data_nef_c25702_2n5a 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 25703 PDB 2N5A 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 1 MET start . . 2 A 2 VAL middle . . 3 A 3 THR middle . . 4 A 4 GLN middle . . 5 A 5 PHE middle . . 6 A 6 LYS middle . . 7 A 7 THR middle . . 8 A 8 ALA middle . . 9 A 9 SER middle . . 10 A 10 GLU middle . . 11 A 11 PHE middle . . 12 A 12 ASP middle . . 13 A 13 SER middle . . 14 A 14 ALA middle . . 15 A 15 ILE middle . . 16 A 16 ALA middle . . 17 A 17 GLN middle . . 18 A 18 ASP middle . . 19 A 19 LYS middle . . 20 A 20 LEU middle . . 21 A 21 VAL middle . . 22 A 22 VAL middle . . 23 A 23 VAL middle . . 24 A 24 ALA middle . . 25 A 25 PHE middle . . 26 A 26 TYR middle . . 27 A 27 ALA middle . . 28 A 28 THR middle . . 29 A 29 TRP middle . . 30 A 30 CYS middle . . 31 A 31 GLY middle . false 32 A 32 PRO middle . false 33 A 33 CYS middle . . 34 A 34 LYS middle . . 35 A 35 MET middle . . 36 A 36 ILE middle . . 37 A 37 ALA middle . . 38 A 38 PRO middle . false 39 A 39 MET middle . . 40 A 40 ILE middle . . 41 A 41 GLU middle . . 42 A 42 LYS middle . . 43 A 43 PHE middle . . 44 A 44 SER middle . . 45 A 45 GLU middle . . 46 A 46 GLN middle . . 47 A 47 TYR middle . . 48 A 48 PRO middle . false 49 A 49 GLN middle . . 50 A 50 ALA middle . . 51 A 51 ASP middle . . 52 A 52 PHE middle . . 53 A 53 TYR middle . . 54 A 54 LYS middle . . 55 A 55 LEU middle . . 56 A 56 ASP middle . . 57 A 57 VAL middle . . 58 A 58 ASP middle . . 59 A 59 GLU middle . . 60 A 60 LEU middle . . 61 A 61 GLY middle . false 62 A 62 ASP middle . . 63 A 63 VAL middle . . 64 A 64 ALA middle . . 65 A 65 GLN middle . . 66 A 66 LYS middle . . 67 A 67 ASN middle . . 68 A 68 GLU middle . . 69 A 69 VAL middle . . 70 A 70 SER middle . . 71 A 71 ALA middle . . 72 A 72 MET middle . . 73 A 73 PRO middle . true 74 A 74 THR middle . . 75 A 75 LEU middle . . 76 A 76 LEU middle . . 77 A 77 LEU middle . . 78 A 78 PHE middle . . 79 A 79 LYS middle . . 80 A 80 ASN middle . . 81 A 81 GLY middle . false 82 A 82 LYS middle . . 83 A 83 GLU middle . . 84 A 84 VAL middle . . 85 A 85 ALA middle . . 86 A 86 LYS middle . . 87 A 87 VAL middle . . 88 A 88 VAL middle . . 89 A 89 GLY middle . false 90 A 90 ALA middle . . 91 A 91 ASN middle . . 92 A 92 PRO middle . false 93 A 93 ALA middle . . 94 A 94 ALA middle . . 95 A 95 ILE middle . . 96 A 96 LYS middle . . 97 A 97 GLN middle . . 98 A 98 ALA middle . . 99 A 99 ILE middle . . 100 A 100 ALA middle . . 101 A 101 ALA middle . . 102 A 102 ASN middle . . 103 A 103 ALA end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.058 0.017 A 1 MET HB3 H 1 2.029 0.000 A 1 MET HE% H 1 2.031 0.012 A 1 MET HGy H 1 2.408 0.019 A 1 MET HGx H 1 2.375 0.005 A 1 MET C C 13 171.265 0.000 A 1 MET CA C 13 54.785 0.037 A 1 MET CB C 13 32.938 0.000 A 1 MET CE C 13 17.172 0.110 A 1 MET CG C 13 30.645 0.027 A 2 VAL H H 1 8.590 0.032 A 2 VAL HA H 1 4.078 0.019 A 2 VAL HB H 1 1.795 0.017 A 2 VAL HGx% H 1 0.534 0.023 A 2 VAL HGy% H 1 0.631 0.011 A 2 VAL C C 13 175.261 0.000 A 2 VAL CA C 13 61.049 0.026 A 2 VAL CB C 13 32.667 0.205 A 2 VAL CGx C 13 20.679 0.028 A 2 VAL CGy C 13 20.707 0.031 A 2 VAL N N 15 125.020 0.009 A 3 THR H H 1 7.778 0.011 A 3 THR HA H 1 4.138 0.003 A 3 THR HB H 1 3.657 0.013 A 3 THR HG2% H 1 1.093 0.009 A 3 THR C C 13 173.129 0.000 A 3 THR CA C 13 62.804 0.084 A 3 THR CB C 13 69.547 0.068 A 3 THR N N 15 125.759 0.012 A 4 GLN H H 1 8.975 0.004 A 4 GLN HA H 1 4.739 0.041 A 4 GLN HBx H 1 1.795 0.016 A 4 GLN HBy H 1 2.006 0.020 A 4 GLN HE21 H 1 7.154 0.005 A 4 GLN HE22 H 1 6.552 0.005 A 4 GLN C C 13 176.754 0.000 A 4 GLN CA C 13 54.435 0.112 A 4 GLN CB C 13 29.530 0.063 A 4 GLN N N 15 127.746 0.024 A 4 GLN NE2 N 15 109.510 0.019 A 5 PHE H H 1 8.422 0.006 A 5 PHE HA H 1 4.817 0.010 A 5 PHE HBx H 1 2.553 0.023 A 5 PHE HBy H 1 3.036 0.011 A 5 PHE HD1 H 1 7.089 0.016 A 5 PHE HD2 H 1 7.089 0.016 A 5 PHE HE1 H 1 6.627 0.009 A 5 PHE HE2 H 1 6.627 0.009 A 5 PHE HZ H 1 5.751 0.004 A 5 PHE C C 13 176.102 0.000 A 5 PHE CA C 13 58.528 0.041 A 5 PHE CB C 13 40.520 0.021 A 5 PHE CD1 C 13 129.535 0.054 A 5 PHE CD2 C 13 129.535 0.054 A 5 PHE CE1 C 13 131.718 0.054 A 5 PHE CE2 C 13 131.718 0.054 A 5 PHE CZ C 13 129.014 0.013 A 5 PHE N N 15 126.242 0.025 A 6 LYS H H 1 9.822 0.007 A 6 LYS HA H 1 4.621 0.023 A 6 LYS HB2 H 1 1.929 0.010 A 6 LYS HB3 H 1 1.928 0.012 A 6 LYS HG2 H 1 1.976 0.015 A 6 LYS HG3 H 1 1.981 0.011 A 6 LYS C C 13 176.994 0.000 A 6 LYS CA C 13 56.015 0.045 A 6 LYS CB C 13 34.132 0.014 A 6 LYS CG C 13 24.645 0.059 A 6 LYS N N 15 119.482 0.024 A 7 THR H H 1 7.484 0.013 A 7 THR HA H 1 4.597 0.005 A 7 THR HB H 1 4.479 0.004 A 7 THR HG2% H 1 1.120 0.024 A 7 THR C C 13 173.921 0.000 A 7 THR CA C 13 59.155 0.050 A 7 THR CB C 13 72.660 0.037 A 7 THR CG2 C 13 21.725 0.000 A 7 THR N N 15 107.464 0.010 A 8 ALA H H 1 9.031 0.010 A 8 ALA HA H 1 3.709 0.010 A 8 ALA HB% H 1 1.303 0.038 A 8 ALA C C 13 179.409 0.000 A 8 ALA CA C 13 55.002 0.029 A 8 ALA CB C 13 18.090 0.143 A 8 ALA N N 15 123.987 0.023 A 9 SER H H 1 8.161 0.017 A 9 SER HA H 1 4.127 0.011 A 9 SER HB2 H 1 3.815 0.006 A 9 SER HB3 H 1 3.813 0.006 A 9 SER C C 13 177.070 0.000 A 9 SER CA C 13 61.109 0.049 A 9 SER CB C 13 62.226 0.000 A 9 SER N N 15 112.387 0.045 A 10 GLU H H 1 7.522 0.013 A 10 GLU HA H 1 3.851 0.020 A 10 GLU HB2 H 1 2.277 0.011 A 10 GLU HB3 H 1 2.274 0.009 A 10 GLU HGx H 1 2.243 0.014 A 10 GLU HGy H 1 2.490 0.006 A 10 GLU C C 13 178.776 0.000 A 10 GLU CA C 13 58.683 0.111 A 10 GLU CB C 13 31.004 0.070 A 10 GLU CG C 13 36.446 0.157 A 10 GLU N N 15 121.941 0.058 A 11 PHE H H 1 6.624 0.018 A 11 PHE HA H 1 2.846 0.008 A 11 PHE HB2 H 1 2.913 0.010 A 11 PHE HB3 H 1 2.894 0.021 A 11 PHE HD1 H 1 6.731 0.014 A 11 PHE HD2 H 1 6.731 0.014 A 11 PHE HE1 H 1 6.975 0.020 A 11 PHE HE2 H 1 6.975 0.020 A 11 PHE C C 13 174.944 0.000 A 11 PHE CA C 13 60.707 0.025 A 11 PHE CB C 13 37.738 0.028 A 11 PHE CD1 C 13 132.233 0.038 A 11 PHE CD2 C 13 132.233 0.038 A 11 PHE CE1 C 13 130.854 0.273 A 11 PHE CE2 C 13 130.854 0.273 A 11 PHE N N 15 120.541 0.025 A 12 ASP H H 1 7.637 0.020 A 12 ASP HA H 1 3.831 0.012 A 12 ASP HBx H 1 2.443 0.012 A 12 ASP HBy H 1 2.478 0.029 A 12 ASP C C 13 178.767 0.000 A 12 ASP CA C 13 57.218 0.054 A 12 ASP CB C 13 40.299 0.031 A 12 ASP N N 15 117.847 0.034 A 13 SER H H 1 7.539 0.020 A 13 SER HA H 1 4.034 0.010 A 13 SER HB2 H 1 3.725 0.013 A 13 SER HB3 H 1 3.721 0.010 A 13 SER C C 13 176.341 0.000 A 13 SER CA C 13 60.857 0.036 A 13 SER CB C 13 63.144 0.175 A 13 SER N N 15 111.904 0.043 A 14 ALA H H 1 7.647 0.019 A 14 ALA HA H 1 4.027 0.011 A 14 ALA HB% H 1 1.085 0.013 A 14 ALA C C 13 180.358 0.000 A 14 ALA CA C 13 54.840 0.020 A 14 ALA CB C 13 18.826 0.037 A 14 ALA N N 15 123.793 0.030 A 15 ILE H H 1 7.146 0.012 A 15 ILE HA H 1 3.720 0.005 A 15 ILE HB H 1 1.042 0.004 A 15 ILE HD1% H 1 -0.655 0.006 A 15 ILE HG1y H 1 0.606 0.025 A 15 ILE HG1x H 1 0.580 0.025 A 15 ILE HG2% H 1 0.057 0.002 A 15 ILE C C 13 176.012 0.000 A 15 ILE CA C 13 63.495 0.073 A 15 ILE CB C 13 37.795 0.020 A 15 ILE CD1 C 13 17.017 0.016 A 15 ILE CG1 C 13 25.146 0.043 A 15 ILE CG2 C 13 14.909 0.016 A 15 ILE N N 15 106.782 0.008 A 16 ALA H H 1 6.627 0.011 A 16 ALA HA H 1 4.031 0.010 A 16 ALA HB% H 1 1.285 0.012 A 16 ALA C C 13 177.072 0.000 A 16 ALA CA C 13 51.750 0.049 A 16 ALA CB C 13 18.370 0.056 A 16 ALA N N 15 122.248 0.009 A 17 GLN H H 1 7.136 0.014 A 17 GLN HA H 1 4.219 0.015 A 17 GLN HBy H 1 2.052 0.018 A 17 GLN HBx H 1 1.765 0.018 A 17 GLN HE21 H 1 7.074 0.011 A 17 GLN HE22 H 1 7.729 0.018 A 17 GLN HG2 H 1 2.748 0.034 A 17 GLN HG3 H 1 2.748 0.034 A 17 GLN CA C 13 55.898 0.020 A 17 GLN CB C 13 33.964 0.238 A 17 GLN CG C 13 34.440 0.021 A 17 GLN N N 15 115.254 0.012 A 17 GLN NE2 N 15 112.292 0.289 A 18 ASP H H 1 8.644 0.006 A 18 ASP HA H 1 4.532 0.007 A 18 ASP HBx H 1 2.460 0.012 A 18 ASP HBy H 1 2.649 0.031 A 18 ASP C C 13 175.348 0.000 A 18 ASP CA C 13 53.510 0.041 A 18 ASP CB C 13 39.050 0.122 A 18 ASP N N 15 122.840 0.031 A 19 LYS H H 1 7.939 0.009 A 19 LYS HA H 1 4.383 0.009 A 19 LYS HB2 H 1 1.751 0.011 A 19 LYS HB3 H 1 1.755 0.012 A 19 LYS HDy H 1 1.319 0.000 A 19 LYS HDx H 1 1.301 0.009 A 19 LYS HG2 H 1 1.204 0.008 A 19 LYS HG3 H 1 1.202 0.007 A 19 LYS C C 13 173.289 0.000 A 19 LYS CA C 13 54.721 0.068 A 19 LYS CB C 13 34.216 0.014 A 19 LYS CD C 13 29.655 0.071 A 19 LYS CG C 13 22.886 0.046 A 19 LYS N N 15 118.503 0.005 A 20 LEU H H 1 8.625 0.015 A 20 LEU HA H 1 4.709 0.013 A 20 LEU HBy H 1 1.803 0.009 A 20 LEU HBx H 1 1.278 0.017 A 20 LEU HD1% H 1 0.742 0.017 A 20 LEU HD2% H 1 0.726 0.013 A 20 LEU C C 13 174.429 0.000 A 20 LEU CA C 13 55.787 0.000 A 20 LEU CB C 13 41.561 0.041 A 20 LEU CD2 C 13 23.622 0.091 A 20 LEU N N 15 120.813 0.040 A 21 VAL H H 1 9.251 0.022 A 21 VAL HA H 1 4.265 0.005 A 21 VAL HB H 1 1.873 0.004 A 21 VAL HG1% H 1 0.808 0.021 A 21 VAL HG2% H 1 0.832 0.018 A 21 VAL C C 13 174.618 0.000 A 21 VAL CA C 13 61.583 0.100 A 21 VAL CB C 13 34.577 0.046 A 21 VAL CG2 C 13 20.939 0.224 A 21 VAL N N 15 128.813 0.020 A 22 VAL H H 1 8.969 0.015 A 22 VAL HA H 1 4.263 0.004 A 22 VAL HB H 1 1.908 0.010 A 22 VAL HG1% H 1 0.892 0.009 A 22 VAL HG2% H 1 0.876 0.023 A 22 VAL C C 13 174.802 0.000 A 22 VAL CA C 13 61.642 0.057 A 22 VAL CB C 13 32.824 0.073 A 22 VAL CG2 C 13 20.850 0.028 A 22 VAL N N 15 130.243 0.092 A 23 VAL H H 1 9.555 0.012 A 23 VAL HA H 1 4.652 0.014 A 23 VAL HB H 1 2.427 0.010 A 23 VAL HG1% H 1 1.056 0.021 A 23 VAL HG2% H 1 1.050 0.019 A 23 VAL C C 13 174.086 0.000 A 23 VAL CA C 13 61.783 0.000 A 23 VAL CB C 13 34.424 0.040 A 23 VAL CG2 C 13 20.985 0.028 A 23 VAL N N 15 125.526 0.032 A 24 ALA H H 1 9.004 0.016 A 24 ALA HA H 1 5.003 0.011 A 24 ALA HB% H 1 1.232 0.024 A 24 ALA C C 13 175.093 0.000 A 24 ALA CA C 13 51.109 0.031 A 24 ALA CB C 13 19.543 0.013 A 24 ALA N N 15 130.468 0.058 A 25 PHE H H 1 9.455 0.010 A 25 PHE HA H 1 5.019 0.005 A 25 PHE HBx H 1 2.492 0.018 A 25 PHE HBy H 1 3.359 0.014 A 25 PHE C C 13 174.794 0.000 A 25 PHE CA C 13 57.620 0.028 A 25 PHE CB C 13 39.765 0.043 A 25 PHE N N 15 124.289 0.023 A 26 TYR H H 1 8.908 0.019 A 26 TYR HA H 1 5.351 0.007 A 26 TYR HB2 H 1 2.735 0.014 A 26 TYR HB3 H 1 2.730 0.010 A 26 TYR HD1 H 1 6.780 0.011 A 26 TYR HD2 H 1 6.780 0.011 A 26 TYR HE1 H 1 6.400 0.009 A 26 TYR HE2 H 1 6.400 0.009 A 26 TYR C C 13 171.352 0.000 A 26 TYR CA C 13 54.831 0.015 A 26 TYR CB C 13 42.934 0.042 A 26 TYR CD1 C 13 132.596 0.092 A 26 TYR CD2 C 13 132.596 0.092 A 26 TYR CE1 C 13 117.574 0.021 A 26 TYR CE2 C 13 117.574 0.021 A 26 TYR N N 15 120.967 0.011 A 27 ALA H H 1 6.962 0.010 A 27 ALA HA H 1 4.559 0.010 A 27 ALA HB% H 1 0.136 0.018 A 27 ALA C C 13 179.092 0.000 A 27 ALA CA C 13 50.154 0.029 A 27 ALA CB C 13 21.950 0.095 A 27 ALA N N 15 119.133 0.075 A 28 THR H H 1 10.053 0.008 A 28 THR HA H 1 3.867 0.020 A 28 THR HB H 1 4.235 0.006 A 28 THR HG2% H 1 1.371 0.005 A 28 THR C C 13 174.957 0.000 A 28 THR CA C 13 64.820 0.069 A 28 THR CB C 13 69.197 0.016 A 28 THR CG2 C 13 22.173 0.047 A 28 THR N N 15 116.784 0.020 A 29 TRP H H 1 6.495 0.007 A 29 TRP HA H 1 4.522 0.019 A 29 TRP HBx H 1 3.109 0.014 A 29 TRP HBy H 1 3.622 0.020 A 29 TRP HD1 H 1 7.316 0.014 A 29 TRP HE3 H 1 7.100 0.014 A 29 TRP HH2 H 1 7.073 0.008 A 29 TRP HZ2 H 1 7.359 0.010 A 29 TRP HZ3 H 1 7.315 0.008 A 29 TRP C C 13 175.478 0.000 A 29 TRP CA C 13 53.505 0.032 A 29 TRP CB C 13 29.344 0.018 A 29 TRP CD1 C 13 128.873 0.102 A 29 TRP CE3 C 13 121.565 0.000 A 29 TRP CH2 C 13 124.778 0.000 A 29 TRP CZ2 C 13 115.034 0.093 A 29 TRP CZ3 C 13 121.252 0.000 A 29 TRP N N 15 114.763 0.016 A 30 CYS H H 1 6.484 0.011 A 30 CYS HA H 1 4.491 0.002 A 30 CYS HBx H 1 1.683 0.027 A 30 CYS HBy H 1 2.362 0.013 A 30 CYS CA C 13 58.502 0.031 A 30 CYS CB C 13 27.648 0.129 A 30 CYS N N 15 122.729 0.017 A 33 CYS HA H 1 3.960 0.024 A 33 CYS HB2 H 1 2.743 0.018 A 33 CYS HB3 H 1 2.753 0.014 A 33 CYS C C 13 176.605 0.000 A 33 CYS CA C 13 63.563 0.048 A 33 CYS CB C 13 28.227 0.057 A 34 LYS H H 1 7.828 0.032 A 34 LYS HA H 1 3.922 0.013 A 34 LYS HB2 H 1 1.885 0.024 A 34 LYS HB3 H 1 1.888 0.023 A 34 LYS C C 13 178.623 0.000 A 34 LYS CA C 13 59.122 0.071 A 34 LYS CB C 13 32.187 0.078 A 34 LYS N N 15 120.638 0.325 A 35 MET H H 1 7.612 0.020 A 35 MET HA H 1 4.230 0.015 A 35 MET HB2 H 1 1.933 0.012 A 35 MET HB3 H 1 1.917 0.015 A 35 MET HE% H 1 1.951 0.024 A 35 MET HG3 H 1 2.625 0.005 A 35 MET C C 13 177.927 0.000 A 35 MET CA C 13 56.931 0.099 A 35 MET CB C 13 32.038 0.055 A 35 MET CE C 13 17.093 0.082 A 35 MET CG C 13 31.905 0.047 A 35 MET N N 15 115.754 0.034 A 36 ILE H H 1 7.399 0.006 A 36 ILE HA H 1 4.252 0.016 A 36 ILE HB H 1 1.830 0.010 A 36 ILE HD1% H 1 0.829 0.026 A 36 ILE HG12 H 1 1.368 0.032 A 36 ILE HG13 H 1 1.376 0.038 A 36 ILE C C 13 176.681 0.000 A 36 ILE CA C 13 60.143 0.032 A 36 ILE CB C 13 38.885 0.088 A 36 ILE CD1 C 13 13.950 0.021 A 36 ILE CG1 C 13 28.600 0.044 A 36 ILE N N 15 114.905 0.011 A 37 ALA H H 1 7.587 0.006 A 37 ALA HA H 1 4.079 0.017 A 37 ALA HB% H 1 1.279 0.012 A 37 ALA CA C 13 57.071 0.028 A 37 ALA CB C 13 15.458 0.030 A 37 ALA N N 15 125.154 0.062 A 38 PRO HA H 1 4.239 0.006 A 38 PRO HB2 H 1 2.201 0.015 A 38 PRO HB3 H 1 2.205 0.015 A 38 PRO HD2 H 1 4.006 0.003 A 38 PRO HD3 H 1 4.006 0.003 A 38 PRO C C 13 179.456 0.000 A 38 PRO CA C 13 65.187 0.059 A 38 PRO CB C 13 30.763 0.024 A 38 PRO CD C 13 50.756 0.014 A 39 MET H H 1 7.051 0.014 A 39 MET HA H 1 3.854 0.020 A 39 MET HB2 H 1 2.395 0.014 A 39 MET HB3 H 1 2.396 0.013 A 39 MET HE% H 1 1.805 0.010 A 39 MET C C 13 177.388 0.000 A 39 MET CA C 13 57.916 0.008 A 39 MET CB C 13 32.238 0.210 A 39 MET CE C 13 18.633 0.028 A 39 MET N N 15 117.231 0.018 A 40 ILE H H 1 7.825 0.009 A 40 ILE HA H 1 3.675 0.028 A 40 ILE HB H 1 2.085 0.013 A 40 ILE HD1% H 1 0.947 0.036 A 40 ILE C C 13 177.699 0.000 A 40 ILE CA C 13 63.669 0.056 A 40 ILE CB C 13 35.771 0.048 A 40 ILE CD1 C 13 18.109 0.178 A 40 ILE N N 15 117.419 0.043 A 41 GLU H H 1 7.475 0.011 A 41 GLU HA H 1 3.586 0.016 A 41 GLU HB2 H 1 1.901 0.015 A 41 GLU HB3 H 1 1.905 0.016 A 41 GLU HG2 H 1 2.091 0.011 A 41 GLU HG3 H 1 2.090 0.012 A 41 GLU C C 13 180.065 0.000 A 41 GLU CA C 13 59.407 0.019 A 41 GLU CB C 13 28.474 0.131 A 41 GLU CG C 13 36.099 0.197 A 41 GLU N N 15 119.014 0.021 A 42 LYS H H 1 7.402 0.024 A 42 LYS HA H 1 3.917 0.009 A 42 LYS HB2 H 1 1.672 0.030 A 42 LYS HB3 H 1 1.695 0.023 A 42 LYS C C 13 179.895 0.000 A 42 LYS CA C 13 59.034 0.067 A 42 LYS CB C 13 30.845 0.119 A 42 LYS N N 15 120.988 0.042 A 43 PHE H H 1 8.270 0.006 A 43 PHE HA H 1 3.164 0.037 A 43 PHE HBx H 1 3.002 0.017 A 43 PHE HBy H 1 3.163 0.020 A 43 PHE HD1 H 1 7.151 0.023 A 43 PHE HD2 H 1 7.151 0.023 A 43 PHE C C 13 177.806 0.000 A 43 PHE CA C 13 60.022 0.033 A 43 PHE CB C 13 37.420 0.035 A 43 PHE CD1 C 13 130.863 0.132 A 43 PHE CD2 C 13 130.863 0.132 A 43 PHE N N 15 118.946 0.042 A 44 SER H H 1 7.763 0.009 A 44 SER HA H 1 2.873 0.025 A 44 SER HBx H 1 2.816 0.013 A 44 SER HBy H 1 3.196 0.028 A 44 SER C C 13 175.522 0.000 A 44 SER CA C 13 60.173 0.000 A 44 SER CB C 13 61.911 0.119 A 44 SER N N 15 116.035 0.021 A 45 GLU H H 1 6.888 0.009 A 45 GLU HA H 1 4.059 0.015 A 45 GLU HB2 H 1 1.991 0.044 A 45 GLU HB3 H 1 2.025 0.016 A 45 GLU HG2 H 1 2.025 0.005 A 45 GLU HG3 H 1 2.028 0.000 A 45 GLU C C 13 177.798 0.000 A 45 GLU CA C 13 57.303 0.068 A 45 GLU CB C 13 29.637 0.108 A 45 GLU CG C 13 32.868 0.004 A 45 GLU N N 15 120.563 0.026 A 46 GLN H H 1 7.451 0.012 A 46 GLN HA H 1 3.927 0.009 A 46 GLN HB2 H 1 2.026 0.011 A 46 GLN HB3 H 1 2.026 0.012 A 46 GLN HGx H 1 2.026 0.010 A 46 GLN HGy H 1 2.311 0.015 A 46 GLN C C 13 175.422 0.000 A 46 GLN CA C 13 57.033 0.025 A 46 GLN CB C 13 29.690 0.060 A 46 GLN CG C 13 33.867 0.151 A 46 GLN N N 15 118.400 0.048 A 47 TYR H H 1 7.433 0.012 A 47 TYR HA H 1 4.983 0.018 A 47 TYR HB2 H 1 2.925 0.017 A 47 TYR HB3 H 1 2.927 0.019 A 47 TYR HD1 H 1 7.201 0.016 A 47 TYR HD2 H 1 7.201 0.016 A 47 TYR HE1 H 1 6.580 0.003 A 47 TYR HE2 H 1 6.580 0.003 A 47 TYR CA C 13 56.084 0.059 A 47 TYR CB C 13 38.074 0.174 A 47 TYR CD1 C 13 133.758 0.049 A 47 TYR CD2 C 13 133.758 0.049 A 47 TYR CE1 C 13 117.165 0.041 A 47 TYR CE2 C 13 117.165 0.041 A 47 TYR N N 15 115.979 0.014 A 48 PRO HA H 1 4.711 0.013 A 48 PRO HBy H 1 2.262 0.009 A 48 PRO HBx H 1 2.037 0.007 A 48 PRO HD2 H 1 3.524 0.004 A 48 PRO HD3 H 1 3.524 0.004 A 48 PRO C C 13 177.453 0.000 A 48 PRO CA C 13 64.294 0.000 A 48 PRO CB C 13 31.870 0.097 A 48 PRO CD C 13 49.962 0.031 A 49 GLN H H 1 9.617 0.004 A 49 GLN HA H 1 4.360 0.019 A 49 GLN HBx H 1 2.118 0.028 A 49 GLN HBy H 1 2.211 0.028 A 49 GLN HE21 H 1 7.722 0.006 A 49 GLN HE22 H 1 7.359 0.009 A 49 GLN HG2 H 1 2.623 0.011 A 49 GLN HG3 H 1 2.623 0.010 A 49 GLN C C 13 174.990 0.000 A 49 GLN CA C 13 56.460 0.098 A 49 GLN CB C 13 27.779 0.097 A 49 GLN CG C 13 33.297 0.020 A 49 GLN N N 15 119.035 0.011 A 49 GLN NE2 N 15 111.733 0.293 A 50 ALA H H 1 8.170 0.006 A 50 ALA HA H 1 5.047 0.022 A 50 ALA HB% H 1 1.195 0.014 A 50 ALA C C 13 175.173 0.000 A 50 ALA CA C 13 50.049 0.037 A 50 ALA CB C 13 22.166 0.083 A 50 ALA N N 15 127.008 0.008 A 51 ASP H H 1 8.411 0.012 A 51 ASP HA H 1 5.105 0.006 A 51 ASP HBx H 1 2.528 0.017 A 51 ASP HBy H 1 2.644 0.022 A 51 ASP C C 13 174.707 0.000 A 51 ASP CA C 13 53.004 0.053 A 51 ASP CB C 13 44.273 0.027 A 51 ASP N N 15 120.039 0.015 A 52 PHE H H 1 8.943 0.020 A 52 PHE HA H 1 5.179 0.008 A 52 PHE HBx H 1 2.503 0.011 A 52 PHE HBy H 1 3.268 0.006 A 52 PHE HE1 H 1 6.768 0.000 A 52 PHE HE2 H 1 6.768 0.000 A 52 PHE C C 13 174.633 0.000 A 52 PHE CA C 13 56.712 0.057 A 52 PHE CB C 13 41.874 0.068 A 52 PHE CE1 C 13 132.152 0.000 A 52 PHE CE2 C 13 132.152 0.000 A 52 PHE N N 15 120.670 0.193 A 53 TYR H H 1 9.336 0.010 A 53 TYR HA H 1 5.477 0.011 A 53 TYR HBy H 1 2.135 0.031 A 53 TYR HBx H 1 2.049 0.017 A 53 TYR HD1 H 1 6.263 0.006 A 53 TYR HD2 H 1 6.263 0.006 A 53 TYR HE1 H 1 6.489 0.004 A 53 TYR HE2 H 1 6.489 0.004 A 53 TYR C C 13 174.507 0.000 A 53 TYR CA C 13 55.713 0.012 A 53 TYR CB C 13 45.842 0.028 A 53 TYR CD1 C 13 133.800 0.037 A 53 TYR CD2 C 13 133.800 0.037 A 53 TYR CE1 C 13 117.755 0.022 A 53 TYR CE2 C 13 117.755 0.022 A 53 TYR N N 15 120.949 0.025 A 54 LYS H H 1 8.451 0.012 A 54 LYS HA H 1 5.499 0.010 A 54 LYS HB2 H 1 1.616 0.130 A 54 LYS HB3 H 1 1.448 0.003 A 54 LYS C C 13 173.200 0.000 A 54 LYS CA C 13 53.495 0.072 A 54 LYS CB C 13 35.956 0.078 A 54 LYS N N 15 115.771 0.007 A 55 LEU H H 1 8.783 0.011 A 55 LEU HA H 1 4.471 0.016 A 55 LEU HBy H 1 1.196 0.024 A 55 LEU HBx H 1 1.188 0.025 A 55 LEU HD1% H 1 0.525 0.016 A 55 LEU HD2% H 1 0.512 0.012 A 55 LEU HG H 1 1.409 0.009 A 55 LEU C C 13 172.053 0.000 A 55 LEU CA C 13 55.386 0.022 A 55 LEU CB C 13 45.813 0.027 A 55 LEU CD2 C 13 24.678 0.037 A 55 LEU CG C 13 26.876 0.228 A 55 LEU N N 15 123.037 0.012 A 56 ASP H H 1 8.580 0.029 A 56 ASP HA H 1 4.157 0.009 A 56 ASP HBx H 1 2.187 0.030 A 56 ASP HBy H 1 2.734 0.014 A 56 ASP C C 13 178.219 0.000 A 56 ASP CA C 13 52.242 0.020 A 56 ASP CB C 13 40.748 0.064 A 56 ASP N N 15 126.250 0.013 A 57 VAL H H 1 8.767 0.011 A 57 VAL HA H 1 3.416 0.021 A 57 VAL HG1% H 1 0.938 0.022 A 57 VAL C C 13 175.672 0.000 A 57 VAL CA C 13 64.696 0.112 A 57 VAL CB C 13 31.003 0.000 A 57 VAL CG1 C 13 19.522 0.000 A 57 VAL N N 15 123.015 0.007 A 58 ASP H H 1 8.653 0.003 A 58 ASP HA H 1 4.695 0.018 A 58 ASP HB2 H 1 2.738 0.020 A 58 ASP HB3 H 1 2.742 0.016 A 58 ASP C C 13 177.541 0.000 A 58 ASP CA C 13 56.159 0.081 A 58 ASP CB C 13 40.470 0.014 A 58 ASP N N 15 118.536 0.012 A 59 GLU H H 1 7.596 0.014 A 59 GLU HA H 1 4.353 0.022 A 59 GLU HB2 H 1 2.067 0.016 A 59 GLU HB3 H 1 2.100 0.024 A 59 GLU C C 13 177.106 0.000 A 59 GLU CA C 13 57.369 0.008 A 59 GLU CB C 13 31.700 0.106 A 59 GLU N N 15 119.610 0.235 A 60 LEU H H 1 7.689 0.017 A 60 LEU HA H 1 4.912 0.009 A 60 LEU HBx H 1 1.321 0.023 A 60 LEU HBy H 1 1.426 0.018 A 60 LEU C C 13 177.050 0.000 A 60 LEU CA C 13 52.364 0.152 A 60 LEU CB C 13 41.622 0.056 A 60 LEU N N 15 121.513 0.010 A 61 GLY H H 1 8.218 0.006 A 61 GLY HAx H 1 3.742 0.011 A 61 GLY HAy H 1 3.928 0.009 A 61 GLY C C 13 176.313 0.000 A 61 GLY CA C 13 48.223 0.067 A 61 GLY N N 15 111.170 0.040 A 62 ASP H H 1 9.141 0.003 A 62 ASP HA H 1 4.318 0.022 A 62 ASP HBy H 1 2.564 0.030 A 62 ASP HBx H 1 2.472 0.006 A 62 ASP C C 13 178.935 0.000 A 62 ASP CA C 13 56.679 0.095 A 62 ASP CB C 13 39.263 0.105 A 62 ASP N N 15 119.711 0.012 A 63 VAL H H 1 7.275 0.020 A 63 VAL HA H 1 3.323 0.018 A 63 VAL HB H 1 1.871 0.017 A 63 VAL HGx% H 1 0.621 0.027 A 63 VAL HGy% H 1 0.124 0.010 A 63 VAL C C 13 179.266 0.000 A 63 VAL CA C 13 65.394 0.145 A 63 VAL CB C 13 31.292 0.215 A 63 VAL CGy C 13 21.364 0.035 A 63 VAL CGx C 13 19.855 0.000 A 63 VAL N N 15 120.511 0.004 A 64 ALA H H 1 7.264 0.011 A 64 ALA HA H 1 3.790 0.010 A 64 ALA HB% H 1 1.427 0.012 A 64 ALA C C 13 178.540 0.000 A 64 ALA CA C 13 55.885 0.023 A 64 ALA CB C 13 17.817 0.090 A 64 ALA N N 15 122.711 0.018 A 65 GLN H H 1 8.344 0.011 A 65 GLN HA H 1 4.057 0.008 A 65 GLN HB2 H 1 2.121 0.029 A 65 GLN HB3 H 1 2.106 0.022 A 65 GLN HG2 H 1 2.403 0.020 A 65 GLN HG3 H 1 2.405 0.019 A 65 GLN C C 13 180.544 0.000 A 65 GLN CA C 13 59.009 0.124 A 65 GLN CB C 13 28.301 0.008 A 65 GLN CG C 13 32.086 0.149 A 65 GLN N N 15 117.988 0.014 A 66 LYS H H 1 7.971 0.009 A 66 LYS HA H 1 4.054 0.004 A 66 LYS HB2 H 1 1.783 0.021 A 66 LYS HB3 H 1 1.793 0.020 A 66 LYS HG2 H 1 1.438 0.012 A 66 LYS HG3 H 1 1.431 0.014 A 66 LYS C C 13 176.954 0.000 A 66 LYS CA C 13 58.817 0.031 A 66 LYS CB C 13 32.179 0.126 A 66 LYS CG C 13 25.101 0.019 A 66 LYS N N 15 120.050 0.094 A 67 ASN H H 1 7.064 0.012 A 67 ASN HA H 1 4.776 0.015 A 67 ASN HBy H 1 2.752 0.013 A 67 ASN HBx H 1 2.077 0.009 A 67 ASN HD21 H 1 6.031 0.011 A 67 ASN HD22 H 1 7.557 0.006 A 67 ASN C C 13 171.614 0.000 A 67 ASN CA C 13 54.080 0.031 A 67 ASN CB C 13 40.109 0.034 A 67 ASN N N 15 114.553 0.018 A 67 ASN ND2 N 15 113.715 0.013 A 68 GLU H H 1 7.755 0.015 A 68 GLU HA H 1 3.741 0.009 A 68 GLU HBx H 1 1.939 0.021 A 68 GLU HBy H 1 2.066 0.008 A 68 GLU C C 13 175.660 0.000 A 68 GLU CA C 13 57.006 0.023 A 68 GLU CB C 13 26.972 0.078 A 68 GLU N N 15 114.491 0.026 A 69 VAL H H 1 7.787 0.023 A 69 VAL HA H 1 3.904 0.013 A 69 VAL HB H 1 1.430 0.012 A 69 VAL HGx% H 1 -0.210 0.024 A 69 VAL HGy% H 1 0.522 0.008 A 69 VAL C C 13 175.415 0.000 A 69 VAL CA C 13 62.870 0.008 A 69 VAL CB C 13 30.914 0.012 A 69 VAL CGx C 13 20.492 0.102 A 69 VAL CGy C 13 20.657 0.030 A 69 VAL N N 15 120.375 0.257 A 70 SER H H 1 8.565 0.011 A 70 SER HA H 1 4.488 0.003 A 70 SER HB2 H 1 3.582 0.026 A 70 SER HB3 H 1 3.567 0.003 A 70 SER C C 13 172.616 0.000 A 70 SER CA C 13 57.728 0.077 A 70 SER CB C 13 64.713 0.015 A 70 SER N N 15 121.558 0.015 A 71 ALA H H 1 7.861 0.010 A 71 ALA HA H 1 4.579 0.020 A 71 ALA HB% H 1 1.202 0.010 A 71 ALA C C 13 175.531 0.000 A 71 ALA CA C 13 51.492 0.006 A 71 ALA CB C 13 21.362 0.021 A 71 ALA N N 15 125.848 0.010 A 72 MET H H 1 8.553 0.007 A 72 MET HA H 1 4.879 0.004 A 72 MET HB2 H 1 2.053 0.011 A 72 MET HB3 H 1 2.046 0.014 A 72 MET HE% H 1 2.080 0.020 A 72 MET CA C 13 51.907 0.050 A 72 MET CB C 13 35.595 0.005 A 72 MET CE C 13 16.695 0.000 A 72 MET N N 15 118.991 0.017 A 73 PRO HA H 1 5.006 0.012 A 73 PRO HB2 H 1 2.144 0.017 A 73 PRO HB3 H 1 2.032 0.033 A 73 PRO HG2 H 1 2.056 0.016 A 73 PRO HG3 H 1 2.057 0.015 A 73 PRO C C 13 176.015 0.000 A 73 PRO CA C 13 63.029 0.125 A 73 PRO CB C 13 34.365 0.195 A 73 PRO CG C 13 31.719 0.077 A 74 THR H H 1 7.772 0.018 A 74 THR HA H 1 5.013 0.018 A 74 THR HB H 1 3.785 0.011 A 74 THR HG2% H 1 0.969 0.014 A 74 THR C C 13 171.538 0.000 A 74 THR CA C 13 63.556 0.023 A 74 THR CB C 13 73.238 0.024 A 74 THR CG2 C 13 22.122 0.227 A 74 THR N N 15 114.577 0.074 A 75 LEU H H 1 9.517 0.009 A 75 LEU HA H 1 5.486 0.016 A 75 LEU HBy H 1 1.567 0.028 A 75 LEU HBx H 1 1.552 0.027 A 75 LEU HD1% H 1 0.816 0.023 A 75 LEU HD2% H 1 0.808 0.018 A 75 LEU HG H 1 1.607 0.019 A 75 LEU C C 13 174.827 0.000 A 75 LEU CA C 13 53.322 0.061 A 75 LEU CB C 13 44.149 0.027 A 75 LEU CD2 C 13 25.769 0.032 A 75 LEU CG C 13 28.832 0.108 A 75 LEU N N 15 131.086 0.056 A 76 LEU H H 1 9.214 0.013 A 76 LEU HA H 1 4.903 0.009 A 76 LEU HBx H 1 1.263 0.016 A 76 LEU HBy H 1 1.906 0.019 A 76 LEU HD1% H 1 0.878 0.017 A 76 LEU HD2% H 1 0.857 0.017 A 76 LEU C C 13 174.229 0.000 A 76 LEU CA C 13 53.487 0.047 A 76 LEU CB C 13 46.070 0.045 A 76 LEU CD1 C 13 26.360 0.038 A 76 LEU N N 15 123.573 0.028 A 77 LEU H H 1 8.189 0.012 A 77 LEU HA H 1 5.248 0.006 A 77 LEU HBx H 1 1.281 0.022 A 77 LEU HBy H 1 1.284 0.026 A 77 LEU HD1% H 1 0.574 0.027 A 77 LEU HD2% H 1 0.534 0.018 A 77 LEU HG H 1 1.538 0.025 A 77 LEU C C 13 174.961 0.000 A 77 LEU CA C 13 54.729 0.092 A 77 LEU CB C 13 42.691 0.029 A 77 LEU CD2 C 13 27.863 0.111 A 77 LEU CG C 13 30.582 0.058 A 77 LEU N N 15 123.032 0.017 A 78 PHE H H 1 9.748 0.005 A 78 PHE HA H 1 5.397 0.018 A 78 PHE HB2 H 1 2.793 0.017 A 78 PHE HB3 H 1 2.767 0.024 A 78 PHE HD1 H 1 6.784 0.017 A 78 PHE HD2 H 1 6.784 0.017 A 78 PHE C C 13 174.427 0.000 A 78 PHE CA C 13 56.381 0.027 A 78 PHE CB C 13 44.318 0.046 A 78 PHE CD1 C 13 131.998 0.000 A 78 PHE CD2 C 13 131.998 0.000 A 78 PHE N N 15 121.929 0.047 A 79 LYS H H 1 8.741 0.014 A 79 LYS HA H 1 4.813 0.024 A 79 LYS HB2 H 1 1.619 0.027 A 79 LYS HB3 H 1 1.595 0.025 A 79 LYS C C 13 177.709 0.000 A 79 LYS CA C 13 57.422 0.059 A 79 LYS CB C 13 36.270 0.255 A 79 LYS N N 15 117.221 0.016 A 80 ASN H H 1 8.890 0.009 A 80 ASN HA H 1 4.305 0.009 A 80 ASN HBx H 1 2.622 0.007 A 80 ASN HBy H 1 3.066 0.015 A 80 ASN HD21 H 1 7.364 0.006 A 80 ASN HD22 H 1 6.891 0.003 A 80 ASN C C 13 175.395 0.000 A 80 ASN CA C 13 54.469 0.034 A 80 ASN CB C 13 37.671 0.129 A 80 ASN N N 15 125.563 0.020 A 80 ASN ND2 N 15 111.263 0.012 A 81 GLY H H 1 8.640 0.007 A 81 GLY HAx H 1 3.361 0.011 A 81 GLY HAy H 1 4.080 0.026 A 81 GLY C C 13 173.223 0.000 A 81 GLY CA C 13 45.645 0.040 A 81 GLY N N 15 102.976 0.027 A 82 LYS H H 1 7.583 0.012 A 82 LYS HA H 1 4.723 0.024 A 82 LYS HBx H 1 1.718 0.011 A 82 LYS HBy H 1 1.789 0.017 A 82 LYS HG2 H 1 1.369 0.015 A 82 LYS HG3 H 1 1.356 0.016 A 82 LYS C C 13 174.897 0.000 A 82 LYS CA C 13 54.355 0.203 A 82 LYS CB C 13 35.327 0.110 A 82 LYS CG C 13 24.483 0.075 A 82 LYS N N 15 119.280 0.022 A 83 GLU H H 1 8.818 0.012 A 83 GLU HA H 1 3.859 0.017 A 83 GLU HBx H 1 1.718 0.024 A 83 GLU HBy H 1 1.870 0.004 A 83 GLU HGy H 1 1.651 0.035 A 83 GLU HGx H 1 1.598 0.040 A 83 GLU C C 13 177.249 0.000 A 83 GLU CA C 13 56.959 0.192 A 83 GLU CB C 13 30.512 0.146 A 83 GLU CG C 13 36.480 0.135 A 83 GLU N N 15 125.460 0.018 A 84 VAL H H 1 9.281 0.020 A 84 VAL HA H 1 4.422 0.019 A 84 VAL HB H 1 2.098 0.018 A 84 VAL HGx% H 1 0.890 0.022 A 84 VAL HGy% H 1 0.434 0.014 A 84 VAL C C 13 175.625 0.000 A 84 VAL CA C 13 61.083 0.064 A 84 VAL CB C 13 33.091 0.092 A 84 VAL CGx C 13 18.382 0.046 A 84 VAL CGy C 13 18.576 0.074 A 84 VAL N N 15 121.989 0.014 A 85 ALA H H 1 7.564 0.010 A 85 ALA HA H 1 4.399 0.017 A 85 ALA HB% H 1 1.264 0.012 A 85 ALA C C 13 173.805 0.000 A 85 ALA CA C 13 52.656 0.012 A 85 ALA CB C 13 21.987 0.017 A 85 ALA N N 15 121.284 0.044 A 86 LYS H H 1 8.000 0.008 A 86 LYS HA H 1 4.946 0.011 A 86 LYS HBy H 1 1.668 0.000 A 86 LYS HBx H 1 1.544 0.023 A 86 LYS C C 13 174.999 0.000 A 86 LYS CA C 13 55.339 0.016 A 86 LYS CB C 13 35.605 0.035 A 86 LYS N N 15 119.558 0.042 A 87 VAL H H 1 9.198 0.014 A 87 VAL HA H 1 4.703 0.007 A 87 VAL HB H 1 1.991 0.019 A 87 VAL C C 13 174.516 0.000 A 87 VAL CA C 13 61.379 0.020 A 87 VAL CB C 13 34.187 0.087 A 87 VAL N N 15 126.118 0.085 A 88 VAL H H 1 9.031 0.004 A 88 VAL HA H 1 4.454 0.007 A 88 VAL HB H 1 1.873 0.022 A 88 VAL HG1% H 1 0.640 0.000 A 88 VAL HG2% H 1 0.651 0.012 A 88 VAL C C 13 176.142 0.000 A 88 VAL CA C 13 61.982 0.011 A 88 VAL CB C 13 32.641 0.236 A 88 VAL CG2 C 13 20.464 0.172 A 88 VAL N N 15 128.549 0.008 A 89 GLY H H 1 8.379 0.013 A 89 GLY HAx H 1 3.580 0.011 A 89 GLY HAy H 1 4.468 0.009 A 89 GLY C C 13 173.063 0.000 A 89 GLY CA C 13 43.506 0.033 A 89 GLY N N 15 114.516 0.025 A 90 ALA H H 1 8.592 0.017 A 90 ALA HA H 1 4.195 0.016 A 90 ALA HB% H 1 1.238 0.020 A 90 ALA C C 13 174.897 0.000 A 90 ALA CA C 13 50.439 0.026 A 90 ALA CB C 13 17.881 0.052 A 90 ALA N N 15 122.292 0.040 A 91 ASN H H 1 7.386 0.008 A 91 ASN HA H 1 5.111 0.007 A 91 ASN HBy H 1 2.860 0.014 A 91 ASN HBx H 1 2.595 0.013 A 91 ASN HD21 H 1 7.659 0.039 A 91 ASN HD22 H 1 7.056 0.027 A 91 ASN CA C 13 50.012 0.039 A 91 ASN CB C 13 38.978 0.092 A 91 ASN N N 15 120.220 0.010 A 91 ASN ND2 N 15 112.681 0.130 A 92 PRO HA H 1 4.028 0.037 A 92 PRO HDy H 1 3.627 0.012 A 92 PRO HDx H 1 3.542 0.026 A 92 PRO CA C 13 62.097 0.000 A 92 PRO CD C 13 50.385 0.095 A 93 ALA HA H 1 4.095 0.016 A 93 ALA HB% H 1 1.414 0.009 A 93 ALA C C 13 180.205 0.000 A 93 ALA CA C 13 55.166 0.140 A 93 ALA CB C 13 17.981 0.102 A 94 ALA H H 1 7.223 0.008 A 94 ALA HA H 1 4.061 0.014 A 94 ALA HB% H 1 1.364 0.016 A 94 ALA C C 13 180.917 0.000 A 94 ALA CA C 13 54.260 0.238 A 94 ALA CB C 13 18.798 0.048 A 94 ALA N N 15 120.499 0.006 A 95 ILE H H 1 7.772 0.014 A 95 ILE HA H 1 3.352 0.011 A 95 ILE HB H 1 1.841 0.020 A 95 ILE HG2% H 1 0.656 0.021 A 95 ILE C C 13 176.217 0.000 A 95 ILE CA C 13 65.953 0.111 A 95 ILE CB C 13 38.380 0.021 A 95 ILE CG2 C 13 17.878 0.028 A 95 ILE N N 15 119.397 0.040 A 96 LYS H H 1 8.112 0.012 A 96 LYS HA H 1 3.017 0.011 A 96 LYS HB2 H 1 1.748 0.016 A 96 LYS HB3 H 1 1.752 0.017 A 96 LYS C C 13 177.824 0.000 A 96 LYS CA C 13 60.626 0.027 A 96 LYS CB C 13 32.165 0.042 A 96 LYS N N 15 118.919 0.028 A 97 GLN H H 1 7.686 0.007 A 97 GLN HA H 1 3.852 0.017 A 97 GLN HB2 H 1 1.981 0.025 A 97 GLN HB3 H 1 1.984 0.024 A 97 GLN HE21 H 1 7.337 0.009 A 97 GLN HE22 H 1 6.738 0.020 A 97 GLN C C 13 178.014 0.000 A 97 GLN CA C 13 58.583 0.111 A 97 GLN CB C 13 28.344 0.005 A 97 GLN N N 15 115.480 0.009 A 97 GLN NE2 N 15 111.429 0.220 A 98 ALA H H 1 7.446 0.017 A 98 ALA HA H 1 3.930 0.007 A 98 ALA HB% H 1 1.147 0.013 A 98 ALA C C 13 179.544 0.000 A 98 ALA CA C 13 54.749 0.020 A 98 ALA CB C 13 17.915 0.031 A 98 ALA N N 15 120.911 0.009 A 99 ILE H H 1 7.735 0.014 A 99 ILE HA H 1 3.047 0.011 A 99 ILE HB H 1 1.113 0.018 A 99 ILE HD1% H 1 -0.152 0.008 A 99 ILE HG13 H 1 0.488 0.017 A 99 ILE HG2% H 1 0.497 0.011 A 99 ILE C C 13 177.087 0.000 A 99 ILE CA C 13 65.459 0.028 A 99 ILE CB C 13 38.132 0.012 A 99 ILE CD1 C 13 15.838 0.015 A 99 ILE CG1 C 13 26.053 0.016 A 99 ILE CG2 C 13 14.658 0.004 A 99 ILE N N 15 117.780 0.019 A 100 ALA H H 1 8.214 0.007 A 100 ALA C C 13 180.431 0.000 A 100 ALA CA C 13 55.245 0.000 A 100 ALA CB C 13 18.293 0.000 A 100 ALA N N 15 119.516 0.008 A 101 ALA H H 1 7.619 0.003 A 101 ALA HA H 1 4.070 0.015 A 101 ALA HB% H 1 1.325 0.012 A 101 ALA C C 13 178.213 0.000 A 101 ALA CA C 13 53.884 0.108 A 101 ALA CB C 13 19.043 0.088 A 101 ALA N N 15 115.674 0.048 A 102 ASN H H 1 7.116 0.008 A 102 ASN HA H 1 4.784 0.015 A 102 ASN HBx H 1 2.169 0.020 A 102 ASN HBy H 1 2.521 0.017 A 102 ASN HD21 H 1 8.124 0.017 A 102 ASN HD22 H 1 7.113 0.011 A 102 ASN C C 13 172.740 0.000 A 102 ASN CA C 13 54.300 0.163 A 102 ASN CB C 13 42.889 0.040 A 102 ASN N N 15 115.986 0.000 A 102 ASN ND2 N 15 115.967 0.022 A 103 ALA H H 1 7.481 0.011 A 103 ALA CA C 13 55.393 0.000 A 103 ALA CB C 13 18.868 0.000 A 103 ALA N N 15 129.212 0.022 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 5 PHE HE2 A 23 VAL HG1% 1.0 1.567 2.713 2 1 A 5 PHE HE1 A 23 VAL HG2% 1.0 1.567 2.713 3 1 A 5 PHE HE1 A 23 VAL HG1% 1.0 1.567 2.713 4 1 A 23 VAL HG2% A 5 PHE HE2 1.0 1.567 2.713 5 2 A 26 TYR HD2 A 26 TYR HB2 1.0 1.515 2.545 6 2 A 26 TYR HD1 A 26 TYR HB2 1.0 1.515 2.545 7 2 A 26 TYR HB3 A 26 TYR HD1 1.0 1.515 2.545 8 2 A 26 TYR HB3 A 26 TYR HD2 1.0 1.515 2.545 9 3 A 47 TYR HD1 A 47 TYR HB2 1.0 1.575 2.735 10 3 A 47 TYR HD2 A 47 TYR HB2 1.0 1.575 2.735 11 3 A 47 TYR HB3 A 47 TYR HD2 1.0 1.575 2.735 12 3 A 47 TYR HB3 A 47 TYR HD1 1.0 1.575 2.735 13 4 A 47 TYR HD2 A 46 GLN HB2 1.0 1.772 3.528 14 4 A 47 TYR HD1 A 46 GLN HB2 1.0 1.772 3.528 15 4 A 47 TYR HD2 A 46 GLN HB3 1.0 1.772 3.528 16 4 A 47 TYR HD1 A 46 GLN HB3 1.0 1.772 3.528 17 5 A 46 GLN HB2 A 47 TYR HE2 1.0 1.829 3.833 18 5 A 46 GLN HB2 A 47 TYR HE1 1.0 1.829 3.833 19 5 A 46 GLN HB3 A 47 TYR HE2 1.0 1.829 3.833 20 5 A 46 GLN HB3 A 47 TYR HE1 1.0 1.829 3.833 21 6 A 15 ILE HD1% A 15 ILE HG1y 1.0 1.602 2.832 22 6 A 15 ILE HD1% A 15 ILE HG1x 1.0 1.602 2.832 23 7 A 23 VAL HG2% A 15 ILE HD1% 1.0 1.470 2.412 24 7 A 15 ILE HD1% A 14 ALA HB% 1.0 1.470 2.412 25 8 A 27 ALA HB% A 29 TRP HZ2 1.0 1.768 3.506 26 8 A 29 TRP HD1 A 27 ALA HB% 1.0 1.768 3.506 27 9 A 27 ALA HB% A 30 CYS H 1.0 1.749 3.419 28 9 A 27 ALA HB% A 29 TRP H 1.0 1.749 3.419 29 10 A 37 ALA HB% A 34 LYS HB2 1.0 1.761 3.477 30 10 A 37 ALA HB% A 34 LYS HB3 1.0 1.761 3.477 31 11 A 101 ALA HA A 101 ALA HB% 1.0 1.356 2.106 32 11 A 94 ALA HA A 94 ALA HB% 1.0 1.356 2.106 33 12 A 94 ALA HA A 97 GLN HB3 1.0 1.463 2.391 34 12 A 94 ALA HA A 97 GLN HB2 1.0 1.463 2.391 35 13 A 78 PHE HA A 78 PHE HB3 1.0 1.612 2.866 36 13 A 78 PHE HA A 78 PHE HB2 1.0 1.612 2.866 37 14 A 78 PHE HB3 A 78 PHE HD1 1.0 1.708 3.234 38 14 A 78 PHE HB2 A 78 PHE HD1 1.0 1.708 3.234 39 14 A 78 PHE HB2 A 78 PHE HD2 1.0 1.708 3.234 40 14 A 78 PHE HB3 A 78 PHE HD2 1.0 1.708 3.234 41 15 A 23 VAL HG2% A 78 PHE HB3 1.0 1.785 3.591 42 15 A 78 PHE HB3 A 15 ILE HB 1.0 1.785 3.591 43 15 A 78 PHE HB2 A 15 ILE HB 1.0 1.785 3.591 44 16 A 13 SER HA A 13 SER HB2 1.0 1.482 2.448 45 16 A 13 SER HA A 13 SER HB3 1.0 1.482 2.448 46 17 A 30 CYS H A 28 THR HA 1.0 1.784 3.590 47 17 A 29 TRP H A 28 THR HA 1.0 1.784 3.590 48 18 A 26 TYR HB2 A 26 TYR HA 1.0 1.808 3.714 49 18 A 26 TYR HB3 A 26 TYR HA 1.0 1.808 3.714 50 19 A 47 TYR HB2 A 47 TYR HA 1.0 1.611 2.861 51 19 A 47 TYR HB3 A 47 TYR HA 1.0 1.611 2.861 52 20 A 12 ASP HA A 12 ASP HBy 1.0 1.501 2.503 53 20 A 12 ASP HA A 12 ASP HBx 1.0 1.501 2.503 54 21 A 12 ASP HBy A 12 ASP H 1.0 1.743 3.391 55 21 A 12 ASP HBx A 12 ASP H 1.0 1.743 3.391 56 22 A 58 ASP HA A 58 ASP HB3 1.0 1.589 2.783 57 22 A 58 ASP HB2 A 58 ASP HA 1.0 1.589 2.783 58 23 A 62 ASP HA A 65 GLN HB2 1.0 1.532 2.598 59 23 A 49 GLN HA A 49 GLN HBy 1.0 1.532 2.598 60 24 A 29 TRP H A 29 TRP HA 1.0 1.662 3.048 61 24 A 30 CYS H A 29 TRP HA 1.0 1.662 3.048 62 25 A 102 ASN HBx A 102 ASN H 1.0 1.733 3.343 63 25 A 102 ASN HBx A 102 ASN HD22 1.0 1.733 3.343 64 26 A 46 GLN HB2 A 46 GLN HA 1.0 1.495 2.487 65 26 A 46 GLN HB3 A 46 GLN HA 1.0 1.495 2.487 66 27 A 46 GLN HB3 A 46 GLN HGy 1.0 1.545 2.639 67 27 A 46 GLN HB2 A 46 GLN HGy 1.0 1.545 2.639 68 28 A 49 GLN HBy A 49 GLN HG3 1.0 1.731 3.333 69 28 A 49 GLN HBy A 49 GLN HG2 1.0 1.731 3.333 70 29 A 49 GLN HG2 A 49 GLN HBx 1.0 1.407 2.237 71 29 A 49 GLN HG3 A 49 GLN HBx 1.0 1.407 2.237 72 30 A 49 GLN HG2 A 49 GLN HE21 1.0 1.742 3.386 73 30 A 49 GLN HG3 A 49 GLN HE21 1.0 1.742 3.386 74 31 A 65 GLN HB2 A 65 GLN HA 1.0 1.522 2.568 75 31 A 65 GLN HA A 65 GLN HB3 1.0 1.522 2.568 76 32 A 39 MET HA A 39 MET HB3 1.0 1.794 3.642 77 32 A 39 MET HB2 A 39 MET HA 1.0 1.794 3.642 78 33 A 97 GLN HB2 A 97 GLN HA 1.0 1.465 2.395 79 33 A 97 GLN HB3 A 97 GLN HA 1.0 1.465 2.395 80 34 A 10 GLU HA A 10 GLU HB3 1.0 1.840 3.900 81 34 A 10 GLU HB2 A 10 GLU HA 1.0 1.840 3.900 82 35 A 10 GLU HA A 11 PHE H 1.0 1.812 3.734 83 35 A 5 PHE HE2 A 10 GLU HA 1.0 1.812 3.734 84 35 A 5 PHE HE1 A 10 GLU HA 1.0 1.812 3.734 85 36 A 41 GLU HB3 A 41 GLU H 1.0 1.603 2.833 86 36 A 41 GLU HB2 A 41 GLU H 1.0 1.603 2.833 87 37 A 41 GLU HB2 A 41 GLU HA 1.0 1.557 2.679 88 37 A 41 GLU HB3 A 41 GLU HA 1.0 1.557 2.679 89 38 A 45 GLU HA A 45 GLU HG2 1.0 1.418 2.264 90 38 A 45 GLU HA A 45 GLU HB3 1.0 1.418 2.264 91 39 A 68 GLU HBy A 68 GLU H 1.0 1.915 4.431 92 39 A 69 VAL H A 68 GLU HBy 1.0 1.915 4.431 93 40 A 83 GLU H A 83 GLU HGx 1.0 1.835 3.865 94 40 A 83 GLU HGy A 83 GLU H 1.0 1.835 3.865 95 41 A 20 LEU HBx A 20 LEU HD2% 1.0 1.350 2.088 96 41 A 20 LEU HD2% A 77 LEU HBx 1.0 1.350 2.088 97 42 A 55 LEU HA A 55 LEU HBy 1.0 1.621 2.897 98 42 A 55 LEU HA A 55 LEU HBx 1.0 1.621 2.897 99 43 A 55 LEU HBx A 55 LEU HD1% 1.0 1.694 3.176 100 43 A 55 LEU HBy A 55 LEU HD2% 1.0 1.694 3.176 101 44 A 55 LEU HD1% A 60 LEU HBx 1.0 1.673 3.093 102 44 A 55 LEU HD2% A 60 LEU HBx 1.0 1.673 3.093 103 45 A 75 LEU HA A 75 LEU HBy 1.0 1.549 2.653 104 45 A 54 LYS HA A 54 LYS HB2 1.0 1.549 2.653 105 46 A 75 LEU HA A 75 LEU HBy 1.0 1.776 3.546 106 46 A 75 LEU HA A 75 LEU HBx 1.0 1.776 3.546 107 47 A 75 LEU HBy A 76 LEU H 1.0 1.835 3.867 108 47 A 75 LEU HBx A 87 VAL H 1.0 1.835 3.867 109 48 A 75 LEU HBx A 24 ALA HA 1.0 1.886 4.206 110 48 A 75 LEU HBx A 74 THR HA 1.0 1.886 4.206 111 49 A 75 LEU HBx A 74 THR HA 1.0 1.924 4.516 112 49 A 75 LEU HBx A 24 ALA HA 1.0 1.924 4.516 113 49 A 75 LEU HBy A 24 ALA HA 1.0 1.924 4.516 114 50 A 75 LEU HBy A 75 LEU HD2% 1.0 1.651 3.009 115 50 A 75 LEU HBx A 75 LEU HD1% 1.0 1.651 3.009 116 51 A 75 LEU HBy A 75 LEU HD2% 1.0 1.703 3.211 117 51 A 75 LEU HBx A 75 LEU HD2% 1.0 1.703 3.211 118 52 A 75 LEU HD2% A 75 LEU HG 1.0 1.529 2.589 119 52 A 75 LEU HBy A 75 LEU HD2% 1.0 1.529 2.589 120 53 A 76 LEU HBy A 76 LEU HD1% 1.0 1.735 3.353 121 53 A 76 LEU HBy A 76 LEU HD2% 1.0 1.735 3.353 122 54 A 77 LEU HA A 77 LEU HBy 1.0 1.616 2.878 123 54 A 77 LEU HBx A 77 LEU HA 1.0 1.616 2.878 124 55 A 77 LEU HD2% A 85 ALA HB% 1.0 1.427 2.291 125 55 A 77 LEU HBy A 77 LEU HD2% 1.0 1.427 2.291 126 56 A 77 LEU HD2% A 77 LEU HG 1.0 1.515 2.547 127 56 A 77 LEU HG A 77 LEU HD1% 1.0 1.515 2.547 128 57 A 78 PHE HB2 A 15 ILE HA 1.0 1.792 3.632 129 57 A 78 PHE HB3 A 15 ILE HA 1.0 1.792 3.632 130 58 A 15 ILE HA A 16 ALA H 1.0 1.819 3.775 131 58 A 5 PHE HE1 A 13 SER HB2 1.0 1.819 3.775 132 58 A 5 PHE HE2 A 13 SER HB2 1.0 1.819 3.775 133 59 A 15 ILE HG1y A 15 ILE HB 1.0 1.663 3.051 134 59 A 15 ILE HG1x A 15 ILE HB 1.0 1.663 3.051 135 60 A 15 ILE HD1% A 78 PHE HD2 1.0 1.728 3.322 136 60 A 15 ILE HD1% A 11 PHE HD1 1.0 1.728 3.322 137 60 A 15 ILE HD1% A 11 PHE HD2 1.0 1.728 3.322 138 60 A 15 ILE HD1% A 78 PHE HD1 1.0 1.728 3.322 139 61 A 15 ILE HG1x A 16 ALA H 1.0 1.862 4.034 140 61 A 15 ILE HG1y A 16 ALA H 1.0 1.862 4.034 141 62 A 36 ILE HB A 36 ILE HG12 1.0 1.639 2.963 142 62 A 36 ILE HB A 36 ILE HG13 1.0 1.639 2.963 143 63 A 63 VAL HA A 63 VAL HB 1.0 1.546 2.644 144 63 A 95 ILE HA A 95 ILE HB 1.0 1.546 2.644 145 64 A 77 LEU HD2% A 99 ILE HA 1.0 1.482 2.446 146 64 A 99 ILE HA A 99 ILE HG2% 1.0 1.482 2.446 147 65 A 99 ILE HA A 98 ALA HB% 1.0 1.656 3.028 148 65 A 99 ILE HA A 99 ILE HB 1.0 1.656 3.028 149 66 A 38 PRO HA A 38 PRO HB2 1.0 1.449 2.353 150 66 A 38 PRO HB3 A 38 PRO HA 1.0 1.449 2.353 151 67 A 26 TYR HB2 A 73 PRO HA 1.0 1.653 3.015 152 67 A 26 TYR HB3 A 73 PRO HA 1.0 1.653 3.015 153 68 A 17 GLN HBy A 17 GLN HG3 1.0 1.566 2.706 154 68 A 17 GLN HG2 A 17 GLN HBy 1.0 1.566 2.706 155 69 A 17 GLN HG3 A 21 VAL HG2% 1.0 1.882 4.176 156 69 A 17 GLN HG3 A 21 VAL HG1% 1.0 1.882 4.176 157 69 A 17 GLN HG2 A 21 VAL HG2% 1.0 1.882 4.176 158 70 A 73 PRO HA A 73 PRO HB3 1.0 1.789 3.613 159 70 A 73 PRO HA A 73 PRO HB2 1.0 1.789 3.613 160 71 A 73 PRO HB3 A 74 THR H 1.0 1.900 4.306 161 71 A 73 PRO HB2 A 74 THR H 1.0 1.900 4.306 162 72 A 73 PRO HA A 73 PRO HB3 1.0 1.655 3.021 163 72 A 73 PRO HA A 72 MET HB3 1.0 1.655 3.021 164 73 A 69 VAL HB A 69 VAL HGx% 1.0 1.508 2.522 165 73 A 69 VAL HGx% A 64 ALA HB% 1.0 1.508 2.522 166 74 A 2 VAL HGx% A 52 PHE HBx 1.0 1.654 3.018 167 74 A 25 PHE HBx A 69 VAL HGy% 1.0 1.654 3.018 168 75 A 69 VAL HB A 69 VAL HGy% 1.0 1.451 2.359 169 75 A 64 ALA HB% A 69 VAL HGy% 1.0 1.451 2.359 170 76 A 21 VAL HG2% A 21 VAL HB 1.0 1.527 2.583 171 76 A 21 VAL HG1% A 21 VAL HB 1.0 1.527 2.583 172 77 A 23 VAL HG2% A 23 VAL HB 1.0 1.602 2.830 173 77 A 23 VAL HG1% A 23 VAL HB 1.0 1.602 2.830 174 78 A 72 MET H A 72 MET HB2 1.0 1.869 4.087 175 78 A 72 MET HB3 A 72 MET H 1.0 1.869 4.087 176 79 A 72 MET HB2 A 72 MET HA 1.0 1.723 3.301 177 79 A 72 MET HB3 A 72 MET HA 1.0 1.723 3.301 178 80 A 35 MET HE% A 35 MET HA 1.0 1.813 3.743 179 80 A 35 MET HE% A 90 ALA HA 1.0 1.813 3.743 180 81 A 99 ILE HB A 99 ILE HD1% 1.0 1.491 2.471 181 81 A 98 ALA HB% A 99 ILE HD1% 1.0 1.491 2.471 182 82 A 7 THR HB A 10 GLU H 1.0 1.841 3.901 183 82 A 7 THR HB A 7 THR H 1.0 1.841 3.901 184 83 A 7 THR HB A 9 SER HB2 1.0 1.858 4.014 185 83 A 7 THR HB A 9 SER HB3 1.0 1.858 4.014 186 84 A 83 GLU HA A 15 ILE HG2% 1.0 1.766 3.494 187 84 A 12 ASP HA A 15 ILE HG2% 1.0 1.766 3.494 188 85 A 14 ALA HA A 16 ALA H 1.0 1.841 3.901 189 85 A 5 PHE HE2 A 14 ALA HA 1.0 1.841 3.901 190 85 A 5 PHE HE1 A 14 ALA HA 1.0 1.841 3.901 191 86 A 55 LEU HD2% A 25 PHE HA 1.0 1.810 3.724 192 86 A 69 VAL HGy% A 25 PHE HA 1.0 1.810 3.724 193 87 A 36 ILE HG13 A 36 ILE HA 1.0 1.710 3.244 194 87 A 36 ILE HG12 A 36 ILE HA 1.0 1.710 3.244 195 88 A 65 GLN HG3 A 63 VAL H 1.0 1.866 4.066 196 88 A 65 GLN HG3 A 64 ALA H 1.0 1.866 4.066 197 88 A 65 GLN HG2 A 63 VAL H 1.0 1.866 4.066 198 88 A 65 GLN HG2 A 64 ALA H 1.0 1.866 4.066 199 89 A 49 GLN HA A 49 GLN HG3 1.0 1.884 4.194 200 89 A 49 GLN HA A 49 GLN HG2 1.0 1.884 4.194 201 90 A 49 GLN HG3 A 50 ALA HB% 1.0 1.873 4.113 202 90 A 49 GLN HG2 A 50 ALA HB% 1.0 1.873 4.113 203 91 A 53 TYR HA A 53 TYR HBy 1.0 1.648 2.996 204 91 A 53 TYR HA A 53 TYR HBx 1.0 1.648 2.996 205 92 A 55 LEU HD2% A 59 GLU HB3 1.0 1.892 4.244 206 92 A 55 LEU HD2% A 59 GLU HB2 1.0 1.892 4.244 207 93 A 63 VAL HB A 63 VAL H 1.0 1.569 2.715 208 93 A 63 VAL HB A 64 ALA H 1.0 1.569 2.715 209 94 A 69 VAL HGy% A 64 ALA HA 1.0 1.787 3.601 210 94 A 55 LEU HD2% A 64 ALA HA 1.0 1.787 3.601 211 95 A 65 GLN HA A 67 ASN H 1.0 1.750 3.424 212 95 A 67 ASN H A 66 LYS HA 1.0 1.750 3.424 213 96 A 39 MET HB2 A 90 ALA HB% 1.0 1.781 3.571 214 96 A 39 MET HB3 A 90 ALA HB% 1.0 1.781 3.571 215 97 A 69 VAL HB A 67 ASN HBy 1.0 1.887 4.213 216 97 A 67 ASN HBy A 66 LYS HG2 1.0 1.887 4.213 217 98 A 70 SER HA A 70 SER HB3 1.0 1.575 2.735 218 98 A 70 SER HA A 70 SER HB2 1.0 1.575 2.735 219 99 A 74 THR HG2% A 76 LEU H 1.0 1.833 3.859 220 99 A 87 VAL H A 74 THR HG2% 1.0 1.833 3.859 221 100 A 77 LEU HA A 21 VAL H 1.0 1.874 4.118 222 100 A 77 LEU HA A 76 LEU H 1.0 1.874 4.118 223 101 A 77 LEU HBy A 77 LEU HD2% 1.0 1.689 3.155 224 101 A 77 LEU HBx A 77 LEU HD2% 1.0 1.689 3.155 225 101 A 77 LEU HBy A 77 LEU HD1% 1.0 1.689 3.155 226 102 A 78 PHE HA A 82 LYS H 1.0 1.856 3.998 227 102 A 78 PHE HA A 85 ALA H 1.0 1.856 3.998 228 103 A 78 PHE HA A 76 LEU HD2% 1.0 1.807 3.709 229 103 A 78 PHE HA A 21 VAL HG2% 1.0 1.807 3.709 230 104 A 80 ASN HBx A 82 LYS HG3 1.0 1.891 4.241 231 104 A 80 ASN HBx A 82 LYS HG2 1.0 1.891 4.241 232 105 A 83 GLU HGx A 84 VAL HGy% 1.0 1.844 3.922 233 105 A 83 GLU HGy A 84 VAL HGy% 1.0 1.844 3.922 234 106 A 85 ALA HB% A 84 VAL HB 1.0 1.748 3.416 235 106 A 77 LEU HBx A 84 VAL HB 1.0 1.748 3.416 236 107 A 102 ASN HD22 A 84 VAL HGy% 1.0 1.896 4.282 237 107 A 84 VAL HGy% A 102 ASN H 1.0 1.896 4.282 238 108 A 84 VAL HGy% A 102 ASN HA 1.0 1.910 4.394 239 108 A 84 VAL HGy% A 79 LYS HA 1.0 1.910 4.394 240 109 A 89 GLY HAy A 36 ILE HD1% 1.0 1.915 4.433 241 109 A 75 LEU HD1% A 89 GLY HAy 1.0 1.915 4.433 242 110 A 90 ALA HB% A 91 ASN H 1.0 1.778 3.556 243 110 A 90 ALA HB% A 36 ILE H 1.0 1.778 3.556 244 111 A 90 ALA HB% A 73 PRO HG3 1.0 1.690 3.162 245 111 A 73 PRO HB2 A 90 ALA HB% 1.0 1.690 3.162 246 111 A 90 ALA HB% A 73 PRO HG2 1.0 1.690 3.162 247 112 A 98 ALA HA A 102 ASN H 1.0 1.748 3.414 248 112 A 102 ASN HD22 A 98 ALA HA 1.0 1.748 3.414 249 113 A 6 LYS HA A 6 LYS HB3 1.0 1.755 3.443 250 113 A 6 LYS HB2 A 6 LYS HA 1.0 1.755 3.443 251 114 A 19 LYS HA A 19 LYS HB3 1.0 1.428 2.296 252 114 A 19 LYS HB2 A 19 LYS HA 1.0 1.428 2.296 253 115 A 19 LYS HB3 A 19 LYS H 1.0 1.846 3.930 254 115 A 19 LYS H A 17 GLN HBx 1.0 1.846 3.930 255 116 A 17 GLN HG2 A 17 GLN HBx 1.0 1.743 3.387 256 116 A 17 GLN HG3 A 17 GLN HBx 1.0 1.743 3.387 257 117 A 19 LYS HB2 A 19 LYS HG2 1.0 1.531 2.593 258 117 A 19 LYS HB3 A 19 LYS HG2 1.0 1.531 2.593 259 117 A 19 LYS HB2 A 19 LYS HG3 1.0 1.531 2.593 260 117 A 19 LYS HB3 A 19 LYS HG3 1.0 1.531 2.593 261 118 A 17 GLN HG2 A 19 LYS HDx 1.0 1.920 4.478 262 118 A 17 GLN HG3 A 19 LYS HDx 1.0 1.920 4.478 263 119 A 42 LYS HA A 42 LYS HB3 1.0 1.459 2.379 264 119 A 42 LYS HA A 42 LYS HB2 1.0 1.459 2.379 265 120 A 11 PHE HB3 A 66 LYS HG3 1.0 1.745 3.401 266 120 A 66 LYS HG2 A 11 PHE HB3 1.0 1.745 3.401 267 121 A 79 LYS HA A 79 LYS HB2 1.0 1.563 2.699 268 121 A 79 LYS HA A 79 LYS HB3 1.0 1.563 2.699 269 122 A 95 ILE HG2% A 95 ILE H 1.0 1.782 3.580 270 122 A 95 ILE HG2% A 99 ILE H 1.0 1.782 3.580 271 123 A 38 PRO HB2 A 38 PRO HD2 1.0 1.715 3.263 272 123 A 38 PRO HB3 A 38 PRO HD3 1.0 1.715 3.263 273 123 A 38 PRO HB3 A 38 PRO HD2 1.0 1.715 3.263 274 123 A 38 PRO HB2 A 38 PRO HD3 1.0 1.715 3.263 275 124 A 33 CYS HA A 33 CYS HB2 1.0 1.636 2.952 276 124 A 33 CYS HB3 A 33 CYS HA 1.0 1.636 2.952 277 125 A 83 GLU H A 82 LYS HG3 1.0 1.947 4.749 278 125 A 83 GLU H A 82 LYS HG2 1.0 1.947 4.749 279 126 A 81 GLY H A 16 ALA HA 1.0 1.630 2.930 280 126 A 81 GLY H A 81 GLY HAy 1.0 1.630 2.930 281 127 A 11 PHE HB2 A 11 PHE H 1.0 1.663 3.055 282 127 A 11 PHE HB3 A 11 PHE H 1.0 1.663 3.055 283 128 A 75 LEU HBy A 25 PHE H 1.0 1.961 4.927 284 128 A 75 LEU HBx A 25 PHE H 1.0 1.961 4.927 285 129 A 9 SER HB2 A 9 SER H 1.0 1.853 3.977 286 129 A 9 SER HB3 A 9 SER H 1.0 1.853 3.977 287 130 A 45 GLU HB3 A 44 SER H 1.0 1.940 4.680 288 130 A 44 SER H A 45 GLU HB2 1.0 1.940 4.680 289 131 A 30 CYS H A 29 TRP HA 1.0 1.845 3.925 290 131 A 30 CYS H A 30 CYS HA 1.0 1.845 3.925 291 132 A 46 GLN HB3 A 46 GLN H 1.0 1.662 3.050 292 132 A 45 GLU HB2 A 46 GLN H 1.0 1.662 3.050 293 133 A 49 GLN HG2 A 49 GLN H 1.0 1.852 3.968 294 133 A 49 GLN HG3 A 49 GLN H 1.0 1.852 3.968 295 134 A 65 GLN HG2 A 65 GLN H 1.0 1.823 3.797 296 134 A 65 GLN HG3 A 65 GLN H 1.0 1.823 3.797 297 135 A 97 GLN HB3 A 97 GLN H 1.0 1.545 2.637 298 135 A 97 GLN HB2 A 97 GLN H 1.0 1.545 2.637 299 136 A 10 GLU HA A 10 GLU H 1.0 1.673 3.091 300 136 A 10 GLU H A 9 SER HB2 1.0 1.673 3.091 301 137 A 45 GLU HB2 A 45 GLU H 1.0 1.632 2.936 302 137 A 45 GLU HB3 A 45 GLU H 1.0 1.632 2.936 303 138 A 59 GLU HB3 A 59 GLU H 1.0 1.666 3.064 304 138 A 59 GLU HB2 A 59 GLU H 1.0 1.666 3.064 305 139 A 26 TYR HB3 A 74 THR H 1.0 1.939 4.661 306 139 A 68 GLU H A 67 ASN HBy 1.0 1.939 4.661 307 140 A 83 GLU H A 83 GLU HBy 1.0 1.590 2.790 308 140 A 83 GLU H A 82 LYS HBy 1.0 1.590 2.790 309 141 A 55 LEU HBy A 55 LEU H 1.0 1.731 3.335 310 141 A 55 LEU HBx A 55 LEU H 1.0 1.731 3.335 311 142 A 64 ALA HB% A 61 GLY H 1.0 1.892 4.252 312 142 A 60 LEU HBx A 61 GLY H 1.0 1.892 4.252 313 143 A 75 LEU HD1% A 76 LEU H 1.0 1.806 3.702 314 143 A 76 LEU HD1% A 76 LEU H 1.0 1.806 3.702 315 143 A 76 LEU HD2% A 76 LEU H 1.0 1.806 3.702 316 144 A 86 LYS HBy A 77 LEU H 1.0 1.781 3.573 317 144 A 77 LEU HG A 77 LEU H 1.0 1.781 3.573 318 145 A 58 ASP HB3 A 57 VAL H 1.0 1.901 4.321 319 145 A 57 VAL H A 56 ASP HBy 1.0 1.901 4.321 320 145 A 58 ASP HB2 A 57 VAL H 1.0 1.901 4.321 321 146 A 87 VAL H A 77 LEU H 1.0 1.909 4.387 322 146 A 77 LEU H A 76 LEU H 1.0 1.909 4.387 323 147 A 36 ILE HA A 36 ILE H 1.0 1.761 3.471 324 147 A 35 MET HA A 36 ILE H 1.0 1.761 3.471 325 148 A 36 ILE HG13 A 36 ILE H 1.0 1.811 3.729 326 148 A 36 ILE HG12 A 36 ILE H 1.0 1.811 3.729 327 149 A 77 LEU HD2% A 99 ILE H 1.0 1.782 3.578 328 149 A 99 ILE HG2% A 99 ILE H 1.0 1.782 3.578 329 150 A 75 LEU HBy A 23 VAL H 1.0 1.887 4.215 330 150 A 77 LEU HG A 23 VAL H 1.0 1.887 4.215 331 151 A 22 VAL HB A 23 VAL H 1.0 1.978 5.188 332 151 A 76 LEU HBx A 23 VAL H 1.0 1.978 5.188 333 152 A 2 VAL H A 1 MET HGy 1.0 1.969 5.037 334 152 A 2 VAL H A 1 MET HGx 1.0 1.969 5.037 335 153 A 10 GLU HB2 A 6 LYS H 1.0 1.931 4.583 336 153 A 10 GLU HB3 A 6 LYS H 1.0 1.931 4.583 337 154 A 6 LYS H A 6 LYS HG2 1.0 1.710 3.242 338 154 A 6 LYS H A 6 LYS HG3 1.0 1.710 3.242 339 155 A 7 THR H A 6 LYS HG3 1.0 1.790 3.620 340 155 A 7 THR H A 6 LYS HG2 1.0 1.790 3.620 341 156 A 10 GLU H A 8 ALA H 1.0 1.963 4.947 342 156 A 7 THR H A 8 ALA H 1.0 1.963 4.947 343 157 A 10 GLU H A 11 PHE HB2 1.0 1.964 4.964 344 157 A 10 GLU H A 11 PHE HB3 1.0 1.964 4.964 345 158 A 12 ASP HBy A 11 PHE H 1.0 1.903 4.339 346 158 A 10 GLU HGy A 11 PHE H 1.0 1.903 4.339 347 159 A 13 SER HB3 A 13 SER H 1.0 1.595 2.807 348 159 A 13 SER HB2 A 13 SER H 1.0 1.595 2.807 349 160 A 13 SER H A 11 PHE H 1.0 1.920 4.480 350 160 A 13 SER H A 16 ALA H 1.0 1.920 4.480 351 161 A 14 ALA H A 16 ALA H 1.0 1.890 4.230 352 161 A 11 PHE H A 14 ALA H 1.0 1.890 4.230 353 162 A 14 ALA HA A 15 ILE H 1.0 1.856 3.996 354 162 A 13 SER HA A 15 ILE H 1.0 1.856 3.996 355 163 A 16 ALA HA A 16 ALA H 1.0 1.689 3.157 356 163 A 13 SER HA A 16 ALA H 1.0 1.689 3.157 357 164 A 17 GLN H A 16 ALA H 1.0 1.586 2.774 358 164 A 15 ILE H A 16 ALA H 1.0 1.586 2.774 359 165 A 81 GLY H A 17 GLN H 1.0 1.900 4.312 360 165 A 17 GLN H A 18 ASP H 1.0 1.900 4.312 361 166 A 17 GLN HBx A 18 ASP H 1.0 1.885 4.201 362 166 A 19 LYS HB3 A 18 ASP H 1.0 1.885 4.201 363 167 A 17 GLN HG3 A 19 LYS H 1.0 1.943 4.711 364 167 A 17 GLN HG2 A 19 LYS H 1.0 1.943 4.711 365 168 A 50 ALA HB% A 52 PHE H 1.0 1.963 4.951 366 168 A 55 LEU HBy A 26 TYR H 1.0 1.963 4.951 367 169 A 29 TRP HD1 A 30 CYS H 1.0 1.949 4.769 368 169 A 30 CYS H A 29 TRP HZ3 1.0 1.949 4.769 369 170 A 36 ILE H A 34 LYS HA 1.0 1.920 4.486 370 170 A 36 ILE H A 33 CYS HA 1.0 1.920 4.486 371 171 A 36 ILE HA A 37 ALA H 1.0 1.888 4.216 372 171 A 35 MET HA A 37 ALA H 1.0 1.888 4.216 373 172 A 38 PRO HA A 39 MET H 1.0 1.807 3.711 374 172 A 36 ILE HA A 39 MET H 1.0 1.807 3.711 375 173 A 44 SER H A 42 LYS H 1.0 1.808 3.712 376 173 A 44 SER H A 47 TYR H 1.0 1.808 3.712 377 173 A 44 SER H A 46 GLN H 1.0 1.808 3.712 378 174 A 47 TYR HB2 A 46 GLN H 1.0 1.967 5.001 379 174 A 47 TYR HB3 A 46 GLN H 1.0 1.967 5.001 380 175 A 47 TYR H A 44 SER HBy 1.0 1.854 3.982 381 175 A 47 TYR H A 43 PHE HA 1.0 1.854 3.982 382 176 A 2 VAL HGx% A 52 PHE H 1.0 1.956 4.862 383 176 A 55 LEU HD2% A 26 TYR H 1.0 1.956 4.862 384 177 A 36 ILE H A 37 ALA H 1.0 1.713 3.259 385 177 A 36 ILE H A 35 MET H 1.0 1.713 3.259 386 178 A 49 GLN HBy A 50 ALA H 1.0 1.800 3.674 387 178 A 49 GLN HBx A 50 ALA H 1.0 1.800 3.674 388 179 A 52 PHE H A 51 ASP HBx 1.0 1.809 3.721 389 179 A 52 PHE HBx A 52 PHE H 1.0 1.809 3.721 390 180 A 23 VAL HG1% A 53 TYR H 1.0 1.950 4.778 391 180 A 23 VAL HG2% A 53 TYR H 1.0 1.950 4.778 392 181 A 55 LEU HBy A 56 ASP H 1.0 1.866 4.064 393 181 A 55 LEU HBx A 56 ASP H 1.0 1.866 4.064 394 182 A 82 LYS H A 82 LYS HG2 1.0 1.826 3.814 395 182 A 82 LYS H A 82 LYS HG3 1.0 1.826 3.814 396 183 A 56 ASP HBy A 60 LEU H 1.0 1.971 5.065 397 183 A 58 ASP HB3 A 60 LEU H 1.0 1.971 5.065 398 184 A 59 GLU HB3 A 60 LEU H 1.0 1.717 3.277 399 184 A 59 GLU HB2 A 60 LEU H 1.0 1.717 3.277 400 185 A 66 LYS HG2 A 66 LYS H 1.0 1.717 3.273 401 185 A 66 LYS HG3 A 66 LYS H 1.0 1.717 3.273 402 186 A 67 ASN H A 66 LYS HG3 1.0 1.884 4.184 403 186 A 64 ALA HB% A 67 ASN H 1.0 1.884 4.184 404 187 A 67 ASN H A 66 LYS HB2 1.0 1.820 3.782 405 187 A 67 ASN H A 66 LYS HB3 1.0 1.820 3.782 406 188 A 68 GLU H A 64 ALA HB% 1.0 1.917 4.453 407 188 A 68 GLU H A 69 VAL HB 1.0 1.917 4.453 408 189 A 69 VAL H A 67 ASN HBx 1.0 1.835 3.865 409 189 A 69 VAL H A 68 GLU HBy 1.0 1.835 3.865 410 190 A 33 CYS HB3 A 34 LYS H 1.0 1.961 4.923 411 190 A 69 VAL H A 67 ASN HBy 1.0 1.961 4.923 412 191 A 79 LYS HB2 A 81 GLY H 1.0 1.990 5.466 413 191 A 79 LYS HB3 A 81 GLY H 1.0 1.990 5.466 414 192 A 82 LYS H A 81 GLY HAx 1.0 1.876 4.134 415 192 A 59 GLU H A 57 VAL HA 1.0 1.876 4.134 416 193 A 83 GLU HGx A 84 VAL H 1.0 1.792 3.626 417 193 A 83 GLU HGy A 84 VAL H 1.0 1.792 3.626 418 194 A 77 LEU HBx A 84 VAL H 1.0 1.910 4.396 419 194 A 77 LEU HBy A 84 VAL H 1.0 1.910 4.396 420 194 A 85 ALA HB% A 84 VAL H 1.0 1.910 4.396 421 195 A 76 LEU HD2% A 84 VAL H 1.0 1.784 3.590 422 195 A 84 VAL H A 84 VAL HGx% 1.0 1.784 3.590 423 196 A 77 LEU HBy A 85 ALA H 1.0 1.662 3.050 424 196 A 85 ALA HB% A 85 ALA H 1.0 1.662 3.050 425 197 A 85 ALA H A 85 ALA HA 1.0 1.678 3.112 426 197 A 85 ALA H A 84 VAL HA 1.0 1.678 3.112 427 198 A 89 GLY HAy A 89 GLY H 1.0 1.552 2.660 428 198 A 89 GLY H A 88 VAL HA 1.0 1.552 2.660 429 199 A 91 ASN H A 91 ASN HBy 1.0 1.772 3.530 430 199 A 91 ASN H A 91 ASN HBx 1.0 1.772 3.530 431 200 A 36 ILE HD1% A 91 ASN H 1.0 1.761 3.471 432 200 A 75 LEU HD2% A 91 ASN H 1.0 1.761 3.471 433 200 A 75 LEU HD1% A 91 ASN H 1.0 1.761 3.471 434 201 A 42 LYS HA A 42 LYS H 1.0 1.701 3.205 435 201 A 98 ALA HA A 98 ALA H 1.0 1.701 3.205 436 202 A 97 GLN HB3 A 98 ALA H 1.0 1.677 3.109 437 202 A 97 GLN HB2 A 98 ALA H 1.0 1.677 3.109 438 203 A 100 ALA H A 99 ILE HG1x 1.0 1.902 4.326 439 203 A 99 ILE HG2% A 100 ALA H 1.0 1.902 4.326 440 204 A 100 ALA H A 102 ASN H 1.0 1.926 4.536 441 204 A 102 ASN HD22 A 100 ALA H 1.0 1.926 4.536 442 205 A 102 ASN HBy A 102 ASN H 1.0 1.920 4.486 443 205 A 102 ASN HD22 A 102 ASN HBy 1.0 1.920 4.486 444 206 A 19 LYS HG3 A 17 GLN HE22 1.0 1.826 3.818 445 206 A 19 LYS HG2 A 17 GLN HE22 1.0 1.826 3.818 446 207 A 91 ASN HBx A 91 ASN HD22 1.0 1.677 3.105 447 207 A 17 GLN HE22 A 51 ASP HBy 1.0 1.677 3.105 448 208 A 91 ASN HD22 A 91 ASN HD21 1.0 1.425 2.287 449 208 A 17 GLN HE22 A 17 GLN HE21 1.0 1.425 2.287 450 209 A 51 ASP HBy A 17 GLN HE21 1.0 1.788 3.608 451 209 A 91 ASN HBx A 91 ASN HD21 1.0 1.788 3.608 452 210 A 19 LYS HG3 A 17 GLN HE21 1.0 1.899 4.305 453 210 A 19 LYS HG2 A 17 GLN HE21 1.0 1.899 4.305 454 211 A 34 LYS HB2 A 34 LYS H 1.0 1.770 3.516 455 211 A 34 LYS HB3 A 34 LYS H 1.0 1.770 3.516 456 212 A 69 VAL H A 69 VAL HB 1.0 1.864 4.050 457 212 A 69 VAL H A 64 ALA HB% 1.0 1.864 4.050 458 213 A 91 ASN HBx A 91 ASN HD22 1.0 1.913 4.421 459 213 A 91 ASN HBy A 91 ASN HD22 1.0 1.913 4.421 460 214 A 66 LYS HG2 A 67 ASN HD21 1.0 1.970 5.046 461 214 A 64 ALA HB% A 67 ASN HD21 1.0 1.970 5.046 462 215 A 5 PHE HE2 A 5 PHE HZ 1.0 1.623 2.903 463 215 A 5 PHE HE1 A 5 PHE HZ 1.0 1.623 2.903 464 216 A 5 PHE HE1 A 5 PHE HD2 1.0 1.593 2.801 465 216 A 5 PHE HE2 A 5 PHE HD2 1.0 1.593 2.801 466 216 A 5 PHE HE2 A 5 PHE HD1 1.0 1.593 2.801 467 216 A 5 PHE HE1 A 5 PHE HD1 1.0 1.593 2.801 468 217 A 5 PHE HD2 A 5 PHE HBx 1.0 1.710 3.246 469 217 A 5 PHE HD1 A 5 PHE HBx 1.0 1.710 3.246 470 218 A 5 PHE HD2 A 5 PHE HBy 1.0 1.675 3.099 471 218 A 5 PHE HD1 A 5 PHE HBy 1.0 1.675 3.099 472 219 A 55 LEU HBx A 5 PHE HD2 1.0 1.671 3.081 473 219 A 55 LEU HBx A 5 PHE HD1 1.0 1.671 3.081 474 220 A 55 LEU HD1% A 5 PHE HD2 1.0 1.667 3.069 475 220 A 55 LEU HD1% A 5 PHE HD1 1.0 1.667 3.069 476 221 A 5 PHE HE2 A 53 TYR HBy 1.0 1.760 3.470 477 221 A 5 PHE HE1 A 53 TYR HBy 1.0 1.760 3.470 478 222 A 11 PHE HD1 A 11 PHE HB3 1.0 1.629 2.925 479 222 A 11 PHE HD2 A 11 PHE HB3 1.0 1.629 2.925 480 223 A 15 ILE HG1y A 11 PHE HD1 1.0 1.697 3.191 481 223 A 15 ILE HG1y A 11 PHE HD2 1.0 1.697 3.191 482 224 A 15 ILE HG1y A 11 PHE HE1 1.0 1.742 3.386 483 224 A 15 ILE HG1y A 11 PHE HE2 1.0 1.742 3.386 484 225 A 26 TYR HD1 A 26 TYR H 1.0 1.705 3.225 485 225 A 26 TYR HD2 A 26 TYR H 1.0 1.705 3.225 486 226 A 24 ALA HB% A 26 TYR HE1 1.0 1.584 2.768 487 226 A 26 TYR HE2 A 24 ALA HB% 1.0 1.584 2.768 488 227 A 26 TYR HD1 A 26 TYR HE2 1.0 1.512 2.536 489 227 A 26 TYR HD1 A 26 TYR HE1 1.0 1.512 2.536 490 227 A 26 TYR HD2 A 26 TYR HE1 1.0 1.512 2.536 491 227 A 26 TYR HD2 A 26 TYR HE2 1.0 1.512 2.536 492 228 A 29 TRP HD1 A 29 TRP H 1.0 1.667 3.067 493 229 A 29 TRP HD1 A 58 ASP HA 1.0 1.769 3.513 494 230 A 29 TRP HD1 A 29 TRP HBy 1.0 1.728 3.324 495 231 A 29 TRP HZ3 A 29 TRP HH2 1.0 1.626 2.916 496 232 A 29 TRP HZ2 A 29 TRP HH2 1.0 1.581 2.755 497 233 A 29 TRP HZ3 A 29 TRP HE3 1.0 1.659 3.037 498 234 A 43 PHE HBx A 43 PHE HD2 1.0 1.812 3.734 499 234 A 43 PHE HD1 A 43 PHE HBx 1.0 1.812 3.734 500 235 A 75 LEU HD2% A 43 PHE HD1 1.0 1.823 3.795 501 235 A 75 LEU HD2% A 43 PHE HD2 1.0 1.823 3.795 502 236 A 47 TYR HD2 A 47 TYR HA 1.0 1.796 3.648 503 236 A 47 TYR HD1 A 47 TYR HA 1.0 1.796 3.648 504 237 A 47 TYR HD1 A 50 ALA HB% 1.0 1.764 3.484 505 237 A 47 TYR HD2 A 50 ALA HB% 1.0 1.764 3.484 506 238 A 47 TYR HD2 A 47 TYR HE1 1.0 1.482 2.446 507 238 A 47 TYR HD1 A 47 TYR HE2 1.0 1.482 2.446 508 238 A 47 TYR HD1 A 47 TYR HE1 1.0 1.482 2.446 509 238 A 47 TYR HD2 A 47 TYR HE2 1.0 1.482 2.446 510 239 A 47 TYR HE2 A 96 LYS HB2 1.0 1.801 3.677 511 239 A 47 TYR HE1 A 96 LYS HB2 1.0 1.801 3.677 512 240 A 47 TYR HE1 A 50 ALA HB% 1.0 1.711 3.251 513 240 A 47 TYR HE2 A 50 ALA HB% 1.0 1.711 3.251 514 241 A 53 TYR HBy A 53 TYR HD1 1.0 1.602 2.832 515 241 A 53 TYR HBy A 53 TYR HD2 1.0 1.602 2.832 516 242 A 14 ALA HB% A 53 TYR HD2 1.0 1.648 2.994 517 242 A 14 ALA HB% A 53 TYR HD1 1.0 1.648 2.994 518 243 A 21 VAL HG1% A 53 TYR HD2 1.0 1.683 3.131 519 243 A 21 VAL HG1% A 53 TYR HD1 1.0 1.683 3.131 520 244 A 51 ASP HBy A 53 TYR HE1 1.0 1.637 2.953 521 244 A 51 ASP HBy A 53 TYR HE2 1.0 1.637 2.953 522 245 A 21 VAL HG1% A 53 TYR HE1 1.0 1.663 3.055 523 245 A 21 VAL HG1% A 53 TYR HE2 1.0 1.663 3.055 524 246 A 14 ALA HB% A 53 TYR HE1 1.0 1.595 2.805 525 246 A 14 ALA HB% A 53 TYR HE2 1.0 1.595 2.805 526 247 A 54 LYS HB2 A 26 TYR HE1 1.0 1.738 3.366 527 247 A 54 LYS HB2 A 26 TYR HE2 1.0 1.738 3.366 528 248 A 8 ALA HA A 8 ALA HB% 1.0 1.342 2.068 529 249 A 14 ALA HB% A 14 ALA HA 1.0 1.452 2.360 530 250 A 14 ALA HA A 14 ALA H 1.0 1.563 2.699 531 251 A 16 ALA HA A 16 ALA HB% 1.0 1.441 2.329 532 252 A 16 ALA HA A 16 ALA H 1.0 1.655 3.023 533 253 A 16 ALA HA A 17 GLN H 1.0 1.681 3.121 534 254 A 81 GLY H A 16 ALA HA 1.0 1.646 2.988 535 255 A 24 ALA HA A 24 ALA HB% 1.0 1.564 2.700 536 256 A 24 ALA HA A 25 PHE H 1.0 1.511 2.533 537 257 A 24 ALA HA A 24 ALA H 1.0 1.785 3.593 538 258 A 24 ALA HB% A 24 ALA H 1.0 1.660 3.042 539 259 A 27 ALA HB% A 27 ALA HA 1.0 1.602 2.830 540 260 A 27 ALA HA A 57 VAL HG1% 1.0 1.744 3.394 541 261 A 27 ALA HA A 28 THR H 1.0 1.623 2.903 542 262 A 27 ALA HB% A 27 ALA H 1.0 1.758 3.458 543 263 A 27 ALA HB% A 30 CYS HBx 1.0 1.747 3.407 544 264 A 27 ALA HB% A 30 CYS HBy 1.0 1.776 3.546 545 265 A 27 ALA HB% A 57 VAL HG1% 1.0 1.650 3.002 546 266 A 37 ALA HB% A 37 ALA HA 1.0 1.503 2.509 547 267 A 37 ALA HB% A 37 ALA H 1.0 1.616 2.878 548 268 A 50 ALA HB% A 50 ALA HA 1.0 1.455 2.367 549 269 A 64 ALA HB% A 64 ALA HA 1.0 1.470 2.412 550 270 A 69 VAL HGx% A 64 ALA HA 1.0 1.685 3.141 551 271 A 64 ALA HA A 64 ALA H 1.0 1.619 2.887 552 272 A 90 ALA HA A 90 ALA HB% 1.0 1.516 2.548 553 273 A 75 LEU HD1% A 90 ALA HA 1.0 1.636 2.952 554 274 A 93 ALA HA A 93 ALA HB% 1.0 1.404 2.228 555 275 A 93 ALA HA A 96 LYS HB3 1.0 1.586 2.776 556 276 A 94 ALA HB% A 91 ASN HBy 1.0 1.653 3.015 557 277 A 94 ALA HB% A 91 ASN HBx 1.0 1.736 3.356 558 278 A 94 ALA HA A 94 ALA H 1.0 1.624 2.908 559 279 A 101 ALA HA A 101 ALA H 1.0 1.610 2.858 560 280 A 98 ALA HB% A 98 ALA HA 1.0 1.319 2.013 561 281 A 98 ALA HB% A 99 ILE H 1.0 1.649 2.999 562 282 A 98 ALA HB% A 98 ALA H 1.0 1.510 2.530 563 283 A 8 ALA HA A 63 VAL HGx% 1.0 1.523 2.571 564 284 A 101 ALA HB% A 102 ASN H 1.0 1.620 2.892 565 285 A 89 GLY HAy A 89 GLY HAx 1.0 1.512 2.536 566 286 A 5 PHE HBx A 5 PHE HA 1.0 1.716 3.270 567 287 A 5 PHE HBy A 5 PHE HA 1.0 1.833 3.853 568 288 A 5 PHE HBx A 5 PHE HBy 1.0 1.529 2.587 569 289 A 55 LEU HD1% A 5 PHE HBy 1.0 1.806 3.706 570 290 A 55 LEU HD1% A 5 PHE HBx 1.0 1.757 3.455 571 291 A 11 PHE HA A 11 PHE H 1.0 1.587 2.775 572 292 A 12 ASP H A 11 PHE HA 1.0 1.753 3.435 573 293 A 5 PHE HZ A 11 PHE HA 1.0 1.776 3.548 574 294 A 25 PHE HBx A 25 PHE HA 1.0 1.740 3.376 575 295 A 25 PHE HA A 25 PHE HBy 1.0 1.832 3.850 576 296 A 25 PHE HBx A 25 PHE HBy 1.0 1.588 2.782 577 297 A 43 PHE HD2 A 43 PHE HBy 1.0 1.805 3.701 578 297 A 43 PHE HD1 A 43 PHE HBy 1.0 1.805 3.701 579 298 A 43 PHE HBx A 43 PHE H 1.0 1.872 4.100 580 299 A 43 PHE HBy A 43 PHE H 1.0 1.845 3.925 581 300 A 52 PHE HBx A 52 PHE HA 1.0 1.719 3.283 582 301 A 52 PHE HA A 52 PHE HBy 1.0 1.804 3.694 583 302 A 78 PHE HB2 A 79 LYS H 1.0 1.844 3.920 584 303 A 44 SER HBy A 44 SER HBx 1.0 1.636 2.952 585 304 A 44 SER HBx A 48 PRO HA 1.0 1.916 4.450 586 305 A 47 TYR HD2 A 44 SER HBy 1.0 1.901 4.317 587 305 A 47 TYR HD1 A 44 SER HBy 1.0 1.901 4.317 588 306 A 44 SER H A 44 SER HBx 1.0 1.857 4.005 589 307 A 70 SER HA A 70 SER HB3 1.0 1.695 3.181 590 308 A 28 THR HA A 28 THR HG2% 1.0 1.593 2.801 591 309 A 28 THR HA A 28 THR H 1.0 1.738 3.364 592 310 A 26 TYR HB2 A 26 TYR HA 1.0 1.602 2.828 593 311 A 26 TYR HB2 A 26 TYR H 1.0 1.921 4.489 594 312 A 11 PHE HB2 A 8 ALA HA 1.0 1.861 4.029 595 313 A 12 ASP HA A 11 PHE HD1 1.0 1.696 3.184 596 313 A 12 ASP HA A 11 PHE HD2 1.0 1.696 3.184 597 314 A 12 ASP HA A 12 ASP H 1.0 1.611 2.859 598 315 A 12 ASP HBy A 9 SER HA 1.0 1.841 3.899 599 316 A 12 ASP HA A 12 ASP HBy 1.0 1.732 3.336 600 317 A 62 ASP HA A 62 ASP HBx 1.0 1.640 2.966 601 318 A 62 ASP HBx A 62 ASP H 1.0 1.880 4.160 602 319 A 51 ASP HBx A 51 ASP HA 1.0 1.777 3.551 603 320 A 51 ASP HBy A 51 ASP HA 1.0 1.759 3.461 604 321 A 56 ASP HA A 56 ASP HBx 1.0 1.759 3.465 605 322 A 56 ASP HBy A 56 ASP HA 1.0 1.773 3.533 606 323 A 56 ASP HBx A 60 LEU H 1.0 1.941 4.689 607 324 A 56 ASP HBy A 56 ASP H 1.0 1.674 3.096 608 325 A 56 ASP HBy A 56 ASP HBx 1.0 1.558 2.680 609 326 A 62 ASP HA A 62 ASP HBy 1.0 1.539 2.623 610 327 A 62 ASP HA A 63 VAL H 1.0 1.737 3.361 611 328 A 62 ASP HA A 65 GLN H 1.0 1.734 3.348 612 329 A 62 ASP HA A 62 ASP H 1.0 1.791 3.625 613 330 A 91 ASN H A 91 ASN HBx 1.0 1.778 3.558 614 331 A 18 ASP HA A 80 ASN HBy 1.0 1.514 2.544 615 332 A 29 TRP HA A 29 TRP HBx 1.0 1.540 2.622 616 333 A 30 CYS HBx A 30 CYS HBy 1.0 1.637 2.953 617 334 A 67 ASN HBx A 67 ASN HA 1.0 1.705 3.221 618 335 A 67 ASN H A 67 ASN HBx 1.0 1.766 3.496 619 336 A 58 ASP HB3 A 59 GLU H 1.0 1.752 3.430 620 337 A 76 LEU HD1% A 67 ASN HBx 1.0 1.900 4.314 621 338 A 80 ASN HBy A 80 ASN HA 1.0 1.571 2.725 622 339 A 80 ASN HBx A 80 ASN HA 1.0 1.628 2.924 623 340 A 91 ASN HBy A 91 ASN HA 1.0 1.640 2.968 624 341 A 91 ASN HBx A 91 ASN HA 1.0 1.782 3.580 625 342 A 75 LEU HD1% A 91 ASN HBx 1.0 1.930 4.570 626 343 A 102 ASN HA A 102 ASN HBy 1.0 1.634 2.944 627 344 A 102 ASN HBx A 102 ASN HBy 1.0 1.550 2.656 628 345 A 84 VAL HGy% A 102 ASN HBy 1.0 1.739 3.371 629 346 A 102 ASN HBy A 102 ASN HD21 1.0 1.832 3.846 630 347 A 102 ASN HA A 84 VAL HGx% 1.0 1.805 3.695 631 348 A 102 ASN HBx A 102 ASN HA 1.0 1.707 3.229 632 349 A 5 PHE H A 4 GLN HA 1.0 1.534 2.604 633 350 A 45 GLU HB2 A 45 GLU H 1.0 1.754 3.442 634 351 A 4 GLN HBx A 4 GLN H 1.0 1.833 3.855 635 352 A 4 GLN H A 4 GLN HBy 1.0 1.834 3.858 636 353 A 4 GLN HA A 4 GLN HBx 1.0 1.863 4.043 637 354 A 17 GLN HBx A 17 GLN HA 1.0 1.667 3.069 638 355 A 18 ASP H A 17 GLN HA 1.0 1.588 2.784 639 356 A 17 GLN HBy A 17 GLN HA 1.0 1.808 3.714 640 357 A 46 GLN HGx A 46 GLN H 1.0 1.760 3.470 641 358 A 26 TYR HB3 A 73 PRO HB3 1.0 1.518 2.552 642 359 A 46 GLN HB3 A 46 GLN H 1.0 1.667 3.067 643 360 A 73 PRO HB3 A 33 CYS HA 1.0 1.749 3.419 644 361 A 46 GLN HGy A 46 GLN HGx 1.0 1.421 2.273 645 362 A 49 GLN HA A 50 ALA H 1.0 1.744 3.394 646 363 A 49 GLN HA A 49 GLN H 1.0 1.653 3.015 647 364 A 49 GLN HA A 49 GLN HBy 1.0 1.714 3.262 648 365 A 49 GLN HA A 49 GLN HBx 1.0 1.731 3.331 649 366 A 84 VAL HB A 84 VAL HA 1.0 1.514 2.542 650 367 A 66 LYS HA A 66 LYS H 1.0 1.552 2.664 651 368 A 65 GLN HA A 65 GLN H 1.0 1.676 3.104 652 369 A 10 GLU HA A 10 GLU HGx 1.0 1.455 2.369 653 370 A 97 GLN HB3 A 97 GLN H 1.0 1.701 3.205 654 371 A 10 GLU HB3 A 5 PHE HD2 1.0 1.841 3.905 655 371 A 10 GLU HB3 A 5 PHE HD1 1.0 1.841 3.905 656 372 A 10 GLU HA A 10 GLU HGy 1.0 1.823 3.797 657 373 A 10 GLU H A 10 GLU HGy 1.0 1.781 3.573 658 374 A 10 GLU HGy A 10 GLU HGx 1.0 1.384 2.176 659 375 A 10 GLU H A 10 GLU HGx 1.0 1.787 3.599 660 376 A 41 GLU HB3 A 41 GLU HA 1.0 1.519 2.555 661 377 A 41 GLU HG3 A 1 MET HA 1.0 1.693 3.171 662 378 A 40 ILE H A 40 ILE HB 1.0 1.664 3.054 663 379 A 45 GLU HA A 45 GLU H 1.0 1.661 3.047 664 380 A 47 TYR HD2 A 46 GLN HB3 1.0 1.822 3.792 665 380 A 47 TYR HD1 A 46 GLN HB3 1.0 1.822 3.792 666 381 A 45 GLU HA A 45 GLU HG2 1.0 1.679 3.115 667 382 A 59 GLU H A 59 GLU HA 1.0 1.640 2.968 668 383 A 59 GLU HB2 A 59 GLU HA 1.0 1.765 3.491 669 384 A 73 PRO HG3 A 35 MET H 1.0 1.787 3.601 670 385 A 59 GLU HB3 A 59 GLU H 1.0 1.676 3.104 671 386 A 68 GLU HBy A 68 GLU HA 1.0 1.464 2.394 672 387 A 68 GLU H A 68 GLU HA 1.0 1.439 2.323 673 388 A 68 GLU H A 68 GLU HBx 1.0 1.895 4.269 674 389 A 83 GLU HGy A 83 GLU HA 1.0 1.541 2.625 675 390 A 83 GLU HA A 84 VAL H 1.0 1.506 2.518 676 391 A 83 GLU H A 83 GLU HA 1.0 1.703 3.215 677 392 A 83 GLU HA A 83 GLU HBx 1.0 1.780 3.566 678 393 A 83 GLU H A 83 GLU HBx 1.0 1.763 3.487 679 394 A 83 GLU H A 83 GLU HBy 1.0 1.786 3.600 680 395 A 83 GLU HGx A 84 VAL H 1.0 1.898 4.296 681 396 A 83 GLU HGy A 84 VAL H 1.0 1.895 4.275 682 397 A 20 LEU HBy A 20 LEU HA 1.0 1.863 4.045 683 398 A 20 LEU HBx A 20 LEU HA 1.0 1.822 3.788 684 399 A 20 LEU HBx A 20 LEU HBy 1.0 1.552 2.664 685 400 A 20 LEU HBy A 20 LEU HD1% 1.0 1.884 4.186 686 401 A 20 LEU HBx A 20 LEU HD2% 1.0 1.716 3.268 687 402 A 99 ILE HG2% A 20 LEU HBy 1.0 1.760 3.468 688 403 A 55 LEU HD2% A 60 LEU HBy 1.0 1.622 2.900 689 404 A 102 ASN HBx A 20 LEU HD2% 1.0 1.623 2.903 690 405 A 20 LEU HD2% A 102 ASN HBy 1.0 1.631 2.931 691 406 A 20 LEU HD2% A 20 LEU HA 1.0 1.491 2.475 692 407 A 20 LEU HD2% A 84 VAL HGy% 1.0 1.372 2.144 693 408 A 55 LEU HD2% A 57 VAL H 1.0 1.850 3.956 694 409 A 55 LEU HA A 55 LEU HD2% 1.0 1.913 4.417 695 410 A 55 LEU HA A 55 LEU HG 1.0 1.860 4.018 696 411 A 60 LEU HBx A 60 LEU H 1.0 1.890 4.236 697 412 A 75 LEU HG A 75 LEU H 1.0 1.810 3.722 698 413 A 75 LEU HA A 75 LEU HG 1.0 1.772 3.528 699 414 A 75 LEU HA A 75 LEU HD2% 1.0 1.846 3.940 700 415 A 75 LEU HD2% A 75 LEU H 1.0 1.891 4.241 701 416 A 76 LEU HA A 76 LEU H 1.0 1.752 3.428 702 417 A 76 LEU HA A 77 LEU H 1.0 1.503 2.511 703 418 A 76 LEU HBx A 76 LEU HA 1.0 1.760 3.472 704 419 A 76 LEU HBy A 77 LEU H 1.0 1.891 4.243 705 420 A 76 LEU HD1% A 76 LEU HBx 1.0 1.735 3.353 706 421 A 76 LEU HD1% A 11 PHE HE1 1.0 1.626 2.916 707 421 A 76 LEU HD1% A 11 PHE HE2 1.0 1.626 2.916 708 422 A 76 LEU HD1% A 76 LEU HA 1.0 1.864 4.054 709 423 A 76 LEU HBy A 76 LEU HD1% 1.0 1.632 2.938 710 424 A 76 LEU HD1% A 68 GLU HBx 1.0 1.655 3.025 711 425 A 77 LEU HBy A 85 ALA H 1.0 1.902 4.326 712 426 A 77 LEU HD2% A 102 ASN HD21 1.0 1.747 3.409 713 427 A 102 ASN HD22 A 77 LEU HD2% 1.0 1.805 3.693 714 428 A 77 LEU HA A 77 LEU HD2% 1.0 1.860 4.024 715 429 A 77 LEU HD2% A 99 ILE HA 1.0 1.618 2.884 716 430 A 77 LEU HD2% A 98 ALA HA 1.0 1.910 4.394 717 431 A 77 LEU HD2% A 102 ASN HBy 1.0 1.826 3.816 718 432 A 102 ASN HBx A 77 LEU HD2% 1.0 1.731 3.337 719 433 A 77 LEU HD2% A 77 LEU HG 1.0 1.546 2.644 720 434 A 77 LEU HD2% A 99 ILE HD1% 1.0 1.850 3.960 721 435 A 77 LEU HA A 77 LEU HG 1.0 1.740 3.378 722 436 A 77 LEU HG A 77 LEU H 1.0 1.896 4.280 723 437 A 77 LEU HD2% A 78 PHE H 1.0 1.994 5.540 724 438 A 77 LEU HD2% A 84 VAL H 1.0 1.976 5.136 725 439 A 77 LEU HD2% A 99 ILE H 1.0 1.859 4.021 726 440 A 43 PHE HD2 A 40 ILE HA 1.0 1.617 2.883 727 440 A 43 PHE HD1 A 40 ILE HA 1.0 1.617 2.883 728 441 A 15 ILE HB A 15 ILE HA 1.0 1.625 2.909 729 442 A 15 ILE HD1% A 21 VAL HG1% 1.0 1.645 2.985 730 443 A 15 ILE HD1% A 78 PHE HB3 1.0 1.752 3.428 731 444 A 15 ILE HD1% A 15 ILE H 1.0 1.595 2.807 732 445 A 15 ILE HB A 15 ILE H 1.0 1.851 3.965 733 446 A 36 ILE HA A 39 MET HE% 1.0 1.581 2.757 734 447 A 36 ILE HB A 36 ILE HA 1.0 1.608 2.852 735 448 A 36 ILE HB A 36 ILE HD1% 1.0 1.506 2.518 736 449 A 36 ILE HB A 36 ILE H 1.0 1.667 3.071 737 450 A 90 ALA HA A 36 ILE HD1% 1.0 1.635 2.949 738 451 A 36 ILE HD1% A 35 MET HB3 1.0 1.490 2.470 739 452 A 36 ILE HG12 A 36 ILE HD1% 1.0 1.656 3.028 740 453 A 40 ILE HB A 40 ILE HA 1.0 1.706 3.228 741 454 A 43 PHE HBx A 40 ILE HA 1.0 1.702 3.206 742 455 A 95 ILE HA A 95 ILE HG2% 1.0 1.456 2.374 743 456 A 95 ILE HB A 95 ILE HG2% 1.0 1.594 2.800 744 457 A 95 ILE HB A 96 LYS H 1.0 1.715 3.265 745 458 A 95 ILE HA A 95 ILE HB 1.0 1.834 3.862 746 459 A 99 ILE HA A 99 ILE HD1% 1.0 1.602 2.826 747 460 A 99 ILE HD1% A 99 ILE HG1x 1.0 1.450 2.356 748 461 A 77 LEU HG A 99 ILE HA 1.0 1.701 3.207 749 462 A 102 ASN HD22 A 99 ILE HA 1.0 1.855 3.991 750 463 A 99 ILE HA A 99 ILE H 1.0 1.709 3.239 751 464 A 99 ILE HB A 43 PHE HBy 1.0 1.757 3.455 752 465 A 99 ILE HB A 99 ILE HG1x 1.0 1.634 2.942 753 466 A 38 PRO HA A 41 GLU H 1.0 1.740 3.376 754 467 A 38 PRO HA A 39 MET H 1.0 1.836 3.876 755 468 A 41 GLU HB2 A 38 PRO HA 1.0 1.466 2.400 756 469 A 37 ALA HB% A 38 PRO HA 1.0 1.836 3.870 757 470 A 48 PRO HA A 48 PRO HBx 1.0 1.722 3.292 758 471 A 2 VAL H A 1 MET HA 1.0 1.650 3.002 759 472 A 1 MET HA A 2 VAL HGy% 1.0 1.763 3.481 760 473 A 2 VAL HA A 2 VAL HB 1.0 1.767 3.499 761 474 A 52 PHE HBx A 2 VAL HA 1.0 1.659 3.039 762 475 A 2 VAL HGy% A 2 VAL HA 1.0 1.628 2.924 763 476 A 88 VAL HB A 88 VAL HG2% 1.0 1.436 2.316 764 477 A 85 ALA H A 84 VAL HA 1.0 1.752 3.434 765 478 A 63 VAL HA A 63 VAL HB 1.0 1.805 3.697 766 479 A 69 VAL HGx% A 25 PHE HBy 1.0 1.603 2.833 767 480 A 69 VAL HGx% A 67 ASN HBx 1.0 1.733 3.345 768 481 A 69 VAL H A 69 VAL HA 1.0 1.723 3.303 769 482 A 69 VAL HGy% A 69 VAL HA 1.0 1.646 2.986 770 483 A 69 VAL HB A 74 THR HB 1.0 1.753 3.437 771 484 A 69 VAL HB A 69 VAL HGx% 1.0 1.652 3.012 772 485 A 69 VAL HB A 69 VAL HGy% 1.0 1.649 2.999 773 486 A 2 VAL HGx% A 3 THR H 1.0 1.642 2.974 774 487 A 2 VAL HGx% A 2 VAL H 1.0 1.793 3.635 775 488 A 69 VAL HGy% A 74 THR HB 1.0 1.580 2.754 776 489 A 2 VAL HGx% A 2 VAL HB 1.0 1.484 2.454 777 490 A 84 VAL HGy% A 84 VAL HB 1.0 1.523 2.571 778 491 A 84 VAL HB A 84 VAL HGx% 1.0 1.491 2.475 779 492 A 84 VAL HB A 84 VAL H 1.0 1.873 4.115 780 493 A 84 VAL HGx% A 79 LYS H 1.0 1.613 2.869 781 494 A 88 VAL HA A 88 VAL HB 1.0 1.745 3.395 782 495 A 21 VAL HB A 21 VAL H 1.0 1.739 3.369 783 496 A 22 VAL HB A 22 VAL HG2% 1.0 1.444 2.336 784 497 A 23 VAL HB A 11 PHE HE1 1.0 1.713 3.255 785 497 A 23 VAL HB A 11 PHE HE2 1.0 1.713 3.255 786 498 A 23 VAL HB A 23 VAL HA 1.0 1.866 4.064 787 499 A 23 VAL HG2% A 23 VAL HB 1.0 1.536 2.608 788 500 A 21 VAL HG1% A 21 VAL HA 1.0 1.524 2.574 789 501 A 22 VAL HB A 22 VAL H 1.0 1.657 3.029 790 502 A 50 ALA HB% A 22 VAL HG2% 1.0 1.513 2.537 791 503 A 77 LEU HG A 22 VAL HG2% 1.0 1.630 2.926 792 504 A 21 VAL HB A 21 VAL HA 1.0 1.826 3.818 793 505 A 57 VAL H A 57 VAL HA 1.0 1.750 3.418 794 506 A 57 VAL HA A 57 VAL HG1% 1.0 1.578 2.746 795 507 A 39 MET HA A 39 MET H 1.0 1.642 2.974 796 508 A 39 MET HB3 A 36 ILE HD1% 1.0 1.855 3.991 797 509 A 39 MET HB3 A 39 MET HE% 1.0 1.707 3.231 798 510 A 40 ILE HB A 39 MET HE% 1.0 1.530 2.592 799 511 A 39 MET HE% A 40 ILE HD1% 1.0 1.455 2.369 800 512 A 35 MET HA A 35 MET H 1.0 1.730 3.332 801 513 A 1 MET HA A 1 MET HE% 1.0 1.784 3.588 802 514 A 72 MET H A 72 MET HA 1.0 1.797 3.657 803 515 A 39 MET HE% A 90 ALA H 1.0 1.860 4.020 804 516 A 39 MET HE% A 39 MET H 1.0 1.690 3.160 805 517 A 69 VAL HGx% A 67 ASN HD21 1.0 1.675 3.101 806 518 A 69 VAL HGx% A 67 ASN HD22 1.0 1.734 3.348 807 519 A 99 ILE HD1% A 99 ILE H 1.0 1.821 3.785 808 520 A 99 ILE HD1% A 98 ALA H 1.0 1.847 3.939 809 521 A 47 TYR HE2 A 99 ILE HD1% 1.0 1.843 3.913 810 521 A 47 TYR HE1 A 99 ILE HD1% 1.0 1.843 3.913 811 522 A 2 VAL HGx% A 2 VAL HA 1.0 1.556 2.676 812 523 A 52 PHE HBy A 2 VAL HA 1.0 1.781 3.575 813 524 A 53 TYR HA A 2 VAL HA 1.0 1.899 4.305 814 525 A 2 VAL HA A 3 THR H 1.0 1.522 2.568 815 526 A 69 VAL HGy% A 25 PHE HBy 1.0 1.755 3.445 816 527 A 2 VAL HGx% A 24 ALA HB% 1.0 1.591 2.793 817 528 A 88 VAL HG2% A 87 VAL HA 1.0 1.783 3.581 818 529 A 2 VAL HGy% A 3 THR H 1.0 1.824 3.802 819 530 A 8 ALA H A 63 VAL HGx% 1.0 1.776 3.548 820 531 A 3 THR HA A 3 THR HG2% 1.0 1.573 2.729 821 532 A 4 GLN HBy A 3 THR HA 1.0 1.872 4.106 822 533 A 3 THR HA A 3 THR H 1.0 1.752 3.430 823 534 A 4 GLN H A 3 THR HA 1.0 1.509 2.527 824 535 A 3 THR HB A 3 THR H 1.0 1.661 3.045 825 536 A 53 TYR HE1 A 3 THR HB 1.0 1.772 3.526 826 536 A 53 TYR HE2 A 3 THR HB 1.0 1.772 3.526 827 537 A 53 TYR HD1 A 3 THR HB 1.0 1.690 3.162 828 537 A 53 TYR HD2 A 3 THR HB 1.0 1.690 3.162 829 538 A 53 TYR HA A 3 THR HB 1.0 1.860 4.018 830 539 A 3 THR HG2% A 3 THR HB 1.0 1.555 2.669 831 540 A 4 GLN HA A 4 GLN HBy 1.0 1.703 3.213 832 541 A 6 LYS H A 5 PHE HA 1.0 1.545 2.637 833 542 A 5 PHE HA A 5 PHE H 1.0 1.807 3.707 834 543 A 5 PHE HD2 A 5 PHE HA 1.0 1.580 2.756 835 543 A 5 PHE HD1 A 5 PHE HA 1.0 1.580 2.756 836 544 A 53 TYR HA A 3 THR HA 1.0 1.942 4.692 837 545 A 69 VAL HGx% A 69 VAL HGy% 1.0 1.496 2.488 838 546 A 2 VAL H A 2 VAL HB 1.0 1.858 4.012 839 547 A 52 PHE HBx A 2 VAL HGy% 1.0 1.714 3.264 840 548 A 5 PHE HA A 10 GLU HGx 1.0 1.875 4.123 841 549 A 7 THR H A 7 THR HA 1.0 1.786 3.594 842 550 A 7 THR HB A 8 ALA H 1.0 1.613 2.869 843 551 A 7 THR HB A 9 SER H 1.0 1.880 4.162 844 552 A 7 THR HB A 7 THR HG2% 1.0 1.495 2.485 845 553 A 8 ALA HA A 11 PHE H 1.0 1.703 3.213 846 554 A 8 ALA H A 8 ALA HA 1.0 1.690 3.160 847 555 A 8 ALA HB% A 11 PHE H 1.0 1.876 4.132 848 556 A 5 PHE HD2 A 11 PHE HA 1.0 1.887 4.207 849 556 A 5 PHE HD1 A 11 PHE HA 1.0 1.887 4.207 850 557 A 15 ILE HD1% A 12 ASP HA 1.0 1.904 4.344 851 558 A 15 ILE HG1y A 12 ASP HA 1.0 1.586 2.772 852 559 A 25 PHE HBx A 69 VAL HGy% 1.0 1.813 3.741 853 560 A 13 SER HA A 16 ALA HB% 1.0 1.644 2.980 854 561 A 13 SER HA A 16 ALA H 1.0 1.853 3.981 855 562 A 13 SER HA A 13 SER H 1.0 1.593 2.801 856 563 A 13 SER HB2 A 13 SER H 1.0 1.564 2.700 857 564 A 14 ALA HB% A 14 ALA H 1.0 1.517 2.549 858 565 A 14 ALA HB% A 15 ILE H 1.0 1.653 3.015 859 566 A 5 PHE HE2 A 14 ALA HB% 1.0 1.547 2.647 860 566 A 5 PHE HE1 A 14 ALA HB% 1.0 1.547 2.647 861 567 A 14 ALA HB% A 5 PHE HZ 1.0 1.570 2.722 862 568 A 14 ALA HB% A 11 PHE HA 1.0 1.692 3.168 863 569 A 14 ALA HB% A 53 TYR HBy 1.0 1.797 3.653 864 570 A 15 ILE HD1% A 14 ALA HB% 1.0 1.774 3.534 865 571 A 15 ILE HD1% A 15 ILE HA 1.0 1.532 2.598 866 572 A 15 ILE HA A 15 ILE HG2% 1.0 1.848 3.942 867 573 A 15 ILE HA A 21 VAL HG2% 1.0 1.611 2.861 868 574 A 15 ILE HD1% A 15 ILE HG2% 1.0 1.551 2.659 869 575 A 15 ILE HG1x A 15 ILE HG2% 1.0 1.476 2.428 870 576 A 15 ILE HB A 15 ILE HG2% 1.0 1.578 2.748 871 577 A 15 ILE HG2% A 16 ALA HB% 1.0 1.856 3.992 872 578 A 78 PHE HB2 A 15 ILE HG2% 1.0 1.870 4.092 873 579 A 15 ILE HG2% A 81 GLY HAx 1.0 1.796 3.654 874 580 A 15 ILE HG2% A 81 GLY HAy 1.0 1.837 3.881 875 581 A 12 ASP HA A 15 ILE HG2% 1.0 1.768 3.508 876 582 A 16 ALA HA A 81 GLY HAx 1.0 1.702 3.212 877 583 A 16 ALA HA A 80 ASN HA 1.0 1.744 3.396 878 584 A 81 GLY HAx A 16 ALA HB% 1.0 1.852 3.974 879 585 A 17 GLN H A 17 GLN HA 1.0 1.681 3.123 880 586 A 20 LEU HBx A 20 LEU H 1.0 1.808 3.718 881 587 A 20 LEU HBy A 20 LEU H 1.0 1.777 3.549 882 588 A 20 LEU HD2% A 77 LEU HA 1.0 1.859 4.019 883 589 A 20 LEU HD2% A 21 VAL H 1.0 1.645 2.985 884 590 A 20 LEU HD2% A 78 PHE H 1.0 1.802 3.680 885 591 A 23 VAL HB A 76 LEU H 1.0 1.886 4.200 886 592 A 23 VAL HG2% A 15 ILE HD1% 1.0 1.694 3.176 887 593 A 23 VAL HG2% A 53 TYR HD2 1.0 1.812 3.736 888 593 A 23 VAL HG2% A 53 TYR HD1 1.0 1.812 3.736 889 594 A 23 VAL HG2% A 11 PHE HE2 1.0 1.674 3.094 890 594 A 23 VAL HG2% A 11 PHE HE1 1.0 1.674 3.094 891 595 A 23 VAL HG2% A 24 ALA H 1.0 1.820 3.778 892 596 A 23 VAL HG2% A 23 VAL H 1.0 1.684 3.136 893 597 A 24 ALA HA A 75 LEU HG 1.0 1.752 3.430 894 598 A 24 ALA HB% A 25 PHE H 1.0 1.785 3.589 895 599 A 25 PHE HA A 25 PHE H 1.0 1.830 3.836 896 600 A 25 PHE HA A 26 TYR H 1.0 1.555 2.669 897 601 A 55 LEU HBy A 25 PHE HA 1.0 1.790 3.618 898 602 A 74 THR HG2% A 25 PHE HBy 1.0 1.853 3.981 899 603 A 26 TYR HA A 26 TYR H 1.0 1.812 3.740 900 604 A 26 TYR HA A 27 ALA H 1.0 1.632 2.936 901 605 A 78 PHE HD1 A 77 LEU HA 1.0 1.855 3.993 902 605 A 78 PHE HD2 A 77 LEU HA 1.0 1.855 3.993 903 606 A 57 VAL H A 27 ALA HA 1.0 1.863 4.039 904 607 A 27 ALA HA A 27 ALA H 1.0 1.839 3.891 905 608 A 26 TYR HD1 A 28 THR HA 1.0 1.897 4.283 906 608 A 26 TYR HD2 A 28 THR HA 1.0 1.897 4.283 907 609 A 28 THR H A 28 THR HB 1.0 1.802 3.682 908 610 A 29 TRP H A 28 THR HB 1.0 1.864 4.046 909 611 A 28 THR HA A 28 THR HB 1.0 1.545 2.639 910 612 A 28 THR HG2% A 28 THR HB 1.0 1.482 2.446 911 613 A 28 THR H A 28 THR HG2% 1.0 1.717 3.273 912 614 A 26 TYR HE1 A 28 THR HG2% 1.0 1.743 3.391 913 614 A 26 TYR HE2 A 28 THR HG2% 1.0 1.743 3.391 914 615 A 28 THR HG2% A 56 ASP HBx 1.0 1.855 3.991 915 616 A 29 TRP HBy A 29 TRP HBx 1.0 1.556 2.674 916 617 A 29 TRP HA A 29 TRP HBy 1.0 1.726 3.312 917 618 A 29 TRP HD1 A 29 TRP HBx 1.0 1.834 3.866 918 619 A 30 CYS HA A 30 CYS HBy 1.0 1.694 3.176 919 620 A 30 CYS HA A 30 CYS HBx 1.0 1.746 3.402 920 621 A 30 CYS H A 30 CYS HA 1.0 1.801 3.677 921 622 A 30 CYS HA A 29 TRP HZ3 1.0 1.712 3.252 922 623 A 39 MET HB2 A 35 MET HE% 1.0 1.711 3.249 923 624 A 39 MET HB3 A 36 ILE HA 1.0 1.817 3.765 924 625 A 36 ILE HA A 39 MET H 1.0 1.846 3.934 925 626 A 36 ILE HA A 36 ILE H 1.0 1.713 3.259 926 627 A 37 ALA HA A 37 ALA H 1.0 1.657 3.029 927 628 A 39 MET HA A 42 LYS HB2 1.0 1.488 2.464 928 629 A 40 ILE H A 40 ILE HA 1.0 1.716 3.268 929 630 A 40 ILE HA A 43 PHE H 1.0 1.770 3.516 930 631 A 40 ILE HB A 40 ILE HD1% 1.0 1.506 2.516 931 632 A 41 GLU HA A 44 SER H 1.0 1.813 3.743 932 633 A 41 GLU HA A 41 GLU H 1.0 1.655 3.023 933 634 A 41 GLU HA A 2 VAL HGy% 1.0 1.526 2.578 934 635 A 46 GLN HA A 46 GLN H 1.0 1.598 2.816 935 636 A 6 LYS HB2 A 6 LYS H 1.0 1.801 3.675 936 637 A 47 TYR HA A 49 GLN H 1.0 1.845 3.931 937 638 A 47 TYR HA A 47 TYR H 1.0 1.737 3.365 938 639 A 48 PRO HA A 48 PRO HBy 1.0 1.693 3.171 939 640 A 44 SER HBy A 48 PRO HBy 1.0 1.882 4.172 940 641 A 44 SER HBy A 48 PRO HBx 1.0 1.915 4.435 941 642 A 49 GLN HA A 49 GLN HG2 1.0 1.648 2.998 942 643 A 49 GLN HBx A 49 GLN H 1.0 1.859 4.015 943 644 A 50 ALA HA A 20 LEU HBy 1.0 1.729 3.325 944 645 A 50 ALA HA A 51 ASP H 1.0 1.501 2.503 945 646 A 50 ALA HB% A 49 GLN HE22 1.0 1.626 2.914 946 647 A 99 ILE HG2% A 50 ALA HB% 1.0 1.592 2.794 947 648 A 52 PHE H A 51 ASP HA 1.0 1.477 2.431 948 649 A 51 ASP HA A 51 ASP H 1.0 1.703 3.213 949 650 A 50 ALA HB% A 51 ASP HA 1.0 1.863 4.045 950 651 A 14 ALA HB% A 51 ASP HBx 1.0 1.808 3.716 951 652 A 51 ASP HBx A 53 TYR HE1 1.0 1.799 3.667 952 652 A 51 ASP HBx A 53 TYR HE2 1.0 1.799 3.667 953 653 A 51 ASP HBx A 51 ASP H 1.0 1.822 3.792 954 654 A 21 VAL HG1% A 51 ASP HBy 1.0 1.857 4.005 955 655 A 51 ASP HBx A 51 ASP HBy 1.0 1.370 2.138 956 656 A 51 ASP HBy A 51 ASP H 1.0 1.753 3.435 957 657 A 52 PHE HA A 2 VAL HGy% 1.0 1.802 3.682 958 658 A 53 TYR HD1 A 52 PHE HA 1.0 1.895 4.279 959 658 A 53 TYR HD2 A 52 PHE HA 1.0 1.895 4.279 960 659 A 53 TYR H A 52 PHE HA 1.0 1.513 2.541 961 660 A 52 PHE HBx A 52 PHE H 1.0 1.911 4.399 962 661 A 52 PHE HBy A 2 VAL HGy% 1.0 1.826 3.812 963 662 A 52 PHE HBx A 52 PHE HBy 1.0 1.600 2.820 964 663 A 53 TYR HA A 3 THR H 1.0 1.658 3.034 965 664 A 53 TYR HA A 54 LYS H 1.0 1.573 2.731 966 665 A 53 TYR HA A 53 TYR HD1 1.0 1.786 3.596 967 665 A 53 TYR HA A 53 TYR HD2 1.0 1.786 3.596 968 666 A 2 VAL HGx% A 53 TYR HA 1.0 1.693 3.173 969 667 A 23 VAL HG2% A 53 TYR HBx 1.0 1.847 3.941 970 668 A 2 VAL HGx% A 53 TYR HBx 1.0 1.892 4.250 971 669 A 53 TYR HA A 53 TYR HBy 1.0 1.859 4.017 972 670 A 53 TYR HA A 53 TYR HBx 1.0 1.832 3.850 973 671 A 53 TYR HBx A 53 TYR HD1 1.0 1.782 3.576 974 671 A 53 TYR HBx A 53 TYR HD2 1.0 1.782 3.576 975 672 A 5 PHE HE2 A 53 TYR HBx 1.0 1.896 4.280 976 672 A 5 PHE HE1 A 53 TYR HBx 1.0 1.896 4.280 977 673 A 53 TYR HBy A 54 LYS H 1.0 1.875 4.129 978 674 A 53 TYR HBx A 53 TYR H 1.0 1.910 4.398 979 675 A 23 VAL HG2% A 53 TYR HBy 1.0 1.830 3.840 980 676 A 55 LEU HD2% A 63 VAL HB 1.0 1.809 3.717 981 677 A 55 LEU HG A 60 LEU H 1.0 1.913 4.417 982 678 A 55 LEU HD2% A 55 LEU HG 1.0 1.426 2.290 983 679 A 57 VAL H A 56 ASP HA 1.0 1.580 2.752 984 680 A 57 VAL HG1% A 56 ASP HA 1.0 1.828 3.824 985 681 A 57 VAL HA A 60 LEU H 1.0 1.796 3.650 986 682 A 57 VAL HA A 64 ALA H 1.0 1.864 4.050 987 683 A 55 LEU HD2% A 57 VAL HA 1.0 1.631 2.933 988 684 A 64 ALA HB% A 57 VAL HA 1.0 1.738 3.366 989 685 A 67 ASN HBy A 67 ASN HBx 1.0 1.486 2.460 990 686 A 59 GLU HB3 A 59 GLU HA 1.0 1.668 3.072 991 687 A 60 LEU HBx A 60 LEU HA 1.0 1.539 2.621 992 688 A 60 LEU HA A 60 LEU H 1.0 1.730 3.332 993 689 A 60 LEU HBx A 63 VAL HB 1.0 1.906 4.360 994 690 A 61 GLY HAy A 61 GLY HAx 1.0 1.602 2.830 995 691 A 64 ALA HB% A 61 GLY HAy 1.0 1.924 4.516 996 692 A 64 ALA HB% A 61 GLY HAx 1.0 1.892 4.250 997 693 A 62 ASP HA A 66 LYS H 1.0 1.873 4.109 998 694 A 18 ASP HBx A 18 ASP HBy 1.0 1.268 1.892 999 695 A 63 VAL HA A 63 VAL H 1.0 1.642 2.972 1000 696 A 63 VAL HA A 67 ASN HD22 1.0 1.922 4.504 1001 697 A 63 VAL HA A 66 LYS H 1.0 1.788 3.608 1002 698 A 63 VAL HB A 63 VAL HGx% 1.0 1.565 2.705 1003 699 A 64 ALA HA A 67 ASN HBy 1.0 1.890 4.228 1004 700 A 64 ALA HA A 65 GLN H 1.0 1.827 3.815 1005 701 A 64 ALA HB% A 64 ALA H 1.0 1.484 2.452 1006 702 A 64 ALA HB% A 69 VAL HGy% 1.0 1.701 3.207 1007 703 A 69 VAL HGx% A 64 ALA HB% 1.0 1.802 3.676 1008 704 A 65 GLN HA A 68 GLU H 1.0 1.680 3.118 1009 705 A 66 LYS HA A 66 LYS HB3 1.0 1.439 2.325 1010 706 A 82 LYS HBy A 82 LYS HA 1.0 1.683 3.133 1011 707 A 67 ASN HBy A 67 ASN HA 1.0 1.819 3.777 1012 708 A 67 ASN H A 68 GLU HA 1.0 1.876 4.134 1013 709 A 69 VAL HA A 70 SER H 1.0 1.700 3.204 1014 710 A 69 VAL HGx% A 67 ASN HBy 1.0 1.720 3.284 1015 711 A 69 VAL HGx% A 11 PHE HE2 1.0 1.770 3.520 1016 711 A 69 VAL HGx% A 11 PHE HE1 1.0 1.770 3.520 1017 712 A 69 VAL H A 69 VAL HGx% 1.0 1.623 2.905 1018 713 A 69 VAL HGy% A 70 SER HA 1.0 1.869 4.085 1019 714 A 70 SER HA A 70 SER H 1.0 1.838 3.882 1020 715 A 70 SER HA A 71 ALA H 1.0 1.902 4.328 1021 716 A 71 ALA HA A 71 ALA HB% 1.0 1.529 2.589 1022 717 A 85 ALA HB% A 85 ALA HA 1.0 1.473 2.421 1023 718 A 102 ASN HD22 A 85 ALA HB% 1.0 1.706 3.226 1024 719 A 85 ALA HB% A 85 ALA H 1.0 1.687 3.147 1025 720 A 73 PRO HA A 74 THR H 1.0 1.584 2.768 1026 721 A 74 THR HA A 75 LEU H 1.0 1.508 2.522 1027 722 A 74 THR HA A 74 THR HG2% 1.0 1.561 2.689 1028 723 A 74 THR HA A 89 GLY H 1.0 1.768 3.504 1029 724 A 74 THR HA A 88 VAL HA 1.0 1.601 2.825 1030 725 A 73 PRO HB2 A 36 ILE HD1% 1.0 1.593 2.797 1031 726 A 74 THR H A 74 THR HB 1.0 1.766 3.502 1032 727 A 74 THR HA A 74 THR HB 1.0 1.772 3.526 1033 728 A 25 PHE HBy A 74 THR HB 1.0 1.740 3.378 1034 729 A 74 THR HG2% A 74 THR HB 1.0 1.555 2.671 1035 730 A 69 VAL HGx% A 74 THR HB 1.0 1.828 3.826 1036 731 A 74 THR HB A 75 LEU H 1.0 1.904 4.338 1037 732 A 25 PHE HBx A 74 THR HB 1.0 1.801 3.673 1038 733 A 74 THR HG2% A 75 LEU H 1.0 1.673 3.093 1039 734 A 69 VAL HGx% A 74 THR HG2% 1.0 1.667 3.067 1040 735 A 74 THR H A 74 THR HG2% 1.0 1.895 4.267 1041 736 A 24 ALA HA A 75 LEU HD2% 1.0 1.819 3.773 1042 737 A 54 LYS HA A 24 ALA HB% 1.0 1.589 2.785 1043 738 A 54 LYS HA A 54 LYS HB2 1.0 1.648 2.994 1044 739 A 75 LEU HA A 24 ALA HA 1.0 1.590 2.788 1045 740 A 54 LYS HA A 54 LYS H 1.0 1.779 3.559 1046 741 A 54 LYS HA A 24 ALA H 1.0 1.622 2.902 1047 742 A 54 LYS HA A 55 LEU H 1.0 1.557 2.677 1048 743 A 75 LEU HA A 76 LEU H 1.0 1.512 2.538 1049 744 A 75 LEU HA A 75 LEU H 1.0 1.690 3.162 1050 745 A 75 LEU HD1% A 75 LEU HG 1.0 1.493 2.479 1051 746 A 76 LEU HD1% A 67 ASN HBy 1.0 1.627 2.917 1052 747 A 76 LEU HD1% A 69 VAL HGx% 1.0 1.629 2.927 1053 748 A 76 LEU HBy A 76 LEU HA 1.0 1.638 2.960 1054 749 A 76 LEU HBx A 11 PHE HE1 1.0 1.796 3.648 1055 749 A 76 LEU HBx A 11 PHE HE2 1.0 1.796 3.648 1056 750 A 23 VAL HB A 76 LEU HBx 1.0 1.885 4.199 1057 751 A 76 LEU HBy A 76 LEU HBx 1.0 1.544 2.636 1058 752 A 77 LEU HA A 78 PHE H 1.0 1.527 2.583 1059 753 A 77 LEU HA A 77 LEU H 1.0 1.788 3.604 1060 754 A 77 LEU HA A 77 LEU HD1% 1.0 1.680 3.118 1061 755 A 78 PHE HA A 78 PHE H 1.0 1.791 3.625 1062 756 A 78 PHE HA A 84 VAL H 1.0 1.645 2.983 1063 757 A 78 PHE HA A 79 LYS H 1.0 1.496 2.488 1064 758 A 78 PHE HA A 78 PHE HD1 1.0 1.749 3.419 1065 758 A 78 PHE HA A 78 PHE HD2 1.0 1.749 3.419 1066 759 A 78 PHE HA A 83 GLU HA 1.0 1.600 2.820 1067 760 A 78 PHE HA A 83 GLU HGy 1.0 1.825 3.813 1068 761 A 78 PHE HA A 84 VAL HGy% 1.0 1.751 3.425 1069 762 A 78 PHE HB3 A 21 VAL HG1% 1.0 1.892 4.250 1070 763 A 80 ASN HA A 80 ASN H 1.0 1.473 2.419 1071 764 A 81 GLY H A 80 ASN HA 1.0 1.647 2.991 1072 765 A 17 GLN H A 80 ASN HA 1.0 1.902 4.330 1073 766 A 80 ASN HBx A 80 ASN HBy 1.0 1.411 2.247 1074 767 A 15 ILE HG1x A 81 GLY HAx 1.0 1.916 4.436 1075 768 A 82 LYS H A 81 GLY HAx 1.0 1.921 4.485 1076 769 A 81 GLY HAy A 16 ALA HB% 1.0 1.957 4.875 1077 770 A 81 GLY HAy A 81 GLY HAx 1.0 1.485 2.455 1078 771 A 81 GLY H A 81 GLY HAy 1.0 1.736 3.358 1079 772 A 83 GLU HGx A 83 GLU HA 1.0 1.846 3.934 1080 773 A 83 GLU HGy A 85 ALA H 1.0 1.862 4.040 1081 774 A 83 GLU HGy A 76 LEU HD2% 1.0 1.708 3.236 1082 775 A 84 VAL H A 84 VAL HA 1.0 1.686 3.144 1083 776 A 84 VAL HGx% A 84 VAL HA 1.0 1.433 2.307 1084 777 A 84 VAL HGy% A 84 VAL HA 1.0 1.641 2.969 1085 778 A 84 VAL HGy% A 84 VAL H 1.0 1.600 2.820 1086 779 A 84 VAL HGy% A 77 LEU H 1.0 1.877 4.143 1087 780 A 83 GLU HA A 84 VAL HGy% 1.0 1.834 3.860 1088 781 A 78 PHE HB2 A 84 VAL HGy% 1.0 1.888 4.216 1089 782 A 84 VAL HGy% A 79 LYS HB3 1.0 1.625 2.911 1090 783 A 77 LEU HBx A 84 VAL HGy% 1.0 1.490 2.470 1091 784 A 26 TYR HE1 A 40 ILE HD1% 1.0 1.918 4.458 1092 784 A 26 TYR HE2 A 40 ILE HD1% 1.0 1.918 4.458 1093 785 A 85 ALA HA A 86 LYS H 1.0 1.421 2.277 1094 786 A 85 ALA H A 85 ALA HA 1.0 1.657 3.029 1095 787 A 83 GLU HGx A 85 ALA HA 1.0 1.735 3.351 1096 788 A 77 LEU HD2% A 85 ALA HA 1.0 1.874 4.114 1097 789 A 85 ALA HB% A 84 VAL H 1.0 1.876 4.132 1098 790 A 85 ALA HB% A 86 LYS HA 1.0 1.843 3.915 1099 791 A 77 LEU HD2% A 85 ALA HB% 1.0 1.465 2.397 1100 792 A 26 TYR HD1 A 73 PRO HB3 1.0 1.913 4.413 1101 792 A 26 TYR HD2 A 73 PRO HB3 1.0 1.913 4.413 1102 793 A 36 ILE HD1% A 89 GLY HAx 1.0 1.919 4.467 1103 794 A 89 GLY HAy A 90 ALA H 1.0 1.934 4.618 1104 795 A 89 GLY HAy A 89 GLY H 1.0 1.771 3.525 1105 796 A 90 ALA HA A 91 ASN H 1.0 1.548 2.650 1106 797 A 90 ALA HB% A 90 ALA H 1.0 1.913 4.421 1107 798 A 63 VAL HA A 8 ALA HB% 1.0 1.830 3.838 1108 799 A 39 MET HB2 A 90 ALA HB% 1.0 1.678 3.114 1109 800 A 91 ASN H A 91 ASN HA 1.0 1.760 3.470 1110 801 A 35 MET HE% A 91 ASN HA 1.0 1.858 4.012 1111 802 A 91 ASN HBx A 91 ASN HBy 1.0 1.431 2.303 1112 803 A 94 ALA HB% A 95 ILE HA 1.0 1.827 3.821 1113 804 A 95 ILE HA A 98 ALA HB% 1.0 1.667 3.069 1114 805 A 95 ILE HA A 98 ALA H 1.0 1.806 3.700 1115 806 A 95 ILE HA A 95 ILE H 1.0 1.677 3.105 1116 807 A 95 ILE HA A 96 LYS H 1.0 1.838 3.890 1117 808 A 97 GLN HA A 100 ALA H 1.0 1.765 3.495 1118 809 A 98 ALA HA A 102 ASN HD21 1.0 1.736 3.356 1119 810 A 99 ILE HD1% A 98 ALA HA 1.0 1.906 4.360 1120 811 A 98 ALA HB% A 102 ASN HD21 1.0 1.807 3.705 1121 812 A 99 ILE HA A 100 ALA H 1.0 1.821 3.787 1122 813 A 99 ILE HA A 103 ALA H 1.0 1.888 4.222 1123 814 A 99 ILE HG1x A 98 ALA H 1.0 1.849 3.955 1124 815 A 101 ALA HB% A 102 ASN HD21 1.0 1.697 3.189 1125 816 A 7 THR H A 6 LYS HB2 1.0 1.898 4.296 1126 817 A 6 LYS HA A 5 PHE HBx 1.0 1.859 4.015 1127 818 A 7 THR H A 6 LYS HA 1.0 1.904 4.338 1128 819 A 6 LYS HA A 6 LYS H 1.0 1.758 3.456 1129 820 A 19 LYS HA A 19 LYS H 1.0 1.642 2.972 1130 821 A 17 GLN HBy A 19 LYS HG3 1.0 1.736 3.356 1131 822 A 42 LYS HA A 45 GLU H 1.0 1.796 3.650 1132 823 A 34 LYS HA A 34 LYS H 1.0 1.734 3.350 1133 824 A 42 LYS HA A 42 LYS H 1.0 1.597 2.811 1134 825 A 37 ALA HB% A 34 LYS HA 1.0 1.493 2.479 1135 826 A 42 LYS HA A 45 GLU HB2 1.0 1.486 2.458 1136 827 A 63 VAL HA A 66 LYS HG2 1.0 1.887 4.211 1137 828 A 66 LYS HA A 66 LYS HG2 1.0 1.805 3.695 1138 829 A 53 TYR HA A 54 LYS HB3 1.0 1.841 3.901 1139 830 A 54 LYS HB2 A 2 VAL HGx% 1.0 1.861 4.031 1140 831 A 24 ALA HB% A 54 LYS HB3 1.0 1.739 3.371 1141 832 A 54 LYS HB2 A 54 LYS HB3 1.0 1.687 3.149 1142 833 A 26 TYR HD1 A 54 LYS HB2 1.0 1.931 4.585 1143 833 A 26 TYR HD2 A 54 LYS HB2 1.0 1.931 4.585 1144 834 A 42 LYS HA A 43 PHE H 1.0 1.830 3.834 1145 835 A 43 PHE HA A 96 LYS HB2 1.0 1.672 3.088 1146 836 A 96 LYS HB3 A 96 LYS H 1.0 1.602 2.828 1147 837 A 79 LYS HA A 19 LYS H 1.0 1.878 4.144 1148 838 A 79 LYS HA A 80 ASN H 1.0 1.528 2.586 1149 839 A 79 LYS HA A 21 VAL H 1.0 1.836 3.874 1150 840 A 86 LYS HBy A 86 LYS H 1.0 1.862 4.040 1151 841 A 82 LYS HA A 82 LYS HBx 1.0 1.739 3.369 1152 842 A 83 GLU H A 82 LYS HBy 1.0 1.792 3.630 1153 843 A 83 GLU H A 82 LYS HBx 1.0 1.840 3.898 1154 844 A 86 LYS H A 86 LYS HA 1.0 1.750 3.420 1155 845 A 87 VAL H A 86 LYS HA 1.0 1.487 2.461 1156 846 A 86 LYS HA A 86 LYS HBx 1.0 1.766 3.498 1157 847 A 86 LYS H A 86 LYS HBx 1.0 1.837 3.881 1158 848 A 41 GLU HA A 2 VAL HB 1.0 1.887 4.211 1159 849 A 66 LYS HB2 A 8 ALA HB% 1.0 1.591 2.793 1160 850 A 95 ILE HG2% A 96 LYS H 1.0 1.787 3.601 1161 851 A 99 ILE HG2% A 99 ILE HD1% 1.0 1.550 2.654 1162 852 A 99 ILE HG2% A 99 ILE HB 1.0 1.602 2.832 1163 853 A 91 ASN HD22 A 92 PRO HDy 1.0 1.794 3.640 1164 854 A 91 ASN HD22 A 92 PRO HDx 1.0 1.819 3.773 1165 855 A 91 ASN HD21 A 92 PRO HDy 1.0 1.837 3.879 1166 856 A 35 MET HE% A 92 PRO HDy 1.0 1.581 2.757 1167 857 A 90 ALA HB% A 92 PRO HDx 1.0 1.665 3.059 1168 858 A 35 MET HA A 35 MET HGx 1.0 1.815 3.753 1169 859 A 1 MET HGx A 2 VAL HA 1.0 1.893 4.257 1170 860 A 33 CYS HB3 A 33 CYS HA 1.0 1.847 3.939 1171 861 A 25 PHE HBx A 74 THR HG2% 1.0 1.725 3.309 1172 862 A 82 LYS H A 82 LYS HG2 1.0 1.858 4.010 1173 863 A 9 SER H A 9 SER HA 1.0 1.855 3.993 1174 864 A 35 MET HE% A 92 PRO HDx 1.0 1.654 3.016 1175 865 A 4 GLN H A 3 THR HG2% 1.0 1.690 3.162 1176 866 A 8 ALA H A 8 ALA HB% 1.0 1.577 2.745 1177 867 A 99 ILE HB A 100 ALA H 1.0 1.647 2.995 1178 868 A 61 GLY H A 61 GLY HAx 1.0 1.680 3.118 1179 869 A 61 GLY H A 61 GLY HAy 1.0 1.762 3.480 1180 870 A 81 GLY H A 81 GLY HAx 1.0 1.660 3.044 1181 871 A 5 PHE HBx A 5 PHE H 1.0 1.836 3.872 1182 872 A 5 PHE HBy A 5 PHE H 1.0 1.713 3.257 1183 873 A 25 PHE HBx A 25 PHE H 1.0 1.883 4.183 1184 874 A 25 PHE HBy A 25 PHE H 1.0 1.783 3.585 1185 875 A 75 LEU HA A 25 PHE H 1.0 1.853 3.979 1186 876 A 74 THR H A 25 PHE H 1.0 1.885 4.197 1187 877 A 40 ILE HD1% A 25 PHE H 1.0 1.900 4.306 1188 878 A 69 VAL HGy% A 25 PHE H 1.0 1.946 4.738 1189 879 A 43 PHE HA A 43 PHE H 1.0 1.784 3.588 1190 880 A 9 SER H A 8 ALA HB% 1.0 1.878 4.150 1191 881 A 10 GLU H A 9 SER H 1.0 1.917 4.457 1192 882 A 44 SER H A 44 SER HBy 1.0 1.767 3.503 1193 883 A 44 SER H A 45 GLU H 1.0 1.744 3.392 1194 884 A 44 SER H A 2 VAL HGy% 1.0 1.902 4.328 1195 885 A 29 TRP H A 29 TRP HBy 1.0 1.849 3.951 1196 886 A 29 TRP H A 29 TRP HA 1.0 1.809 3.717 1197 887 A 5 PHE H A 4 GLN HBy 1.0 1.909 4.387 1198 888 A 5 PHE H A 4 GLN HBx 1.0 1.953 4.821 1199 889 A 4 GLN HA A 4 GLN H 1.0 1.668 3.072 1200 890 A 49 GLN HBy A 49 GLN H 1.0 1.666 3.064 1201 891 A 49 GLN H A 44 SER HA 1.0 1.961 4.925 1202 892 A 65 GLN HB2 A 65 GLN H 1.0 1.643 2.977 1203 893 A 97 GLN HA A 97 GLN H 1.0 1.680 3.120 1204 894 A 10 GLU HB2 A 10 GLU H 1.0 1.645 2.985 1205 895 A 45 GLU H A 46 GLN H 1.0 1.612 2.864 1206 896 A 73 PRO HB2 A 74 THR H 1.0 1.635 2.947 1207 897 A 19 LYS HB2 A 20 LEU H 1.0 1.563 2.699 1208 898 A 20 LEU HA A 20 LEU H 1.0 1.713 3.255 1209 899 A 55 LEU HA A 55 LEU H 1.0 1.856 4.002 1210 900 A 77 LEU HD1% A 77 LEU H 1.0 1.733 3.345 1211 901 A 55 LEU HD2% A 55 LEU H 1.0 1.814 3.746 1212 902 A 61 GLY H A 60 LEU HA 1.0 1.720 3.286 1213 903 A 60 LEU HBy A 60 LEU H 1.0 1.701 3.209 1214 904 A 55 LEU HD2% A 60 LEU H 1.0 1.816 3.760 1215 905 A 75 LEU HBx A 75 LEU H 1.0 1.755 3.445 1216 906 A 88 VAL HA A 75 LEU H 1.0 1.958 4.886 1217 907 A 76 LEU HBx A 76 LEU H 1.0 1.843 3.913 1218 908 A 75 LEU HBy A 76 LEU H 1.0 1.740 3.376 1219 909 A 77 LEU HBy A 77 LEU H 1.0 1.644 2.982 1220 910 A 26 TYR HD1 A 55 LEU H 1.0 1.857 4.005 1221 910 A 26 TYR HD2 A 55 LEU H 1.0 1.857 4.005 1222 911 A 25 PHE HA A 55 LEU H 1.0 1.872 4.102 1223 912 A 57 VAL H A 72 MET HE% 1.0 1.891 4.243 1224 913 A 54 LYS HB2 A 55 LEU H 1.0 1.870 4.092 1225 914 A 76 LEU HBx A 77 LEU H 1.0 1.936 4.638 1226 915 A 15 ILE HA A 15 ILE H 1.0 1.758 3.456 1227 916 A 15 ILE HG1y A 15 ILE H 1.0 1.666 3.064 1228 917 A 36 ILE H A 73 PRO HG3 1.0 1.793 3.633 1229 918 A 36 ILE HD1% A 36 ILE H 1.0 1.750 3.424 1230 919 A 40 ILE H A 40 ILE HD1% 1.0 1.875 4.121 1231 920 A 95 ILE HB A 95 ILE H 1.0 1.646 2.988 1232 921 A 95 ILE H A 93 ALA HA 1.0 1.874 4.116 1233 922 A 94 ALA HB% A 95 ILE H 1.0 1.790 3.618 1234 923 A 99 ILE HB A 99 ILE H 1.0 1.594 2.800 1235 924 A 98 ALA HA A 99 ILE H 1.0 1.891 4.241 1236 925 A 2 VAL H A 2 VAL HGy% 1.0 1.884 4.194 1237 926 A 20 LEU HA A 21 VAL H 1.0 1.528 2.586 1238 927 A 78 PHE HB3 A 21 VAL H 1.0 1.906 4.358 1239 928 A 23 VAL HB A 23 VAL H 1.0 1.721 3.293 1240 929 A 23 VAL HA A 23 VAL H 1.0 1.864 4.044 1241 930 A 58 ASP HB3 A 58 ASP H 1.0 1.667 3.067 1242 931 A 63 VAL HB A 63 VAL H 1.0 1.610 2.858 1243 932 A 69 VAL H A 68 GLU HA 1.0 1.663 3.051 1244 933 A 88 VAL H A 87 VAL HB 1.0 1.984 5.286 1245 934 A 87 VAL HA A 88 VAL H 1.0 1.549 2.653 1246 935 A 21 VAL HA A 22 VAL H 1.0 1.569 2.717 1247 936 A 75 LEU HA A 23 VAL H 1.0 1.956 4.862 1248 937 A 77 LEU HA A 23 VAL H 1.0 1.848 3.942 1249 938 A 77 LEU HD1% A 23 VAL H 1.0 1.735 3.353 1250 939 A 22 VAL HG2% A 22 VAL H 1.0 1.654 3.018 1251 940 A 39 MET HB2 A 39 MET H 1.0 1.817 3.761 1252 941 A 36 ILE HD1% A 39 MET H 1.0 1.941 4.681 1253 942 A 72 MET H A 71 ALA HA 1.0 1.592 2.796 1254 943 A 72 MET H A 72 MET HB2 1.0 1.775 3.543 1255 944 A 72 MET H A 71 ALA HB% 1.0 1.695 3.183 1256 945 A 49 GLN H A 48 PRO HA 1.0 1.799 3.665 1257 946 A 3 THR HG2% A 3 THR H 1.0 1.859 4.021 1258 947 A 53 TYR HBx A 3 THR H 1.0 1.987 5.357 1259 948 A 1 MET HGx A 3 THR H 1.0 1.976 5.148 1260 949 A 3 THR H A 54 LYS H 1.0 1.931 4.579 1261 950 A 4 GLN H A 3 THR H 1.0 1.956 4.848 1262 951 A 4 GLN H A 54 LYS H 1.0 1.960 4.912 1263 952 A 4 GLN H A 3 THR HB 1.0 1.989 5.405 1264 953 A 54 LYS HB2 A 4 GLN HE22 1.0 1.998 5.734 1265 954 A 4 GLN HBy A 4 GLN HE22 1.0 1.941 4.681 1266 955 A 4 GLN HA A 4 GLN HE22 1.0 1.631 2.935 1267 956 A 4 GLN HE22 A 4 GLN HE21 1.0 1.392 2.196 1268 957 A 4 GLN HA A 4 GLN HE21 1.0 1.640 2.968 1269 958 A 4 GLN HBy A 4 GLN HE21 1.0 1.891 4.241 1270 959 A 54 LYS HB2 A 4 GLN HE21 1.0 1.978 5.186 1271 960 A 55 LEU HD1% A 5 PHE H 1.0 1.929 4.565 1272 961 A 55 LEU HBx A 5 PHE H 1.0 1.887 4.215 1273 962 A 55 LEU HA A 5 PHE H 1.0 1.932 4.598 1274 963 A 5 PHE HD2 A 5 PHE H 1.0 1.867 4.071 1275 963 A 5 PHE HD1 A 5 PHE H 1.0 1.867 4.071 1276 964 A 6 LYS H A 5 PHE HD2 1.0 1.916 4.444 1277 964 A 6 LYS H A 5 PHE HD1 1.0 1.916 4.444 1278 965 A 6 LYS H A 5 PHE HBx 1.0 1.871 4.101 1279 966 A 6 LYS H A 5 PHE HBy 1.0 1.942 4.702 1280 967 A 6 LYS H A 7 THR HG2% 1.0 1.963 4.953 1281 968 A 55 LEU HD1% A 6 LYS H 1.0 1.964 4.954 1282 969 A 55 LEU HD1% A 7 THR H 1.0 1.847 3.935 1283 970 A 7 THR H A 7 THR HG2% 1.0 1.830 3.838 1284 971 A 10 GLU HB3 A 7 THR H 1.0 1.778 3.558 1285 972 A 7 THR H A 10 GLU HGy 1.0 1.873 4.111 1286 973 A 7 THR H A 5 PHE HBx 1.0 1.875 4.129 1287 974 A 7 THR H A 5 PHE HD2 1.0 1.972 5.086 1288 974 A 7 THR H A 5 PHE HD1 1.0 1.972 5.086 1289 975 A 7 THR H A 6 LYS H 1.0 1.588 2.782 1290 976 A 9 SER H A 8 ALA H 1.0 1.958 4.876 1291 977 A 10 GLU H A 8 ALA HB% 1.0 1.969 5.025 1292 978 A 10 GLU H A 7 THR HG2% 1.0 1.960 4.906 1293 979 A 10 GLU H A 9 SER HA 1.0 1.953 4.823 1294 980 A 10 GLU H A 11 PHE H 1.0 1.752 3.432 1295 981 A 12 ASP H A 11 PHE H 1.0 1.684 3.138 1296 982 A 5 PHE HD1 A 11 PHE H 1.0 1.935 4.623 1297 982 A 5 PHE HD2 A 11 PHE H 1.0 1.935 4.623 1298 983 A 10 GLU HB3 A 11 PHE H 1.0 1.781 3.571 1299 984 A 63 VAL HGx% A 11 PHE H 1.0 1.947 4.749 1300 985 A 14 ALA HB% A 11 PHE H 1.0 1.979 5.195 1301 986 A 12 ASP HBy A 12 ASP H 1.0 1.676 3.106 1302 987 A 12 ASP H A 11 PHE HB3 1.0 1.741 3.379 1303 988 A 12 ASP H A 9 SER HA 1.0 1.899 4.301 1304 989 A 12 ASP HBy A 13 SER H 1.0 1.703 3.213 1305 990 A 15 ILE HD1% A 14 ALA H 1.0 1.962 4.928 1306 991 A 15 ILE HG1y A 14 ALA H 1.0 1.980 5.230 1307 992 A 11 PHE HA A 14 ALA H 1.0 1.869 4.087 1308 993 A 13 SER HB2 A 14 ALA H 1.0 1.680 3.120 1309 994 A 15 ILE H A 14 ALA H 1.0 1.698 3.196 1310 995 A 15 ILE H A 16 ALA H 1.0 1.745 3.399 1311 996 A 15 ILE HD1% A 16 ALA H 1.0 1.911 4.403 1312 997 A 16 ALA HB% A 16 ALA H 1.0 1.558 2.682 1313 998 A 15 ILE HA A 16 ALA H 1.0 1.831 3.843 1314 999 A 14 ALA H A 16 ALA H 1.0 1.880 4.160 1315 1000 A 17 GLN H A 17 GLN HE22 1.0 1.931 4.585 1316 1001 A 17 GLN H A 16 ALA H 1.0 1.754 3.442 1317 1002 A 15 ILE HA A 17 GLN H 1.0 1.870 4.094 1318 1003 A 17 GLN HBy A 17 GLN H 1.0 1.715 3.267 1319 1004 A 17 GLN HBx A 17 GLN H 1.0 1.673 3.093 1320 1005 A 17 GLN H A 16 ALA HB% 1.0 1.793 3.633 1321 1006 A 19 LYS HG3 A 18 ASP H 1.0 1.982 5.262 1322 1007 A 17 GLN HBy A 18 ASP H 1.0 1.830 3.836 1323 1008 A 18 ASP H A 18 ASP HBy 1.0 1.807 3.709 1324 1009 A 18 ASP H A 18 ASP HBx 1.0 1.841 3.903 1325 1010 A 17 GLN H A 18 ASP H 1.0 1.986 5.346 1326 1011 A 19 LYS H A 80 ASN H 1.0 1.778 3.558 1327 1012 A 19 LYS H A 18 ASP H 1.0 1.825 3.805 1328 1013 A 17 GLN HBy A 19 LYS H 1.0 1.871 4.097 1329 1014 A 19 LYS H A 19 LYS HG3 1.0 1.640 2.968 1330 1015 A 19 LYS HA A 20 LEU H 1.0 1.597 2.811 1331 1016 A 50 ALA HA A 20 LEU H 1.0 1.924 4.516 1332 1017 A 78 PHE H A 21 VAL H 1.0 1.823 3.799 1333 1018 A 20 LEU H A 21 VAL H 1.0 1.956 4.862 1334 1019 A 20 LEU HD1% A 21 VAL H 1.0 1.744 3.392 1335 1020 A 78 PHE HD2 A 23 VAL H 1.0 1.979 5.213 1336 1020 A 78 PHE HD1 A 23 VAL H 1.0 1.979 5.213 1337 1021 A 76 LEU HBy A 23 VAL H 1.0 1.960 4.908 1338 1022 A 24 ALA H A 40 ILE HD1% 1.0 1.896 4.280 1339 1023 A 23 VAL HB A 24 ALA H 1.0 1.977 5.165 1340 1024 A 24 ALA H A 23 VAL HA 1.0 1.637 2.955 1341 1025 A 24 ALA H A 54 LYS H 1.0 1.998 5.724 1342 1026 A 24 ALA H A 25 PHE H 1.0 1.964 4.964 1343 1027 A 11 PHE HE2 A 25 PHE H 1.0 1.989 5.395 1344 1027 A 11 PHE HE1 A 25 PHE H 1.0 1.989 5.395 1345 1028 A 26 TYR H A 57 VAL HG1% 1.0 1.859 4.015 1346 1029 A 26 TYR HB3 A 26 TYR H 1.0 1.832 3.850 1347 1030 A 26 TYR H A 25 PHE HBy 1.0 1.985 5.313 1348 1031 A 26 TYR H A 56 ASP HA 1.0 1.908 4.376 1349 1032 A 26 TYR H A 25 PHE H 1.0 1.953 4.823 1350 1033 A 26 TYR HB2 A 27 ALA H 1.0 1.674 3.094 1351 1034 A 27 ALA HB% A 28 THR H 1.0 1.826 3.810 1352 1035 A 58 ASP HB2 A 28 THR H 1.0 1.984 5.294 1353 1036 A 29 TRP H A 28 THR HA 1.0 1.926 4.538 1354 1037 A 29 TRP H A 29 TRP HBx 1.0 1.870 4.092 1355 1038 A 29 TRP H A 28 THR HG2% 1.0 1.978 5.180 1356 1039 A 27 ALA HB% A 29 TRP H 1.0 1.801 3.673 1357 1040 A 27 ALA HB% A 30 CYS H 1.0 1.881 4.163 1358 1041 A 30 CYS H A 30 CYS HBy 1.0 1.839 3.891 1359 1042 A 30 CYS H A 30 CYS HBx 1.0 1.825 3.811 1360 1043 A 30 CYS H A 27 ALA H 1.0 1.974 5.106 1361 1044 A 36 ILE HB A 37 ALA H 1.0 1.899 4.305 1362 1045 A 37 ALA HB% A 39 MET H 1.0 1.968 5.018 1363 1046 A 40 ILE H A 39 MET H 1.0 1.721 3.293 1364 1047 A 40 ILE H A 41 GLU H 1.0 1.750 3.420 1365 1048 A 38 PRO HA A 40 ILE H 1.0 1.953 4.819 1366 1049 A 2 VAL HGy% A 41 GLU H 1.0 1.900 4.312 1367 1050 A 40 ILE HB A 41 GLU H 1.0 1.639 2.961 1368 1051 A 42 LYS HB2 A 42 LYS H 1.0 1.529 2.589 1369 1052 A 42 LYS HB2 A 43 PHE H 1.0 1.686 3.146 1370 1053 A 43 PHE HD1 A 43 PHE H 1.0 1.869 4.083 1371 1053 A 43 PHE HD2 A 43 PHE H 1.0 1.869 4.083 1372 1054 A 42 LYS H A 43 PHE H 1.0 1.759 3.465 1373 1055 A 44 SER H A 43 PHE H 1.0 1.736 3.360 1374 1056 A 46 GLN HB3 A 47 TYR H 1.0 1.861 4.029 1375 1057 A 47 TYR HB2 A 47 TYR H 1.0 1.724 3.300 1376 1058 A 46 GLN HA A 47 TYR H 1.0 1.882 4.168 1377 1059 A 47 TYR H A 45 GLU H 1.0 1.893 4.255 1378 1060 A 44 SER H A 47 TYR H 1.0 1.947 4.757 1379 1061 A 15 ILE HG1x A 12 ASP H 1.0 1.990 5.456 1380 1062 A 12 ASP HBy A 14 ALA H 1.0 1.996 5.622 1381 1063 A 17 GLN H A 81 GLY HAx 1.0 1.995 5.579 1382 1064 A 29 TRP H A 28 THR H 1.0 1.803 3.683 1383 1065 A 30 CYS H A 28 THR HA 1.0 1.991 5.473 1384 1066 A 26 TYR HD2 A 37 ALA H 1.0 1.976 5.144 1385 1066 A 26 TYR HD1 A 37 ALA H 1.0 1.976 5.144 1386 1067 A 39 MET H A 41 GLU H 1.0 1.910 4.394 1387 1068 A 39 MET HA A 43 PHE H 1.0 1.914 4.432 1388 1069 A 44 SER H A 44 SER HA 1.0 1.712 3.252 1389 1070 A 44 SER H A 43 PHE HD2 1.0 1.928 4.556 1390 1070 A 44 SER H A 43 PHE HD1 1.0 1.928 4.556 1391 1071 A 43 PHE HA A 45 GLU H 1.0 1.948 4.758 1392 1072 A 50 ALA HB% A 49 GLN H 1.0 1.930 4.574 1393 1073 A 49 GLN H A 50 ALA H 1.0 1.647 2.993 1394 1074 A 50 ALA H A 50 ALA HA 1.0 1.730 3.330 1395 1075 A 50 ALA H A 48 PRO HA 1.0 1.882 4.170 1396 1076 A 50 ALA H A 44 SER HA 1.0 1.886 4.206 1397 1077 A 49 GLN HG2 A 50 ALA H 1.0 1.951 4.793 1398 1078 A 50 ALA HB% A 50 ALA H 1.0 1.590 2.790 1399 1079 A 20 LEU HD1% A 51 ASP H 1.0 1.964 4.960 1400 1080 A 50 ALA HB% A 51 ASP H 1.0 1.648 2.994 1401 1081 A 19 LYS HB2 A 51 ASP H 1.0 1.965 4.969 1402 1082 A 22 VAL H A 51 ASP H 1.0 1.894 4.262 1403 1083 A 52 PHE H A 53 TYR H 1.0 1.953 4.825 1404 1084 A 52 PHE H A 52 PHE HBy 1.0 1.753 3.439 1405 1085 A 2 VAL HGx% A 52 PHE H 1.0 1.961 4.919 1406 1086 A 2 VAL HGx% A 53 TYR H 1.0 1.883 4.183 1407 1087 A 53 TYR H A 24 ALA HB% 1.0 1.913 4.417 1408 1088 A 53 TYR HBy A 53 TYR H 1.0 1.809 3.717 1409 1089 A 52 PHE HBx A 53 TYR H 1.0 1.885 4.191 1410 1090 A 53 TYR H A 52 PHE HBy 1.0 1.962 4.938 1411 1091 A 53 TYR H A 23 VAL HA 1.0 1.855 3.991 1412 1092 A 53 TYR HA A 53 TYR H 1.0 1.850 3.960 1413 1093 A 53 TYR H A 54 LYS H 1.0 1.985 5.319 1414 1094 A 53 TYR H A 22 VAL H 1.0 1.883 4.183 1415 1095 A 53 TYR HD1 A 54 LYS H 1.0 1.936 4.628 1416 1095 A 53 TYR HD2 A 54 LYS H 1.0 1.936 4.628 1417 1096 A 4 GLN HA A 54 LYS H 1.0 1.791 3.621 1418 1097 A 5 PHE HBy A 54 LYS H 1.0 1.977 5.163 1419 1098 A 53 TYR HBx A 54 LYS H 1.0 1.736 3.358 1420 1099 A 54 LYS HB2 A 54 LYS H 1.0 1.874 4.116 1421 1100 A 2 VAL HGx% A 54 LYS H 1.0 1.801 3.677 1422 1101 A 56 ASP H A 60 LEU H 1.0 1.951 4.795 1423 1102 A 56 ASP H A 56 ASP HA 1.0 1.872 4.100 1424 1103 A 55 LEU HA A 56 ASP H 1.0 1.620 2.894 1425 1104 A 56 ASP H A 56 ASP HBx 1.0 1.756 3.452 1426 1105 A 56 ASP H A 55 LEU HG 1.0 1.843 3.917 1427 1106 A 55 LEU HD2% A 56 ASP H 1.0 1.857 4.009 1428 1107 A 58 ASP HA A 58 ASP H 1.0 1.750 3.420 1429 1108 A 56 ASP HA A 58 ASP H 1.0 1.946 4.744 1430 1109 A 57 VAL HA A 58 ASP H 1.0 1.936 4.638 1431 1110 A 56 ASP HBx A 58 ASP H 1.0 1.940 4.670 1432 1111 A 59 GLU H A 58 ASP H 1.0 1.622 2.902 1433 1112 A 82 LYS H A 82 LYS HA 1.0 1.709 3.239 1434 1113 A 59 GLU H A 57 VAL HA 1.0 1.947 4.745 1435 1114 A 58 ASP H A 60 LEU H 1.0 1.927 4.543 1436 1115 A 61 GLY H A 60 LEU H 1.0 1.823 3.795 1437 1116 A 59 GLU HA A 60 LEU H 1.0 1.904 4.348 1438 1117 A 61 GLY H A 63 VAL HGx% 1.0 1.987 5.381 1439 1118 A 63 VAL H A 61 GLY H 1.0 1.937 4.641 1440 1119 A 61 GLY H A 62 ASP H 1.0 1.824 3.804 1441 1120 A 63 VAL H A 62 ASP H 1.0 1.808 3.710 1442 1121 A 62 ASP H A 61 GLY HAx 1.0 1.915 4.439 1443 1122 A 62 ASP H A 61 GLY HAy 1.0 1.939 4.655 1444 1123 A 62 ASP H A 62 ASP HBy 1.0 1.821 3.791 1445 1124 A 63 VAL HB A 62 ASP H 1.0 1.987 5.363 1446 1125 A 60 LEU HBx A 62 ASP H 1.0 1.961 4.923 1447 1126 A 63 VAL HGx% A 62 ASP H 1.0 1.950 4.796 1448 1127 A 63 VAL H A 63 VAL HGx% 1.0 1.571 2.725 1449 1128 A 94 ALA HB% A 94 ALA H 1.0 1.526 2.580 1450 1129 A 63 VAL H A 62 ASP HBy 1.0 1.906 4.362 1451 1130 A 63 VAL H A 61 GLY HAy 1.0 1.956 4.854 1452 1131 A 64 ALA H A 65 GLN H 1.0 1.721 3.293 1453 1132 A 64 ALA H A 66 LYS H 1.0 1.960 4.906 1454 1133 A 63 VAL HA A 64 ALA H 1.0 1.916 4.446 1455 1134 A 63 VAL HB A 64 ALA H 1.0 1.701 3.203 1456 1135 A 63 VAL HGx% A 64 ALA H 1.0 1.860 4.022 1457 1136 A 69 VAL HGx% A 64 ALA H 1.0 1.860 4.020 1458 1137 A 63 VAL HB A 65 GLN H 1.0 1.936 4.640 1459 1138 A 64 ALA HB% A 65 GLN H 1.0 1.695 3.179 1460 1139 A 69 VAL HGx% A 65 GLN H 1.0 1.983 5.283 1461 1140 A 65 GLN H A 66 LYS H 1.0 1.726 3.314 1462 1141 A 65 GLN HB2 A 66 LYS H 1.0 1.672 3.090 1463 1142 A 66 LYS HB2 A 66 LYS H 1.0 1.603 2.831 1464 1143 A 69 VAL HGx% A 66 LYS H 1.0 1.976 5.144 1465 1144 A 69 VAL HGx% A 67 ASN H 1.0 1.874 4.124 1466 1145 A 67 ASN H A 67 ASN HBy 1.0 1.798 3.660 1467 1146 A 67 ASN H A 67 ASN HD22 1.0 1.865 4.057 1468 1147 A 67 ASN H A 66 LYS H 1.0 1.710 3.246 1469 1148 A 68 GLU H A 67 ASN H 1.0 1.653 3.015 1470 1149 A 67 ASN H A 67 ASN HD21 1.0 1.740 3.378 1471 1150 A 67 ASN H A 65 GLN H 1.0 1.978 5.170 1472 1151 A 69 VAL H A 69 VAL HGy% 1.0 1.865 4.053 1473 1152 A 33 CYS HA A 34 LYS H 1.0 1.825 3.809 1474 1153 A 69 VAL H A 67 ASN H 1.0 1.905 4.351 1475 1154 A 69 VAL HGy% A 70 SER H 1.0 1.975 5.139 1476 1155 A 69 VAL HGy% A 71 ALA H 1.0 1.879 4.149 1477 1156 A 71 ALA H A 71 ALA HB% 1.0 1.733 3.345 1478 1157 A 69 VAL HA A 71 ALA H 1.0 1.932 4.594 1479 1158 A 70 SER H A 71 ALA H 1.0 1.819 3.777 1480 1159 A 72 MET H A 71 ALA H 1.0 1.982 5.256 1481 1160 A 74 THR H A 25 PHE HBy 1.0 1.886 4.202 1482 1161 A 74 THR H A 75 LEU H 1.0 1.976 5.162 1483 1162 A 87 VAL HA A 75 LEU H 1.0 1.974 5.110 1484 1163 A 77 LEU HD1% A 76 LEU H 1.0 1.916 4.448 1485 1164 A 76 LEU HBy A 76 LEU H 1.0 1.906 4.362 1486 1165 A 11 PHE HE1 A 76 LEU H 1.0 1.968 5.016 1487 1165 A 11 PHE HE2 A 76 LEU H 1.0 1.968 5.016 1488 1166 A 76 LEU H A 23 VAL H 1.0 1.785 3.593 1489 1167 A 85 ALA HA A 77 LEU H 1.0 1.947 4.751 1490 1168 A 77 LEU HBx A 78 PHE H 1.0 1.866 4.062 1491 1169 A 77 LEU HG A 78 PHE H 1.0 1.918 4.458 1492 1170 A 78 PHE HB3 A 78 PHE H 1.0 1.764 3.488 1493 1171 A 20 LEU HA A 78 PHE H 1.0 1.921 4.493 1494 1172 A 78 PHE HD1 A 78 PHE H 1.0 1.788 3.608 1495 1172 A 78 PHE HD2 A 78 PHE H 1.0 1.788 3.608 1496 1173 A 85 ALA H A 78 PHE H 1.0 1.992 5.498 1497 1174 A 77 LEU H A 78 PHE H 1.0 1.991 5.485 1498 1175 A 78 PHE HD1 A 79 LYS H 1.0 1.940 4.674 1499 1175 A 78 PHE HD2 A 79 LYS H 1.0 1.940 4.674 1500 1176 A 79 LYS HA A 79 LYS H 1.0 1.768 3.508 1501 1177 A 83 GLU HA A 79 LYS H 1.0 1.905 4.355 1502 1178 A 79 LYS HB2 A 79 LYS H 1.0 1.747 3.409 1503 1179 A 84 VAL HGy% A 79 LYS H 1.0 1.835 3.869 1504 1180 A 79 LYS H A 78 PHE H 1.0 1.988 5.412 1505 1181 A 83 GLU H A 82 LYS HA 1.0 1.492 2.478 1506 1182 A 80 ASN HBy A 80 ASN H 1.0 1.908 4.378 1507 1183 A 80 ASN HBx A 80 ASN H 1.0 1.856 3.998 1508 1184 A 79 LYS HB2 A 80 ASN H 1.0 1.872 4.102 1509 1185 A 82 LYS H A 81 GLY H 1.0 1.754 3.442 1510 1186 A 81 GLY H A 17 GLN H 1.0 1.969 5.033 1511 1187 A 81 GLY H A 80 ASN HBy 1.0 1.972 5.088 1512 1188 A 78 PHE HB3 A 81 GLY H 1.0 1.959 4.903 1513 1189 A 81 GLY H A 16 ALA HB% 1.0 1.955 4.845 1514 1190 A 15 ILE HG1x A 81 GLY H 1.0 1.997 5.675 1515 1191 A 82 LYS H A 82 LYS HBx 1.0 1.643 2.975 1516 1192 A 82 LYS H A 81 GLY HAy 1.0 1.871 4.101 1517 1193 A 78 PHE HA A 82 LYS H 1.0 1.964 4.954 1518 1194 A 82 LYS H A 79 LYS H 1.0 1.679 3.117 1519 1195 A 59 GLU H A 28 THR H 1.0 1.946 4.732 1520 1196 A 83 GLU H A 84 VAL H 1.0 1.931 4.585 1521 1197 A 83 GLU H A 82 LYS H 1.0 1.945 4.737 1522 1198 A 78 PHE HD1 A 83 GLU H 1.0 1.918 4.456 1523 1198 A 78 PHE HD2 A 83 GLU H 1.0 1.918 4.456 1524 1199 A 84 VAL H A 79 LYS H 1.0 1.915 4.435 1525 1200 A 84 VAL H A 77 LEU H 1.0 1.979 5.197 1526 1201 A 78 PHE HD1 A 84 VAL H 1.0 1.969 5.043 1527 1201 A 78 PHE HD2 A 84 VAL H 1.0 1.969 5.043 1528 1202 A 85 ALA H A 84 VAL HGy% 1.0 1.695 3.181 1529 1203 A 76 LEU HD2% A 85 ALA H 1.0 1.879 4.149 1530 1204 A 83 GLU HGx A 85 ALA H 1.0 1.698 3.192 1531 1205 A 85 ALA H A 84 VAL HB 1.0 1.922 4.506 1532 1206 A 85 ALA H A 76 LEU HA 1.0 1.971 5.077 1533 1207 A 78 PHE HA A 85 ALA H 1.0 1.939 4.661 1534 1208 A 85 ALA H A 77 LEU H 1.0 1.786 3.596 1535 1209 A 85 ALA H A 84 VAL H 1.0 1.553 2.665 1536 1210 A 87 VAL H A 86 LYS H 1.0 1.906 4.362 1537 1211 A 85 ALA H A 86 LYS H 1.0 1.905 4.351 1538 1212 A 85 ALA HB% A 86 LYS H 1.0 1.706 3.226 1539 1213 A 87 VAL H A 75 LEU H 1.0 1.783 3.581 1540 1214 A 75 LEU HBx A 87 VAL H 1.0 1.768 3.508 1541 1215 A 87 VAL H A 74 THR HG2% 1.0 1.707 3.229 1542 1216 A 75 LEU HA A 87 VAL H 1.0 1.978 5.174 1543 1217 A 88 VAL H A 75 LEU H 1.0 1.985 5.339 1544 1218 A 89 GLY H A 88 VAL H 1.0 1.945 4.731 1545 1219 A 75 LEU HD1% A 89 GLY H 1.0 1.733 3.345 1546 1220 A 90 ALA HB% A 89 GLY H 1.0 1.957 4.871 1547 1221 A 89 GLY H A 89 GLY HAx 1.0 1.729 3.325 1548 1222 A 89 GLY H A 87 VAL HA 1.0 1.894 4.266 1549 1223 A 89 GLY H A 75 LEU H 1.0 1.959 4.907 1550 1224 A 89 GLY HAx A 90 ALA H 1.0 1.995 5.585 1551 1225 A 91 ASN H A 91 ASN HBy 1.0 1.686 3.146 1552 1226 A 35 MET HE% A 91 ASN H 1.0 1.950 4.790 1553 1227 A 90 ALA HB% A 91 ASN H 1.0 1.854 3.986 1554 1228 A 95 ILE H A 94 ALA H 1.0 1.627 2.917 1555 1229 A 91 ASN HBy A 94 ALA H 1.0 1.896 4.274 1556 1230 A 93 ALA HA A 96 LYS H 1.0 1.863 4.047 1557 1231 A 95 ILE H A 96 LYS H 1.0 1.685 3.137 1558 1232 A 97 GLN H A 96 LYS HB3 1.0 1.620 2.896 1559 1233 A 94 ALA HA A 97 GLN H 1.0 1.775 3.545 1560 1234 A 97 GLN H A 96 LYS H 1.0 1.694 3.178 1561 1235 A 97 GLN H A 98 ALA H 1.0 1.640 2.966 1562 1236 A 95 ILE HG2% A 98 ALA H 1.0 1.882 4.176 1563 1237 A 102 ASN HD22 A 99 ILE H 1.0 1.959 4.907 1564 1238 A 99 ILE H A 98 ALA H 1.0 1.684 3.134 1565 1239 A 99 ILE HD1% A 100 ALA H 1.0 1.871 4.093 1566 1240 A 99 ILE H A 100 ALA H 1.0 1.683 3.129 1567 1241 A 100 ALA H A 101 ALA H 1.0 1.717 3.273 1568 1242 A 35 MET H A 34 LYS H 1.0 1.867 4.069 1569 1243 A 101 ALA H A 102 ASN H 1.0 1.672 3.088 1570 1244 A 102 ASN HBy A 101 ALA H 1.0 1.950 4.782 1571 1245 A 101 ALA HB% A 101 ALA H 1.0 1.497 2.489 1572 1246 A 103 ALA H A 102 ASN H 1.0 1.528 2.584 1573 1247 A 102 ASN HBy A 103 ALA H 1.0 1.951 4.795 1574 1248 A 102 ASN HBx A 103 ALA H 1.0 1.877 4.137 1575 1249 A 20 LEU HD2% A 103 ALA H 1.0 1.984 5.292 1576 1250 A 101 ALA HB% A 97 GLN HE21 1.0 1.942 4.690 1577 1251 A 80 ASN HBx A 80 ASN HD22 1.0 1.821 3.785 1578 1252 A 80 ASN HBy A 80 ASN HD22 1.0 1.857 4.009 1579 1253 A 80 ASN HD22 A 80 ASN HD21 1.0 1.271 1.899 1580 1254 A 102 ASN HD22 A 99 ILE HG2% 1.0 1.911 4.399 1581 1255 A 102 ASN HD22 A 102 ASN HD21 1.0 1.440 2.326 1582 1256 A 11 PHE HE1 A 67 ASN HD22 1.0 1.826 3.816 1583 1256 A 11 PHE HE2 A 67 ASN HD22 1.0 1.826 3.816 1584 1257 A 67 ASN HBx A 67 ASN HD22 1.0 1.886 4.204 1585 1258 A 99 ILE H A 102 ASN HD21 1.0 1.937 4.643 1586 1259 A 102 ASN HA A 102 ASN HD21 1.0 1.960 4.916 1587 1260 A 85 ALA HB% A 102 ASN HD21 1.0 1.763 3.485 1588 1261 A 67 ASN HBx A 67 ASN HD21 1.0 1.778 3.558 1589 1262 A 67 ASN HBy A 67 ASN HD21 1.0 1.895 4.279 1590 1263 A 67 ASN HD21 A 67 ASN HD22 1.0 1.488 2.462 1591 1264 A 67 ASN HD21 A 11 PHE HE1 1.0 1.813 3.739 1592 1264 A 67 ASN HD21 A 11 PHE HE2 1.0 1.813 3.739 1593 1265 A 97 GLN HE21 A 97 GLN HE22 1.0 1.345 2.077 1594 1266 A 79 LYS HB2 A 80 ASN HD21 1.0 1.966 4.996 1595 1267 A 80 ASN HBx A 80 ASN HD21 1.0 1.871 4.099 1596 1268 A 80 ASN HBy A 80 ASN HD21 1.0 1.921 4.485 1597 1269 A 91 ASN HD22 A 91 ASN HD21 1.0 1.614 2.872 1598 1270 A 14 ALA HB% A 17 GLN HE22 1.0 1.767 3.503 1599 1271 A 17 GLN HBx A 17 GLN HE22 1.0 1.886 4.200 1600 1272 A 49 GLN HBy A 49 GLN HE21 1.0 1.931 4.575 1601 1273 A 14 ALA HA A 17 GLN HE22 1.0 1.846 3.932 1602 1274 A 94 ALA HB% A 91 ASN HD22 1.0 1.955 4.845 1603 1275 A 91 ASN HBy A 91 ASN HD22 1.0 1.915 4.435 1604 1276 A 101 ALA HB% A 97 GLN HE22 1.0 1.975 5.131 1605 1277 A 41 GLU HA A 42 LYS H 1.0 1.915 4.435 1606 1278 A 66 LYS HB2 A 67 ASN HD21 1.0 1.958 4.890 1607 1279 A 63 VAL HA A 67 ASN HD21 1.0 1.970 5.048 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 11 PHE H A 7 THR O 1.0 1.8 2.3 2 2 A 7 THR O A 11 PHE N 1.0 2.8 3.3 3 3 A 14 ALA H A 10 GLU O 1.0 1.8 2.3 4 4 A 10 GLU O A 14 ALA N 1.0 2.8 3.3 5 5 A 16 ALA H A 12 ASP O 1.0 1.8 2.3 6 6 A 12 ASP O A 16 ALA N 1.0 2.8 3.3 7 7 A 37 ALA H A 33 CYS O 1.0 1.8 2.3 8 8 A 33 CYS O A 37 ALA N 1.0 2.8 3.3 9 9 A 34 LYS O A 38 PRO N 1.0 2.8 3.3 10 10 A 39 MET H A 35 MET O 1.0 1.8 2.3 11 11 A 35 MET O A 39 MET N 1.0 2.8 3.3 12 12 A 41 GLU H A 37 ALA O 1.0 1.8 2.3 13 13 A 37 ALA O A 41 GLU N 1.0 2.8 3.3 14 14 A 42 LYS H A 38 PRO O 1.0 1.8 2.3 15 15 A 38 PRO O A 42 LYS N 1.0 2.8 3.3 16 16 A 43 PHE H A 39 MET O 1.0 1.8 2.3 17 17 A 39 MET O A 43 PHE N 1.0 2.8 3.3 18 18 A 45 GLU H A 41 GLU O 1.0 1.8 2.3 19 19 A 41 GLU O A 45 GLU N 1.0 2.8 3.3 20 20 A 46 GLN H A 42 LYS O 1.0 1.8 2.3 21 21 A 42 LYS O A 46 GLN N 1.0 2.8 3.3 22 22 A 60 LEU H A 56 ASP O 1.0 1.8 2.3 23 23 A 56 ASP O A 60 LEU N 1.0 2.8 3.3 24 24 A 64 ALA H A 60 LEU O 1.0 1.8 2.3 25 25 A 60 LEU O A 64 ALA N 1.0 2.8 3.3 26 26 A 65 GLN H A 61 GLY O 1.0 1.8 2.3 27 27 A 61 GLY O A 65 GLN N 1.0 2.8 3.3 28 28 A 66 LYS H A 62 ASP O 1.0 1.8 2.3 29 29 A 62 ASP O A 66 LYS N 1.0 2.8 3.3 30 30 A 98 ALA H A 94 ALA O 1.0 1.8 2.3 31 31 A 94 ALA O A 98 ALA N 1.0 2.8 3.3 32 32 A 101 ALA H A 97 GLN O 1.0 1.8 2.3 33 33 A 97 GLN O A 101 ALA N 1.0 2.8 3.3 34 34 A 102 ASN H A 98 ALA O 1.0 1.8 2.3 35 35 A 98 ALA O A 102 ASN N 1.0 2.8 3.3 36 36 A 3 THR N A 52 PHE O 1.0 2.4 3.7 37 37 A 52 PHE O A 3 THR H 1.0 1.4 2.7 38 38 A 75 LEU N A 87 VAL O 1.0 2.4 3.7 39 39 A 87 VAL O A 75 LEU H 1.0 1.4 2.7 40 40 A 77 LEU N A 85 ALA O 1.0 2.4 3.7 41 41 A 85 ALA O A 77 LEU H 1.0 1.4 2.7 42 42 A 79 LYS N A 83 GLU O 1.0 2.4 3.7 43 43 A 83 GLU O A 79 LYS H 1.0 1.4 2.7 44 44 A 25 PHE N A 74 THR O 1.0 2.4 3.7 45 45 A 74 THR O A 25 PHE H 1.0 1.4 2.7 46 46 A 76 LEU N A 23 VAL O 1.0 2.4 3.7 47 47 A 23 VAL O A 76 LEU H 1.0 1.4 2.7 48 48 A 23 VAL N A 76 LEU O 1.0 2.4 3.7 49 49 A 76 LEU O A 23 VAL H 1.0 1.4 2.7 50 50 A 78 PHE N A 21 VAL O 1.0 2.4 3.7 51 51 A 21 VAL O A 78 PHE H 1.0 1.4 2.7 52 52 A 21 VAL N A 78 PHE O 1.0 2.4 3.7 53 53 A 78 PHE O A 21 VAL H 1.0 1.4 2.7 54 54 A 51 ASP N A 20 LEU O 1.0 2.4 3.7 55 55 A 20 LEU O A 51 ASP H 1.0 1.4 2.7 56 56 A 54 LYS N A 3 THR O 1.0 2.4 3.7 57 57 A 3 THR O A 54 LYS H 1.0 1.4 2.7 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 1 MET C A 2 VAL N A 2 VAL CA A 2 VAL C 1.0 -121.27 -81.27 PHI 2 2 A 2 VAL N A 2 VAL CA A 2 VAL C A 3 THR N 1.0 109.26 149.26 PSI 3 3 A 2 VAL C A 3 THR N A 3 THR CA A 3 THR C 1.0 -121.27 -57.65 PHI 4 4 A 3 THR N A 3 THR CA A 3 THR C A 4 GLN N 1.0 103.96 143.96 PSI 5 5 A 3 THR C A 4 GLN N A 4 GLN CA A 4 GLN C 1.0 -124.18 -65.86 PHI 6 6 A 4 GLN N A 4 GLN CA A 4 GLN C A 5 PHE N 1.0 98.70 138.70 PSI 7 7 A 4 GLN C A 5 PHE N A 5 PHE CA A 5 PHE C 1.0 -111.26 -65.92 PHI 8 8 A 5 PHE N A 5 PHE CA A 5 PHE C A 6 LYS N 1.0 94.23 169.59 PSI 9 9 A 5 PHE C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -133.86 -80.38 PHI 10 10 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 THR N 1.0 -38.52 1.48 PSI 11 11 A 6 LYS C A 7 THR N A 7 THR CA A 7 THR C 1.0 -155.44 -115.44 PHI 12 12 A 7 THR N A 7 THR CA A 7 THR C A 8 ALA N 1.0 138.71 178.71 PSI 13 13 A 7 THR C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -83.54 -43.54 PHI 14 14 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 SER N 1.0 -55.93 -15.93 PSI 15 15 A 8 ALA C A 9 SER N A 9 SER CA A 9 SER C 1.0 -81.27 -41.27 PHI 16 16 A 9 SER N A 9 SER CA A 9 SER C A 10 GLU N 1.0 -59.46 -19.46 PSI 17 17 A 9 SER C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -87.94 -47.94 PHI 18 18 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 PHE N 1.0 -59.72 -19.72 PSI 19 19 A 10 GLU C A 11 PHE N A 11 PHE CA A 11 PHE C 1.0 -84.84 -44.84 PHI 20 20 A 11 PHE N A 11 PHE CA A 11 PHE C A 12 ASP N 1.0 -64.54 -24.54 PSI 21 21 A 11 PHE C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -81.04 -41.04 PHI 22 22 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 SER N 1.0 -60.69 -20.69 PSI 23 23 A 12 ASP C A 13 SER N A 13 SER CA A 13 SER C 1.0 -86.00 -46.00 PHI 24 24 A 13 SER N A 13 SER CA A 13 SER C A 14 ALA N 1.0 -59.26 -19.26 PSI 25 25 A 13 SER C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -85.39 -45.39 PHI 26 26 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 ILE N 1.0 -61.34 -21.34 PSI 27 27 A 14 ALA C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -90.98 -50.98 PHI 28 28 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 ALA N 1.0 -39.78 0.22 PSI 29 29 A 15 ILE C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -106.97 -66.97 PHI 30 30 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 GLN N 1.0 -27.14 12.86 PSI 31 31 A 16 ALA C A 17 GLN N A 17 GLN CA A 17 GLN C 1.0 -168.11 -45.73 PHI 32 32 A 17 GLN N A 17 GLN CA A 17 GLN C A 18 ASP N 1.0 125.85 176.69 PSI 33 33 A 18 ASP C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -174.37 -75.73 PHI 34 34 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 LEU N 1.0 125.04 178.84 PSI 35 35 A 20 LEU C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -135.38 -87.42 PHI 36 36 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 VAL N 1.0 108.50 148.50 PSI 37 37 A 21 VAL C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -127.29 -79.89 PHI 38 38 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 VAL N 1.0 103.86 143.86 PSI 39 39 A 22 VAL C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -130.01 -90.01 PHI 40 40 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 ALA N 1.0 104.70 144.70 PSI 41 41 A 23 VAL C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -126.68 -85.58 PHI 42 42 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 PHE N 1.0 97.71 137.71 PSI 43 43 A 24 ALA C A 25 PHE N A 25 PHE CA A 25 PHE C 1.0 -110.57 -70.57 PHI 44 44 A 25 PHE N A 25 PHE CA A 25 PHE C A 26 TYR N 1.0 101.22 141.22 PSI 45 45 A 25 PHE C A 26 TYR N A 26 TYR CA A 26 TYR C 1.0 -162.98 -122.98 PHI 46 46 A 26 TYR N A 26 TYR CA A 26 TYR C A 27 ALA N 1.0 148.34 188.34 PSI 47 47 A 26 TYR C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -170.21 -111.79 PHI 48 48 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 THR N 1.0 122.88 174.54 PSI 49 49 A 27 ALA C A 28 THR N A 28 THR CA A 28 THR C 1.0 -84.83 -44.83 PHI 50 50 A 28 THR N A 28 THR CA A 28 THR C A 29 TRP N 1.0 -43.35 -3.35 PSI 51 51 A 28 THR C A 29 TRP N A 29 TRP CA A 29 TRP C 1.0 -108.92 -68.92 PHI 52 52 A 29 TRP N A 29 TRP CA A 29 TRP C A 30 CYS N 1.0 -23.74 16.26 PSI 53 53 A 29 TRP C A 30 CYS N A 30 CYS CA A 30 CYS C 1.0 -113.60 -48.02 PHI 54 54 A 30 CYS N A 30 CYS CA A 30 CYS C A 31 GLY N 1.0 88.05 158.97 PSI 55 55 A 32 PRO C A 33 CYS N A 33 CYS CA A 33 CYS C 1.0 -79.86 -39.86 PHI 56 56 A 33 CYS N A 33 CYS CA A 33 CYS C A 34 LYS N 1.0 -57.71 -17.71 PSI 57 57 A 33 CYS C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -82.38 -42.38 PHI 58 58 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 MET N 1.0 -49.41 -9.41 PSI 59 59 A 34 LYS C A 35 MET N A 35 MET CA A 35 MET C 1.0 -88.91 -48.91 PHI 60 60 A 35 MET N A 35 MET CA A 35 MET C A 36 ILE N 1.0 -49.86 -9.86 PSI 61 61 A 35 MET C A 36 ILE N A 36 ILE CA A 36 ILE C 1.0 -115.47 -75.47 PHI 62 62 A 36 ILE N A 36 ILE CA A 36 ILE C A 37 ALA N 1.0 -22.29 17.71 PSI 63 63 A 36 ILE C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -76.52 -36.52 PHI 64 64 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 PRO N 1.0 -65.66 -25.66 PSI 65 65 A 37 ALA C A 38 PRO N A 38 PRO CA A 38 PRO C 1.0 -81.81 -41.81 PHI 66 66 A 38 PRO N A 38 PRO CA A 38 PRO C A 39 MET N 1.0 -57.35 -17.35 PSI 67 67 A 38 PRO C A 39 MET N A 39 MET CA A 39 MET C 1.0 -89.34 -49.34 PHI 68 68 A 39 MET N A 39 MET CA A 39 MET C A 40 ILE N 1.0 -62.13 -22.13 PSI 69 69 A 39 MET C A 40 ILE N A 40 ILE CA A 40 ILE C 1.0 -85.79 -45.79 PHI 70 70 A 40 ILE N A 40 ILE CA A 40 ILE C A 41 GLU N 1.0 -56.58 -16.58 PSI 71 71 A 40 ILE C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -83.98 -43.98 PHI 72 72 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 LYS N 1.0 -60.95 -20.95 PSI 73 73 A 41 GLU C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -85.11 -45.11 PHI 74 74 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 PHE N 1.0 -60.78 -20.78 PSI 75 75 A 42 LYS C A 43 PHE N A 43 PHE CA A 43 PHE C 1.0 -84.31 -44.31 PHI 76 76 A 43 PHE N A 43 PHE CA A 43 PHE C A 44 SER N 1.0 -63.18 -23.18 PSI 77 77 A 43 PHE C A 44 SER N A 44 SER CA A 44 SER C 1.0 -83.86 -43.86 PHI 78 78 A 44 SER N A 44 SER CA A 44 SER C A 45 GLU N 1.0 -55.75 -15.75 PSI 79 79 A 44 SER C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -91.07 -51.07 PHI 80 80 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 GLN N 1.0 -52.07 -12.07 PSI 81 81 A 45 GLU C A 46 GLN N A 46 GLN CA A 46 GLN C 1.0 -99.83 -59.83 PHI 82 82 A 46 GLN N A 46 GLN CA A 46 GLN C A 47 TYR N 1.0 -49.93 -9.93 PSI 83 83 A 46 GLN C A 47 TYR N A 47 TYR CA A 47 TYR C 1.0 -150.76 -110.76 PHI 84 84 A 47 TYR N A 47 TYR CA A 47 TYR C A 48 PRO N 1.0 49.64 89.64 PSI 85 85 A 47 TYR C A 48 PRO N A 48 PRO CA A 48 PRO C 1.0 -83.71 -43.71 PHI 86 86 A 48 PRO N A 48 PRO CA A 48 PRO C A 49 GLN N 1.0 -42.43 -2.43 PSI 87 87 A 48 PRO C A 49 GLN N A 49 GLN CA A 49 GLN C 1.0 -106.51 -66.51 PHI 88 88 A 49 GLN N A 49 GLN CA A 49 GLN C A 50 ALA N 1.0 -22.65 20.25 PSI 89 89 A 49 GLN C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -142.71 -102.71 PHI 90 90 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 ASP N 1.0 114.48 165.04 PSI 91 91 A 50 ALA C A 51 ASP N A 51 ASP CA A 51 ASP C 1.0 -151.62 -92.96 PHI 92 92 A 51 ASP N A 51 ASP CA A 51 ASP C A 52 PHE N 1.0 121.32 163.06 PSI 93 93 A 51 ASP C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -136.45 -80.85 PHI 94 94 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 TYR N 1.0 116.51 156.51 PSI 95 95 A 52 PHE C A 53 TYR N A 53 TYR CA A 53 TYR C 1.0 -150.55 -110.55 PHI 96 96 A 53 TYR N A 53 TYR CA A 53 TYR C A 54 LYS N 1.0 137.15 177.15 PSI 97 97 A 53 TYR C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -148.52 -108.52 PHI 98 98 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 LEU N 1.0 119.49 164.19 PSI 99 99 A 54 LYS C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -159.02 -116.18 PHI 100 100 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 ASP N 1.0 110.20 151.92 PSI 101 101 A 55 LEU C A 56 ASP N A 56 ASP CA A 56 ASP C 1.0 -106.97 -66.97 PHI 102 102 A 56 ASP N A 56 ASP CA A 56 ASP C A 57 VAL N 1.0 89.86 129.86 PSI 103 103 A 56 ASP C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -81.13 -41.13 PHI 104 104 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 ASP N 1.0 -47.14 -7.14 PSI 105 105 A 57 VAL C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -92.22 -52.22 PHI 106 106 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 GLU N 1.0 -49.44 1.80 PSI 107 107 A 58 ASP C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -111.62 -59.36 PHI 108 108 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 LEU N 1.0 -41.66 5.62 PSI 109 109 A 60 LEU C A 61 GLY N A 61 GLY CA A 61 GLY C 1.0 -78.02 -38.02 PHI 110 110 A 61 GLY N A 61 GLY CA A 61 GLY C A 62 ASP N 1.0 -61.28 -21.28 PSI 111 111 A 61 GLY C A 62 ASP N A 62 ASP CA A 62 ASP C 1.0 -83.46 -43.46 PHI 112 112 A 62 ASP N A 62 ASP CA A 62 ASP C A 63 VAL N 1.0 -60.87 -20.87 PSI 113 113 A 62 ASP C A 63 VAL N A 63 VAL CA A 63 VAL C 1.0 -87.39 -47.39 PHI 114 114 A 63 VAL N A 63 VAL CA A 63 VAL C A 64 ALA N 1.0 -62.95 -22.95 PSI 115 115 A 63 VAL C A 64 ALA N A 64 ALA CA A 64 ALA C 1.0 -84.36 -44.36 PHI 116 116 A 64 ALA N A 64 ALA CA A 64 ALA C A 65 GLN N 1.0 -62.25 -22.25 PSI 117 117 A 64 ALA C A 65 GLN N A 65 GLN CA A 65 GLN C 1.0 -85.16 -45.16 PHI 118 118 A 65 GLN N A 65 GLN CA A 65 GLN C A 66 LYS N 1.0 -59.85 -19.85 PSI 119 119 A 65 GLN C A 66 LYS N A 66 LYS CA A 66 LYS C 1.0 -86.04 -46.04 PHI 120 120 A 66 LYS N A 66 LYS CA A 66 LYS C A 67 ASN N 1.0 -50.08 -10.08 PSI 121 121 A 66 LYS C A 67 ASN N A 67 ASN CA A 67 ASN C 1.0 -118.24 -78.24 PHI 122 122 A 67 ASN N A 67 ASN CA A 67 ASN C A 68 GLU N 1.0 -12.40 27.60 PSI 123 123 A 67 ASN C A 68 GLU N A 68 GLU CA A 68 GLU C 1.0 38.59 78.59 PHI 124 124 A 68 GLU N A 68 GLU CA A 68 GLU C A 69 VAL N 1.0 18.26 58.26 PSI 125 125 A 68 GLU C A 69 VAL N A 69 VAL CA A 69 VAL C 1.0 -105.94 -61.86 PHI 126 126 A 69 VAL N A 69 VAL CA A 69 VAL C A 70 SER N 1.0 108.21 148.21 PSI 127 127 A 70 SER C A 71 ALA N A 71 ALA CA A 71 ALA C 1.0 -167.86 -80.36 PHI 128 128 A 71 ALA N A 71 ALA CA A 71 ALA C A 72 MET N 1.0 116.48 166.04 PSI 129 129 A 71 ALA C A 72 MET N A 72 MET CA A 72 MET C 1.0 -150.99 -110.99 PHI 130 130 A 72 MET N A 72 MET CA A 72 MET C A 73 PRO N 1.0 116.09 173.31 PSI 131 131 A 72 MET C A 73 PRO N A 73 PRO CA A 73 PRO C 1.0 -92.77 -52.77 PHI 132 132 A 73 PRO N A 73 PRO CA A 73 PRO C A 74 THR N 1.0 130.35 175.17 PSI 133 133 A 73 PRO C A 74 THR N A 74 THR CA A 74 THR C 1.0 -154.06 -113.70 PHI 134 134 A 74 THR N A 74 THR CA A 74 THR C A 75 LEU N 1.0 116.78 156.78 PSI 135 135 A 74 THR C A 75 LEU N A 75 LEU CA A 75 LEU C 1.0 -131.26 -91.26 PHI 136 136 A 75 LEU N A 75 LEU CA A 75 LEU C A 76 LEU N 1.0 106.01 146.01 PSI 137 137 A 75 LEU C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -146.86 -104.32 PHI 138 138 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 LEU N 1.0 114.05 154.05 PSI 139 139 A 76 LEU C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -123.38 -83.38 PHI 140 140 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 PHE N 1.0 106.63 146.63 PSI 141 141 A 77 LEU C A 78 PHE N A 78 PHE CA A 78 PHE C 1.0 -138.58 -98.58 PHI 142 142 A 78 PHE N A 78 PHE CA A 78 PHE C A 79 LYS N 1.0 124.97 164.97 PSI 143 143 A 78 PHE C A 79 LYS N A 79 LYS CA A 79 LYS C 1.0 -161.90 -121.90 PHI 144 144 A 79 LYS N A 79 LYS CA A 79 LYS C A 80 ASN N 1.0 108.55 148.55 PSI 145 145 A 79 LYS C A 80 ASN N A 80 ASN CA A 80 ASN C 1.0 38.01 78.01 PHI 146 146 A 80 ASN N A 80 ASN CA A 80 ASN C A 81 GLY N 1.0 15.22 55.22 PSI 147 147 A 80 ASN C A 81 GLY N A 81 GLY CA A 81 GLY C 1.0 64.05 104.05 PHI 148 148 A 81 GLY N A 81 GLY CA A 81 GLY C A 82 LYS N 1.0 -12.17 28.11 PSI 149 149 A 81 GLY C A 82 LYS N A 82 LYS CA A 82 LYS C 1.0 -143.70 -103.70 PHI 150 150 A 82 LYS N A 82 LYS CA A 82 LYS C A 83 GLU N 1.0 120.10 160.10 PSI 151 151 A 84 VAL C A 85 ALA N A 85 ALA CA A 85 ALA C 1.0 -181.60 -141.60 PHI 152 152 A 85 ALA N A 85 ALA CA A 85 ALA C A 86 LYS N 1.0 135.17 176.59 PSI 153 153 A 85 ALA C A 86 LYS N A 86 LYS CA A 86 LYS C 1.0 -154.85 -105.17 PHI 154 154 A 86 LYS N A 86 LYS CA A 86 LYS C A 87 VAL N 1.0 108.73 151.05 PSI 155 155 A 86 LYS C A 87 VAL N A 87 VAL CA A 87 VAL C 1.0 -130.76 -90.76 PHI 156 156 A 87 VAL N A 87 VAL CA A 87 VAL C A 88 VAL N 1.0 104.14 144.14 PSI 157 157 A 90 ALA C A 91 ASN N A 91 ASN CA A 91 ASN C 1.0 -115.95 -54.53 PHI 158 158 A 91 ASN N A 91 ASN CA A 91 ASN C A 92 PRO N 1.0 91.64 154.24 PSI 159 159 A 92 PRO C A 93 ALA N A 93 ALA CA A 93 ALA C 1.0 -83.70 -43.70 PHI 160 160 A 93 ALA N A 93 ALA CA A 93 ALA C A 94 ALA N 1.0 -58.51 -18.51 PSI 161 161 A 93 ALA C A 94 ALA N A 94 ALA CA A 94 ALA C 1.0 -87.30 -47.30 PHI 162 162 A 94 ALA N A 94 ALA CA A 94 ALA C A 95 ILE N 1.0 -58.19 -18.19 PSI 163 163 A 94 ALA C A 95 ILE N A 95 ILE CA A 95 ILE C 1.0 -87.21 -47.21 PHI 164 164 A 95 ILE N A 95 ILE CA A 95 ILE C A 96 LYS N 1.0 -64.61 -24.61 PSI 165 165 A 95 ILE C A 96 LYS N A 96 LYS CA A 96 LYS C 1.0 -81.15 -41.15 PHI 166 166 A 96 LYS N A 96 LYS CA A 96 LYS C A 97 GLN N 1.0 -63.54 -23.54 PSI 167 167 A 96 LYS C A 97 GLN N A 97 GLN CA A 97 GLN C 1.0 -83.89 -43.89 PHI 168 168 A 97 GLN N A 97 GLN CA A 97 GLN C A 98 ALA N 1.0 -62.48 -22.48 PSI 169 169 A 97 GLN C A 98 ALA N A 98 ALA CA A 98 ALA C 1.0 -85.97 -45.97 PHI 170 170 A 98 ALA N A 98 ALA CA A 98 ALA C A 99 ILE N 1.0 -60.65 -20.65 PSI 171 171 A 98 ALA C A 99 ILE N A 99 ILE CA A 99 ILE C 1.0 -84.64 -44.64 PHI 172 172 A 99 ILE N A 99 ILE CA A 99 ILE C A 100 ALA N 1.0 -66.86 -26.86 PSI 173 173 A 99 ILE C A 100 ALA N A 100 ALA CA A 100 ALA C 1.0 -84.73 -44.73 PHI 174 174 A 100 ALA N A 100 ALA CA A 100 ALA C A 101 ALA N 1.0 -58.13 -18.13 PSI 175 175 A 100 ALA C A 101 ALA N A 101 ALA CA A 101 ALA C 1.0 -89.14 -49.14 PHI 176 176 A 101 ALA N A 101 ALA CA A 101 ALA C A 102 ASN N 1.0 -43.69 -3.69 PSI 177 177 A 101 ALA C A 102 ASN N A 102 ASN CA A 102 ASN C 1.0 -126.14 -79.08 PHI 178 178 A 102 ASN N A 102 ASN CA A 102 ASN C A 103 ALA N 1.0 -26.13 28.77 PSI stop_ save_