARG HGx 1.0 1.8 3.71 2518 2204 A 55 MET HB2 A 56 ARG HGy 1.0 1.8 3.71 2519 2205 A 78 MET HG3 A 76 LEU HG 1.0 1.8 4.20 2520 2206 A 55 MET HE% A 44 MET HBx 1.0 1.8 2.82 2521 2206 A 55 MET HE% A 44 MET HBy 1.0 1.8 2.82 2522 2207 A 45 LYS HBy A 45 LYS HDx 1.0 1.8 3.62 2523 2207 A 45 LYS HBx A 45 LYS HDx 1.0 1.8 3.62 2524 2207 A 45 LYS HDy A 45 LYS HBx 1.0 1.8 3.62 2525 2207 A 45 LYS HBy A 45 LYS HDy 1.0 1.8 3.62 2526 2208 A 78 MET HE% A 84 ILE HG13 1.0 1.8 3.59 2527 2209 A 30 VAL HGy% A 51 GLN HGx 1.0 1.8 3.57 2528 2209 A 30 VAL HGy% A 51 GLN HGy 1.0 1.8 3.57 2529 2210 A 84 ILE HG2% A 84 ILE HG13 1.0 1.8 3.45 2530 2211 A 31 GLN HB2 A 21 LYS HDx 1.0 1.8 3.47 2531 2211 A 21 LYS HDy A 31 GLN HB2 1.0 1.8 3.47 2532 2212 A 83 THR HG2% A 21 LYS HB3 1.0 1.8 3.47 2533 2213 A 53 LEU HB3 A 53 LEU HDy% 1.0 1.8 3.24 2534 2214 A 84 ILE HG2% A 44 MET HE% 1.0 1.8 4.75 2535 2215 A 84 ILE HG2% A 86 VAL HB 1.0 1.8 5.19 2536 2216 A 53 LEU HB3 A 53 LEU HDx% 1.0 1.8 3.24 2537 2217 A 20 LEU HB2 A 84 ILE HD1% 1.0 1.8 4.56 2538 2218 A 84 ILE HD1% A 20 LEU HG 1.0 1.8 4.63 2539 2219 A 18 ILE HG2% A 18 ILE HG13 1.0 1.8 3.39 2540 2220 A 83 THR HG2% A 21 LYS HG3 1.0 1.8 3.86 2541 2221 A 20 LEU HB3 A 20 LEU HDy% 1.0 1.8 3.52 2542 2222 A 21 LYS HG2 A 83 THR HG2% 1.0 1.8 3.45 2543 2223 A 40 LEU HDy% A 40 LEU HB3 1.0 1.8 3.48 2544 2224 A 40 LEU HDx% A 40 LEU HB3 1.0 1.8 3.64 2545 2225 A 84 ILE HG2% A 84 ILE HG12 1.0 1.8 3.14 2546 2226 A 84 ILE HG2% A 22 VAL HGy% 1.0 1.8 3.49 2547 2227 A 34 ILE HD1% A 34 ILE HG2% 1.0 1.8 2.74 2548 2228 A 40 LEU HDx% A 76 LEU HDx% 1.0 1.8 3.91 2549 2229 A 18 ILE HG2% A 36 ARG HB2 1.0 1.8 3.85 2550 2230 A 58 ILE HD1% A 86 VAL HGx% 1.0 1.8 3.49 2551 2231 A 78 MET HE% A 84 ILE HD1% 1.0 1.8 2.65 2552 2232 A 84 ILE HD1% A 22 VAL HGy% 1.0 1.8 3.26 2553 2233 A 40 LEU HDx% A 67 ILE HG2% 1.0 1.8 3.58 2554 2234 A 40 LEU HDx% A 76 LEU HDy% 1.0 1.8 3.91 2555 2235 A 86 VAL HGx% A 58 ILE HG13 1.0 1.8 4.18 2556 2236 A 43 LEU HDy% A 34 ILE HG2% 1.0 1.8 3.41 2557 2237 A 43 LEU HDy% A 40 LEU HDy% 1.0 1.8 3.36 2558 2238 A 22 VAL HGx% A 83 THR HG2% 1.0 1.8 4.72 2559 2239 A 60 PHE HA A 86 VAL HA 1.0 1.8 3.73 2560 2240 A 60 PHE HA A 59 ARG HA 1.0 1.8 4.46 2561 2241 A 72 THR HA A 39 PRO HA 1.0 1.8 4.00 2562 2242 A 61 ARG H A 86 VAL H 1.0 1.8 5.20 2563 2243 A 60 PHE HE% A 61 ARG H 1.0 1.8 6.00 2564 2244 A 14 ASN H A 14 ASN HD22 1.0 1.8 6.00 2565 2245 A 54 SER H A 57 GLN HE21 1.0 1.8 6.00 2566 2246 A 30 VAL HB A 47 TYR H 1.0 1.8 6.00 2567 2247 A 55 MET HE% A 47 TYR H 1.0 1.8 6.00 2568 2248 A 43 LEU HDy% A 47 TYR H 1.0 1.8 6.00 2569 2249 A 22 VAL HGx% A 47 TYR H 1.0 1.8 5.84 2570 2250 A 60 PHE HE% A 43 LEU HA 1.0 1.8 6.00 2571 2251 A 22 VAL HGx% A 47 TYR HB2 1.0 1.8 4.62 2572 2252 A 22 VAL HGx% A 85 ASP HBx 1.0 1.8 6.00 2573 2252 A 85 ASP HBy A 22 VAL HGx% 1.0 1.8 6.00 2574 2253 A 43 LEU HDx% A 47 TYR HA 1.0 1.8 5.80 2575 2254 A 22 VAL HGx% A 47 TYR HA 1.0 1.8 5.46 2576 2255 A 22 VAL HGx% A 24 GLY HA3 1.0 1.8 4.87 2577 2256 A 60 PHE HB2 A 22 VAL HGx% 1.0 1.8 5.64 2578 2257 A 18 ILE HG12 A 36 ARG HA 1.0 1.8 5.28 2579 2258 A 47 TYR HE% A 60 PHE HZ 1.0 1.8 4.29 2580 2259 A 47 TYR HE% A 51 GLN H 1.0 1.8 5.70 2581 2260 A 47 TYR HE% A 32 PHE HE% 1.0 1.8 4.91 2582 2261 A 47 TYR HD% A 32 PHE HZ 1.0 1.8 2.96 2583 2262 A 60 PHE HZ A 47 TYR HD% 1.0 1.8 3.20 2584 2263 A 64 GLY H A 62 PHE HA 1.0 1.8 4.48 2585 2264 A 62 PHE HD% A 62 PHE HA 1.0 1.8 3.03 2586 2265 A 35 LYS HA A 17 HIS HD2 1.0 1.8 5.18 2587 2266 A 78 MET HG3 A 78 MET H 1.0 1.8 4.14 2588 2267 A 60 PHE HD% A 84 ILE HG12 1.0 1.8 3.25 2589 2268 A 87 PHE H A 58 ILE HG2% 1.0 1.8 6.00 2590 2269 A 85 ASP H A 87 PHE HE% 1.0 1.8 4.87 2591 2270 A 18 ILE H A 34 ILE H 1.0 1.8 4.23 2592 2271 A 24 GLY H A 26 ASP H 1.0 1.8 4.66 2593 2272 A 59 ARG H A 58 ILE H 1.0 1.8 4.59 2594 2273 A 74 ALA H A 75 GLN H 1.0 1.8 4.11 2595 2274 A 53 LEU H A 54 SER H 1.0 1.8 4.64 2596 2275 A 77 GLU H A 78 MET H 1.0 1.8 3.67 2597 2276 A 25 GLN HE22 A 88 GLN HE2x 1.0 1.8 4.18 2598 2277 A 62 PHE HA A 61 ARG H 1.0 1.8 4.97 2599 2278 A 78 MET HE% A 79 GLU H 1.0 1.8 5.42 2600 2279 A 60 PHE HB2 A 60 PHE H 1.0 1.8 3.99 2601 2280 A 34 ILE H A 33 LYS HG2 1.0 1.8 4.41 2602 2281 A 65 GLN HA A 66 PRO HD2 1.0 1.8 3.28 2603 2282 A 91 THR HB A 92 GLY HAx 1.0 1.8 4.80 2604 2282 A 92 GLY HAy A 91 THR HB 1.0 1.8 4.80 2605 2283 A 36 ARG HA A 74 ALA HA 1.0 1.8 5.48 2606 2284 A 44 MET HE% A 41 SER HA 1.0 1.8 4.09 2607 2285 A 44 MET HA A 41 SER HA 1.0 1.8 5.02 2608 2286 A 50 ARG HB3 A 50 ARG HD3 1.0 1.8 3.88 2609 2287 A 30 VAL HB A 50 ARG HD2 1.0 1.8 4.05 2610 2288 A 31 GLN HG2 A 21 LYS HE2 1.0 1.8 4.51 2611 2289 A 61 ARG HB3 A 85 ASP HBx 1.0 1.8 4.10 2612 2289 A 85 ASP HBy A 61 ARG HB3 1.0 1.8 4.10 2613 2290 A 70 THR HG2% A 71 ASP HB3 1.0 1.8 4.67 2614 2291 A 76 LEU HA A 75 GLN HBy 1.0 1.8 4.00 2615 2292 A 72 THR HG2% A 75 GLN HBx 1.0 1.8 4.05 2616 2293 A 50 ARG HB3 A 50 ARG HD2 1.0 1.8 4.07 2617 2294 A 74 ALA HB% A 36 ARG HB2 1.0 1.8 4.75 2618 2295 A 43 LEU HDx% A 20 LEU HB3 1.0 1.8 4.36 2619 2296 A 81 GLU H A 19 ASN HB2 1.0 1.8 3.96 2620 2297 A 60 PHE HD% A 44 MET HA 1.0 1.8 4.35 2621 2298 A 55 MET HE% A 60 PHE HD% 1.0 1.8 3.93 2622 2299 A 58 ILE HD1% A 47 TYR HD% 1.0 1.8 3.68 2623 2300 A 60 PHE HD% A 58 ILE HD1% 1.0 1.8 3.84 2624 2301 A 32 PHE HE% A 50 ARG HD3 1.0 1.8 4.52 2625 2302 A 32 PHE HE% A 43 LEU HDx% 1.0 1.8 4.36 2626 2303 A 44 MET HE% A 60 PHE HE% 1.0 1.8 4.58 2627 2304 A 62 PHE HD% A 78 MET HG3 1.0 1.8 4.48 2628 2305 A 62 PHE HD% A 76 LEU HBy 1.0 1.8 5.10 2629 2306 A 62 PHE HD% A 76 LEU HG 1.0 1.8 5.30 2630 2307 A 60 PHE HZ A 22 VAL HB 1.0 1.8 4.48 2631 2308 A 32 PHE HE% A 32 PHE HA 1.0 1.8 5.03 2632 2309 A 1 MET HA A 1 MET HBx 1.0 1.8 2.59 2633 2309 A 1 MET HA A 1 MET HBy 1.0 1.8 2.59 2634 2310 A 1 MET HA A 1 MET HGx 1.0 1.8 3.62 2635 2310 A 1 MET HA A 1 MET HGy 1.0 1.8 3.62 2636 2311 A 1 MET HE% A 1 MET HGx 1.0 1.8 2.65 2637 2311 A 1 MET HE% A 1 MET HGy 1.0 1.8 2.65 2638 2312 A 2 ALA H A 3 ASP HBy 1.0 1.8 4.99 2639 2312 A 2 ALA H A 3 ASP HBx 1.0 1.8 4.99 2640 2313 A 3 ASP H A 3 ASP HBy 1.0 1.8 2.86 2641 2313 A 3 ASP H A 3 ASP HBx 1.0 1.8 2.86 2642 2314 A 4 GLU H A 3 ASP HBy 1.0 1.8 4.37 2643 2314 A 4 GLU H A 3 ASP HBx 1.0 1.8 4.37 2644 2315 A 4 GLU HA A 3 ASP HBy 1.0 1.8 4.77 2645 2315 A 4 GLU HA A 3 ASP HBx 1.0 1.8 4.77 2646 2316 A 3 ASP HBy A 4 GLU HBx 1.0 1.8 5.54 2647 2316 A 4 GLU HBy A 3 ASP HBy 1.0 1.8 5.54 2648 2316 A 3 ASP HBx A 4 GLU HBy 1.0 1.8 5.54 2649 2316 A 3 ASP HBx A 4 GLU HBx 1.0 1.8 5.54 2650 2317 A 3 ASP HBx A 6 PRO HGx 1.0 1.8 5.28 2651 2317 A 3 ASP HBy A 6 PRO HGx 1.0 1.8 5.28 2652 2317 A 6 PRO HGy A 3 ASP HBy 1.0 1.8 5.28 2653 2317 A 6 PRO HGy A 3 ASP HBx 1.0 1.8 5.28 2654 2318 A 4 GLU H A 4 GLU HBx 1.0 1.8 3.16 2655 2318 A 4 GLU H A 4 GLU HBy 1.0 1.8 3.16 2656 2319 A 5 LYS H A 4 GLU HBx 1.0 1.8 3.78 2657 2319 A 5 LYS H A 4 GLU HBy 1.0 1.8 3.78 2658 2320 A 4 GLU HBy A 5 LYS HGx 1.0 1.8 4.90 2659 2320 A 5 LYS HGy A 4 GLU HBx 1.0 1.8 4.90 2660 2320 A 5 LYS HGy A 4 GLU HBy 1.0 1.8 4.90 2661 2320 A 4 GLU HBx A 5 LYS HGx 1.0 1.8 4.90 2662 2321 A 7 LYS H A 7 LYS HBy 1.0 1.8 2.83 2663 2321 A 7 LYS H A 7 LYS HBx 1.0 1.8 2.83 2664 2322 A 7 LYS HBx A 7 LYS HDx 1.0 1.8 2.76 2665 2322 A 7 LYS HBy A 7 LYS HDx 1.0 1.8 2.76 2666 2322 A 7 LYS HDy A 7 LYS HBy 1.0 1.8 2.76 2667 2322 A 7 LYS HDy A 7 LYS HBx 1.0 1.8 2.76 2668 2323 A 7 LYS HBy A 7 LYS HEx 1.0 1.8 3.92 2669 2323 A 7 LYS HBx A 7 LYS HEx 1.0 1.8 3.92 2670 2323 A 7 LYS HEy A 7 LYS HBy 1.0 1.8 3.92 2671 2323 A 7 LYS HEy A 7 LYS HBx 1.0 1.8 3.92 2672 2324 A 10 VAL HGx% A 11 LYS HBx 1.0 1.8 4.44 2673 2324 A 10 VAL HGy% A 11 LYS HBx 1.0 1.8 4.44 2674 2324 A 11 LYS HBy A 10 VAL HGx% 1.0 1.8 4.44 2675 2324 A 10 VAL HGy% A 11 LYS HBy 1.0 1.8 4.44 2676 2325 A 11 LYS H A 11 LYS HBx 1.0 1.8 3.32 2677 2325 A 11 LYS H A 11 LYS HBy 1.0 1.8 3.32 2678 2326 A 11 LYS HBx A 11 LYS HEx 1.0 1.8 4.41 2679 2326 A 11 LYS HBy A 11 LYS HEx 1.0 1.8 4.41 2680 2326 A 11 LYS HEy A 11 LYS HBx 1.0 1.8 4.41 2681 2326 A 11 LYS HEy A 11 LYS HBy 1.0 1.8 4.41 2682 2327 A 12 THR H A 11 LYS HBx 1.0 1.8 3.91 2683 2327 A 12 THR H A 11 LYS HBy 1.0 1.8 3.91 2684 2328 A 14 ASN HD22 A 14 ASN HBy 1.0 1.8 3.41 2685 2328 A 14 ASN HD22 A 14 ASN HBx 1.0 1.8 3.41 2686 2329 A 15 ASN H A 14 ASN HBy 1.0 1.8 3.95 2687 2329 A 15 ASN H A 14 ASN HBx 1.0 1.8 3.95 2688 2330 A 15 ASN HA A 15 ASN HD2y 1.0 1.8 4.41 2689 2330 A 15 ASN HA A 15 ASN HD2x 1.0 1.8 4.41 2690 2331 A 15 ASN HA A 35 LYS HEy 1.0 1.8 4.57 2691 2331 A 15 ASN HA A 35 LYS HEx 1.0 1.8 4.57 2692 2332 A 16 ASP H A 15 ASN HD2y 1.0 1.8 5.48 2693 2332 A 15 ASN HD2x A 16 ASP H 1.0 1.8 5.48 2694 2333 A 17 HIS H A 15 ASN HD2y 1.0 1.8 5.58 2695 2333 A 15 ASN HD2x A 17 HIS H 1.0 1.8 5.58 2696 2334 A 17 HIS HB3 A 15 ASN HD2y 1.0 1.8 3.28 2697 2334 A 15 ASN HD2x A 17 HIS HB3 1.0 1.8 3.28 2698 2335 A 35 LYS HGy A 15 ASN HD2y 1.0 1.8 5.24 2699 2335 A 35 LYS HGy A 15 ASN HD2x 1.0 1.8 5.24 2700 2336 A 16 ASP H A 35 LYS HEy 1.0 1.8 3.43 2701 2336 A 16 ASP H A 35 LYS HEx 1.0 1.8 3.43 2702 2337 A 16 ASP HA A 35 LYS HEy 1.0 1.8 4.76 2703 2337 A 16 ASP HA A 35 LYS HEx 1.0 1.8 4.76 2704 2338 A 17 HIS H A 35 LYS HEy 1.0 1.8 4.52 2705 2338 A 17 HIS H A 35 LYS HEx 1.0 1.8 4.52 2706 2339 A 18 ILE HB A 20 LEU HDx% 1.0 1.8 3.73 2707 2339 A 18 ILE HB A 20 LEU HDy% 1.0 1.8 3.73 2708 2340 A 18 ILE HG2% A 36 ARG HDx 1.0 1.8 5.34 2709 2340 A 18 ILE HG2% A 36 ARG HDy 1.0 1.8 5.34 2710 2341 A 18 ILE HD1% A 36 ARG HDx 1.0 1.8 5.81 2711 2341 A 18 ILE HD1% A 36 ARG HDy 1.0 1.8 5.81 2712 2342 A 18 ILE HD1% A 82 ASP HBx 1.0 1.8 4.91 2713 2342 A 18 ILE HD1% A 82 ASP HBy 1.0 1.8 4.91 2714 2343 A 19 ASN HA A 20 LEU HDx% 1.0 1.8 4.47 2715 2343 A 19 ASN HA A 20 LEU HDy% 1.0 1.8 4.47 2716 2344 A 19 ASN HB2 A 20 LEU HDx% 1.0 1.8 5.92 2717 2344 A 19 ASN HB2 A 20 LEU HDy% 1.0 1.8 5.92 2718 2345 A 19 ASN HD21 A 20 LEU HDx% 1.0 1.8 5.44 2719 2345 A 19 ASN HD21 A 20 LEU HDy% 1.0 1.8 5.44 2720 2346 A 20 LEU H A 20 LEU HDx% 1.0 1.8 3.62 2721 2346 A 20 LEU H A 20 LEU HDy% 1.0 1.8 3.62 2722 2347 A 20 LEU HA A 20 LEU HDx% 1.0 1.8 3.03 2723 2347 A 20 LEU HA A 20 LEU HDy% 1.0 1.8 3.03 2724 2348 A 20 LEU HA A 82 ASP HBx 1.0 1.8 5.47 2725 2348 A 20 LEU HA A 82 ASP HBy 1.0 1.8 5.47 2726 2349 A 20 LEU HB2 A 20 LEU HDx% 1.0 1.8 3.09 2727 2349 A 20 LEU HB2 A 20 LEU HDy% 1.0 1.8 3.09 2728 2350 A 20 LEU HB3 A 20 LEU HDx% 1.0 1.8 2.86 2729 2350 A 20 LEU HB3 A 20 LEU HDy% 1.0 1.8 2.86 2730 2351 A 21 LYS H A 20 LEU HDx% 1.0 1.8 3.75 2731 2351 A 21 LYS H A 20 LEU HDy% 1.0 1.8 3.75 2732 2352 A 32 PHE H A 20 LEU HDx% 1.0 1.8 5.81 2733 2352 A 32 PHE H A 20 LEU HDy% 1.0 1.8 5.81 2734 2353 A 32 PHE HB2 A 20 LEU HDx% 1.0 1.8 5.37 2735 2353 A 32 PHE HB2 A 20 LEU HDy% 1.0 1.8 5.37 2736 2354 A 32 PHE HB3 A 20 LEU HDx% 1.0 1.8 5.92 2737 2354 A 32 PHE HB3 A 20 LEU HDy% 1.0 1.8 5.92 2738 2355 A 33 LYS HA A 20 LEU HDx% 1.0 1.8 4.59 2739 2355 A 33 LYS HA A 20 LEU HDy% 1.0 1.8 4.59 2740 2356 A 34 ILE H A 20 LEU HDx% 1.0 1.8 4.34 2741 2356 A 34 ILE H A 20 LEU HDy% 1.0 1.8 4.34 2742 2357 A 38 THR HB A 20 LEU HDx% 1.0 1.8 5.92 2743 2357 A 38 THR HB A 20 LEU HDy% 1.0 1.8 5.92 2744 2358 A 43 LEU HDy% A 20 LEU HDx% 1.0 1.8 3.26 2745 2358 A 43 LEU HDy% A 20 LEU HDy% 1.0 1.8 3.26 2746 2359 A 73 PRO HA A 20 LEU HDx% 1.0 1.8 5.07 2747 2359 A 73 PRO HA A 20 LEU HDy% 1.0 1.8 5.07 2748 2360 A 73 PRO HB2 A 20 LEU HDx% 1.0 1.8 3.45 2749 2360 A 73 PRO HB2 A 20 LEU HDy% 1.0 1.8 3.45 2750 2361 A 73 PRO HB3 A 20 LEU HDx% 1.0 1.8 3.61 2751 2361 A 73 PRO HB3 A 20 LEU HDy% 1.0 1.8 3.61 2752 2362 A 73 PRO HG2 A 20 LEU HDx% 1.0 1.8 5.28 2753 2362 A 73 PRO HG2 A 20 LEU HDy% 1.0 1.8 5.28 2754 2363 A 78 MET HB2 A 20 LEU HDx% 1.0 1.8 3.76 2755 2363 A 78 MET HB2 A 20 LEU HDy% 1.0 1.8 3.76 2756 2364 A 78 MET HB3 A 20 LEU HDx% 1.0 1.8 3.52 2757 2364 A 78 MET HB3 A 20 LEU HDy% 1.0 1.8 3.52 2758 2365 A 78 MET HG2 A 20 LEU HDx% 1.0 1.8 3.21 2759 2365 A 78 MET HG2 A 20 LEU HDy% 1.0 1.8 3.21 2760 2366 A 78 MET HG3 A 20 LEU HDx% 1.0 1.8 5.35 2761 2366 A 78 MET HG3 A 20 LEU HDy% 1.0 1.8 5.35 2762 2367 A 79 GLU H A 20 LEU HDx% 1.0 1.8 4.61 2763 2367 A 79 GLU H A 20 LEU HDy% 1.0 1.8 4.61 2764 2368 A 80 ASP H A 20 LEU HDx% 1.0 1.8 5.73 2765 2368 A 80 ASP H A 20 LEU HDy% 1.0 1.8 5.73 2766 2369 A 80 ASP HA A 20 LEU HDx% 1.0 1.8 3.88 2767 2369 A 80 ASP HA A 20 LEU HDy% 1.0 1.8 3.88 2768 2370 A 81 GLU H A 20 LEU HDx% 1.0 1.8 3.95 2769 2370 A 81 GLU H A 20 LEU HDy% 1.0 1.8 3.95 2770 2371 A 82 ASP H A 20 LEU HDx% 1.0 1.8 3.24 2771 2371 A 82 ASP H A 20 LEU HDy% 1.0 1.8 3.24 2772 2372 A 20 LEU HDx% A 82 ASP HBx 1.0 1.8 3.21 2773 2372 A 20 LEU HDy% A 82 ASP HBx 1.0 1.8 3.21 2774 2372 A 82 ASP HBy A 20 LEU HDx% 1.0 1.8 3.21 2775 2372 A 20 LEU HDy% A 82 ASP HBy 1.0 1.8 3.21 2776 2373 A 83 THR H A 20 LEU HDx% 1.0 1.8 5.92 2777 2373 A 83 THR H A 20 LEU HDy% 1.0 1.8 5.92 2778 2374 A 21 LYS H A 82 ASP HBx 1.0 1.8 4.97 2779 2374 A 21 LYS H A 82 ASP HBy 1.0 1.8 4.97 2780 2375 A 21 LYS HG2 A 29 VAL HGy% 1.0 1.8 3.06 2781 2375 A 21 LYS HG2 A 29 VAL HGx% 1.0 1.8 3.06 2782 2376 A 21 LYS HG3 A 29 VAL HGy% 1.0 1.8 4.63 2783 2376 A 21 LYS HG3 A 29 VAL HGx% 1.0 1.8 4.63 2784 2377 A 21 LYS HDy A 29 VAL HGy% 1.0 1.8 2.82 2785 2377 A 21 LYS HDx A 29 VAL HGy% 1.0 1.8 2.82 2786 2377 A 29 VAL HGx% A 21 LYS HDx 1.0 1.8 2.82 2787 2377 A 21 LYS HDy A 29 VAL HGx% 1.0 1.8 2.82 2788 2378 A 21 LYS HE3 A 29 VAL HGy% 1.0 1.8 3.81 2789 2378 A 21 LYS HE3 A 29 VAL HGx% 1.0 1.8 3.81 2790 2379 A 22 VAL H A 29 VAL HGy% 1.0 1.8 3.65 2791 2379 A 22 VAL H A 29 VAL HGx% 1.0 1.8 3.65 2792 2380 A 22 VAL HGx% A 29 VAL HGy% 1.0 1.8 4.77 2793 2380 A 22 VAL HGx% A 29 VAL HGx% 1.0 1.8 4.77 2794 2381 A 23 ALA HA A 29 VAL HGy% 1.0 1.8 3.33 2795 2381 A 23 ALA HA A 29 VAL HGx% 1.0 1.8 3.33 2796 2382 A 23 ALA HB% A 29 VAL HGy% 1.0 1.8 2.87 2797 2382 A 23 ALA HB% A 29 VAL HGx% 1.0 1.8 2.87 2798 2383 A 24 GLY H A 29 VAL HGy% 1.0 1.8 3.43 2799 2383 A 24 GLY H A 29 VAL HGx% 1.0 1.8 3.43 2800 2384 A 24 GLY HA3 A 29 VAL HGy% 1.0 1.8 5.83 2801 2384 A 24 GLY HA3 A 29 VAL HGx% 1.0 1.8 5.83 2802 2385 A 27 GLY HA2 A 29 VAL HGy% 1.0 1.8 5.88 2803 2385 A 27 GLY HA2 A 29 VAL HGx% 1.0 1.8 5.88 2804 2386 A 27 GLY HA3 A 29 VAL HGy% 1.0 1.8 5.92 2805 2386 A 27 GLY HA3 A 29 VAL HGx% 1.0 1.8 5.92 2806 2387 A 28 SER H A 29 VAL HGy% 1.0 1.8 4.79 2807 2387 A 28 SER H A 29 VAL HGx% 1.0 1.8 4.79 2808 2388 A 28 SER HA A 29 VAL HGy% 1.0 1.8 3.72 2809 2388 A 28 SER HA A 29 VAL HGx% 1.0 1.8 3.72 2810 2389 A 28 SER HB2 A 53 LEU HDx% 1.0 1.8 4.92 2811 2389 A 28 SER HB2 A 53 LEU HDy% 1.0 1.8 4.92 2812 2390 A 28 SER HB3 A 29 VAL HGy% 1.0 1.8 4.96 2813 2390 A 28 SER HB3 A 29 VAL HGx% 1.0 1.8 4.96 2814 2391 A 28 SER HB3 A 53 LEU HDx% 1.0 1.8 4.52 2815 2391 A 28 SER HB3 A 53 LEU HDy% 1.0 1.8 4.52 2816 2392 A 29 VAL H A 29 VAL HGy% 1.0 1.8 3.27 2817 2392 A 29 VAL H A 29 VAL HGx% 1.0 1.8 3.27 2818 2393 A 30 VAL H A 29 VAL HGy% 1.0 1.8 2.98 2819 2393 A 30 VAL H A 29 VAL HGx% 1.0 1.8 2.98 2820 2394 A 30 VAL HA A 29 VAL HGy% 1.0 1.8 3.74 2821 2394 A 30 VAL HA A 29 VAL HGx% 1.0 1.8 3.74 2822 2395 A 31 GLN H A 29 VAL HGy% 1.0 1.8 4.98 2823 2395 A 31 GLN H A 29 VAL HGx% 1.0 1.8 4.98 2824 2396 A 32 PHE HE% A 29 VAL HGy% 1.0 1.8 5.15 2825 2396 A 32 PHE HE% A 29 VAL HGx% 1.0 1.8 5.15 2826 2397 A 83 THR HG2% A 29 VAL HGy% 1.0 1.8 3.47 2827 2397 A 83 THR HG2% A 29 VAL HGx% 1.0 1.8 3.47 2828 2398 A 35 LYS HBx A 35 LYS HEy 1.0 1.8 4.80 2829 2398 A 35 LYS HBx A 35 LYS HEx 1.0 1.8 4.80 2830 2399 A 35 LYS HGy A 35 LYS HEy 1.0 1.8 3.36 2831 2399 A 35 LYS HGy A 35 LYS HEx 1.0 1.8 3.36 2832 2400 A 35 LYS HGx A 35 LYS HEy 1.0 1.8 3.27 2833 2400 A 35 LYS HGx A 35 LYS HEx 1.0 1.8 3.27 2834 2401 A 36 ARG H A 35 LYS HEy 1.0 1.8 5.41 2835 2401 A 36 ARG H A 35 LYS HEx 1.0 1.8 5.41 2836 2402 A 37 HIS H A 35 LYS HEy 1.0 1.8 4.64 2837 2402 A 37 HIS H A 35 LYS HEx 1.0 1.8 4.64 2838 2403 A 36 ARG H A 36 ARG HDx 1.0 1.8 4.63 2839 2403 A 36 ARG H A 36 ARG HDy 1.0 1.8 4.63 2840 2404 A 36 ARG H A 37 HIS HBy 1.0 1.8 5.33 2841 2404 A 36 ARG H A 37 HIS HBx 1.0 1.8 5.33 2842 2405 A 36 ARG HA A 36 ARG HGx 1.0 1.8 3.54 2843 2405 A 36 ARG HA A 36 ARG HGy 1.0 1.8 3.54 2844 2406 A 36 ARG HA A 36 ARG HDx 1.0 1.8 4.53 2845 2406 A 36 ARG HA A 36 ARG HDy 1.0 1.8 4.53 2846 2407 A 36 ARG HB2 A 36 ARG HDx 1.0 1.8 3.58 2847 2407 A 36 ARG HB2 A 36 ARG HDy 1.0 1.8 3.58 2848 2408 A 36 ARG HB3 A 36 ARG HDx 1.0 1.8 3.42 2849 2408 A 36 ARG HB3 A 36 ARG HDy 1.0 1.8 3.42 2850 2409 A 36 ARG HE A 36 ARG HGx 1.0 1.8 3.23 2851 2409 A 36 ARG HE A 36 ARG HGy 1.0 1.8 3.23 2852 2410 A 74 ALA HB% A 36 ARG HGx 1.0 1.8 3.01 2853 2410 A 74 ALA HB% A 36 ARG HGy 1.0 1.8 3.01 2854 2411 A 75 GLN H A 36 ARG HGx 1.0 1.8 5.81 2855 2411 A 75 GLN H A 36 ARG HGy 1.0 1.8 5.81 2856 2412 A 37 HIS H A 36 ARG HDx 1.0 1.8 5.48 2857 2412 A 37 HIS H A 36 ARG HDy 1.0 1.8 5.48 2858 2413 A 74 ALA HB% A 36 ARG HDx 1.0 1.8 4.22 2859 2413 A 74 ALA HB% A 36 ARG HDy 1.0 1.8 4.22 2860 2414 A 40 LEU HDx% A 76 LEU HDx% 1.0 1.8 3.06 2861 2414 A 40 LEU HDx% A 76 LEU HDy% 1.0 1.8 3.06 2862 2415 A 40 LEU HDy% A 76 LEU HDx% 1.0 1.8 3.88 2863 2415 A 40 LEU HDy% A 76 LEU HDy% 1.0 1.8 3.88 2864 2416 A 41 SER H A 42 LYS HGx 1.0 1.8 4.82 2865 2416 A 41 SER H A 42 LYS HGy 1.0 1.8 4.82 2866 2417 A 41 SER HA A 44 MET HGx 1.0 1.8 4.50 2867 2417 A 41 SER HA A 44 MET HGy 1.0 1.8 4.50 2868 2418 A 42 LYS H A 42 LYS HGx 1.0 1.8 3.03 2869 2418 A 42 LYS H A 42 LYS HGy 1.0 1.8 3.03 2870 2419 A 42 LYS HA A 42 LYS HGx 1.0 1.8 3.34 2871 2419 A 42 LYS HA A 42 LYS HGy 1.0 1.8 3.34 2872 2420 A 42 LYS HEx A 42 LYS HGx 1.0 1.8 3.39 2873 2420 A 42 LYS HEy A 42 LYS HGx 1.0 1.8 3.39 2874 2420 A 42 LYS HGy A 42 LYS HEx 1.0 1.8 3.39 2875 2420 A 42 LYS HEy A 42 LYS HGy 1.0 1.8 3.39 2876 2421 A 43 LEU H A 42 LYS HGx 1.0 1.8 4.99 2877 2421 A 43 LEU H A 42 LYS HGy 1.0 1.8 4.99 2878 2422 A 43 LEU HDx% A 44 MET HGx 1.0 1.8 4.05 2879 2422 A 43 LEU HDx% A 44 MET HGy 1.0 1.8 4.05 2880 2423 A 44 MET H A 44 MET HGx 1.0 1.8 4.81 2881 2423 A 44 MET H A 44 MET HGy 1.0 1.8 4.81 2882 2424 A 44 MET HE% A 44 MET HGx 1.0 1.8 3.23 2883 2424 A 44 MET HE% A 44 MET HGy 1.0 1.8 3.23 2884 2425 A 45 LYS H A 44 MET HGx 1.0 1.8 5.34 2885 2425 A 45 LYS H A 44 MET HGy 1.0 1.8 5.34 2886 2426 A 55 MET HE% A 44 MET HGx 1.0 1.8 4.04 2887 2426 A 55 MET HE% A 44 MET HGy 1.0 1.8 4.04 2888 2427 A 60 PHE HB2 A 44 MET HGx 1.0 1.8 3.89 2889 2427 A 60 PHE HB2 A 44 MET HGy 1.0 1.8 3.89 2890 2428 A 60 PHE HE% A 44 MET HGx 1.0 1.8 3.95 2891 2428 A 60 PHE HE% A 44 MET HGy 1.0 1.8 3.95 2892 2429 A 60 PHE HZ A 44 MET HGx 1.0 1.8 5.22 2893 2429 A 60 PHE HZ A 44 MET HGy 1.0 1.8 5.22 2894 2430 A 45 LYS H A 45 LYS HGx 1.0 1.8 3.16 2895 2430 A 45 LYS H A 45 LYS HGy 1.0 1.8 3.16 2896 2431 A 45 LYS HA A 45 LYS HGx 1.0 1.8 3.27 2897 2431 A 45 LYS HA A 45 LYS HGy 1.0 1.8 3.27 2898 2432 A 45 LYS HA A 48 CYS HBx 1.0 1.8 3.78 2899 2432 A 45 LYS HA A 48 CYS HBy 1.0 1.8 3.78 2900 2433 A 45 LYS HEy A 45 LYS HGx 1.0 1.8 3.26 2901 2433 A 45 LYS HEx A 45 LYS HGx 1.0 1.8 3.26 2902 2433 A 45 LYS HGy A 45 LYS HEx 1.0 1.8 3.26 2903 2433 A 45 LYS HEy A 45 LYS HGy 1.0 1.8 3.26 2904 2434 A 46 ALA H A 45 LYS HGx 1.0 1.8 4.73 2905 2434 A 46 ALA H A 45 LYS HGy 1.0 1.8 4.73 2906 2435 A 45 LYS HGx A 55 MET HGx 1.0 1.8 4.29 2907 2435 A 45 LYS HGy A 55 MET HGx 1.0 1.8 4.29 2908 2435 A 55 MET HGy A 45 LYS HGx 1.0 1.8 4.29 2909 2435 A 55 MET HGy A 45 LYS HGy 1.0 1.8 4.29 2910 2436 A 55 MET HE% A 45 LYS HGx 1.0 1.8 3.81 2911 2436 A 55 MET HE% A 45 LYS HGy 1.0 1.8 3.81 2912 2437 A 47 TYR H A 48 CYS HBx 1.0 1.8 5.12 2913 2437 A 47 TYR H A 48 CYS HBy 1.0 1.8 5.12 2914 2438 A 47 TYR HD% A 48 CYS HBx 1.0 1.8 3.67 2915 2438 A 47 TYR HD% A 48 CYS HBy 1.0 1.8 3.67 2916 2439 A 47 TYR HD% A 53 LEU HDx% 1.0 1.8 4.18 2917 2439 A 47 TYR HD% A 53 LEU HDy% 1.0 1.8 4.18 2918 2440 A 47 TYR HE% A 48 CYS HBx 1.0 1.8 5.50 2919 2440 A 47 TYR HE% A 48 CYS HBy 1.0 1.8 5.50 2920 2441 A 47 TYR HE% A 53 LEU HDx% 1.0 1.8 3.06 2921 2441 A 47 TYR HE% A 53 LEU HDy% 1.0 1.8 3.06 2922 2442 A 48 CYS H A 48 CYS HBx 1.0 1.8 3.13 2923 2442 A 48 CYS H A 48 CYS HBy 1.0 1.8 3.13 2924 2443 A 48 CYS H A 53 LEU HDx% 1.0 1.8 5.60 2925 2443 A 48 CYS H A 53 LEU HDy% 1.0 1.8 5.60 2926 2444 A 48 CYS HA A 53 LEU HDx% 1.0 1.8 3.28 2927 2444 A 48 CYS HA A 53 LEU HDy% 1.0 1.8 3.28 2928 2445 A 49 GLU H A 48 CYS HBx 1.0 1.8 4.25 2929 2445 A 49 GLU H A 48 CYS HBy 1.0 1.8 4.25 2930 2446 A 49 GLU HG2 A 48 CYS HBx 1.0 1.8 5.40 2931 2446 A 49 GLU HG2 A 48 CYS HBy 1.0 1.8 5.40 2932 2447 A 51 GLN H A 48 CYS HBx 1.0 1.8 5.22 2933 2447 A 51 GLN H A 48 CYS HBy 1.0 1.8 5.22 2934 2448 A 52 GLY H A 48 CYS HBx 1.0 1.8 5.39 2935 2448 A 52 GLY H A 48 CYS HBy 1.0 1.8 5.39 2936 2449 A 53 LEU H A 48 CYS HBx 1.0 1.8 3.90 2937 2449 A 53 LEU H A 48 CYS HBy 1.0 1.8 3.90 2938 2450 A 53 LEU HB2 A 48 CYS HBx 1.0 1.8 4.39 2939 2450 A 53 LEU HB2 A 48 CYS HBy 1.0 1.8 4.39 2940 2451 A 48 CYS HBy A 53 LEU HDx% 1.0 1.8 4.74 2941 2451 A 53 LEU HDy% A 48 CYS HBx 1.0 1.8 4.74 2942 2451 A 53 LEU HDy% A 48 CYS HBy 1.0 1.8 4.74 2943 2451 A 48 CYS HBx A 53 LEU HDx% 1.0 1.8 4.74 2944 2452 A 54 SER H A 48 CYS HBx 1.0 1.8 4.80 2945 2452 A 54 SER H A 48 CYS HBy 1.0 1.8 4.80 2946 2453 A 55 MET H A 48 CYS HBx 1.0 1.8 4.81 2947 2453 A 55 MET H A 48 CYS HBy 1.0 1.8 4.81 2948 2454 A 55 MET HA A 48 CYS HBx 1.0 1.8 4.92 2949 2454 A 55 MET HA A 48 CYS HBy 1.0 1.8 4.92 2950 2455 A 55 MET HB3 A 48 CYS HBx 1.0 1.8 5.81 2951 2455 A 55 MET HB3 A 48 CYS HBy 1.0 1.8 5.81 2952 2456 A 48 CYS HBx A 55 MET HGx 1.0 1.8 4.66 2953 2456 A 48 CYS HBy A 55 MET HGx 1.0 1.8 4.66 2954 2456 A 55 MET HGy A 48 CYS HBx 1.0 1.8 4.66 2955 2456 A 55 MET HGy A 48 CYS HBy 1.0 1.8 4.66 2956 2457 A 58 ILE HG13 A 48 CYS HBx 1.0 1.8 5.81 2957 2457 A 58 ILE HG13 A 48 CYS HBy 1.0 1.8 5.81 2958 2458 A 58 ILE HD1% A 48 CYS HBx 1.0 1.8 5.51 2959 2458 A 58 ILE HD1% A 48 CYS HBy 1.0 1.8 5.51 2960 2459 A 51 GLN H A 53 LEU HDx% 1.0 1.8 4.37 2961 2459 A 51 GLN H A 53 LEU HDy% 1.0 1.8 4.37 2962 2460 A 51 GLN HA A 53 LEU HDx% 1.0 1.8 4.05 2963 2460 A 51 GLN HA A 53 LEU HDy% 1.0 1.8 4.05 2964 2461 A 51 GLN HB3 A 53 LEU HDx% 1.0 1.8 4.45 2965 2461 A 51 GLN HB3 A 53 LEU HDy% 1.0 1.8 4.45 2966 2462 A 52 GLY H A 53 LEU HDx% 1.0 1.8 4.70 2967 2462 A 52 GLY H A 53 LEU HDy% 1.0 1.8 4.70 2968 2463 A 53 LEU H A 53 LEU HDx% 1.0 1.8 3.40 2969 2463 A 53 LEU H A 53 LEU HDy% 1.0 1.8 3.40 2970 2464 A 53 LEU HA A 53 LEU HDx% 1.0 1.8 2.91 2971 2464 A 53 LEU HA A 53 LEU HDy% 1.0 1.8 2.91 2972 2465 A 54 SER H A 53 LEU HDx% 1.0 1.8 3.27 2973 2465 A 54 SER H A 53 LEU HDy% 1.0 1.8 3.27 2974 2466 A 54 SER HB2 A 53 LEU HDx% 1.0 1.8 5.67 2975 2466 A 54 SER HB2 A 53 LEU HDy% 1.0 1.8 5.67 2976 2467 A 58 ILE HA A 53 LEU HDx% 1.0 1.8 5.22 2977 2467 A 58 ILE HA A 53 LEU HDy% 1.0 1.8 5.22 2978 2468 A 58 ILE HG2% A 53 LEU HDx% 1.0 1.8 2.92 2979 2468 A 58 ILE HG2% A 53 LEU HDy% 1.0 1.8 2.92 2980 2469 A 88 GLN HGx A 53 LEU HDx% 1.0 1.8 5.07 2981 2469 A 88 GLN HGx A 53 LEU HDy% 1.0 1.8 5.07 2982 2470 A 88 GLN HGy A 53 LEU HDx% 1.0 1.8 4.78 2983 2470 A 88 GLN HGy A 53 LEU HDy% 1.0 1.8 4.78 2984 2471 A 88 GLN HE2x A 53 LEU HDx% 1.0 1.8 3.70 2985 2471 A 88 GLN HE2x A 53 LEU HDy% 1.0 1.8 3.70 2986 2472 A 88 GLN HE2y A 53 LEU HDx% 1.0 1.8 3.60 2987 2472 A 88 GLN HE2y A 53 LEU HDy% 1.0 1.8 3.60 2988 2473 A 57 GLN HA A 90 GLN HE2y 1.0 1.8 4.96 2989 2473 A 57 GLN HA A 90 GLN HE2x 1.0 1.8 4.96 2990 2474 A 58 ILE HB A 59 ARG HBx 1.0 1.8 5.81 2991 2474 A 58 ILE HB A 59 ARG HBy 1.0 1.8 5.81 2992 2475 A 58 ILE HG13 A 59 ARG HDx 1.0 1.8 5.48 2993 2475 A 58 ILE HG13 A 59 ARG HDy 1.0 1.8 5.48 2994 2476 A 59 ARG H A 59 ARG HDx 1.0 1.8 4.67 2995 2476 A 59 ARG H A 59 ARG HDy 1.0 1.8 4.67 2996 2477 A 59 ARG HA A 59 ARG HDx 1.0 1.8 3.43 2997 2477 A 59 ARG HA A 59 ARG HDy 1.0 1.8 3.43 2998 2478 A 59 ARG HBy A 59 ARG HDx 1.0 1.8 3.28 2999 2478 A 59 ARG HBx A 59 ARG HDx 1.0 1.8 3.28 3000 2478 A 59 ARG HDy A 59 ARG HBx 1.0 1.8 3.28 3001 2478 A 59 ARG HBy A 59 ARG HDy 1.0 1.8 3.28 3002 2479 A 60 PHE H A 59 ARG HBx 1.0 1.8 4.09 3003 2479 A 60 PHE H A 59 ARG HBy 1.0 1.8 4.09 3004 2480 A 87 PHE H A 59 ARG HBx 1.0 1.8 4.43 3005 2480 A 87 PHE H A 59 ARG HBy 1.0 1.8 4.43 3006 2481 A 89 GLN HE2y A 59 ARG HBx 1.0 1.8 5.42 3007 2481 A 89 GLN HE2y A 59 ARG HBy 1.0 1.8 5.42 3008 2482 A 89 GLN HE2x A 59 ARG HBx 1.0 1.8 4.28 3009 2482 A 89 GLN HE2x A 59 ARG HBy 1.0 1.8 4.28 3010 2483 A 60 PHE H A 59 ARG HDx 1.0 1.8 3.99 3011 2483 A 60 PHE H A 59 ARG HDy 1.0 1.8 3.99 3012 2484 A 60 PHE HB2 A 59 ARG HDx 1.0 1.8 4.48 3013 2484 A 60 PHE HB2 A 59 ARG HDy 1.0 1.8 4.48 3014 2485 A 60 PHE HD% A 59 ARG HDx 1.0 1.8 4.65 3015 2485 A 60 PHE HD% A 59 ARG HDy 1.0 1.8 4.65 3016 2486 A 86 VAL HGx% A 59 ARG HDx 1.0 1.8 5.81 3017 2486 A 86 VAL HGx% A 59 ARG HDy 1.0 1.8 5.81 3018 2487 A 62 PHE HD% A 76 LEU HDx% 1.0 1.8 3.50 3019 2487 A 62 PHE HD% A 76 LEU HDy% 1.0 1.8 3.50 3020 2488 A 65 GLN H A 65 GLN HBy 1.0 1.8 3.12 3021 2488 A 65 GLN H A 65 GLN HBx 1.0 1.8 3.12 3022 2489 A 65 GLN HE21 A 65 GLN HBy 1.0 1.8 4.29 3023 2489 A 65 GLN HE21 A 65 GLN HBx 1.0 1.8 4.29 3024 2490 A 65 GLN HE22 A 65 GLN HBy 1.0 1.8 4.50 3025 2490 A 65 GLN HE22 A 65 GLN HBx 1.0 1.8 4.50 3026 2491 A 66 PRO HD2 A 65 GLN HBy 1.0 1.8 3.29 3027 2491 A 66 PRO HD2 A 65 GLN HBx 1.0 1.8 3.29 3028 2492 A 66 PRO HD3 A 65 GLN HBy 1.0 1.8 4.03 3029 2492 A 66 PRO HD3 A 65 GLN HBx 1.0 1.8 4.03 3030 2493 A 65 GLN HG2 A 76 LEU HDx% 1.0 1.8 5.55 3031 2493 A 65 GLN HG2 A 76 LEU HDy% 1.0 1.8 5.55 3032 2494 A 65 GLN HE21 A 76 LEU HDx% 1.0 1.8 4.34 3033 2494 A 65 GLN HE21 A 76 LEU HDy% 1.0 1.8 4.34 3034 2495 A 65 GLN HE22 A 76 LEU HDx% 1.0 1.8 4.26 3035 2495 A 65 GLN HE22 A 76 LEU HDy% 1.0 1.8 4.26 3036 2496 A 71 ASP HB2 A 76 LEU HDx% 1.0 1.8 4.54 3037 2496 A 71 ASP HB2 A 76 LEU HDy% 1.0 1.8 4.54 3038 2497 A 71 ASP HB3 A 76 LEU HDx% 1.0 1.8 5.76 3039 2497 A 71 ASP HB3 A 76 LEU HDy% 1.0 1.8 5.76 3040 2498 A 73 PRO HA A 76 LEU HDx% 1.0 1.8 3.60 3041 2498 A 73 PRO HA A 76 LEU HDy% 1.0 1.8 3.60 3042 2499 A 73 PRO HB2 A 76 LEU HDx% 1.0 1.8 4.14 3043 2499 A 73 PRO HB2 A 76 LEU HDy% 1.0 1.8 4.14 3044 2500 A 73 PRO HB3 A 76 LEU HDx% 1.0 1.8 4.22 3045 2500 A 73 PRO HB3 A 76 LEU HDy% 1.0 1.8 4.22 3046 2501 A 74 ALA H A 76 LEU HDx% 1.0 1.8 4.94 3047 2501 A 74 ALA H A 76 LEU HDy% 1.0 1.8 4.94 3048 2502 A 74 ALA HA A 76 LEU HDx% 1.0 1.8 4.35 3049 2502 A 74 ALA HA A 76 LEU HDy% 1.0 1.8 4.35 3050 2503 A 75 GLN H A 75 GLN HE2x 1.0 1.8 4.82 3051 2503 A 75 GLN H A 75 GLN HE2y 1.0 1.8 4.82 3052 2504 A 75 GLN H A 76 LEU HDx% 1.0 1.8 5.54 3053 2504 A 75 GLN H A 76 LEU HDy% 1.0 1.8 5.54 3054 2505 A 75 GLN HA A 75 GLN HE2x 1.0 1.8 4.84 3055 2505 A 75 GLN HE2y A 75 GLN HA 1.0 1.8 4.84 3056 2506 A 75 GLN HA A 76 LEU HDx% 1.0 1.8 4.97 3057 2506 A 75 GLN HA A 76 LEU HDy% 1.0 1.8 4.97 3058 2507 A 75 GLN HBx A 75 GLN HE2x 1.0 1.8 4.87 3059 2507 A 75 GLN HBx A 75 GLN HE2y 1.0 1.8 4.87 3060 2508 A 75 GLN HBy A 76 LEU HDx% 1.0 1.8 4.91 3061 2508 A 75 GLN HBy A 76 LEU HDy% 1.0 1.8 4.91 3062 2509 A 75 GLN HGy A 75 GLN HE2x 1.0 1.8 3.02 3063 2509 A 75 GLN HE2y A 75 GLN HGx 1.0 1.8 3.02 3064 2509 A 75 GLN HGy A 75 GLN HE2y 1.0 1.8 3.02 3065 2509 A 75 GLN HE2x A 75 GLN HGx 1.0 1.8 3.02 3066 2510 A 76 LEU H A 76 LEU HDx% 1.0 1.8 3.18 3067 2510 A 76 LEU H A 76 LEU HDy% 1.0 1.8 3.18 3068 2511 A 76 LEU HA A 76 LEU HDx% 1.0 1.8 3.34 3069 2511 A 76 LEU HA A 76 LEU HDy% 1.0 1.8 3.34 3070 2512 A 76 LEU HBy A 76 LEU HDx% 1.0 1.8 3.09 3071 2512 A 76 LEU HBy A 76 LEU HDy% 1.0 1.8 3.09 3072 2513 A 77 GLU H A 76 LEU HDx% 1.0 1.8 3.95 3073 2513 A 77 GLU H A 76 LEU HDy% 1.0 1.8 3.95 3074 2514 A 77 GLU HA A 76 LEU HDx% 1.0 1.8 4.95 3075 2514 A 77 GLU HA A 76 LEU HDy% 1.0 1.8 4.95 3076 2515 A 78 MET H A 76 LEU HDx% 1.0 1.8 4.33 3077 2515 A 78 MET H A 76 LEU HDy% 1.0 1.8 4.33 3078 2516 A 78 MET HA A 76 LEU HDx% 1.0 1.8 4.69 3079 2516 A 78 MET HA A 76 LEU HDy% 1.0 1.8 4.69 3080 2517 A 78 MET HG3 A 76 LEU HDx% 1.0 1.8 3.37 3081 2517 A 78 MET HG3 A 76 LEU HDy% 1.0 1.8 3.37 3082 2518 A 78 MET HE% A 76 LEU HDx% 1.0 1.8 2.49 3083 2518 A 78 MET HE% A 76 LEU HDy% 1.0 1.8 2.49 3084 2519 A 78 MET HA A 82 ASP HBx 1.0 1.8 5.23 3085 2519 A 78 MET HA A 82 ASP HBy 1.0 1.8 5.23 3086 2520 A 78 MET HG2 A 82 ASP HBx 1.0 1.8 4.29 3087 2520 A 78 MET HG2 A 82 ASP HBy 1.0 1.8 4.29 3088 2521 A 79 GLU H A 79 GLU HGx 1.0 1.8 3.57 3089 2521 A 79 GLU H A 79 GLU HGy 1.0 1.8 3.57 3090 2522 A 79 GLU H A 82 ASP HBx 1.0 1.8 3.94 3091 2522 A 79 GLU H A 82 ASP HBy 1.0 1.8 3.94 3092 2523 A 79 GLU HA A 82 ASP HBx 1.0 1.8 4.65 3093 2523 A 79 GLU HA A 82 ASP HBy 1.0 1.8 4.65 3094 2524 A 80 ASP H A 79 GLU HBx 1.0 1.8 3.48 3095 2524 A 80 ASP H A 79 GLU HBy 1.0 1.8 3.48 3096 2525 A 79 GLU HBy A 82 ASP HBx 1.0 1.8 4.01 3097 2525 A 79 GLU HBx A 82 ASP HBx 1.0 1.8 4.01 3098 2525 A 82 ASP HBy A 79 GLU HBx 1.0 1.8 4.01 3099 2525 A 82 ASP HBy A 79 GLU HBy 1.0 1.8 4.01 3100 2526 A 79 GLU HGx A 82 ASP HBx 1.0 1.8 4.17 3101 2526 A 79 GLU HGy A 82 ASP HBx 1.0 1.8 4.17 3102 2526 A 82 ASP HBy A 79 GLU HGx 1.0 1.8 4.17 3103 2526 A 82 ASP HBy A 79 GLU HGy 1.0 1.8 4.17 3104 2527 A 81 GLU H A 82 ASP HBx 1.0 1.8 4.79 3105 2527 A 81 GLU H A 82 ASP HBy 1.0 1.8 4.79 3106 2528 A 81 GLU HA A 82 ASP HBx 1.0 1.8 5.20 3107 2528 A 81 GLU HA A 82 ASP HBy 1.0 1.8 5.20 3108 2529 A 83 THR HA A 82 ASP HBx 1.0 1.8 5.81 3109 2529 A 83 THR HA A 82 ASP HBy 1.0 1.8 5.81 3110 2530 A 89 GLN H A 89 GLN HBy 1.0 1.8 3.65 3111 2530 A 89 GLN H A 89 GLN HBx 1.0 1.8 3.65 3112 2531 A 89 GLN HA A 89 GLN HBy 1.0 1.8 2.53 3113 2531 A 89 GLN HA A 89 GLN HBx 1.0 1.8 2.53 3114 2532 A 89 GLN HE2y A 89 GLN HBy 1.0 1.8 4.14 3115 2532 A 89 GLN HE2y A 89 GLN HBx 1.0 1.8 4.14 3116 2533 A 90 GLN H A 89 GLN HBy 1.0 1.8 4.24 3117 2533 A 90 GLN H A 89 GLN HBx 1.0 1.8 4.24 3118 2534 A 90 GLN H A 90 GLN HE2y 1.0 1.8 4.74 3119 2534 A 90 GLN H A 90 GLN HE2x 1.0 1.8 4.74 3120 2535 A 90 GLN HBx A 90 GLN HE2y 1.0 1.8 4.58 3121 2535 A 90 GLN HBy A 90 GLN HE2y 1.0 1.8 4.58 3122 2535 A 90 GLN HE2x A 90 GLN HBx 1.0 1.8 4.58 3123 2535 A 90 GLN HBy A 90 GLN HE2x 1.0 1.8 4.58 3124 2536 A 90 GLN HE2x A 90 GLN HGx 1.0 1.8 3.12 3125 2536 A 90 GLN HE2y A 90 GLN HGx 1.0 1.8 3.12 3126 2536 A 90 GLN HGy A 90 GLN HE2y 1.0 1.8 3.12 3127 2536 A 90 GLN HGy A 90 GLN HE2x 1.0 1.8 3.12 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 46 ALA H A 42 LYS O 1.0 1.8 2.22 6 6 A 42 LYS O A 46 ALA N 1.0 1.8 3.13 7 7 A 47 TYR H A 43 LEU O 1.0 1.8 2.22 8 8 A 43 LEU O A 47 TYR N 1.0 1.8 3.13 9 9 A 49 GLU H A 45 LYS O 1.0 1.8 2.22 10 10 A 45 LYS O A 49 GLU N 1.0 1.8 3.13 11 11 A 50 ARG H A 46 ALA O 1.0 1.8 2.22 12 12 A 46 ALA O A 50 ARG N 1.0 1.8 3.13 13 13 A 51 GLN H A 47 TYR O 1.0 1.8 2.22 14 14 A 47 TYR O A 51 GLN N 1.0 1.8 3.13 15 15 A 18 ILE H A 34 ILE O 1.0 1.8 2.12 16 16 A 34 ILE O A 18 ILE N 1.0 1.8 3.05 17 17 A 20 LEU H A 32 PHE O 1.0 1.8 2.12 18 18 A 32 PHE O A 20 LEU N 1.0 1.8 3.05 19 19 A 22 VAL H A 30 VAL O 1.0 1.8 2.12 20 20 A 30 VAL O A 22 VAL N 1.0 1.8 3.05 21 21 A 24 GLY H A 28 SER O 1.0 1.8 2.12 22 22 A 28 SER O A 24 GLY N 1.0 1.8 3.05 23 23 A 27 GLY H A 24 GLY O 1.0 1.8 2.12 24 24 A 24 GLY O A 27 GLY N 1.0 1.8 3.05 25 25 A 30 VAL H A 22 VAL O 1.0 1.8 2.12 26 26 A 22 VAL O A 30 VAL N 1.0 1.8 3.05 27 27 A 32 PHE H A 20 LEU O 1.0 1.8 2.12 28 28 A 20 LEU O A 32 PHE N 1.0 1.8 3.05 29 29 A 34 ILE H A 18 ILE O 1.0 1.8 2.12 30 30 A 18 ILE O A 34 ILE N 1.0 1.8 3.05 31 31 A 21 LYS H A 82 ASP O 1.0 1.8 2.12 32 32 A 82 ASP O A 21 LYS N 1.0 1.8 3.05 33 33 A 23 ALA H A 84 ILE O 1.0 1.8 2.12 34 34 A 84 ILE O A 23 ALA N 1.0 1.8 3.05 35 35 A 81 GLU H A 19 ASN O 1.0 1.8 2.12 36 36 A 19 ASN O A 81 GLU N 1.0 1.8 3.05 37 37 A 84 ILE H A 21 LYS O 1.0 1.8 2.12 38 38 A 21 LYS O A 84 ILE N 1.0 1.8 3.05 39 39 A 86 VAL H A 23 ALA O 1.0 1.8 2.12 40 40 A 23 ALA O A 86 VAL N 1.0 1.8 3.05 41 41 A 62 PHE H A 65 GLN O 1.0 1.8 2.12 42 42 A 65 GLN O A 62 PHE N 1.0 1.8 3.05 43 43 A 67 ILE H A 60 PHE O 1.0 1.8 2.12 44 44 A 60 PHE O A 67 ILE N 1.0 1.8 3.05 45 45 A 85 ASP H A 61 ARG O 1.0 1.8 2.12 46 46 A 61 ARG O A 85 ASP N 1.0 1.8 3.05 47 47 A 87 PHE H A 59 ARG O 1.0 1.8 2.12 48 48 A 59 ARG O A 87 PHE N 1.0 1.8 3.05 49 49 A 59 ARG H A 87 PHE O 1.0 1.8 2.12 50 50 A 87 PHE O A 59 ARG N 1.0 1.8 3.05 51 51 A 61 ARG H A 85 ASP O 1.0 1.8 2.12 52 52 A 85 ASP O A 61 ARG N 1.0 1.8 3.05 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 -166.3 -95.5 PHI 8 8 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 LYS N 1.0 125.5 170.5 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 -160.8 -103.8 PHI 28 28 A 32 PHE N A 32 PHE CA A 32 PHE C A 33 LYS N 1.0 119.0 166.2 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 -172.3 -91.8 PHI 32 32 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 LYS N 1.0 108.0 186.9 PSI 33 33 A 34 ILE C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -100.5 -57.8 PHI 34 34 A 35 LYS N A 35 LYS CA A 35 LYS C A 36 ARG N 1.0 124.2 204.1 PSI 35 35 A 35 LYS C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -71.1 -41.8 PHI 36 36 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 HIS N 1.0 -51.6 -7.0 PSI 37 37 A 36 ARG C A 37 HIS N A 37 HIS CA A 37 HIS C 1.0 -130.8 -61.9 PHI 38 38 A 37 HIS N A 37 HIS CA A 37 HIS C A 38 THR N 1.0 -29.3 23.6 PSI 39 39 A 39 PRO C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -64.6 -44.1 PHI 40 40 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 SER N 1.0 -57.3 -18.0 PSI 41 41 A 40 LEU C A 41 SER N A 41 SER CA A 41 SER C 1.0 -71.0 -51.0 PHI 42 42 A 41 SER N A 41 SER CA A 41 SER C A 42 LYS N 1.0 -54.8 -28.7 PSI 43 43 A 41 SER C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -77.3 -56.7 PHI 44 44 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 LEU N 1.0 -51.9 -19.3 PSI 45 45 A 42 LYS C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -74.2 -54.2 PHI 46 46 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 MET N 1.0 -53.0 -33.0 PSI 47 47 A 43 LEU C A 44 MET N A 44 MET CA A 44 MET C 1.0 -71.0 -50.5 PHI 48 48 A 44 MET N A 44 MET CA A 44 MET C A 45 LYS N 1.0 -53.1 -30.2 PSI 49 49 A 44 MET C A 45 LYS N A 45 LYS CA A 45 LYS C 1.0 -70.0 -50.0 PHI 50 50 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 ALA N 1.0 -60.0 -27.7 PSI 51 51 A 45 LYS C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -77.6 -54.4 PHI 52 52 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 TYR N 1.0 -60.5 -17.4 PSI 53 53 A 46 ALA C A 47 TYR N A 47 TYR CA A 47 TYR C 1.0 -75.5 -55.5 PHI 54 54 A 47 TYR N A 47 TYR CA A 47 TYR C A 48 CYS N 1.0 -55.2 -31.1 PSI 55 55 A 47 TYR C A 48 CYS N A 48 CYS CA A 48 CYS C 1.0 -71.5 -51.5 PHI 56 56 A 48 CYS N A 48 CYS CA A 48 CYS C A 49 GLU N 1.0 -54.7 -34.7 PSI 57 57 A 48 CYS C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -73.3 -51.4 PHI 58 58 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 ARG N 1.0 -58.4 -29.6 PSI 59 59 A 49 GLU C A 50 ARG N A 50 ARG CA A 50 ARG C 1.0 -92.3 -46.1 PHI 60 60 A 50 ARG N A 50 ARG CA A 50 ARG C A 51 GLN N 1.0 -68.7 -4.5 PSI 61 61 A 50 ARG C A 51 GLN N A 51 GLN CA A 51 GLN C 1.0 -126.9 -71.3 PHI 62 62 A 51 GLN N A 51 GLN CA A 51 GLN C A 52 GLY N 1.0 -21.3 16.8 PSI 63 63 A 51 GLN C A 52 GLY N A 52 GLY CA A 52 GLY C 1.0 53.4 93.5 PHI 64 64 A 52 GLY N A 52 GLY CA A 52 GLY C A 53 LEU N 1.0 3.0 56.2 PSI 65 65 A 52 GLY C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -145.8 -76.0 PHI 66 66 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 SER N 1.0 130.7 175.2 PSI 67 67 A 53 LEU C A 54 SER N A 54 SER CA A 54 SER C 1.0 -124.8 -35.0 PHI 68 68 A 54 SER N A 54 SER CA A 54 SER C A 55 MET N 1.0 102.1 167.0 PSI 69 69 A 54 SER C A 55 MET N A 55 MET CA A 55 MET C 1.0 -79.3 -44.7 PHI 70 70 A 55 MET N A 55 MET CA A 55 MET C A 56 ARG N 1.0 -49.3 -10.0 PSI 71 71 A 55 MET C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -83.1 -59.0 PHI 72 72 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 GLN N 1.0 -56.4 14.5 PSI 73 73 A 56 ARG C A 57 GLN N A 57 GLN CA A 57 GLN C 1.0 -129.3 -74.1 PHI 74 74 A 57 GLN N A 57 GLN CA A 57 GLN C A 58 ILE N 1.0 -53.9 37.8 PSI 75 75 A 57 GLN C A 58 ILE N A 58 ILE CA A 58 ILE C 1.0 -167.1 -81.9 PHI 76 76 A 58 ILE N A 58 ILE CA A 58 ILE C A 59 ARG N 1.0 104.1 193.8 PSI 77 77 A 58 ILE C A 59 ARG N A 59 ARG CA A 59 ARG C 1.0 -169.5 -102.6 PHI 78 78 A 59 ARG N A 59 ARG CA A 59 ARG C A 60 PHE N 1.0 110.4 174.1 PSI 79 79 A 59 ARG C A 60 PHE N A 60 PHE CA A 60 PHE C 1.0 -140.8 -79.8 PHI 80 80 A 60 PHE N A 60 PHE CA A 60 PHE C A 61 ARG N 1.0 122.6 149.9 PSI 81 81 A 60 PHE C A 61 ARG N A 61 ARG CA A 61 ARG C 1.0 -172.5 -102.1 PHI 82 82 A 61 ARG N A 61 ARG CA A 61 ARG C A 62 PHE N 1.0 121.2 176.7 PSI 83 83 A 61 ARG C A 62 PHE N A 62 PHE CA A 62 PHE C 1.0 -173.5 -103.2 PHI 84 84 A 62 PHE N A 62 PHE CA A 62 PHE C A 63 ASP N 1.0 105.9 146.6 PSI 85 85 A 62 PHE C A 63 ASP N A 63 ASP CA A 63 ASP C 1.0 37.6 69.4 PHI 86 86 A 63 ASP N A 63 ASP CA A 63 ASP C A 64 GLY N 1.0 26.5 58.9 PSI 87 87 A 63 ASP C A 64 GLY N A 64 GLY CA A 64 GLY C 1.0 54.3 102.2 PHI 88 88 A 64 GLY N A 64 GLY CA A 64 GLY C A 65 GLN N 1.0 -31.2 37.6 PSI 89 89 A 64 GLY C A 65 GLN N A 65 GLN CA A 65 GLN C 1.0 -141.8 -61.6 PHI 90 90 A 65 GLN N A 65 GLN CA A 65 GLN C A 66 PRO N 1.0 86.3 166.2 PSI 91 91 A 66 PRO C A 67 ILE N A 67 ILE CA A 67 ILE C 1.0 -147.0 -68.6 PHI 92 92 A 67 ILE N A 67 ILE CA A 67 ILE C A 68 ASN N 1.0 102.2 181.9 PSI 93 93 A 67 ILE C A 68 ASN N A 68 ASN CA A 68 ASN C 1.0 -141.0 -52.9 PHI 94 94 A 68 ASN N A 68 ASN CA A 68 ASN C A 69 GLU N 1.0 140.4 200.0 PSI 95 95 A 68 ASN C A 69 GLU N A 69 GLU CA A 69 GLU C 1.0 -80.3 -33.9 PHI 96 96 A 69 GLU N A 69 GLU CA A 69 GLU C A 70 THR N 1.0 -56.3 3.3 PSI 97 97 A 69 GLU C A 70 THR N A 70 THR CA A 70 THR C 1.0 -139.8 -55.4 PHI 98 98 A 70 THR N A 70 THR CA A 70 THR C A 71 ASP N 1.0 -28.4 16.1 PSI 99 99 A 73 PRO C A 74 ALA N A 74 ALA CA A 74 ALA C 1.0 -94.8 -43.4 PHI 100 100 A 74 ALA N A 74 ALA CA A 74 ALA C A 75 GLN N 1.0 -58.4 -10.9 PSI 101 101 A 74 ALA C A 75 GLN N A 75 GLN CA A 75 GLN C 1.0 -85.8 -47.6 PHI 102 102 A 75 GLN N A 75 GLN CA A 75 GLN C A 76 LEU N 1.0 -54.5 -6.1 PSI 103 103 A 75 GLN C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -108.6 -76.4 PHI 104 104 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 GLU N 1.0 -14.0 32.5 PSI 105 105 A 76 LEU C A 77 GLU N A 77 GLU CA A 77 GLU C 1.0 43.8 71.9 PHI 106 106 A 77 GLU N A 77 GLU CA A 77 GLU C A 78 MET N 1.0 10.8 62.1 PSI 107 107 A 78 MET C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -163.7 -75.8 PHI 108 108 A 79 GLU N A 79 GLU CA A 79 GLU C A 80 ASP N 1.0 139.8 196.5 PSI 109 109 A 80 ASP C A 81 GLU N A 81 GLU CA A 81 GLU C 1.0 42.0 95.3 PHI 110 110 A 81 GLU N A 81 GLU CA A 81 GLU C A 82 ASP N 1.0 0.6 52.8 PSI 111 111 A 82 ASP C A 83 THR N A 83 THR CA A 83 THR C 1.0 -156.5 -75.0 PHI 112 112 A 83 THR N A 83 THR CA A 83 THR C A 84 ILE N 1.0 88.4 178.7 PSI 113 113 A 83 THR C A 84 ILE N A 84 ILE CA A 84 ILE C 1.0 -154.8 -80.8 PHI 114 114 A 84 ILE N A 84 ILE CA A 84 ILE C A 85 ASP N 1.0 110.8 155.0 PSI 115 115 A 84 ILE C A 85 ASP N A 85 ASP CA A 85 ASP C 1.0 -161.0 -84.5 PHI 116 116 A 85 ASP N A 85 ASP CA A 85 ASP C A 86 VAL N 1.0 97.1 179.3 PSI 117 117 A 85 ASP C A 86 VAL N A 86 VAL CA A 86 VAL C 1.0 -152.2 -102.4 PHI 118 118 A 86 VAL N A 86 VAL CA A 86 VAL C A 87 PHE N 1.0 115.2 171.5 PSI 119 119 A 86 VAL C A 87 PHE N A 87 PHE CA A 87 PHE C 1.0 -165.4 -75.7 PHI 120 120 A 87 PHE N A 87 PHE CA A 87 PHE C A 88 GLN N 1.0 108.0 167.3 PSI 121 121 A 87 PHE C A 88 GLN N A 88 GLN CA A 88 GLN C 1.0 -131.6 -47.3 PHI 122 122 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 13 GLU N A 13 GLU H 1.0 . . . 8 8 A 14 ASN N A 14 ASN H 1.0 . . . 9 9 A 16 ASP N A 16 ASP H 1.0 . . . 10 10 A 17 HIS N A 17 HIS H 1.0 . . . 11 11 A 18 ILE N A 18 ILE H 1.0 . . . 12 12 A 22 VAL N A 22 VAL H 1.0 . . . 13 13 A 23 ALA N A 23 ALA H 1.0 . . . 14 14 A 27 GLY N A 27 GLY H 1.0 . . . 15 15 A 28 SER N A 28 SER H 1.0 . . . 16 16 A 29 VAL N A 29 VAL H 1.0 . . . 17 17 A 30 VAL N A 30 VAL H 1.0 . . . 18 18 A 31 GLN N A 31 GLN H 1.0 . . . 19 19 A 37 HIS N A 37 HIS H 1.0 . . . 20 20 A 38 THR N A 38 THR H 1.0 . . . 21 21 A 42 LYS N A 42 LYS H 1.0 . . . 22 22 A 43 LEU N A 43 LEU H 1.0 . . . 23 23 A 46 ALA N A 46 ALA H 1.0 . . . 24 24 A 47 TYR N A 47 TYR H 1.0 . . . 25 25 A 51 GLN N A 51 GLN H 1.0 . . . 26 26 A 52 GLY N A 52 GLY H 1.0 . . . 27 27 A 53 LEU N A 53 LEU H 1.0 . . . 28 28 A 54 SER N A 54 SER H 1.0 . . . 29 29 A 57 GLN N A 57 GLN H 1.0 . . . 30 30 A 58 ILE N A 58 ILE H 1.0 . . . 31 31 A 59 ARG N A 59 ARG H 1.0 . . . 32 32 A 61 ARG N A 61 ARG H 1.0 . . . 33 33 A 63 ASP N A 63 ASP H 1.0 . . . 34 34 A 64 GLY N A 64 GLY H 1.0 . . . 35 35 A 65 GLN N A 65 GLN H 1.0 . . . 36 36 A 67 ILE N A 67 ILE H 1.0 . . . 37 37 A 68 ASN N A 68 ASN H 1.0 . . . 38 38 A 70 THR N A 70 THR H 1.0 . . . 39 39 A 71 ASP N A 71 ASP H 1.0 . . . 40 40 A 72 THR N A 72 THR H 1.0 . . . 41 41 A 76 LEU N A 76 LEU H 1.0 . . . 42 42 A 78 MET N A 78 MET H 1.0 . . . 43 43 A 79 GLU N A 79 GLU H 1.0 . . . 44 44 A 81 GLU N A 81 GLU H 1.0 . . . 45 45 A 82 ASP N A 82 ASP H 1.0 . . . 46 46 A 83 THR N A 83 THR H 1.0 . . . 47 47 A 84 ILE N A 84 ILE H 1.0 . . . 48 48 A 86 VAL N A 86 VAL H 1.0 . . . 49 49 A 87 PHE N A 87 PHE H 1.0 . . . 50 50 A 88 GLN N A 88 GLN H 1.0 . . . 51 51 A 89 GLN N A 89 GLN H 1.0 . . . 52 52 A 90 GLN N A 90 GLN H 1.0 . . . 53 53 A 92 GLY N A 92 GLY H 1.0 . . . 54 54 A 93 GLY N A 93 GLY H 1.0 . . . stop_ save_