data_nef_c18587_2m0a 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 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 GLY start . false 2 A 2 LYS middle . . 3 A 3 LYS middle . . 4 A 4 VAL middle . . 5 A 5 GLU middle . . 6 A 6 PHE middle . . 7 A 7 ASN middle . . 8 A 8 ASP middle . . 9 A 9 LYS middle . . 10 A 10 PRO middle . false 11 A 11 LYS middle . . 12 A 12 VAL middle . . 13 A 13 ARG middle . . 14 A 14 LYS middle . . 15 A 15 ILE middle . . 16 A 16 PRO middle . false 17 A 17 SER middle . . 18 A 18 THR middle . . 19 A 19 ARG middle . . 20 A 20 LYS middle . . 21 A 21 ILE middle . . 22 A 22 LYS middle . . 23 A 23 ILE middle . . 24 A 24 THR middle . . 25 A 25 PHE middle . . 26 A 26 ALA middle . . 27 A 27 LEU middle . . 28 A 28 ASP middle . . 29 A 29 ALA middle . . 30 A 30 THR middle . . 31 A 31 PHE middle . . 32 A 32 ASP middle . . 33 A 33 SER middle . . 34 A 34 VAL middle . . 35 A 35 LEU middle . . 36 A 36 SER middle . . 37 A 37 LYS middle . . 38 A 38 ALA middle . . 39 A 39 CYS middle . . 40 A 40 SER middle . . 41 A 41 GLU middle . . 42 A 42 PHE middle . . 43 A 43 GLU middle . . 44 A 44 VAL middle . . 45 A 45 ASP middle . . 46 A 46 LYS middle . . 47 A 47 ASP middle . . 48 A 48 VAL middle . . 49 A 49 THR middle . . 50 A 50 LEU middle . . 51 A 51 ASP middle . . 52 A 52 GLU middle . . 53 A 53 LEU middle . . 54 A 54 LEU middle . . 55 A 55 ASP middle . . 56 A 56 VAL middle . . 57 A 57 VAL middle . . 58 A 58 LEU middle . . 59 A 59 ASP middle . . 60 A 60 ALA middle . . 61 A 61 VAL middle . . 62 A 62 GLU middle . . 63 A 63 SER middle . . 64 A 64 THR middle . . 65 A 65 LEU middle . . 66 A 66 SER middle . . 67 A 67 PRO middle . false 68 A 68 CYS middle . . 69 A 69 LYS middle . . 70 A 70 GLU middle . . 71 A 71 HIS middle . . 72 A 72 ASP middle . . 73 A 73 VAL middle . . 74 A 74 ILE middle . . 75 A 75 GLY middle . false 76 A 76 THR middle . . 77 A 77 LYS middle . . 78 A 78 VAL middle . . 79 A 79 CYS middle . . 80 A 80 ALA middle . . 81 A 81 LEU middle . . 82 A 82 LEU middle . . 83 A 83 ASP middle . . 84 A 84 ARG middle . . 85 A 85 LEU middle . . 86 A 86 ALA middle . . 87 A 87 GLY middle . false 88 A 88 ASP middle . . 89 A 89 TYR middle . . 90 A 90 VAL middle . . 91 A 91 TYR middle . . 92 A 92 LEU middle . . 93 A 93 PHE middle . . 94 A 94 ASP middle . . 95 A 95 GLU middle . . 96 A 96 GLY middle . false 97 A 97 GLY middle . false 98 A 98 ASP middle . . 99 A 99 GLU middle . . 100 A 100 VAL middle . . 101 A 101 ILE middle . . 102 A 102 ALA middle . . 103 A 103 PRO middle . false 104 A 104 ARG middle . . 105 A 105 MET middle . . 106 A 106 TYR middle . . 107 A 107 CYS middle . . 108 A 108 SER middle . . 109 A 109 PHE middle . . 110 A 110 SER middle . . 111 A 111 ALA middle . . 112 A 112 PRO middle . false 113 A 113 ASP middle . . 114 A 114 ASP 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 GLY HAx H 1 3.998 0.015 A 1 GLY HAy H 1 3.998 0.015 A 1 GLY CA C 13 45.008 0.092 A 2 LYS H H 1 8.188 0.004 A 2 LYS HA H 1 4.319 0.008 A 2 LYS HBy H 1 1.781 0.018 A 2 LYS HBx H 1 1.744 0.012 A 2 LYS HDx H 1 1.674 0.007 A 2 LYS HDy H 1 1.674 0.007 A 2 LYS HEx H 1 2.979 0.007 A 2 LYS HEy H 1 2.979 0.007 A 2 LYS HGy H 1 1.42 0.011 A 2 LYS HGx H 1 1.351 0.006 A 2 LYS CA C 13 56.273 0.113 A 2 LYS CB C 13 33.143 0.13 A 2 LYS CD C 13 29.02 0.126 A 2 LYS CE C 13 41.891 0.102 A 2 LYS CG C 13 24.647 0.095 A 2 LYS N N 15 121.068 0.037 A 3 LYS H H 1 8.516 0.007 A 3 LYS HA H 1 4.325 0.009 A 3 LYS HBx H 1 1.765 0.007 A 3 LYS HBy H 1 1.765 0.007 A 3 LYS HGx H 1 1.405 0.006 A 3 LYS HGy H 1 1.405 0.006 A 3 LYS C C 13 176.427 0.000 A 3 LYS CA C 13 56.287 0.059 A 3 LYS CB C 13 33.119 0.09 A 3 LYS N N 15 123.999 0.042 A 4 VAL H H 1 8.198 0.007 A 4 VAL HA H 1 4.055 0.005 A 4 VAL HB H 1 1.988 0.007 A 4 VAL HG1% H 1 0.893 0.01 A 4 VAL HG2% H 1 0.839 0.012 A 4 VAL C C 13 175.77 0.000 A 4 VAL CA C 13 62.209 0.087 A 4 VAL CB C 13 32.799 0.088 A 4 VAL CGx C 13 20.697 0.138 A 4 VAL N N 15 122.409 0.062 A 5 GLU H H 1 8.415 0.003 A 5 GLU HA H 1 4.3 0.006 A 5 GLU HBx H 1 1.938 0.027 A 5 GLU HBy H 1 1.938 0.027 A 5 GLU HGy H 1 2.179 0.008 A 5 GLU HGx H 1 2.127 0.013 A 5 GLU C C 13 175.916 0.000 A 5 GLU CA C 13 55.986 0.125 A 5 GLU CB C 13 30.69 0.095 A 5 GLU CG C 13 36.133 0.11 A 5 GLU N N 15 124.994 0.032 A 6 PHE H H 1 8.366 0.004 A 6 PHE HA H 1 4.607 0.004 A 6 PHE HBy H 1 3.13 0.01 A 6 PHE HBx H 1 3.021 0.011 A 6 PHE HDx H 1 7.247 0.006 A 6 PHE HDy H 1 7.247 0.006 A 6 PHE HEx H 1 7.327 0.012 A 6 PHE HEy H 1 7.327 0.012 A 6 PHE C C 13 175.464 0.000 A 6 PHE CA C 13 57.692 0.109 A 6 PHE CB C 13 39.594 0.034 A 6 PHE CDx C 13 131.584 0.023 A 6 PHE CEx C 13 131.498 0.005 A 6 PHE N N 15 121.614 0.036 A 7 ASN H H 1 8.419 0.003 A 7 ASN HA H 1 4.679 0.013 A 7 ASN HBy H 1 2.793 0.007 A 7 ASN HBx H 1 2.69 0.004 A 7 ASN HD2y H 1 7.591 0.001 A 7 ASN HD2x H 1 6.908 0.000 A 7 ASN C C 13 174.516 0.000 A 7 ASN CA C 13 53.147 0.094 A 7 ASN CB C 13 39.079 0.089 A 7 ASN N N 15 120.662 0.051 A 7 ASN ND2 N 15 112.821 0.005 A 8 ASP H H 1 8.227 0.003 A 8 ASP HA H 1 4.549 0.008 A 8 ASP HBx H 1 2.637 0.005 A 8 ASP HBy H 1 2.637 0.005 A 8 ASP C C 13 175.759 0.000 A 8 ASP CA C 13 54.004 0.133 A 8 ASP CB C 13 41.113 0.057 A 8 ASP N N 15 120.859 0.017 A 9 LYS H H 1 8.063 0.003 A 9 LYS HA H 1 4.577 0.005 A 9 LYS HBy H 1 1.812 0.006 A 9 LYS HBx H 1 1.726 0.012 A 9 LYS HEx H 1 2.992 0.005 A 9 LYS HEy H 1 2.992 0.005 A 9 LYS HGy H 1 1.479 0.009 A 9 LYS HGx H 1 1.443 0.01 A 9 LYS CA C 13 54.233 0.062 A 9 LYS CB C 13 32.362 0.084 A 9 LYS N N 15 122.047 0.028 A 10 PRO HA H 1 4.398 0.007 A 10 PRO HBy H 1 2.29 0.005 A 10 PRO HBx H 1 1.857 0.004 A 10 PRO HDy H 1 3.785 0.005 A 10 PRO HDx H 1 3.607 0.005 A 10 PRO HGx H 1 2.004 0.005 A 10 PRO HGy H 1 2.004 0.005 A 10 PRO C C 13 176.943 0.000 A 10 PRO CA C 13 63.156 0.079 A 10 PRO CB C 13 32.134 0.063 A 10 PRO CD C 13 50.62 0.044 A 10 PRO CG C 13 27.445 0.09 A 11 LYS H H 1 8.472 0.004 A 11 LYS HA H 1 4.294 0.006 A 11 LYS HBy H 1 1.772 0.002 A 11 LYS HBx H 1 1.735 0.003 A 11 LYS C C 13 176.58 0.000 A 11 LYS CA C 13 56.343 0.142 A 11 LYS CB C 13 32.998 0.086 A 11 LYS N N 15 122.092 0.032 A 12 VAL H H 1 8.09 0.006 A 12 VAL HA H 1 4.124 0.013 A 12 VAL HB H 1 2.031 0.003 A 12 VAL HG1% H 1 0.923 0.016 A 12 VAL HG2% H 1 0.923 0.016 A 12 VAL C C 13 175.806 0.000 A 12 VAL CA C 13 61.998 0.143 A 12 VAL CB C 13 32.874 0.099 A 12 VAL CGx C 13 20.911 0.000 A 12 VAL N N 15 121.437 0.03 A 13 ARG H H 1 8.462 0.004 A 13 ARG HA H 1 4.365 0.013 A 13 ARG HBx H 1 1.732 0.012 A 13 ARG HBy H 1 1.799 0.002 A 13 ARG HDx H 1 3.181 0.007 A 13 ARG HDy H 1 3.181 0.007 A 13 ARG HGy H 1 1.604 0.005 A 13 ARG HGx H 1 1.574 0.000 A 13 ARG C C 13 175.772 0.000 A 13 ARG CA C 13 55.739 0.148 A 13 ARG CB C 13 31.189 0.035 A 13 ARG CD C 13 43.261 0.078 A 13 ARG CG C 13 27.53 0.000 A 13 ARG N N 15 125.77 0.045 A 14 LYS H H 1 8.446 0.007 A 14 LYS HA H 1 4.31 0.007 A 14 LYS HBx H 1 1.741 0.006 A 14 LYS HBy H 1 1.741 0.006 A 14 LYS HGx H 1 1.376 0.000 A 14 LYS HGy H 1 1.376 0.000 A 14 LYS C C 13 176.093 0.000 A 14 LYS CA C 13 56.162 0.148 A 14 LYS CB C 13 33.182 0.034 A 14 LYS CG C 13 24.782 0.013 A 14 LYS N N 15 124.194 0.058 A 15 ILE H H 1 8.285 0.004 A 15 ILE HA H 1 4.452 0.004 A 15 ILE HB H 1 1.849 0.009 A 15 ILE HD1% H 1 0.854 0.007 A 15 ILE HG1y H 1 1.498 0.007 A 15 ILE HG1x H 1 1.169 0.006 A 15 ILE HG2% H 1 0.941 0.008 A 15 ILE CA C 13 58.434 0.07 A 15 ILE CB C 13 38.526 0.042 A 15 ILE CD1 C 13 12.629 0.03 A 15 ILE CG1 C 13 27.056 0.03 A 15 ILE CG2 C 13 17.054 0.034 A 15 ILE N N 15 124.894 0.047 A 16 PRO HA H 1 4.478 0.005 A 16 PRO HBy H 1 2.354 0.006 A 16 PRO HBx H 1 2.009 0.006 A 16 PRO HDy H 1 3.916 0.006 A 16 PRO HDx H 1 3.717 0.005 A 16 PRO HGx H 1 2.072 0.026 A 16 PRO HGy H 1 2.072 0.026 A 16 PRO C C 13 176.846 0.000 A 16 PRO CA C 13 63.351 0.082 A 16 PRO CB C 13 32.319 0.065 A 16 PRO CD C 13 51.181 0.02 A 16 PRO CG C 13 27.47 0.027 A 17 SER H H 1 8.636 0.005 A 17 SER HA H 1 4.535 0.005 A 17 SER HBy H 1 3.944 0.011 A 17 SER HBx H 1 3.899 0.006 A 17 SER C C 13 174.392 0.000 A 17 SER CA C 13 58.485 0.045 A 17 SER CB C 13 63.802 0.113 A 17 SER N N 15 116.664 0.045 A 18 THR H H 1 7.821 0.008 A 18 THR HA H 1 4.998 0.01 A 18 THR HB H 1 4.138 0.008 A 18 THR HG2% H 1 1.022 0.009 A 18 THR C C 13 174 0.000 A 18 THR CA C 13 59.894 0.108 A 18 THR CB C 13 71.828 0.163 A 18 THR CG2 C 13 21.653 0.048 A 18 THR N N 15 112.528 0.057 A 19 ARG H H 1 9.322 0.008 A 19 ARG HA H 1 4.756 0.009 A 19 ARG HBy H 1 1.951 0.011 A 19 ARG HBx H 1 1.607 0.011 A 19 ARG HDx H 1 3.037 0.009 A 19 ARG HDy H 1 3.037 0.009 A 19 ARG HGx H 1 1.266 0.006 A 19 ARG HGy H 1 1.266 0.006 A 19 ARG C C 13 173.422 0.000 A 19 ARG CA C 13 54.164 0.101 A 19 ARG CB C 13 33.368 0.074 A 19 ARG CD C 13 43.691 0.021 A 19 ARG N N 15 118.463 0.068 A 20 LYS H H 1 8.398 0.007 A 20 LYS HA H 1 5.259 0.008 A 20 LYS HBx H 1 1.723 0.015 A 20 LYS HBy H 1 1.723 0.015 A 20 LYS HDx H 1 1.606 0.01 A 20 LYS HDy H 1 1.606 0.01 A 20 LYS HEx H 1 2.876 0.006 A 20 LYS HEy H 1 2.876 0.006 A 20 LYS HGy H 1 1.42 0.002 A 20 LYS HGx H 1 1.23 0.015 A 20 LYS C C 13 176.558 0.000 A 20 LYS CA C 13 55.187 0.105 A 20 LYS CB C 13 33.843 0.069 A 20 LYS CD C 13 38.878 0.051 A 20 LYS CE C 13 43.431 0.009 A 20 LYS CG C 13 25.327 0.003 A 20 LYS N N 15 121.174 0.068 A 21 ILE H H 1 9.129 0.008 A 21 ILE HA H 1 4.594 0.014 A 21 ILE HB H 1 1.583 0.008 A 21 ILE HD1% H 1 0.33 0.002 A 21 ILE HG1y H 1 1.211 0.01 A 21 ILE HG1x H 1 1.147 0.008 A 21 ILE HG2% H 1 0.776 0.013 A 21 ILE C C 13 174.231 0.000 A 21 ILE CA C 13 60.027 0.086 A 21 ILE CB C 13 42.119 0.1 A 21 ILE CD1 C 13 11.913 0.01 A 21 ILE CG2 C 13 17.212 0.024 A 21 ILE N N 15 126.182 0.082 A 22 LYS H H 1 8.42 0.005 A 22 LYS HA H 1 5.332 0.005 A 22 LYS HBy H 1 1.903 0.009 A 22 LYS HBx H 1 1.71 0.01 A 22 LYS HDx H 1 1.613 0.006 A 22 LYS HDy H 1 1.613 0.006 A 22 LYS HEx H 1 2.931 0.012 A 22 LYS HEy H 1 2.931 0.012 A 22 LYS HGx H 1 1.329 0.006 A 22 LYS HGy H 1 1.329 0.006 A 22 LYS C C 13 175.372 0.000 A 22 LYS CA C 13 54.128 0.076 A 22 LYS CB C 13 34.923 0.092 A 22 LYS CE C 13 42.093 0.025 A 22 LYS CG C 13 25.057 0.153 A 22 LYS N N 15 127.9 0.033 A 23 ILE H H 1 9.443 0.007 A 23 ILE HA H 1 4.456 0.008 A 23 ILE HB H 1 1.52 0.000 A 23 ILE HD1% H 1 0.609 0.001 A 23 ILE HG1x H 1 1.201 0.005 A 23 ILE HG1y H 1 1.593 0.000 A 23 ILE HG2% H 1 0.47 0.017 A 23 ILE C C 13 175.921 0.000 A 23 ILE CA C 13 57.879 0.113 A 23 ILE CB C 13 38.546 0.027 A 23 ILE CD1 C 13 14.666 0.003 A 23 ILE CG2 C 13 21.605 0.000 A 23 ILE N N 15 128.128 0.08 A 24 THR H H 1 8.437 0.004 A 24 THR HA H 1 3.951 0.001 A 24 THR HB H 1 4.345 0.002 A 24 THR C C 13 173.305 0.000 A 24 THR CA C 13 62.132 0.071 A 24 THR CB C 13 69.339 0.026 A 24 THR N N 15 123.415 0.088 A 25 PHE H H 1 8.335 0.005 A 25 PHE HA H 1 4.351 0.009 A 25 PHE HBy H 1 3.038 0.009 A 25 PHE HBx H 1 2.926 0.019 A 25 PHE HDx H 1 7.096 0.021 A 25 PHE HDy H 1 7.096 0.021 A 25 PHE HEx H 1 7.31 0.008 A 25 PHE HEy H 1 7.31 0.008 A 25 PHE C C 13 174.352 0.000 A 25 PHE CA C 13 60.21 0.113 A 25 PHE CB C 13 40.459 0.086 A 25 PHE CDx C 13 131.335 0.09 A 25 PHE CEx C 13 132.781 0.032 A 25 PHE N N 15 125.985 0.06 A 26 ALA H H 1 8.893 0.012 A 26 ALA HA H 1 4.922 0.008 A 26 ALA HB% H 1 1.316 0.008 A 26 ALA C C 13 176.044 0.000 A 26 ALA CA C 13 51.363 0.123 A 26 ALA CB C 13 18.11 0.093 A 26 ALA N N 15 130.571 0.024 A 27 LEU H H 1 10.457 0.007 A 27 LEU HA H 1 4.674 0.008 A 27 LEU HBy H 1 1.751 0.016 A 27 LEU HBx H 1 1.407 0.016 A 27 LEU HD1% H 1 0.086 0.006 A 27 LEU HD2% H 1 0.746 0.008 A 27 LEU HG H 1 1.797 0.018 A 27 LEU C C 13 177.201 0.000 A 27 LEU CA C 13 55.853 0.148 A 27 LEU CB C 13 45.285 0.11 A 27 LEU CDx C 13 21.265 0.017 A 27 LEU CDy C 13 26.13 0.016 A 27 LEU N N 15 124.914 0.061 A 28 ASP H H 1 9.018 0.007 A 28 ASP HA H 1 4.682 0.009 A 28 ASP HBy H 1 2.995 0.008 A 28 ASP HBx H 1 2.618 0.012 A 28 ASP C C 13 175.447 0.000 A 28 ASP CA C 13 54.686 0.085 A 28 ASP CB C 13 45.596 0.054 A 28 ASP N N 15 119.44 0.056 A 29 ALA H H 1 9.214 0.006 A 29 ALA HA H 1 4.226 0.005 A 29 ALA HB% H 1 1.541 0.006 A 29 ALA C C 13 179.194 0.000 A 29 ALA CA C 13 55.328 0.109 A 29 ALA CB C 13 18.385 0.123 A 29 ALA N N 15 131.247 0.051 A 30 THR H H 1 8.865 0.006 A 30 THR HA H 1 3.815 0.011 A 30 THR HB H 1 3.479 0.009 A 30 THR HG2% H 1 0.407 0.007 A 30 THR C C 13 175.033 0.000 A 30 THR CA C 13 65.889 0.09 A 30 THR CB C 13 68.184 0.083 A 30 THR CG2 C 13 21.587 0.019 A 30 THR N N 15 115.277 0.07 A 31 PHE H H 1 7.885 0.005 A 31 PHE HA H 1 4.719 0.011 A 31 PHE HBy H 1 3.195 0.011 A 31 PHE HBx H 1 2.407 0.013 A 31 PHE HDx H 1 7.047 0.015 A 31 PHE HDy H 1 7.047 0.015 A 31 PHE HEx H 1 7.335 0.007 A 31 PHE HEy H 1 7.335 0.007 A 31 PHE C C 13 176.215 0.000 A 31 PHE CA C 13 58.891 0.084 A 31 PHE CB C 13 41.772 0.053 A 31 PHE CDx C 13 131.894 0.051 A 31 PHE CEx C 13 129.55 0.076 A 31 PHE N N 15 115.406 0.042 A 32 ASP H H 1 8.732 0.005 A 32 ASP HA H 1 4.405 0.014 A 32 ASP HBx H 1 1.728 0.000 A 32 ASP HBy H 1 1.835 0.004 A 32 ASP C C 13 178.787 0.000 A 32 ASP CA C 13 59.631 0.142 A 32 ASP CB C 13 40.627 0.076 A 32 ASP N N 15 124.151 0.07 A 33 SER H H 1 8.685 0.003 A 33 SER HA H 1 4.208 0.000 A 33 SER HBy H 1 4.024 0.018 A 33 SER HBx H 1 3.954 0.002 A 33 SER C C 13 177.232 0.000 A 33 SER CA C 13 61.503 0.031 A 33 SER CB C 13 62.776 0.056 A 33 SER N N 15 113.948 0.045 A 34 VAL H H 1 7.377 0.006 A 34 VAL HA H 1 3.794 0.01 A 34 VAL HB H 1 2.364 0.003 A 34 VAL HG1% H 1 1.136 0.008 A 34 VAL HG2% H 1 0.968 0.012 A 34 VAL C C 13 179.048 0.000 A 34 VAL CA C 13 65.759 0.069 A 34 VAL CB C 13 32.222 0.106 A 34 VAL CGy C 13 22.011 0.028 A 34 VAL CGx C 13 20.26 0.049 A 34 VAL N N 15 124.03 0.029 A 35 LEU H H 1 8.249 0.007 A 35 LEU HA H 1 3.978 0.011 A 35 LEU HBx H 1 1.397 0.006 A 35 LEU HBy H 1 1.397 0.006 A 35 LEU HD1% H 1 0.42 0.009 A 35 LEU HD2% H 1 0.42 0.009 A 35 LEU C C 13 178.556 0.000 A 35 LEU CA C 13 57.136 0.04 A 35 LEU CB C 13 40.703 0.058 A 35 LEU N N 15 120.128 0.053 A 36 SER H H 1 8.604 0.006 A 36 SER HBy H 1 4.318 0.008 A 36 SER HBx H 1 4.271 0.002 A 36 SER C C 13 175.944 0.000 A 36 SER CA C 13 62.009 0.074 A 36 SER CB C 13 63.321 0.049 A 36 SER N N 15 113.369 0.085 A 37 LYS H H 1 7.386 0.004 A 37 LYS HA H 1 4.344 0.007 A 37 LYS HBy H 1 1.942 0.006 A 37 LYS HBx H 1 1.921 0.004 A 37 LYS HDy H 1 1.59 0.01 A 37 LYS HDx H 1 1.576 0.000 A 37 LYS HEx H 1 3.178 0.003 A 37 LYS HEy H 1 3.178 0.003 A 37 LYS HGx H 1 1.497 0.003 A 37 LYS HGy H 1 1.497 0.003 A 37 LYS C C 13 177.903 0.000 A 37 LYS CA C 13 57.865 0.149 A 37 LYS CB C 13 33.279 0.123 A 37 LYS CD C 13 27.213 0.023 A 37 LYS N N 15 118.469 0.042 A 38 ALA H H 1 8.037 0.004 A 38 ALA HA H 1 4.418 0.006 A 38 ALA HB% H 1 1.508 0.007 A 38 ALA C C 13 179.112 0.000 A 38 ALA CA C 13 54.353 0.099 A 38 ALA CB C 13 21.626 0.138 A 38 ALA N N 15 120.146 0.054 A 39 CYS H H 1 8.834 0.005 A 39 CYS HA H 1 4.919 0.006 A 39 CYS HBy H 1 3.11 0.008 A 39 CYS HBx H 1 2.628 0.007 A 39 CYS HG H 1 2.929 0.000 A 39 CYS C C 13 171.787 0.000 A 39 CYS CA C 13 55.144 0.105 A 39 CYS CB C 13 27.94 0.052 A 39 CYS N N 15 115.599 0.04 A 40 SER H H 1 7.852 0.003 A 40 SER HA H 1 4.898 0.012 A 40 SER HBx H 1 4.153 0.007 A 40 SER HBy H 1 4.153 0.007 A 40 SER C C 13 174.413 0.000 A 40 SER CA C 13 58.457 0.132 A 40 SER CB C 13 65.941 0.117 A 40 SER N N 15 109.028 0.043 A 41 GLU H H 1 7.431 0.005 A 41 GLU HA H 1 5.162 0.013 A 41 GLU HBy H 1 2.002 0.007 A 41 GLU HBx H 1 1.783 0.012 A 41 GLU HGx H 1 2.203 0.004 A 41 GLU HGy H 1 2.203 0.004 A 41 GLU C C 13 175.074 0.000 A 41 GLU CA C 13 55.505 0.142 A 41 GLU CB C 13 31.949 0.124 A 41 GLU CG C 13 36.946 0.02 A 41 GLU N N 15 120.288 0.055 A 42 PHE H H 1 8.945 0.004 A 42 PHE HA H 1 4.566 0.013 A 42 PHE HBx H 1 2.616 0.000 A 42 PHE HBy H 1 2.616 0.000 A 42 PHE HDx H 1 7.031 0.039 A 42 PHE HDy H 1 7.031 0.039 A 42 PHE C C 13 173.934 0.000 A 42 PHE CA C 13 57.291 0.11 A 42 PHE CB C 13 42.591 0.073 A 42 PHE CDx C 13 131.595 0.016 A 42 PHE N N 15 122.891 0.052 A 43 GLU H H 1 8.864 0.005 A 43 GLU HA H 1 5.175 0.003 A 43 GLU HBx H 1 2 0.014 A 43 GLU HBy H 1 2 0.014 A 43 GLU C C 13 175.699 0.000 A 43 GLU CA C 13 55.47 0.109 A 43 GLU CB C 13 30.629 0.114 A 43 GLU N N 15 125.231 0.043 A 44 VAL H H 1 8.742 0.007 A 44 VAL HA H 1 4.852 0.012 A 44 VAL HB H 1 2.292 0.007 A 44 VAL HG1% H 1 0.899 0.007 A 44 VAL HG2% H 1 0.732 0.003 A 44 VAL C C 13 174.49 0.000 A 44 VAL CA C 13 58.267 0.092 A 44 VAL CB C 13 36.006 0.074 A 44 VAL CGy C 13 22.258 0.044 A 44 VAL CGx C 13 19.211 0.048 A 44 VAL N N 15 118.429 0.029 A 45 ASP H H 1 8.656 0.003 A 45 ASP HA H 1 4.518 0.013 A 45 ASP HBy H 1 2.658 0.013 A 45 ASP HBx H 1 2.614 0.01 A 45 ASP C C 13 177.115 0.000 A 45 ASP CA C 13 55.355 0.217 A 45 ASP CB C 13 42.694 0.055 A 45 ASP N N 15 121.521 0.047 A 46 LYS H H 1 8.267 0.005 A 46 LYS HA H 1 3.784 0.006 A 46 LYS HBy H 1 1.746 0.002 A 46 LYS HBx H 1 1.64 0.004 A 46 LYS HEx H 1 3.092 0.000 A 46 LYS HEy H 1 3.092 0.000 A 46 LYS HGx H 1 1.341 0.000 A 46 LYS HGy H 1 1.341 0.000 A 46 LYS C C 13 176.83 0.000 A 46 LYS CA C 13 59.296 0.091 A 46 LYS CB C 13 32.107 0.086 A 46 LYS N N 15 121.828 0.078 A 47 ASP H H 1 8.632 0.003 A 47 ASP HA H 1 4.832 0.009 A 47 ASP HBy H 1 2.863 0.011 A 47 ASP HBx H 1 2.566 0.011 A 47 ASP C C 13 176.085 0.000 A 47 ASP CA C 13 53.959 0.071 A 47 ASP CB C 13 40.576 0.064 A 47 ASP N N 15 118.668 0.037 A 48 VAL H H 1 7.369 0.005 A 48 VAL HA H 1 4.159 0.008 A 48 VAL HB H 1 2.366 0.018 A 48 VAL HG1% H 1 0.887 0.011 A 48 VAL HG2% H 1 0.887 0.011 A 48 VAL C C 13 174.578 0.000 A 48 VAL CA C 13 62.783 0.089 A 48 VAL CB C 13 32.285 0.136 A 48 VAL N N 15 121.337 0.056 A 49 THR H H 1 7.985 0.01 A 49 THR HA H 1 4.665 0.006 A 49 THR HB H 1 4.664 0.006 A 49 THR HG2% H 1 1.322 0.003 A 49 THR C C 13 175.881 0.000 A 49 THR CA C 13 59.927 0.109 A 49 THR CB C 13 71.449 0.139 A 49 THR CG2 C 13 25.117 0.04 A 49 THR N N 15 115.526 0.038 A 50 LEU H H 1 8.907 0.004 A 50 LEU HA H 1 3.828 0.005 A 50 LEU HBy H 1 1.819 0.008 A 50 LEU HBx H 1 1.588 0.008 A 50 LEU HD1% H 1 0.881 0.009 A 50 LEU HD2% H 1 0.836 0.009 A 50 LEU HG H 1 1.682 0.005 A 50 LEU C C 13 178.303 0.000 A 50 LEU CA C 13 58.86 0.081 A 50 LEU CB C 13 41.986 0.056 A 50 LEU CDy C 13 25.085 0.034 A 50 LEU CG C 13 27.415 0.035 A 50 LEU N N 15 122.41 0.057 A 51 ASP H H 1 8.231 0.004 A 51 ASP HA H 1 4.274 0.009 A 51 ASP HBy H 1 2.651 0.011 A 51 ASP HBx H 1 2.505 0.007 A 51 ASP C C 13 178.521 0.000 A 51 ASP CA C 13 56.991 0.086 A 51 ASP CB C 13 40.437 0.07 A 51 ASP N N 15 115.477 0.033 A 52 GLU H H 1 7.366 0.007 A 52 GLU HA H 1 4.042 0.009 A 52 GLU HBy H 1 2.255 0.009 A 52 GLU HBx H 1 1.899 0.015 A 52 GLU HGx H 1 2.264 0.017 A 52 GLU HGy H 1 2.264 0.017 A 52 GLU C C 13 180.06 0.000 A 52 GLU CA C 13 58.457 0.069 A 52 GLU CB C 13 30.237 0.109 A 52 GLU N N 15 119.726 0.061 A 53 LEU H H 1 7.963 0.003 A 53 LEU HA H 1 3.883 0.009 A 53 LEU HBx H 1 1.903 0.000 A 53 LEU HBy H 1 1.903 0.000 A 53 LEU HD1% H 1 0.639 0.015 A 53 LEU HD2% H 1 0.639 0.015 A 53 LEU C C 13 177.564 0.000 A 53 LEU CA C 13 57.332 0.154 A 53 LEU CB C 13 41.197 0.074 A 53 LEU CDx C 13 22.181 0.013 A 53 LEU N N 15 119.428 0.051 A 54 LEU H H 1 8.3 0.007 A 54 LEU HA H 1 3.958 0.007 A 54 LEU HBx H 1 1.469 0.018 A 54 LEU HBy H 1 1.469 0.018 A 54 LEU HD1% H 1 0.784 0.003 A 54 LEU HD2% H 1 0.784 0.003 A 54 LEU HG H 1 1.917 0.000 A 54 LEU C C 13 180.337 0.000 A 54 LEU CA C 13 58.354 0.08 A 54 LEU CB C 13 40.827 0.108 A 54 LEU CDx C 13 22.705 0.008 A 54 LEU N N 15 118.959 0.069 A 55 ASP H H 1 8.26 0.004 A 55 ASP HA H 1 4.333 0.01 A 55 ASP HBy H 1 2.762 0.005 A 55 ASP HBx H 1 2.725 0.024 A 55 ASP C C 13 178.836 0.000 A 55 ASP CA C 13 57.588 0.167 A 55 ASP CB C 13 40.367 0.075 A 55 ASP N N 15 120.035 0.054 A 56 VAL H H 1 7.472 0.005 A 56 VAL HA H 1 3.806 0.017 A 56 VAL HB H 1 1.957 0.000 A 56 VAL HG1% H 1 0.947 0.012 A 56 VAL HG2% H 1 0.947 0.012 A 56 VAL C C 13 179.213 0.000 A 56 VAL CA C 13 65.847 0.123 A 56 VAL N N 15 119.563 0.035 A 57 VAL H H 1 8.427 0.004 A 57 VAL HA H 1 3.806 0.013 A 57 VAL HB H 1 2.226 0.011 A 57 VAL HG1% H 1 1.102 0.011 A 57 VAL HG2% H 1 1.102 0.011 A 57 VAL C C 13 178.123 0.000 A 57 VAL CA C 13 66.182 0.095 A 57 VAL CB C 13 31.847 0.207 A 57 VAL CGy C 13 22.255 0.027 A 57 VAL N N 15 122.77 0.067 A 58 LEU H H 1 8.934 0.006 A 58 LEU HA H 1 3.734 0.008 A 58 LEU HBy H 1 1.913 0.014 A 58 LEU HBx H 1 1.461 0.012 A 58 LEU HD1% H 1 0.844 0.002 A 58 LEU HD2% H 1 0.795 0.003 A 58 LEU HG H 1 1.544 0.006 A 58 LEU C C 13 177.615 0.000 A 58 LEU CA C 13 58.444 0.123 A 58 LEU CB C 13 40.649 0.109 A 58 LEU CDx C 13 24.236 0.004 A 58 LEU N N 15 118.423 0.09 A 59 ASP H H 1 7.183 0.009 A 59 ASP HA H 1 4.343 0.018 A 59 ASP HBx H 1 2.783 0.000 A 59 ASP HBy H 1 2.783 0.000 A 59 ASP C C 13 178.701 0.000 A 59 ASP CA C 13 57.672 0.144 A 59 ASP CB C 13 41.355 0.000 A 59 ASP N N 15 116.713 0.036 A 60 ALA H H 1 7.9 0.004 A 60 ALA HA H 1 4.308 0.006 A 60 ALA HB% H 1 1.932 0.006 A 60 ALA C C 13 181.017 0.000 A 60 ALA CA C 13 55.304 0.126 A 60 ALA CB C 13 18.478 0.103 A 60 ALA N N 15 123.801 0.064 A 61 VAL H H 1 8.839 0.009 A 61 VAL HA H 1 3.462 0.015 A 61 VAL HB H 1 1.995 0.000 A 61 VAL HG1% H 1 0.953 0.014 A 61 VAL HG2% H 1 0.953 0.014 A 61 VAL C C 13 178.015 0.000 A 61 VAL CA C 13 66.416 0.245 A 61 VAL N N 15 122.476 0.069 A 62 GLU H H 1 8.472 0.006 A 62 GLU HA H 1 3.695 0.005 A 62 GLU HBx H 1 2.164 0.013 A 62 GLU HBy H 1 2.164 0.013 A 62 GLU HGx H 1 2.379 0.004 A 62 GLU HGy H 1 2.379 0.004 A 62 GLU C C 13 179.4 0.000 A 62 GLU CA C 13 60.381 0.09 A 62 GLU CB C 13 28.537 0.065 A 62 GLU CG C 13 35.61 0.021 A 62 GLU N N 15 119.476 0.047 A 63 SER H H 1 8.526 0.005 A 63 SER HA H 1 4.207 0.014 A 63 SER HBy H 1 4.062 0.005 A 63 SER HBx H 1 4.011 0.024 A 63 SER C C 13 176.565 0.000 A 63 SER CA C 13 61.603 0.133 A 63 SER CB C 13 63.194 0.000 A 63 SER N N 15 115.275 0.034 A 64 THR H H 1 7.886 0.004 A 64 THR HA H 1 3.897 0.007 A 64 THR HB H 1 3.98 0.068 A 64 THR HG2% H 1 1.004 0.004 A 64 THR C C 13 175.386 0.000 A 64 THR CA C 13 66.493 0.068 A 64 THR CB C 13 68.153 0.046 A 64 THR N N 15 117.773 0.03 A 65 LEU H H 1 7.812 0.006 A 65 LEU HA H 1 4.309 0.007 A 65 LEU HBx H 1 1.57 0.017 A 65 LEU HBy H 1 1.57 0.017 A 65 LEU HD1% H 1 0.393 0.000 A 65 LEU HD2% H 1 0.74 0.005 A 65 LEU HG H 1 1.632 0.003 A 65 LEU C C 13 177.935 0.000 A 65 LEU CA C 13 55.69 0.102 A 65 LEU CB C 13 42.673 0.11 A 65 LEU CG C 13 26.278 0.058 A 65 LEU N N 15 117 0.058 A 66 SER H H 1 8.413 0.007 A 66 SER HA H 1 3.982 0.000 A 66 SER HBx H 1 4.053 0.002 A 66 SER HBy H 1 4.053 0.002 A 66 SER CA C 13 64.207 0.055 A 66 SER CB C 13 61.32 0.000 A 66 SER N N 15 116.162 0.061 A 67 PRO HA H 1 4.524 0.005 A 67 PRO HBy H 1 2.486 0.01 A 67 PRO HBx H 1 1.833 0.009 A 67 PRO HGx H 1 1.935 0.005 A 67 PRO HGy H 1 1.935 0.005 A 67 PRO C C 13 177.826 0.000 A 67 PRO CA C 13 65.43 0.072 A 67 PRO CB C 13 31.814 0.07 A 67 PRO CG C 13 28.208 0.007 A 68 CYS H H 1 7.96 0.005 A 68 CYS HA H 1 4.203 0.007 A 68 CYS HBx H 1 3.034 0.011 A 68 CYS HBy H 1 3.034 0.011 A 68 CYS C C 13 175.58 0.000 A 68 CYS CA C 13 58.449 0.118 A 68 CYS CB C 13 28.141 0.079 A 68 CYS N N 15 113.517 0.027 A 69 LYS H H 1 7.628 0.006 A 69 LYS HA H 1 3.844 0.007 A 69 LYS HBy H 1 1.876 0.005 A 69 LYS HBx H 1 1.746 0.016 A 69 LYS HGx H 1 1.698 0.000 A 69 LYS HGy H 1 1.698 0.000 A 69 LYS C C 13 175.863 0.000 A 69 LYS CA C 13 60.188 0.076 A 69 LYS CB C 13 33.106 0.057 A 69 LYS N N 15 119.274 0.048 A 70 GLU H H 1 7.972 0.004 A 70 GLU HA H 1 4.404 0.01 A 70 GLU HBx H 1 1.798 0.005 A 70 GLU HBy H 1 2.272 0.004 A 70 GLU HGx H 1 2.167 0.006 A 70 GLU HGy H 1 2.167 0.006 A 70 GLU C C 13 176.504 0.000 A 70 GLU CA C 13 55.129 0.087 A 70 GLU CB C 13 29.368 0.026 A 70 GLU CG C 13 36.361 0.052 A 70 GLU N N 15 113.71 0.051 A 71 HIS H H 1 7.558 0.012 A 71 HIS HA H 1 4.429 0.015 A 71 HIS HBy H 1 2.869 0.000 A 71 HIS HBx H 1 2.712 0.000 A 71 HIS HD2 H 1 7.215 0.002 A 71 HIS HE1 H 1 7.998 0.000 A 71 HIS C C 13 177.025 0.000 A 71 HIS CA C 13 57.447 0.053 A 71 HIS CB C 13 31.646 0.129 A 71 HIS CD2 C 13 118.492 0.006 A 71 HIS CE1 C 13 138.623 0.000 A 71 HIS N N 15 121.513 0.073 A 72 ASP H H 1 8.691 0.005 A 72 ASP HA H 1 4.397 0.01 A 72 ASP HBx H 1 2.68 0.012 A 72 ASP HBy H 1 2.68 0.012 A 72 ASP C C 13 177.034 0.000 A 72 ASP CA C 13 56.619 0.079 A 72 ASP CB C 13 40.968 0.073 A 72 ASP N N 15 125.917 0.035 A 73 VAL H H 1 9.297 0.005 A 73 VAL HA H 1 3.957 0.013 A 73 VAL HG1% H 1 0.673 0.000 A 73 VAL HG2% H 1 0.673 0.000 A 73 VAL C C 13 178.701 0.000 A 73 VAL CA C 13 66.271 0.103 A 73 VAL CB C 13 36.02 0.000 A 73 VAL N N 15 120.435 0.074 A 74 ILE H H 1 8.705 0.008 A 74 ILE HA H 1 4.494 0.007 A 74 ILE HB H 1 2.225 0.007 A 74 ILE HD1% H 1 0.863 0.009 A 74 ILE HG1y H 1 1.395 0.008 A 74 ILE HG1x H 1 1.045 0.011 A 74 ILE HG2% H 1 0.987 0.006 A 74 ILE C C 13 177.095 0.000 A 74 ILE CA C 13 61.88 0.105 A 74 ILE CB C 13 39.731 0.07 A 74 ILE CD1 C 13 14.029 0.034 A 74 ILE CG1 C 13 27.127 0.027 A 74 ILE CG2 C 13 18.059 0.032 A 74 ILE N N 15 115.763 0.018 A 75 GLY H H 1 8.234 0.008 A 75 GLY HAx H 1 4.128 0.021 A 75 GLY HAy H 1 4.128 0.021 A 75 GLY C C 13 176.444 0.000 A 75 GLY CA C 13 48.534 0.153 A 75 GLY N N 15 113.165 0.053 A 76 THR H H 1 8.34 0.007 A 76 THR HA H 1 4.096 0.007 A 76 THR HB H 1 4.255 0.007 A 76 THR HG2% H 1 1.343 0.006 A 76 THR C C 13 177.639 0.000 A 76 THR CA C 13 65.959 0.046 A 76 THR CB C 13 68.462 0.129 A 76 THR CG2 C 13 22.056 0.085 A 76 THR N N 15 115.114 0.037 A 77 LYS H H 1 7.635 0.006 A 77 LYS HA H 1 4.285 0.007 A 77 LYS HBx H 1 2.237 0.008 A 77 LYS HBy H 1 2.237 0.008 A 77 LYS HDx H 1 1.788 0.004 A 77 LYS HDy H 1 1.788 0.004 A 77 LYS HGy H 1 1.724 0.011 A 77 LYS HGx H 1 1.591 0.004 A 77 LYS C C 13 179.856 0.000 A 77 LYS CA C 13 59.167 0.134 A 77 LYS CB C 13 32.264 0.076 A 77 LYS CG C 13 25.849 0.042 A 77 LYS N N 15 122.454 0.061 A 78 VAL H H 1 8.635 0.004 A 78 VAL HA H 1 3.222 0.007 A 78 VAL HB H 1 2.308 0.01 A 78 VAL HG1% H 1 0.796 0.01 A 78 VAL HG2% H 1 0.706 0.012 A 78 VAL C C 13 177.7 0.000 A 78 VAL CA C 13 66.836 0.125 A 78 VAL CB C 13 31.481 0.058 A 78 VAL CGy C 13 24.333 0.024 A 78 VAL CGx C 13 22.318 0.032 A 78 VAL N N 15 122.675 0.045 A 79 CYS H H 1 8.489 0.015 A 79 CYS HA H 1 3.947 0.000 A 79 CYS HBy H 1 1.886 0.002 A 79 CYS HBx H 1 1.765 0.007 A 79 CYS C C 13 176.693 0.000 A 79 CYS CA C 13 64.35 0.109 A 79 CYS CB C 13 26.883 0.038 A 79 CYS N N 15 117.597 0.033 A 80 ALA H H 1 7.731 0.004 A 80 ALA HA H 1 4.219 0.009 A 80 ALA HB% H 1 1.548 0.005 A 80 ALA C C 13 180.427 0.000 A 80 ALA CA C 13 55.073 0.116 A 80 ALA CB C 13 17.915 0.086 A 80 ALA N N 15 120.819 0.131 A 81 LEU H H 1 7.721 0.015 A 81 LEU HA H 1 4.386 0.004 A 81 LEU HBx H 1 1.938 0.000 A 81 LEU HBy H 1 1.938 0.000 A 81 LEU CA C 13 58.066 0.137 A 81 LEU CB C 13 40.205 0.000 A 81 LEU N N 15 121.049 0.116 A 82 LEU H H 1 8.153 0.004 A 82 LEU HA H 1 4.686 0.000 A 82 LEU HG H 1 1.853 0.008 A 82 LEU CA C 13 53.348 0.000 A 82 LEU CG C 13 27.436 0.000 A 82 LEU N N 15 122.024 0.075 A 83 ASP HA H 1 4.451 0.004 A 83 ASP HBy H 1 2.797 0.006 A 83 ASP HBx H 1 2.619 0.008 A 83 ASP C C 13 179.472 0.000 A 83 ASP CA C 13 57.285 0.067 A 83 ASP CB C 13 40.079 0.05 A 84 ARG H H 1 7.888 0.005 A 84 ARG HA H 1 4.021 0.009 A 84 ARG HBy H 1 1.933 0.009 A 84 ARG HBx H 1 1.798 0.014 A 84 ARG HGx H 1 1.244 0.005 A 84 ARG HGy H 1 1.244 0.005 A 84 ARG C C 13 178.487 0.000 A 84 ARG CA C 13 60.094 0.095 A 84 ARG CB C 13 30.622 0.067 A 84 ARG CG C 13 23.986 0.053 A 84 ARG N N 15 122.823 0.045 A 85 LEU H H 1 8.61 0.008 A 85 LEU HA H 1 4.141 0.008 A 85 LEU HBy H 1 1.979 0.007 A 85 LEU HBx H 1 1.586 0.006 A 85 LEU HD1% H 1 0.827 0.008 A 85 LEU HD2% H 1 0.827 0.008 A 85 LEU C C 13 177.636 0.000 A 85 LEU CA C 13 57.453 0.063 A 85 LEU CB C 13 41.988 0.062 A 85 LEU CDx C 13 21.246 0.007 A 85 LEU N N 15 118.433 0.065 A 86 ALA H H 1 7.33 0.007 A 86 ALA HA H 1 4.373 0.004 A 86 ALA HB% H 1 1.493 0.004 A 86 ALA C C 13 179.086 0.000 A 86 ALA CA C 13 53.076 0.119 A 86 ALA CB C 13 19.053 0.072 A 86 ALA N N 15 117.412 0.053 A 87 GLY H H 1 7.663 0.005 A 87 GLY HAy H 1 4.34 0.01 A 87 GLY HAx H 1 3.795 0.009 A 87 GLY C C 13 173.495 0.000 A 87 GLY CA C 13 45.982 0.085 A 87 GLY N N 15 104.557 0.051 A 88 ASP H H 1 8.676 0.005 A 88 ASP HA H 1 4.939 0.007 A 88 ASP HBx H 1 2.715 0.009 A 88 ASP HBy H 1 2.715 0.009 A 88 ASP C C 13 175.21 0.000 A 88 ASP CA C 13 53.172 0.077 A 88 ASP CB C 13 42.445 0.045 A 88 ASP N N 15 123.194 0.052 A 89 TYR H H 1 8.442 0.006 A 89 TYR HA H 1 4.123 0.006 A 89 TYR HBx H 1 2.736 0.006 A 89 TYR HBy H 1 2.874 0.009 A 89 TYR HDx H 1 6.67 0.003 A 89 TYR HDy H 1 6.67 0.003 A 89 TYR HEx H 1 6.753 0.025 A 89 TYR HEy H 1 6.753 0.025 A 89 TYR C C 13 174.793 0.000 A 89 TYR CA C 13 59.432 0.087 A 89 TYR CB C 13 38.953 0.037 A 89 TYR CDx C 13 132.866 0.031 A 89 TYR CEx C 13 117.359 0.008 A 89 TYR N N 15 120.252 0.053 A 90 VAL H H 1 7.47 0.004 A 90 VAL HA H 1 4.129 0.007 A 90 VAL HB H 1 1.693 0.009 A 90 VAL HG1% H 1 0.868 0.012 A 90 VAL HG2% H 1 0.524 0.006 A 90 VAL C C 13 173.764 0.000 A 90 VAL CA C 13 61.669 0.099 A 90 VAL CB C 13 33.602 0.06 A 90 VAL CGx C 13 22.152 0.032 A 90 VAL CGy C 13 22.958 0.032 A 90 VAL N N 15 124.444 0.052 A 91 TYR H H 1 8.961 0.011 A 91 TYR HA H 1 4.503 0.015 A 91 TYR HDx H 1 7.129 0.008 A 91 TYR HDy H 1 7.129 0.008 A 91 TYR HEx H 1 6.556 0.009 A 91 TYR HEy H 1 6.556 0.009 A 91 TYR C C 13 178.686 0.000 A 91 TYR CA C 13 58.099 0.109 A 91 TYR CB C 13 40.612 0.08 A 91 TYR CDx C 13 133.856 0.119 A 91 TYR CEx C 13 118.052 0.037 A 91 TYR N N 15 124.542 0.053 A 92 LEU H H 1 8.565 0.005 A 92 LEU HA H 1 5.492 0.007 A 92 LEU HBy H 1 1.478 0.007 A 92 LEU HBx H 1 1.388 0.006 A 92 LEU HD1% H 1 0.675 0.007 A 92 LEU HD2% H 1 0.675 0.007 A 92 LEU HG H 1 1.461 0.01 A 92 LEU C C 13 175.694 0.000 A 92 LEU CA C 13 53.193 0.061 A 92 LEU CB C 13 45.572 0.042 A 92 LEU CDx C 13 24.851 0.074 A 92 LEU CG C 13 27.054 0.022 A 92 LEU N N 15 118.866 0.044 A 93 PHE H H 1 8.002 0.004 A 93 PHE HA H 1 5.318 0.011 A 93 PHE HBy H 1 3.026 0.016 A 93 PHE HBx H 1 2.825 0.02 A 93 PHE C C 13 174.113 0.000 A 93 PHE CA C 13 54.83 0.066 A 93 PHE CB C 13 40.886 0.057 A 93 PHE N N 15 116.269 0.042 A 94 ASP H H 1 9.373 0.004 A 94 ASP HA H 1 5.047 0.009 A 94 ASP HBy H 1 3.402 0.01 A 94 ASP HBx H 1 3.074 0.013 A 94 ASP C C 13 178.138 0.000 A 94 ASP CA C 13 52.757 0.103 A 94 ASP CB C 13 41.779 0.089 A 94 ASP N N 15 120.684 0.061 A 95 GLU H H 1 8.549 0.008 A 95 GLU HA H 1 4.201 0.006 A 95 GLU HBx H 1 2.169 0.01 A 95 GLU HBy H 1 2.169 0.01 A 95 GLU HGx H 1 2.327 0.005 A 95 GLU HGy H 1 2.327 0.005 A 95 GLU C C 13 177.267 0.000 A 95 GLU CA C 13 59.08 0.128 A 95 GLU CB C 13 29.813 0.079 A 95 GLU CG C 13 36.919 0.03 A 95 GLU N N 15 116.09 0.066 A 96 GLY H H 1 8.255 0.007 A 96 GLY HAx H 1 4.349 0.006 A 96 GLY HAy H 1 4.349 0.006 A 96 GLY C C 13 174.719 0.000 A 96 GLY CA C 13 44.901 0.067 A 96 GLY N N 15 107.233 0.069 A 97 GLY H H 1 8.229 0.004 A 97 GLY HAy H 1 4.106 0.007 A 97 GLY HAx H 1 3.438 0.008 A 97 GLY C C 13 173.13 0.000 A 97 GLY CA C 13 45.329 0.075 A 97 GLY N N 15 108.631 0.051 A 98 ASP H H 1 8.736 0.005 A 98 ASP HA H 1 4.959 0.007 A 98 ASP HBx H 1 2.554 0.011 A 98 ASP HBy H 1 2.755 0.009 A 98 ASP C C 13 176.904 0.000 A 98 ASP CA C 13 53.605 0.11 A 98 ASP CB C 13 42.601 0.068 A 98 ASP N N 15 120.843 0.051 A 99 GLU H H 1 9.047 0.005 A 99 GLU HA H 1 4.743 0.006 A 99 GLU HBy H 1 2.179 0.016 A 99 GLU HBx H 1 2.113 0.014 A 99 GLU HGx H 1 2.499 0.008 A 99 GLU HGy H 1 2.499 0.008 A 99 GLU C C 13 174.535 0.000 A 99 GLU CA C 13 55.566 0.12 A 99 GLU CB C 13 28.276 0.099 A 99 GLU CG C 13 36.892 0.035 A 99 GLU N N 15 125.51 0.084 A 100 VAL H H 1 7.794 0.01 A 100 VAL HA H 1 4.299 0.008 A 100 VAL HB H 1 2.003 0.005 A 100 VAL HG1% H 1 0.925 0.004 A 100 VAL HG2% H 1 0.875 0.012 A 100 VAL C C 13 173.106 0.000 A 100 VAL CA C 13 59.824 0.125 A 100 VAL CB C 13 35.584 0.082 A 100 VAL CGx C 13 21.388 0.032 A 100 VAL N N 15 121.353 0.072 A 101 ILE H H 1 8.016 0.008 A 101 ILE HA H 1 3.959 0.009 A 101 ILE HB H 1 1.711 0.005 A 101 ILE HD1% H 1 0.603 0.008 A 101 ILE HG1y H 1 1.581 0.003 A 101 ILE HG1x H 1 1.088 0.01 A 101 ILE HG2% H 1 0.682 0.011 A 101 ILE C C 13 175.362 0.000 A 101 ILE CA C 13 61.449 0.093 A 101 ILE CB C 13 36.713 0.092 A 101 ILE CD1 C 13 12.625 0.033 A 101 ILE CG1 C 13 28.052 0.022 A 101 ILE CG2 C 13 17.249 0.036 A 101 ILE N N 15 121.108 0.036 A 102 ALA H H 1 7.992 0.006 A 102 ALA HA H 1 4.795 0.008 A 102 ALA HB% H 1 1.618 0.007 A 102 ALA CA C 13 50.035 0.126 A 102 ALA CB C 13 22.689 0.067 A 102 ALA N N 15 132.309 0.03 A 103 PRO HA H 1 4.513 0.006 A 103 PRO HBy H 1 2.566 0.004 A 103 PRO HBx H 1 1.924 0.019 A 103 PRO CA C 13 64.603 0.093 A 103 PRO CB C 13 32.534 0.033 A 104 ARG H H 1 6.864 0.005 A 104 ARG HA H 1 5.201 0.006 A 104 ARG HBy H 1 1.637 0.005 A 104 ARG HBx H 1 1.612 0.005 A 104 ARG HDy H 1 3.156 0.009 A 104 ARG HDx H 1 3.097 0.01 A 104 ARG HGy H 1 1.48 0.011 A 104 ARG HGx H 1 1.449 0.01 A 104 ARG CA C 13 54.374 0.067 A 104 ARG CB C 13 32.051 0.065 A 104 ARG CD C 13 42.733 0.024 A 104 ARG N N 15 114.687 0.057 A 105 MET HA H 1 4.991 0.000 A 105 MET HBx H 1 1.315 0.001 A 105 MET HBy H 1 1.315 0.001 A 105 MET HGx H 1 1.6 0.000 A 105 MET HGy H 1 1.6 0.000 A 105 MET C C 13 173.605 0.000 A 105 MET CA C 13 53.932 0.019 A 105 MET CB C 13 38.95 0.036 A 105 MET CE C 13 17.185 0.027 A 106 TYR H H 1 9.202 0.008 A 106 TYR HA H 1 4.885 0.008 A 106 TYR HBy H 1 2.08 0.007 A 106 TYR HBx H 1 1.504 0.008 A 106 TYR HDx H 1 6.794 0.027 A 106 TYR HDy H 1 6.794 0.027 A 106 TYR HEx H 1 6.835 0.028 A 106 TYR HEy H 1 6.835 0.028 A 106 TYR C C 13 173.761 0.000 A 106 TYR CA C 13 56.441 0.161 A 106 TYR CB C 13 41.52 0.085 A 106 TYR CDx C 13 133.144 0.028 A 106 TYR CEx C 13 117.981 0.024 A 106 TYR N N 15 120.076 0.062 A 107 CYS H H 1 7.579 0.004 A 107 CYS HA H 1 5.262 0.007 A 107 CYS HBx H 1 2.041 0.018 A 107 CYS HBy H 1 2.041 0.018 A 107 CYS CA C 13 56.406 0.178 A 107 CYS CB C 13 28.786 0.095 A 107 CYS N N 15 119.7 0.028 A 108 SER H H 1 8.995 0.005 A 108 SER HA H 1 4.924 0.008 A 108 SER HBy H 1 3.638 0.000 A 108 SER HBx H 1 3.546 0.000 A 108 SER C C 13 173.78 0.000 A 108 SER CA C 13 56.133 0.09 A 108 SER CB C 13 65.35 0.223 A 108 SER N N 15 120.403 0.067 A 109 PHE H H 1 7.818 0.005 A 109 PHE HA H 1 5.455 0.008 A 109 PHE HBy H 1 3.737 0.008 A 109 PHE HBx H 1 3.194 0.009 A 109 PHE HDx H 1 7.761 0.003 A 109 PHE HDy H 1 7.761 0.003 A 109 PHE C C 13 176.691 0.000 A 109 PHE CA C 13 59.596 0.088 A 109 PHE CB C 13 40.131 0.076 A 109 PHE CDx C 13 132.231 0.012 A 109 PHE N N 15 121.079 0.057 A 110 SER H H 1 8.959 0.005 A 110 SER HA H 1 4.68 0.004 A 110 SER HBy H 1 3.827 0.014 A 110 SER HBx H 1 3.75 0.013 A 110 SER C C 13 172.056 0.000 A 110 SER CA C 13 57.747 0.102 A 110 SER CB C 13 64.223 0.07 A 110 SER N N 15 116.978 0.046 A 111 ALA H H 1 8.014 0.007 A 111 ALA HA H 1 3.024 0.011 A 111 ALA HB% H 1 0.86 0.009 A 111 ALA CA C 13 49.79 0.124 A 111 ALA CB C 13 17.168 0.105 A 111 ALA N N 15 126.946 0.04 A 112 PRO HA H 1 4.374 0.005 A 112 PRO HBy H 1 1.545 0.009 A 112 PRO HBx H 1 1.087 0.006 A 112 PRO HDx H 1 3.719 0.008 A 112 PRO HDy H 1 3.719 0.008 A 112 PRO HGx H 1 1.597 0.016 A 112 PRO HGy H 1 1.597 0.016 A 112 PRO C C 13 176.324 0.000 A 112 PRO CA C 13 62.906 0.087 A 112 PRO CB C 13 31.029 0.047 A 112 PRO CG C 13 27.207 0.054 A 113 ASP H H 1 7.952 0.005 A 113 ASP HA H 1 4.461 0.005 A 113 ASP HBy H 1 2.591 0.005 A 113 ASP HBx H 1 2.485 0.009 A 113 ASP C C 13 175.099 0.000 A 113 ASP CA C 13 53.781 0.095 A 113 ASP CB C 13 41.023 0.041 A 113 ASP N N 15 119.404 0.025 A 114 ASP H H 1 7.696 0.003 A 114 ASP HA H 1 4.307 0.007 A 114 ASP HBy H 1 2.597 0.012 A 114 ASP HBx H 1 2.513 0.008 A 114 ASP CA C 13 55.889 0.169 A 114 ASP CB C 13 42.027 0.026 A 114 ASP N N 15 125.692 0.017 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 92 LEU HA A 107 CYS HA 1.0 1.8 4.76 2 2 A 90 VAL HB A 108 SER HA 1.0 1.8 5.40 3 3 A 26 ALA HA A 27 LEU HA 1.0 1.8 5.56 4 4 A 99 GLU HA A 93 PHE HBx 1.0 1.8 5.64 5 5 A 99 GLU HA A 93 PHE HBy 1.0 1.8 5.64 6 6 A 99 GLU HA A 93 PHE HA 1.0 1.8 4.88 7 7 A 41 GLU HA A 42 PHE HA 1.0 1.8 5.73 8 8 A 20 LYS HA A 21 ILE HA 1.0 1.8 6.05 9 9 A 18 THR HA A 45 ASP HA 1.0 1.8 4.48 10 10 A 38 ALA HA A 39 CYS HA 1.0 1.8 5.54 11 11 A 60 ALA HA A 61 VAL HA 1.0 1.8 5.91 12 12 A 80 ALA HA A 83 ASP HBx 1.0 1.8 4.63 13 13 A 80 ALA HA A 83 ASP HBy 1.0 1.8 4.63 14 14 A 9 LYS HA A 9 LYS HGx 1.0 1.8 4.17 15 15 A 104 ARG HA A 104 ARG HDx 1.0 1.8 4.68 16 16 A 88 ASP HA A 89 TYR HA 1.0 1.8 5.90 17 17 A 15 ILE HG1y A 16 PRO HDy 1.0 1.8 6.05 18 18 A 15 ILE HG1y A 16 PRO HDx 1.0 1.8 6.05 19 19 A 9 LYS HA A 10 PRO HDx 1.0 1.8 3.47 20 20 A 9 LYS HA A 10 PRO HDy 1.0 1.8 3.47 21 21 A 97 GLY HAy A 93 PHE HBx 1.0 1.8 5.92 22 22 A 93 PHE HBy A 97 GLY HAy 1.0 1.8 5.92 23 23 A 93 PHE HBy A 97 GLY HAx 1.0 1.8 5.92 24 24 A 93 PHE HBx A 97 GLY HAx 1.0 1.8 5.92 25 25 A 97 GLY HAx A 112 PRO HBy 1.0 1.8 5.53 26 26 A 107 CYS HA A 92 LEU HBx 1.0 1.8 6.05 27 27 A 107 CYS HA A 92 LEU HBy 1.0 1.8 6.05 28 28 A 104 ARG HA A 104 ARG HDy 1.0 1.8 4.68 29 29 A 104 ARG HDy A 103 PRO HBx 1.0 1.8 5.51 30 30 A 103 PRO HBx A 104 ARG HDx 1.0 1.8 5.51 31 31 A 103 PRO HBy A 104 ARG HDx 1.0 1.8 5.51 32 32 A 104 ARG HDy A 103 PRO HBy 1.0 1.8 5.51 33 33 A 100 VAL HB A 98 ASP HBx 1.0 1.8 5.02 34 34 A 15 ILE HB A 16 PRO HDy 1.0 1.8 5.26 35 35 A 15 ILE HB A 16 PRO HDx 1.0 1.8 5.26 36 36 A 100 VAL HB A 98 ASP HBy 1.0 1.8 5.02 37 37 A 5 GLU HA A 6 PHE HBx 1.0 1.8 6.05 38 38 A 5 GLU HA A 6 PHE HBy 1.0 1.8 6.05 39 39 A 52 GLU HA A 55 ASP HBy 1.0 1.8 4.96 40 40 A 34 VAL HA A 37 LYS HBx 1.0 1.8 4.73 41 41 A 31 PHE HA A 34 VAL HB 1.0 1.8 4.75 42 42 A 97 GLY HAy A 112 PRO HBy 1.0 1.8 5.53 43 43 A 112 PRO HBx A 97 GLY HAx 1.0 1.8 5.53 44 44 A 97 GLY HAy A 112 PRO HBx 1.0 1.8 5.53 45 45 A 50 LEU HA A 50 LEU HG 1.0 1.8 4.62 46 46 A 50 LEU HG A 51 ASP HA 1.0 1.8 5.54 47 47 A 16 PRO HDx A 15 ILE HG1x 1.0 1.8 6.05 48 48 A 15 ILE HG1x A 16 PRO HDy 1.0 1.8 6.05 49 49 A 92 LEU HA A 92 LEU HG 1.0 1.8 4.42 50 50 A 77 LYS HA A 77 LYS HGy 1.0 1.8 4.55 51 51 A 77 LYS HA A 77 LYS HGx 1.0 1.8 4.55 52 52 A 9 LYS HA A 9 LYS HGy 1.0 1.8 4.17 53 53 A 90 VAL HA A 109 PHE HA 1.0 1.8 5.13 54 54 A 107 CYS HA A 92 LEU HG 1.0 1.8 5.32 55 55 A 53 LEU HA A 57 VAL HB 1.0 1.8 5.15 56 56 A 15 ILE HA A 15 ILE HG1x 1.0 1.8 4.65 57 57 A 15 ILE HA A 15 ILE HG1y 1.0 1.8 4.65 58 58 A 15 ILE HA A 16 PRO HDy 1.0 1.8 3.81 59 59 A 15 ILE HA A 16 PRO HDx 1.0 1.8 3.81 60 60 A 52 GLU HA A 55 ASP HBx 1.0 1.8 4.96 61 61 A 69 LYS HA A 78 VAL HB 1.0 1.8 4.83 62 62 A 81 LEU HA A 84 ARG HA 1.0 1.8 5.58 63 63 A 34 VAL HA A 37 LYS HBy 1.0 1.8 4.73 64 64 A 55 ASP HA A 56 VAL HA 1.0 1.8 5.13 65 65 A 29 ALA H A 28 ASP HBx 1.0 1.8 5.36 66 66 A 29 ALA H A 28 ASP HBy 1.0 1.8 5.36 67 67 A 29 ALA H A 30 THR H 1.0 1.8 4.81 68 68 A 22 LYS H A 22 LYS HBy 1.0 1.8 4.50 69 69 A 22 LYS H A 22 LYS HBx 1.0 1.8 4.50 70 70 A 110 SER HA A 111 ALA H 1.0 1.8 3.51 71 71 A 12 VAL HA A 13 ARG H 1.0 1.8 3.82 72 72 A 25 PHE H A 26 ALA H 1.0 1.8 5.41 73 73 A 113 ASP HA A 114 ASP H 1.0 1.8 3.33 74 74 A 98 ASP HA A 99 GLU H 1.0 1.8 3.82 75 75 A 13 ARG HA A 14 LYS H 1.0 1.8 3.53 76 76 A 4 VAL HA A 5 GLU H 1.0 1.8 3.34 77 77 A 14 LYS HA A 15 ILE H 1.0 1.8 3.53 78 78 A 15 ILE HB A 15 ILE H 1.0 1.8 3.93 79 79 A 15 ILE H A 15 ILE HG1y 1.0 1.8 4.62 80 80 A 15 ILE H A 15 ILE HG1x 1.0 1.8 4.62 81 81 A 90 VAL H A 89 TYR HBy 1.0 1.8 4.61 82 82 A 90 VAL H A 89 TYR HBx 1.0 1.8 4.61 83 83 A 90 VAL HB A 90 VAL H 1.0 1.8 4.28 84 84 A 90 VAL HB A 91 TYR H 1.0 1.8 5.32 85 85 A 31 PHE H A 32 ASP H 1.0 1.8 4.16 86 86 A 34 VAL H A 35 LEU H 1.0 1.8 4.48 87 87 A 34 VAL H A 33 SER H 1.0 1.8 4.63 88 88 A 34 VAL HB A 34 VAL H 1.0 1.8 4.11 89 89 A 88 ASP H A 89 TYR H 1.0 1.8 4.76 90 90 A 88 ASP H A 86 ALA H 1.0 1.8 4.80 91 91 A 84 ARG HA A 88 ASP H 1.0 1.8 4.54 92 92 A 50 LEU H A 51 ASP H 1.0 1.8 4.40 93 93 A 50 LEU H A 50 LEU HBy 1.0 1.8 4.10 94 94 A 50 LEU H A 50 LEU HBx 1.0 1.8 4.10 95 95 A 61 VAL H A 62 GLU H 1.0 1.8 4.65 96 96 A 61 VAL H A 60 ALA H 1.0 1.8 4.40 97 97 A 78 VAL H A 77 LYS HGy 1.0 1.8 5.30 98 98 A 78 VAL H A 77 LYS HGx 1.0 1.8 5.30 99 99 A 84 ARG H A 85 LEU H 1.0 1.8 4.16 100 100 A 84 ARG H A 83 ASP HBy 1.0 1.8 4.50 101 101 A 84 ARG H A 83 ASP HBx 1.0 1.8 4.50 102 102 A 84 ARG H A 84 ARG HBy 1.0 1.8 4.15 103 103 A 84 ARG H A 84 ARG HBx 1.0 1.8 4.15 104 104 A 76 THR H A 77 LYS H 1.0 1.8 4.41 105 105 A 77 LYS H A 77 LYS HGy 1.0 1.8 4.75 106 106 A 77 LYS H A 77 LYS HGx 1.0 1.8 4.75 107 107 A 11 LYS H A 12 VAL H 1.0 1.8 4.40 108 108 A 11 LYS H A 10 PRO HA 1.0 1.8 3.29 109 109 A 18 THR HA A 46 LYS H 1.0 1.8 4.76 110 110 A 44 VAL HB A 45 ASP H 1.0 1.8 4.46 111 111 A 5 GLU HA A 6 PHE H 1.0 1.8 3.33 112 112 A 70 GLU H A 71 HIS H 1.0 1.8 4.42 113 113 A 71 HIS H A 72 ASP H 1.0 1.8 5.16 114 114 A 71 HIS H A 74 ILE HB 1.0 1.8 5.02 115 115 A 48 VAL H A 49 THR H 1.0 1.8 4.91 116 116 A 48 VAL H A 47 ASP H 1.0 1.8 3.97 117 117 A 48 VAL H A 48 VAL HB 1.0 1.8 3.88 118 118 A 12 VAL H A 11 LYS HA 1.0 1.8 3.92 119 119 A 12 VAL H A 12 VAL HB 1.0 1.8 4.55 120 120 A 100 VAL HB A 100 VAL H 1.0 1.8 4.58 121 121 A 93 PHE HA A 100 VAL H 1.0 1.8 5.16 122 122 A 100 VAL H A 101 ILE H 1.0 1.8 4.94 123 123 A 109 PHE H A 110 SER H 1.0 1.8 4.14 124 124 A 101 ILE H A 101 ILE HB 1.0 1.8 4.13 125 125 A 100 VAL HB A 101 ILE H 1.0 1.8 4.59 126 126 A 20 LYS H A 21 ILE H 1.0 1.8 5.10 127 127 A 94 ASP H A 98 ASP H 1.0 1.8 5.12 128 128 A 98 ASP H A 98 ASP HBy 1.0 1.8 4.20 129 129 A 98 ASP H A 98 ASP HBx 1.0 1.8 4.20 130 130 A 92 LEU HG A 108 SER H 1.0 1.8 5.56 131 131 A 27 LEU H A 28 ASP H 1.0 1.8 4.14 132 132 A 26 ALA HA A 28 ASP H 1.0 1.8 5.01 133 133 A 28 ASP H A 27 LEU HBy 1.0 1.8 4.69 134 134 A 28 ASP H A 27 LEU HBx 1.0 1.8 4.69 135 135 A 18 THR HB A 19 ARG H 1.0 1.8 5.25 136 136 A 57 VAL H A 58 LEU H 1.0 1.8 4.54 137 137 A 58 LEU H A 54 LEU HA 1.0 1.8 4.81 138 138 A 90 VAL H A 89 TYR H 1.0 1.8 4.87 139 139 A 88 ASP HA A 89 TYR H 1.0 1.8 3.72 140 140 A 89 TYR H A 89 TYR HBy 1.0 1.8 3.83 141 141 A 89 TYR H A 89 TYR HBx 1.0 1.8 3.83 142 142 A 38 ALA H A 39 CYS H 1.0 1.8 4.04 143 143 A 38 ALA H A 37 LYS H 1.0 1.8 4.02 144 144 A 38 ALA H A 35 LEU HA 1.0 1.8 5.05 145 145 A 40 SER H A 41 GLU H 1.0 1.8 3.67 146 146 A 51 ASP H A 52 GLU H 1.0 1.8 4.31 147 147 A 52 GLU H A 52 GLU HBy 1.0 1.8 4.32 148 148 A 52 GLU H A 52 GLU HBx 1.0 1.8 4.32 149 149 A 57 VAL H A 56 VAL H 1.0 1.8 4.49 150 150 A 46 LYS H A 47 ASP H 1.0 1.8 4.53 151 151 A 34 VAL HA A 37 LYS H 1.0 1.8 4.95 152 152 A 37 LYS H A 36 SER H 1.0 1.8 4.36 153 153 A 39 CYS H A 37 LYS H 1.0 1.8 5.12 154 154 A 63 SER H A 64 THR H 1.0 1.8 4.38 155 155 A 78 VAL HB A 79 CYS H 1.0 1.8 4.58 156 156 A 108 SER HA A 110 SER H 1.0 1.8 4.79 157 157 A 17 SER H A 18 THR H 1.0 1.8 4.30 158 158 A 17 SER H A 16 PRO HA 1.0 1.8 3.55 159 159 A 17 SER H A 16 PRO HBy 1.0 1.8 4.75 160 160 A 17 SER H A 16 PRO HBx 1.0 1.8 4.75 161 161 A 65 LEU H A 66 SER H 1.0 1.8 4.47 162 162 A 66 SER H A 65 LEU HG 1.0 1.8 4.88 163 163 A 95 GLU H A 94 ASP HBy 1.0 1.8 4.82 164 164 A 95 GLU H A 94 ASP HBx 1.0 1.8 4.82 165 165 A 39 CYS H A 35 LEU HA 1.0 1.8 5.06 166 166 A 30 THR H A 31 PHE H 1.0 1.8 4.00 167 167 A 30 THR H A 30 THR HB 1.0 1.8 4.18 168 168 A 86 ALA H A 87 GLY H 1.0 1.8 4.14 169 169 A 86 ALA H A 85 LEU H 1.0 1.8 4.35 170 170 A 59 ASP H A 58 LEU HBy 1.0 1.8 4.81 171 171 A 59 ASP H A 58 LEU HBx 1.0 1.8 4.81 172 172 A 93 PHE H A 106 TYR H 1.0 1.8 5.09 173 173 A 76 THR H A 76 THR HB 1.0 1.8 3.95 174 174 A 49 THR H A 52 GLU H 1.0 1.8 4.91 175 175 A 102 ALA HA A 104 ARG H 1.0 1.8 5.01 176 176 A 104 ARG H A 103 PRO HBy 1.0 1.8 4.81 177 177 A 104 ARG H A 103 PRO HBx 1.0 1.8 4.81 178 178 A 71 HIS HA A 75 GLY H 1.0 1.8 4.81 179 179 A 74 ILE HB A 75 GLY H 1.0 1.8 5.16 180 180 A 19 ARG H A 18 THR H 1.0 1.8 5.43 181 181 A 18 THR H A 17 SER HA 1.0 1.8 3.75 182 182 A 98 ASP H A 97 GLY H 1.0 1.8 4.30 183 183 A 97 GLY H A 98 ASP HBx 1.0 1.8 5.17 184 184 A 97 GLY H A 98 ASP HBy 1.0 1.8 5.17 185 185 A 39 CYS H A 40 SER H 1.0 1.8 4.16 186 186 A 96 GLY H A 94 ASP HBx 1.0 1.8 5.49 187 187 A 96 GLY H A 94 ASP HBy 1.0 1.8 5.49 188 188 A 95 GLU H A 96 GLY H 1.0 1.8 4.81 189 189 A 88 ASP H A 87 GLY H 1.0 1.8 3.79 190 190 A 84 ARG HA A 87 GLY H 1.0 1.8 4.76 191 191 A 21 ILE H A 42 PHE H 1.0 1.8 5.04 192 192 A 114 ASP H A 113 ASP H 1.0 1.8 3.75 193 193 A 99 GLU H A 100 VAL H 1.0 1.8 5.57 194 194 A 5 GLU H A 4 VAL H 1.0 1.8 4.80 195 195 A 109 PHE HA A 91 TYR H 1.0 1.8 5.43 196 196 A 90 VAL H A 91 TYR H 1.0 1.8 5.40 197 197 A 62 GLU H A 60 ALA H 1.0 1.8 5.15 198 198 A 23 ILE H A 24 THR H 1.0 1.8 5.42 199 199 A 84 ARG H A 81 LEU H 1.0 1.8 5.71 200 200 A 86 ALA H A 84 ARG H 1.0 1.8 5.25 201 201 A 57 VAL H A 59 ASP H 1.0 1.8 5.51 202 202 A 78 VAL H A 77 LYS H 1.0 1.8 4.41 203 203 A 4 VAL H A 3 LYS H 1.0 1.8 5.26 204 204 A 46 LYS H A 19 ARG H 1.0 1.8 5.64 205 205 A 71 HIS H A 75 GLY H 1.0 1.8 5.41 206 206 A 100 VAL H A 94 ASP H 1.0 1.8 5.42 207 207 A 99 GLU H A 98 ASP H 1.0 1.8 5.20 208 208 A 7 ASN H A 8 ASP H 1.0 1.8 4.29 209 209 A 20 LYS H A 44 VAL H 1.0 1.8 5.43 210 210 A 35 LEU H A 36 SER H 1.0 1.8 4.26 211 211 A 29 ALA H A 28 ASP H 1.0 1.8 5.57 212 212 A 19 ARG H A 44 VAL H 1.0 1.8 5.01 213 213 A 21 ILE H A 44 VAL H 1.0 1.8 5.53 214 214 A 111 ALA H A 110 SER H 1.0 1.8 4.97 215 215 A 51 ASP H A 49 THR H 1.0 1.8 5.65 216 216 A 61 VAL H A 63 SER H 1.0 1.8 5.52 217 217 A 38 ALA H A 40 SER H 1.0 1.8 5.22 218 218 A 98 ASP H A 96 GLY H 1.0 1.8 4.74 219 219 A 104 ARG H A 102 ALA H 1.0 1.8 5.41 220 220 A 113 ASP H A 111 ALA HA 1.0 1.8 4.58 221 221 A 51 ASP HA A 54 LEU H 1.0 1.8 5.74 222 222 A 53 LEU HA A 57 VAL H 1.0 1.8 5.20 223 223 A 71 HIS HA A 71 HIS HD2 1.0 1.8 4.39 224 224 A 92 LEU HA A 107 CYS HA 1.0 1.8 4.76 225 225 A 106 TYR HA A 106 TYR HD% 1.0 1.8 4.21 226 226 A 90 VAL HB A 108 SER HA 1.0 1.8 5.40 227 227 A 27 LEU HA A 26 ALA HB% 1.0 1.8 6.05 228 228 A 111 ALA HB% A 114 ASP HA 1.0 1.8 4.35 229 229 A 2 LYS HA A 2 LYS HEx 1.0 1.8 3.88 230 229 A 2 LYS HA A 2 LYS HEy 1.0 1.8 3.88 231 230 A 2 LYS HA A 1 GLY HAx 1.0 1.8 4.72 232 230 A 2 LYS HA A 1 GLY HAy 1.0 1.8 4.72 233 231 A 52 GLU HBy A 48 VAL HG1% 1.0 1.8 5.27 234 231 A 48 VAL HG2% A 52 GLU HBy 1.0 1.8 5.27 235 232 A 48 VAL HG1% A 52 GLU HBx 1.0 1.8 5.27 236 232 A 48 VAL HG2% A 52 GLU HBx 1.0 1.8 5.27 237 233 A 26 ALA HA A 27 LEU HA 1.0 1.8 5.56 238 234 A 27 LEU HA A 31 PHE HD% 1.0 1.8 6.02 239 235 A 99 GLU HA A 93 PHE HBx 1.0 1.8 5.64 240 236 A 99 GLU HA A 93 PHE HBy 1.0 1.8 5.64 241 237 A 99 GLU HA A 93 PHE HA 1.0 1.8 4.88 242 238 A 41 GLU HA A 42 PHE HA 1.0 1.8 5.73 243 239 A 41 GLU HA A 40 SER HBx 1.0 1.8 5.69 244 239 A 41 GLU HA A 40 SER HBy 1.0 1.8 5.69 245 240 A 43 GLU HA A 20 LYS HEx 1.0 1.8 5.63 246 240 A 20 LYS HEy A 43 GLU HA 1.0 1.8 5.63 247 241 A 41 GLU HA A 22 LYS HEx 1.0 1.8 5.13 248 241 A 41 GLU HA A 22 LYS HEy 1.0 1.8 5.13 249 242 A 20 LYS HA A 21 ILE HA 1.0 1.8 6.05 250 243 A 20 LYS HA A 20 LYS HEx 1.0 1.8 5.93 251 243 A 20 LYS HA A 20 LYS HEy 1.0 1.8 5.93 252 244 A 20 LYS HA A 43 GLU HBx 1.0 1.8 4.54 253 244 A 20 LYS HA A 43 GLU HBy 1.0 1.8 4.54 254 245 A 20 LYS HA A 44 VAL HG1% 1.0 1.8 5.90 255 246 A 20 LYS HA A 44 VAL HG2% 1.0 1.8 5.90 256 247 A 18 THR HA A 45 ASP HA 1.0 1.8 4.48 257 248 A 45 ASP HA A 18 THR HG2% 1.0 1.8 3.61 258 249 A 13 ARG HA A 13 ARG HDx 1.0 1.8 4.31 259 249 A 13 ARG HA A 13 ARG HDy 1.0 1.8 4.31 260 250 A 13 ARG HA A 12 VAL HG1% 1.0 1.8 5.22 261 250 A 13 ARG HA A 12 VAL HG2% 1.0 1.8 5.22 262 251 A 39 CYS HA A 38 ALA HB% 1.0 1.8 5.64 263 252 A 38 ALA HA A 39 CYS HA 1.0 1.8 5.54 264 253 A 60 ALA HA A 61 VAL HA 1.0 1.8 5.91 265 254 A 80 ALA HA A 83 ASP HBx 1.0 1.8 4.63 266 255 A 80 ALA HA A 83 ASP HBy 1.0 1.8 4.63 267 256 A 31 PHE HD% A 28 ASP HA 1.0 1.8 5.68 268 257 A 93 PHE HA A 99 GLU HGx 1.0 1.8 5.37 269 257 A 93 PHE HA A 99 GLU HGy 1.0 1.8 5.37 270 258 A 93 PHE HA A 50 LEU HD1% 1.0 1.8 5.65 271 259 A 9 LYS HA A 9 LYS HGx 1.0 1.8 4.17 272 260 A 9 LYS HA A 10 PRO HGx 1.0 1.8 4.46 273 260 A 9 LYS HA A 10 PRO HGy 1.0 1.8 4.46 274 261 A 9 LYS HA A 9 LYS HEx 1.0 1.8 5.78 275 261 A 9 LYS HA A 9 LYS HEy 1.0 1.8 5.78 276 262 A 104 ARG HA A 104 ARG HDx 1.0 1.8 4.68 277 263 A 22 LYS HA A 22 LYS HGx 1.0 1.8 4.02 278 263 A 22 LYS HA A 22 LYS HGy 1.0 1.8 4.02 279 264 A 92 LEU HA A 107 CYS HBx 1.0 1.8 5.82 280 264 A 92 LEU HA A 107 CYS HBy 1.0 1.8 5.82 281 265 A 86 ALA HA A 85 LEU HD1% 1.0 1.8 5.58 282 265 A 85 LEU HD2% A 86 ALA HA 1.0 1.8 5.58 283 266 A 88 ASP HA A 89 TYR HA 1.0 1.8 5.90 284 267 A 94 ASP HA A 102 ALA HB% 1.0 1.8 4.94 285 268 A 15 ILE HG1y A 16 PRO HDy 1.0 1.8 6.05 286 269 A 15 ILE HG1y A 16 PRO HDx 1.0 1.8 6.05 287 270 A 15 ILE HG2% A 16 PRO HDx 1.0 1.8 4.04 288 271 A 15 ILE HG2% A 16 PRO HDy 1.0 1.8 4.04 289 272 A 9 LYS HA A 10 PRO HDx 1.0 1.8 3.47 290 273 A 9 LYS HA A 10 PRO HDy 1.0 1.8 3.47 291 274 A 111 ALA HA A 106 TYR HE% 1.0 1.8 5.78 292 275 A 86 ALA HB% A 87 GLY HAy 1.0 1.8 5.63 293 276 A 86 ALA HB% A 87 GLY HAx 1.0 1.8 5.63 294 277 A 31 PHE HD% A 28 ASP HBy 1.0 1.8 5.50 295 278 A 31 PHE HD% A 28 ASP HBx 1.0 1.8 5.50 296 279 A 30 THR HG2% A 28 ASP HBx 1.0 1.8 6.05 297 280 A 30 THR HG2% A 28 ASP HBy 1.0 1.8 6.05 298 281 A 97 GLY HAy A 93 PHE HBx 1.0 1.8 5.92 299 282 A 93 PHE HBy A 97 GLY HAy 1.0 1.8 5.92 300 283 A 93 PHE HBy A 97 GLY HAx 1.0 1.8 5.92 301 284 A 93 PHE HBx A 97 GLY HAx 1.0 1.8 5.92 302 285 A 97 GLY HAx A 112 PRO HBy 1.0 1.8 5.53 303 286 A 92 LEU HD2% A 92 LEU HBy 1.0 1.8 4.08 304 286 A 92 LEU HBy A 92 LEU HD1% 1.0 1.8 4.08 305 287 A 92 LEU HD2% A 92 LEU HBx 1.0 1.8 4.08 306 287 A 92 LEU HBx A 92 LEU HD1% 1.0 1.8 4.08 307 288 A 107 CYS HA A 92 LEU HBx 1.0 1.8 6.05 308 289 A 107 CYS HA A 92 LEU HBy 1.0 1.8 6.05 309 290 A 19 ARG HA A 19 ARG HDx 1.0 1.8 5.25 310 290 A 19 ARG HA A 19 ARG HDy 1.0 1.8 5.25 311 291 A 20 LYS HBx A 20 LYS HEx 1.0 1.8 4.36 312 291 A 20 LYS HBy A 20 LYS HEx 1.0 1.8 4.36 313 291 A 20 LYS HEy A 20 LYS HBx 1.0 1.8 4.36 314 291 A 20 LYS HEy A 20 LYS HBy 1.0 1.8 4.36 315 292 A 13 ARG HDy A 13 ARG HBx 1.0 1.8 4.27 316 292 A 13 ARG HBx A 13 ARG HDx 1.0 1.8 4.27 317 293 A 104 ARG HA A 104 ARG HDy 1.0 1.8 4.68 318 294 A 104 ARG HDy A 103 PRO HBx 1.0 1.8 5.51 319 295 A 103 PRO HBx A 104 ARG HDx 1.0 1.8 5.51 320 296 A 104 ARG HDy A 95 GLU HGx 1.0 1.8 5.65 321 296 A 95 GLU HGy A 104 ARG HDy 1.0 1.8 5.65 322 297 A 103 PRO HBy A 104 ARG HDx 1.0 1.8 5.51 323 298 A 104 ARG HDy A 103 PRO HBy 1.0 1.8 5.51 324 299 A 100 VAL HB A 98 ASP HBx 1.0 1.8 5.02 325 300 A 53 LEU HD2% A 50 LEU HBy 1.0 1.8 4.72 326 300 A 50 LEU HBy A 53 LEU HD1% 1.0 1.8 4.72 327 301 A 53 LEU HD2% A 50 LEU HBx 1.0 1.8 4.72 328 301 A 50 LEU HBx A 53 LEU HD1% 1.0 1.8 4.72 329 302 A 20 LYS HDy A 43 GLU HBx 1.0 1.8 5.95 330 302 A 20 LYS HDx A 43 GLU HBx 1.0 1.8 5.95 331 302 A 43 GLU HBy A 20 LYS HDx 1.0 1.8 5.95 332 302 A 43 GLU HBy A 20 LYS HDy 1.0 1.8 5.95 333 303 A 21 ILE HG2% A 20 LYS HDx 1.0 1.8 6.05 334 303 A 20 LYS HDy A 21 ILE HG2% 1.0 1.8 6.05 335 304 A 92 LEU HD2% A 105 MET HBx 1.0 1.8 5.71 336 304 A 92 LEU HD1% A 105 MET HBx 1.0 1.8 5.71 337 304 A 105 MET HBy A 92 LEU HD1% 1.0 1.8 5.71 338 304 A 92 LEU HD2% A 105 MET HBy 1.0 1.8 5.71 339 305 A 15 ILE HB A 16 PRO HDy 1.0 1.8 5.26 340 306 A 15 ILE HB A 16 PRO HDx 1.0 1.8 5.26 341 307 A 99 GLU HGy A 50 LEU HD1% 1.0 1.8 4.69 342 307 A 50 LEU HD1% A 99 GLU HGx 1.0 1.8 4.69 343 308 A 99 GLU HA A 99 GLU HGx 1.0 1.8 4.35 344 308 A 99 GLU HA A 99 GLU HGy 1.0 1.8 4.35 345 309 A 98 ASP HA A 99 GLU HGx 1.0 1.8 5.98 346 309 A 98 ASP HA A 99 GLU HGy 1.0 1.8 5.98 347 310 A 95 GLU HGy A 104 ARG HBy 1.0 1.8 4.43 348 310 A 104 ARG HBy A 95 GLU HGx 1.0 1.8 4.43 349 311 A 95 GLU HGx A 104 ARG HDx 1.0 1.8 5.65 350 311 A 95 GLU HGy A 104 ARG HDx 1.0 1.8 5.65 351 312 A 104 ARG HA A 95 GLU HGx 1.0 1.8 5.89 352 312 A 104 ARG HA A 95 GLU HGy 1.0 1.8 5.89 353 313 A 22 LYS HGx A 41 GLU HGx 1.0 1.8 4.63 354 313 A 22 LYS HGy A 41 GLU HGx 1.0 1.8 4.63 355 313 A 41 GLU HGy A 22 LYS HGx 1.0 1.8 4.63 356 313 A 22 LYS HGy A 41 GLU HGy 1.0 1.8 4.63 357 314 A 41 GLU HA A 41 GLU HGx 1.0 1.8 4.61 358 314 A 41 GLU HA A 41 GLU HGy 1.0 1.8 4.61 359 315 A 70 GLU HA A 70 GLU HGx 1.0 1.8 3.60 360 315 A 70 GLU HA A 70 GLU HGy 1.0 1.8 3.60 361 316 A 62 GLU HBy A 62 GLU HGx 1.0 1.8 3.26 362 316 A 62 GLU HBx A 62 GLU HGx 1.0 1.8 3.26 363 316 A 62 GLU HGy A 62 GLU HBx 1.0 1.8 3.26 364 316 A 62 GLU HBy A 62 GLU HGy 1.0 1.8 3.26 365 317 A 58 LEU HG A 62 GLU HGx 1.0 1.8 5.52 366 317 A 62 GLU HGy A 58 LEU HG 1.0 1.8 5.52 367 318 A 62 GLU HA A 62 GLU HGx 1.0 1.8 4.48 368 318 A 62 GLU HGy A 62 GLU HA 1.0 1.8 4.48 369 319 A 100 VAL HB A 92 LEU HD1% 1.0 1.8 5.69 370 319 A 100 VAL HB A 92 LEU HD2% 1.0 1.8 5.69 371 320 A 100 VAL HB A 102 ALA HB% 1.0 1.8 5.47 372 321 A 100 VAL HB A 98 ASP HBy 1.0 1.8 5.02 373 322 A 5 GLU HA A 6 PHE HBx 1.0 1.8 6.05 374 323 A 5 GLU HA A 6 PHE HBy 1.0 1.8 6.05 375 324 A 52 GLU HA A 55 ASP HBy 1.0 1.8 4.96 376 325 A 2 LYS HDx A 2 LYS HEx 1.0 1.8 2.64 377 325 A 2 LYS HDy A 2 LYS HEx 1.0 1.8 2.64 378 325 A 2 LYS HEy A 2 LYS HDx 1.0 1.8 2.64 379 325 A 2 LYS HEy A 2 LYS HDy 1.0 1.8 2.64 380 326 A 6 PHE HD% A 2 LYS HEx 1.0 1.8 5.16 381 326 A 2 LYS HEy A 6 PHE HD% 1.0 1.8 5.16 382 327 A 22 LYS HA A 22 LYS HEx 1.0 1.8 4.84 383 327 A 22 LYS HEy A 22 LYS HA 1.0 1.8 4.84 384 328 A 22 LYS HEx A 41 GLU HGx 1.0 1.8 4.79 385 328 A 22 LYS HEy A 41 GLU HGx 1.0 1.8 4.79 386 328 A 41 GLU HGy A 22 LYS HEx 1.0 1.8 4.79 387 328 A 22 LYS HEy A 41 GLU HGy 1.0 1.8 4.79 388 329 A 22 LYS HEx A 22 LYS HGx 1.0 1.8 3.28 389 329 A 22 LYS HEy A 22 LYS HGx 1.0 1.8 3.28 390 329 A 22 LYS HGy A 22 LYS HEx 1.0 1.8 3.28 391 329 A 22 LYS HEy A 22 LYS HGy 1.0 1.8 3.28 392 330 A 21 ILE HA A 20 LYS HBx 1.0 1.8 5.86 393 330 A 21 ILE HA A 20 LYS HBy 1.0 1.8 5.86 394 331 A 19 ARG HA A 20 LYS HBx 1.0 1.8 5.87 395 331 A 19 ARG HA A 20 LYS HBy 1.0 1.8 5.87 396 332 A 20 LYS HBx A 43 GLU HBx 1.0 1.8 4.94 397 332 A 20 LYS HBy A 43 GLU HBx 1.0 1.8 4.94 398 332 A 43 GLU HBy A 20 LYS HBx 1.0 1.8 4.94 399 332 A 43 GLU HBy A 20 LYS HBy 1.0 1.8 4.94 400 333 A 19 ARG HDy A 19 ARG HBx 1.0 1.8 4.55 401 333 A 19 ARG HBx A 19 ARG HDx 1.0 1.8 4.55 402 334 A 19 ARG HDy A 19 ARG HBy 1.0 1.8 4.55 403 334 A 19 ARG HBy A 19 ARG HDx 1.0 1.8 4.55 404 335 A 34 VAL HA A 37 LYS HBx 1.0 1.8 4.73 405 336 A 3 LYS HBx A 3 LYS HGx 1.0 1.8 3.28 406 336 A 3 LYS HBy A 3 LYS HGx 1.0 1.8 3.28 407 336 A 3 LYS HGy A 3 LYS HBx 1.0 1.8 3.28 408 336 A 3 LYS HBy A 3 LYS HGy 1.0 1.8 3.28 409 337 A 31 PHE HA A 34 VAL HB 1.0 1.8 4.75 410 338 A 68 CYS HBx A 77 LYS HBx 1.0 1.8 5.48 411 338 A 68 CYS HBy A 77 LYS HBx 1.0 1.8 5.48 412 338 A 77 LYS HBy A 68 CYS HBx 1.0 1.8 5.48 413 338 A 68 CYS HBy A 77 LYS HBy 1.0 1.8 5.48 414 339 A 34 VAL HB A 31 PHE HD% 1.0 1.8 5.07 415 340 A 34 VAL HB A 35 LEU HD1% 1.0 1.8 5.07 416 340 A 34 VAL HB A 35 LEU HD2% 1.0 1.8 5.07 417 341 A 9 LYS HEy A 9 LYS HBy 1.0 1.8 5.28 418 341 A 9 LYS HBy A 9 LYS HEx 1.0 1.8 5.28 419 342 A 9 LYS HEy A 9 LYS HBx 1.0 1.8 5.28 420 342 A 9 LYS HBx A 9 LYS HEx 1.0 1.8 5.28 421 343 A 78 VAL HB A 75 GLY HAx 1.0 1.8 4.71 422 343 A 78 VAL HB A 75 GLY HAy 1.0 1.8 4.71 423 344 A 13 ARG HDy A 13 ARG HBy 1.0 1.8 4.27 424 344 A 13 ARG HBy A 13 ARG HDx 1.0 1.8 4.27 425 345 A 97 GLY HAy A 112 PRO HBy 1.0 1.8 5.53 426 346 A 112 PRO HBx A 97 GLY HAx 1.0 1.8 5.53 427 347 A 97 GLY HAy A 112 PRO HBx 1.0 1.8 5.53 428 348 A 2 LYS HA A 2 LYS HDx 1.0 1.8 3.64 429 348 A 2 LYS HA A 2 LYS HDy 1.0 1.8 3.64 430 349 A 6 PHE HD% A 2 LYS HDx 1.0 1.8 5.75 431 349 A 2 LYS HDy A 6 PHE HD% 1.0 1.8 5.75 432 350 A 15 ILE HG2% A 10 PRO HGx 1.0 1.8 4.77 433 350 A 10 PRO HGy A 15 ILE HG2% 1.0 1.8 4.77 434 351 A 15 ILE HG2% A 16 PRO HGx 1.0 1.8 5.09 435 351 A 15 ILE HG2% A 16 PRO HGy 1.0 1.8 5.09 436 352 A 50 LEU HA A 50 LEU HG 1.0 1.8 4.62 437 353 A 50 LEU HG A 51 ASP HA 1.0 1.8 5.54 438 354 A 16 PRO HDx A 15 ILE HG1x 1.0 1.8 6.05 439 355 A 15 ILE HG1x A 16 PRO HDy 1.0 1.8 6.05 440 356 A 92 LEU HA A 92 LEU HG 1.0 1.8 4.42 441 357 A 77 LYS HA A 77 LYS HGy 1.0 1.8 4.55 442 358 A 77 LYS HA A 77 LYS HGx 1.0 1.8 4.55 443 359 A 68 CYS HBy A 77 LYS HGy 1.0 1.8 4.37 444 359 A 77 LYS HGy A 68 CYS HBx 1.0 1.8 4.37 445 360 A 68 CYS HBy A 77 LYS HGx 1.0 1.8 4.37 446 360 A 68 CYS HBx A 77 LYS HGx 1.0 1.8 4.37 447 361 A 99 GLU HGy A 50 LEU HD2% 1.0 1.8 4.69 448 361 A 50 LEU HD2% A 99 GLU HGx 1.0 1.8 4.69 449 362 A 93 PHE HA A 50 LEU HD2% 1.0 1.8 5.65 450 363 A 105 MET HE1 A 92 LEU HD1% 1.0 1.8 4.54 451 363 A 92 LEU HD2% A 105 MET HE1 1.0 1.8 4.54 452 364 A 92 LEU HD1% A 107 CYS HBx 1.0 1.8 3.82 453 364 A 92 LEU HD2% A 107 CYS HBx 1.0 1.8 3.82 454 364 A 107 CYS HBy A 92 LEU HD1% 1.0 1.8 3.82 455 364 A 107 CYS HBy A 92 LEU HD2% 1.0 1.8 3.82 456 365 A 100 VAL HA A 92 LEU HD1% 1.0 1.8 6.01 457 365 A 92 LEU HD2% A 100 VAL HA 1.0 1.8 6.01 458 366 A 92 LEU HA A 92 LEU HD1% 1.0 1.8 3.94 459 366 A 92 LEU HA A 92 LEU HD2% 1.0 1.8 3.94 460 367 A 69 LYS HA A 78 VAL HG1% 1.0 1.8 4.68 461 368 A 81 LEU HA A 84 ARG HGx 1.0 1.8 3.83 462 368 A 81 LEU HA A 84 ARG HGy 1.0 1.8 3.83 463 369 A 89 TYR HA A 84 ARG HGx 1.0 1.8 5.01 464 369 A 89 TYR HA A 84 ARG HGy 1.0 1.8 5.01 465 370 A 84 ARG HA A 84 ARG HGx 1.0 1.8 4.65 466 370 A 84 ARG HA A 84 ARG HGy 1.0 1.8 4.65 467 371 A 81 LEU H A 84 ARG HGx 1.0 1.8 5.18 468 371 A 81 LEU H A 84 ARG HGy 1.0 1.8 5.18 469 372 A 49 THR HG2% A 48 VAL HG1% 1.0 1.8 4.53 470 372 A 48 VAL HG2% A 49 THR HG2% 1.0 1.8 4.53 471 373 A 9 LYS HA A 9 LYS HGy 1.0 1.8 4.17 472 374 A 95 GLU HGx A 104 ARG HBx 1.0 1.8 4.43 473 374 A 95 GLU HGy A 104 ARG HBx 1.0 1.8 4.43 474 375 A 100 VAL HA A 100 VAL HG2% 1.0 1.8 3.89 475 376 A 18 THR HA A 18 THR HG2% 1.0 1.8 3.50 476 377 A 109 PHE HA A 91 TYR HD% 1.0 1.8 5.22 477 378 A 90 VAL HA A 109 PHE HA 1.0 1.8 5.13 478 379 A 107 CYS HA A 92 LEU HG 1.0 1.8 5.32 479 380 A 107 CYS HA A 92 LEU HD1% 1.0 1.8 3.96 480 380 A 107 CYS HA A 92 LEU HD2% 1.0 1.8 3.96 481 381 A 107 CYS HA A 105 MET HE1 1.0 1.8 5.73 482 382 A 106 TYR HA A 105 MET HE1 1.0 1.8 5.80 483 383 A 86 ALA HB% A 83 ASP HA 1.0 1.8 4.18 484 384 A 53 LEU HA A 57 VAL HG1% 1.0 1.8 4.54 485 384 A 53 LEU HA A 57 VAL HG2% 1.0 1.8 4.54 486 385 A 53 LEU HA A 48 VAL HG1% 1.0 1.8 4.58 487 385 A 53 LEU HA A 48 VAL HG2% 1.0 1.8 4.58 488 386 A 53 LEU HA A 57 VAL HB 1.0 1.8 5.15 489 387 A 35 LEU HA A 38 ALA HB% 1.0 1.8 4.11 490 388 A 51 ASP HA A 54 LEU HBx 1.0 1.8 5.04 491 388 A 51 ASP HA A 54 LEU HBy 1.0 1.8 5.04 492 389 A 85 LEU HA A 85 LEU HD1% 1.0 1.8 3.93 493 389 A 85 LEU HD2% A 85 LEU HA 1.0 1.8 3.93 494 390 A 6 PHE HD% A 6 PHE HA 1.0 1.8 4.23 495 391 A 110 SER HA A 106 TYR HE% 1.0 1.8 5.05 496 392 A 110 SER HA A 91 TYR HD% 1.0 1.8 5.36 497 393 A 110 SER HA A 111 ALA HB% 1.0 1.8 5.17 498 394 A 37 LYS HA A 37 LYS HGx 1.0 1.8 4.08 499 394 A 37 LYS HA A 37 LYS HGy 1.0 1.8 4.08 500 395 A 21 ILE HD1% A 23 ILE HA 1.0 1.8 4.80 501 396 A 105 MET HE1 A 23 ILE HA 1.0 1.8 4.72 502 397 A 54 LEU HA A 54 LEU HD1% 1.0 1.8 3.33 503 397 A 54 LEU HA A 54 LEU HD2% 1.0 1.8 3.33 504 398 A 44 VAL HA A 44 VAL HG1% 1.0 1.8 4.43 505 399 A 44 VAL HA A 44 VAL HG2% 1.0 1.8 4.43 506 400 A 15 ILE HA A 15 ILE HG2% 1.0 1.8 3.63 507 401 A 15 ILE HA A 15 ILE HG1x 1.0 1.8 4.65 508 402 A 15 ILE HA A 15 ILE HG1y 1.0 1.8 4.65 509 403 A 15 ILE HA A 10 PRO HGx 1.0 1.8 4.49 510 403 A 15 ILE HA A 10 PRO HGy 1.0 1.8 4.49 511 404 A 15 ILE HA A 16 PRO HDy 1.0 1.8 3.81 512 405 A 15 ILE HA A 16 PRO HDx 1.0 1.8 3.81 513 406 A 52 GLU HA A 55 ASP HBx 1.0 1.8 4.96 514 407 A 31 PHE HA A 30 THR HG2% 1.0 1.8 4.95 515 408 A 31 PHE HA A 34 VAL HG1% 1.0 1.8 5.14 516 409 A 31 PHE HA A 34 VAL HG2% 1.0 1.8 5.14 517 410 A 95 GLU HA A 95 GLU HGx 1.0 1.8 3.99 518 410 A 95 GLU HGy A 95 GLU HA 1.0 1.8 3.99 519 411 A 50 LEU HA A 53 LEU HD1% 1.0 1.8 4.30 520 411 A 50 LEU HA A 53 LEU HD2% 1.0 1.8 4.30 521 412 A 77 LYS HA A 68 CYS HBx 1.0 1.8 5.47 522 412 A 77 LYS HA A 68 CYS HBy 1.0 1.8 5.47 523 413 A 89 TYR HA A 89 TYR HD% 1.0 1.8 4.52 524 414 A 49 THR HG2% A 49 THR HA 1.0 1.8 3.82 525 415 A 69 LYS HA A 78 VAL HG2% 1.0 1.8 4.68 526 416 A 69 LYS HA A 75 GLY HAx 1.0 1.8 4.64 527 416 A 69 LYS HA A 75 GLY HAy 1.0 1.8 4.64 528 417 A 69 LYS HA A 78 VAL HB 1.0 1.8 4.83 529 418 A 81 LEU HA A 84 ARG HA 1.0 1.8 5.58 530 419 A 21 ILE HA A 21 ILE HG2% 1.0 1.8 3.94 531 420 A 102 ALA HB% A 101 ILE HA 1.0 1.8 4.80 532 421 A 90 VAL HA A 90 VAL HG2% 1.0 1.8 3.93 533 422 A 74 ILE HA A 74 ILE HG2% 1.0 1.8 3.75 534 423 A 90 VAL HA A 90 VAL HG1% 1.0 1.8 3.93 535 424 A 90 VAL HA A 109 PHE HD% 1.0 1.8 5.36 536 425 A 16 PRO HA A 15 ILE HG2% 1.0 1.8 5.31 537 426 A 102 ALA HB% A 103 PRO HA 1.0 1.8 5.17 538 427 A 34 VAL HA A 34 VAL HG1% 1.0 1.8 3.74 539 428 A 34 VAL HA A 37 LYS HBy 1.0 1.8 4.73 540 429 A 55 ASP HA A 56 VAL HA 1.0 1.8 5.13 541 430 A 61 VAL HA A 60 ALA HB% 1.0 1.8 4.19 542 431 A 78 VAL HA A 77 LYS HDx 1.0 1.8 5.05 543 431 A 77 LYS HDy A 78 VAL HA 1.0 1.8 5.05 544 432 A 57 VAL HA A 57 VAL HG1% 1.0 1.8 3.39 545 432 A 57 VAL HG2% A 57 VAL HA 1.0 1.8 3.39 546 433 A 76 THR HA A 76 THR HG2% 1.0 1.8 3.28 547 434 A 54 LEU HBy A 54 LEU HD1% 1.0 1.8 3.39 548 434 A 54 LEU HD2% A 54 LEU HBx 1.0 1.8 3.39 549 434 A 54 LEU HBy A 54 LEU HD2% 1.0 1.8 3.39 550 434 A 54 LEU HBx A 54 LEU HD1% 1.0 1.8 3.39 551 435 A 30 THR HG2% A 30 THR HA 1.0 1.8 3.50 552 436 A 100 VAL HA A 100 VAL HG1% 1.0 1.8 3.89 553 437 A 34 VAL HA A 34 VAL HG2% 1.0 1.8 3.74 554 438 A 39 CYS HA A 60 ALA HB% 1.0 1.8 4.73 555 439 A 60 ALA HB% A 39 CYS HBy 1.0 1.8 4.29 556 440 A 60 ALA HB% A 39 CYS HBx 1.0 1.8 4.29 557 441 A 60 ALA HB% A 61 VAL HG1% 1.0 1.8 3.96 558 441 A 60 ALA HB% A 61 VAL HG2% 1.0 1.8 3.96 559 442 A 30 THR HA A 29 ALA HB% 1.0 1.8 4.93 560 443 A 30 THR HG2% A 29 ALA HB% 1.0 1.8 5.18 561 444 A 26 ALA HB% A 25 PHE HD% 1.0 1.8 4.95 562 445 A 21 ILE HG2% A 21 ILE HD1% 1.0 1.8 3.95 563 446 A 105 MET HE1 A 107 CYS HBx 1.0 1.8 4.00 564 446 A 107 CYS HBy A 105 MET HE1 1.0 1.8 4.00 565 447 A 105 MET HE1 A 105 MET HGx 1.0 1.8 3.99 566 447 A 105 MET HE1 A 105 MET HGy 1.0 1.8 3.99 567 448 A 105 MET HE1 A 101 ILE HG2% 1.0 1.8 4.11 568 449 A 105 MET HE1 A 21 ILE HD1% 1.0 1.8 3.65 569 450 A 21 ILE HA A 23 ILE HD1% 1.0 1.8 4.05 570 451 A 74 ILE HB A 74 ILE HD1% 1.0 1.8 3.75 571 452 A 74 ILE HA A 74 ILE HD1% 1.0 1.8 4.36 572 453 A 15 ILE HB A 15 ILE HD1% 1.0 1.8 3.51 573 454 A 50 LEU HA A 101 ILE HD1% 1.0 1.8 3.63 574 455 A 101 ILE HD1% A 49 THR HB 1.0 1.8 4.25 575 456 A 15 ILE HA A 15 ILE HD1% 1.0 1.8 4.17 576 457 A 15 ILE HD1% A 16 PRO HDy 1.0 1.8 4.91 577 458 A 15 ILE HD1% A 16 PRO HDx 1.0 1.8 4.91 578 459 A 54 LEU HA A 53 LEU HD1% 1.0 1.8 4.52 579 459 A 54 LEU HA A 53 LEU HD2% 1.0 1.8 4.52 580 460 A 102 ALA H A 92 LEU HD1% 1.0 1.8 3.98 581 460 A 102 ALA H A 92 LEU HD2% 1.0 1.8 3.98 582 461 A 102 ALA H A 102 ALA HB% 1.0 1.8 4.18 583 462 A 29 ALA H A 29 ALA HB% 1.0 1.8 3.77 584 463 A 29 ALA H A 28 ASP HBx 1.0 1.8 5.36 585 464 A 29 ALA H A 28 ASP HBy 1.0 1.8 5.36 586 465 A 29 ALA H A 30 THR H 1.0 1.8 4.81 587 466 A 26 ALA H A 26 ALA HB% 1.0 1.8 4.37 588 467 A 22 LYS H A 22 LYS HBy 1.0 1.8 4.50 589 468 A 22 LYS H A 22 LYS HBx 1.0 1.8 4.50 590 469 A 22 LYS H A 21 ILE HG2% 1.0 1.8 4.40 591 470 A 111 ALA H A 106 TYR HE% 1.0 1.8 5.32 592 471 A 110 SER HA A 111 ALA H 1.0 1.8 3.51 593 472 A 111 ALA H A 111 ALA HB% 1.0 1.8 3.42 594 473 A 21 ILE H A 20 LYS HBx 1.0 1.8 4.28 595 473 A 21 ILE H A 20 LYS HBy 1.0 1.8 4.28 596 474 A 12 VAL HA A 13 ARG H 1.0 1.8 3.82 597 475 A 13 ARG H A 12 VAL HG1% 1.0 1.8 4.43 598 475 A 13 ARG H A 12 VAL HG2% 1.0 1.8 4.43 599 476 A 25 PHE H A 26 ALA H 1.0 1.8 5.41 600 477 A 25 PHE H A 25 PHE HD% 1.0 1.8 4.88 601 478 A 113 ASP HA A 114 ASP H 1.0 1.8 3.33 602 479 A 114 ASP H A 112 PRO HDx 1.0 1.8 4.88 603 479 A 114 ASP H A 112 PRO HDy 1.0 1.8 4.88 604 480 A 114 ASP H A 111 ALA HB% 1.0 1.8 4.83 605 481 A 98 ASP HA A 99 GLU H 1.0 1.8 3.82 606 482 A 99 GLU H A 99 GLU HGx 1.0 1.8 3.83 607 482 A 99 GLU H A 99 GLU HGy 1.0 1.8 3.83 608 483 A 43 GLU H A 43 GLU HBx 1.0 1.8 4.35 609 483 A 43 GLU HBy A 43 GLU H 1.0 1.8 4.35 610 484 A 13 ARG HA A 14 LYS H 1.0 1.8 3.53 611 485 A 4 VAL HA A 5 GLU H 1.0 1.8 3.34 612 486 A 14 LYS HA A 15 ILE H 1.0 1.8 3.53 613 487 A 15 ILE HB A 15 ILE H 1.0 1.8 3.93 614 488 A 15 ILE H A 15 ILE HG1y 1.0 1.8 4.62 615 489 A 15 ILE H A 15 ILE HG1x 1.0 1.8 4.62 616 490 A 15 ILE H A 15 ILE HG2% 1.0 1.8 4.80 617 491 A 27 LEU H A 26 ALA HB% 1.0 1.8 4.64 618 492 A 90 VAL H A 89 TYR HBy 1.0 1.8 4.61 619 493 A 90 VAL H A 89 TYR HBx 1.0 1.8 4.61 620 494 A 90 VAL HB A 90 VAL H 1.0 1.8 4.28 621 495 A 90 VAL H A 90 VAL HG1% 1.0 1.8 4.89 622 496 A 90 VAL H A 90 VAL HG2% 1.0 1.8 4.89 623 497 A 90 VAL HB A 91 TYR H 1.0 1.8 5.32 624 498 A 91 TYR H A 90 VAL HG1% 1.0 1.8 4.61 625 499 A 91 TYR H A 90 VAL HG2% 1.0 1.8 4.61 626 500 A 31 PHE H A 32 ASP H 1.0 1.8 4.16 627 501 A 3 LYS H A 3 LYS HBx 1.0 1.8 3.74 628 501 A 3 LYS H A 3 LYS HBy 1.0 1.8 3.74 629 502 A 14 LYS H A 14 LYS HGx 1.0 1.8 5.08 630 502 A 14 LYS H A 14 LYS HGy 1.0 1.8 5.08 631 503 A 60 ALA H A 60 ALA HB% 1.0 1.8 3.90 632 504 A 60 ALA H A 61 VAL HG1% 1.0 1.8 4.60 633 504 A 60 ALA H A 61 VAL HG2% 1.0 1.8 4.60 634 505 A 34 VAL H A 35 LEU H 1.0 1.8 4.48 635 506 A 34 VAL H A 33 SER H 1.0 1.8 4.63 636 507 A 34 VAL HB A 34 VAL H 1.0 1.8 4.11 637 508 A 34 VAL H A 34 VAL HG1% 1.0 1.8 4.38 638 509 A 34 VAL H A 34 VAL HG2% 1.0 1.8 4.38 639 510 A 34 VAL H A 35 LEU HD1% 1.0 1.8 4.91 640 510 A 34 VAL H A 35 LEU HD2% 1.0 1.8 4.91 641 511 A 88 ASP H A 89 TYR H 1.0 1.8 4.76 642 512 A 88 ASP H A 86 ALA H 1.0 1.8 4.80 643 513 A 84 ARG HA A 88 ASP H 1.0 1.8 4.54 644 514 A 88 ASP H A 88 ASP HBx 1.0 1.8 3.69 645 514 A 88 ASP H A 88 ASP HBy 1.0 1.8 3.69 646 515 A 88 ASP H A 86 ALA HB% 1.0 1.8 4.93 647 516 A 50 LEU H A 51 ASP H 1.0 1.8 4.40 648 517 A 50 LEU H A 50 LEU HBy 1.0 1.8 4.10 649 518 A 50 LEU H A 50 LEU HBx 1.0 1.8 4.10 650 519 A 50 LEU H A 49 THR HG2% 1.0 1.8 4.19 651 520 A 61 VAL H A 62 GLU H 1.0 1.8 4.65 652 521 A 61 VAL H A 60 ALA H 1.0 1.8 4.40 653 522 A 61 VAL H A 60 ALA HB% 1.0 1.8 4.19 654 523 A 78 VAL H A 77 LYS HGy 1.0 1.8 5.30 655 524 A 78 VAL H A 77 LYS HGx 1.0 1.8 5.30 656 525 A 57 VAL H A 57 VAL HG1% 1.0 1.8 4.72 657 525 A 57 VAL H A 57 VAL HG2% 1.0 1.8 4.72 658 526 A 57 VAL H A 56 VAL HG1% 1.0 1.8 4.08 659 526 A 57 VAL H A 56 VAL HG2% 1.0 1.8 4.08 660 527 A 84 ARG H A 85 LEU H 1.0 1.8 4.16 661 528 A 84 ARG H A 83 ASP HBy 1.0 1.8 4.50 662 529 A 84 ARG H A 83 ASP HBx 1.0 1.8 4.50 663 530 A 84 ARG H A 84 ARG HBy 1.0 1.8 4.15 664 531 A 84 ARG H A 84 ARG HBx 1.0 1.8 4.15 665 532 A 84 ARG H A 80 ALA HB% 1.0 1.8 4.88 666 533 A 84 ARG H A 84 ARG HGx 1.0 1.8 4.55 667 533 A 84 ARG H A 84 ARG HGy 1.0 1.8 4.55 668 534 A 76 THR H A 77 LYS H 1.0 1.8 4.41 669 535 A 77 LYS H A 77 LYS HBx 1.0 1.8 4.11 670 535 A 77 LYS H A 77 LYS HBy 1.0 1.8 4.11 671 536 A 77 LYS H A 77 LYS HGy 1.0 1.8 4.75 672 537 A 77 LYS H A 77 LYS HGx 1.0 1.8 4.75 673 538 A 77 LYS H A 76 THR HG2% 1.0 1.8 5.09 674 539 A 11 LYS H A 12 VAL H 1.0 1.8 4.40 675 540 A 11 LYS H A 10 PRO HA 1.0 1.8 3.29 676 541 A 9 LYS H A 8 ASP HBx 1.0 1.8 4.27 677 541 A 8 ASP HBy A 9 LYS H 1.0 1.8 4.27 678 542 A 18 THR HA A 46 LYS H 1.0 1.8 4.76 679 543 A 46 LYS H A 18 THR HG2% 1.0 1.8 4.99 680 544 A 44 VAL HB A 45 ASP H 1.0 1.8 4.46 681 545 A 5 GLU HA A 6 PHE H 1.0 1.8 3.33 682 546 A 70 GLU H A 71 HIS H 1.0 1.8 4.42 683 547 A 71 HIS H A 72 ASP H 1.0 1.8 5.16 684 548 A 71 HIS H A 75 GLY HAx 1.0 1.8 4.71 685 548 A 71 HIS H A 75 GLY HAy 1.0 1.8 4.71 686 549 A 71 HIS H A 74 ILE HB 1.0 1.8 5.02 687 550 A 48 VAL H A 49 THR H 1.0 1.8 4.91 688 551 A 48 VAL H A 47 ASP H 1.0 1.8 3.97 689 552 A 48 VAL H A 48 VAL HB 1.0 1.8 3.88 690 553 A 48 VAL H A 48 VAL HG1% 1.0 1.8 3.82 691 553 A 48 VAL H A 48 VAL HG2% 1.0 1.8 3.82 692 554 A 12 VAL H A 11 LYS HA 1.0 1.8 3.92 693 555 A 12 VAL H A 12 VAL HB 1.0 1.8 4.55 694 556 A 12 VAL H A 12 VAL HG1% 1.0 1.8 4.44 695 556 A 12 VAL H A 12 VAL HG2% 1.0 1.8 4.44 696 557 A 100 VAL HB A 100 VAL H 1.0 1.8 4.58 697 558 A 100 VAL H A 99 GLU HGx 1.0 1.8 4.73 698 558 A 100 VAL H A 99 GLU HGy 1.0 1.8 4.73 699 559 A 93 PHE HA A 100 VAL H 1.0 1.8 5.16 700 560 A 100 VAL H A 101 ILE H 1.0 1.8 4.94 701 561 A 109 PHE H A 110 SER H 1.0 1.8 4.14 702 562 A 101 ILE H A 101 ILE HB 1.0 1.8 4.13 703 563 A 100 VAL HB A 101 ILE H 1.0 1.8 4.59 704 564 A 8 ASP H A 8 ASP HBx 1.0 1.8 3.71 705 564 A 8 ASP H A 8 ASP HBy 1.0 1.8 3.71 706 565 A 20 LYS H A 21 ILE H 1.0 1.8 5.10 707 566 A 20 LYS H A 20 LYS HBx 1.0 1.8 3.72 708 566 A 20 LYS H A 20 LYS HBy 1.0 1.8 3.72 709 567 A 94 ASP H A 98 ASP H 1.0 1.8 5.12 710 568 A 98 ASP H A 98 ASP HBy 1.0 1.8 4.20 711 569 A 98 ASP H A 98 ASP HBx 1.0 1.8 4.20 712 570 A 108 SER H A 107 CYS HBx 1.0 1.8 4.86 713 570 A 108 SER H A 107 CYS HBy 1.0 1.8 4.86 714 571 A 92 LEU HG A 108 SER H 1.0 1.8 5.56 715 572 A 108 SER H A 90 VAL HG1% 1.0 1.8 5.12 716 573 A 108 SER H A 92 LEU HD1% 1.0 1.8 4.69 717 573 A 108 SER H A 92 LEU HD2% 1.0 1.8 4.69 718 574 A 108 SER H A 90 VAL HG2% 1.0 1.8 5.12 719 575 A 94 ASP H A 102 ALA HB% 1.0 1.8 5.46 720 576 A 27 LEU H A 28 ASP H 1.0 1.8 4.14 721 577 A 26 ALA HA A 28 ASP H 1.0 1.8 5.01 722 578 A 28 ASP H A 27 LEU HBy 1.0 1.8 4.69 723 579 A 28 ASP H A 27 LEU HBx 1.0 1.8 4.69 724 580 A 18 THR HB A 19 ARG H 1.0 1.8 5.25 725 581 A 57 VAL H A 58 LEU H 1.0 1.8 4.54 726 582 A 58 LEU H A 54 LEU HA 1.0 1.8 4.81 727 583 A 90 VAL H A 89 TYR H 1.0 1.8 4.87 728 584 A 89 TYR H A 89 TYR HE% 1.0 1.8 4.95 729 585 A 88 ASP HA A 89 TYR H 1.0 1.8 3.72 730 586 A 89 TYR H A 89 TYR HBy 1.0 1.8 3.83 731 587 A 89 TYR H A 89 TYR HBx 1.0 1.8 3.83 732 588 A 38 ALA H A 39 CYS H 1.0 1.8 4.04 733 589 A 38 ALA H A 37 LYS H 1.0 1.8 4.02 734 590 A 38 ALA H A 35 LEU HA 1.0 1.8 5.05 735 591 A 38 ALA H A 38 ALA HB% 1.0 1.8 3.65 736 592 A 40 SER H A 41 GLU H 1.0 1.8 3.67 737 593 A 41 GLU H A 41 GLU HGx 1.0 1.8 4.84 738 593 A 41 GLU H A 41 GLU HGy 1.0 1.8 4.84 739 594 A 51 ASP H A 52 GLU H 1.0 1.8 4.31 740 595 A 52 GLU H A 52 GLU HBy 1.0 1.8 4.32 741 596 A 52 GLU H A 52 GLU HBx 1.0 1.8 4.32 742 597 A 57 VAL H A 56 VAL H 1.0 1.8 4.49 743 598 A 56 VAL H A 57 VAL HG1% 1.0 1.8 3.78 744 598 A 56 VAL H A 57 VAL HG2% 1.0 1.8 3.78 745 599 A 107 CYS H A 107 CYS HBx 1.0 1.8 4.19 746 599 A 107 CYS HBy A 107 CYS H 1.0 1.8 4.19 747 600 A 107 CYS H A 92 LEU HD1% 1.0 1.8 5.35 748 600 A 92 LEU HD2% A 107 CYS H 1.0 1.8 5.35 749 601 A 69 LYS H A 68 CYS HBx 1.0 1.8 5.07 750 601 A 68 CYS HBy A 69 LYS H 1.0 1.8 5.07 751 602 A 62 GLU H A 62 GLU HBx 1.0 1.8 3.66 752 602 A 62 GLU H A 62 GLU HBy 1.0 1.8 3.66 753 603 A 62 GLU H A 61 VAL HG1% 1.0 1.8 4.88 754 603 A 62 GLU H A 61 VAL HG2% 1.0 1.8 4.88 755 604 A 54 LEU H A 54 LEU HBx 1.0 1.8 4.40 756 604 A 54 LEU H A 54 LEU HBy 1.0 1.8 4.40 757 605 A 46 LYS H A 47 ASP H 1.0 1.8 4.53 758 606 A 85 LEU H A 85 LEU HD1% 1.0 1.8 3.87 759 606 A 85 LEU H A 85 LEU HD2% 1.0 1.8 3.87 760 607 A 44 VAL H A 43 GLU HBx 1.0 1.8 4.28 761 607 A 44 VAL H A 43 GLU HBy 1.0 1.8 4.28 762 608 A 44 VAL H A 20 LYS HBx 1.0 1.8 4.89 763 608 A 44 VAL H A 20 LYS HBy 1.0 1.8 4.89 764 609 A 44 VAL H A 44 VAL HG2% 1.0 1.8 4.40 765 610 A 44 VAL H A 44 VAL HG1% 1.0 1.8 4.40 766 611 A 19 ARG H A 18 THR HG2% 1.0 1.8 5.20 767 612 A 34 VAL HA A 37 LYS H 1.0 1.8 4.95 768 613 A 37 LYS H A 36 SER H 1.0 1.8 4.36 769 614 A 39 CYS H A 37 LYS H 1.0 1.8 5.12 770 615 A 63 SER H A 64 THR H 1.0 1.8 4.38 771 616 A 78 VAL HB A 79 CYS H 1.0 1.8 4.58 772 617 A 108 SER HA A 110 SER H 1.0 1.8 4.79 773 618 A 17 SER H A 18 THR H 1.0 1.8 4.30 774 619 A 17 SER H A 16 PRO HA 1.0 1.8 3.55 775 620 A 17 SER H A 16 PRO HBy 1.0 1.8 4.75 776 621 A 17 SER H A 16 PRO HBx 1.0 1.8 4.75 777 622 A 17 SER H A 18 THR HG2% 1.0 1.8 5.26 778 623 A 65 LEU H A 66 SER H 1.0 1.8 4.47 779 624 A 66 SER H A 65 LEU HG 1.0 1.8 4.88 780 625 A 95 GLU H A 94 ASP HBy 1.0 1.8 4.82 781 626 A 95 GLU H A 94 ASP HBx 1.0 1.8 4.82 782 627 A 95 GLU H A 95 GLU HGx 1.0 1.8 4.48 783 627 A 95 GLU H A 95 GLU HGy 1.0 1.8 4.48 784 628 A 63 SER H A 62 GLU HBx 1.0 1.8 4.11 785 628 A 63 SER H A 62 GLU HBy 1.0 1.8 4.11 786 629 A 39 CYS H A 35 LEU HA 1.0 1.8 5.06 787 630 A 30 THR H A 31 PHE H 1.0 1.8 4.00 788 631 A 30 THR H A 30 THR HB 1.0 1.8 4.18 789 632 A 30 THR H A 30 THR HG2% 1.0 1.8 4.46 790 633 A 65 LEU H A 65 LEU HBx 1.0 1.8 4.38 791 633 A 65 LEU H A 65 LEU HBy 1.0 1.8 4.38 792 634 A 86 ALA H A 87 GLY H 1.0 1.8 4.14 793 635 A 86 ALA H A 85 LEU H 1.0 1.8 4.35 794 636 A 86 ALA H A 86 ALA HB% 1.0 1.8 3.45 795 637 A 86 ALA H A 85 LEU HD1% 1.0 1.8 4.36 796 637 A 86 ALA H A 85 LEU HD2% 1.0 1.8 4.36 797 638 A 59 ASP H A 58 LEU HBy 1.0 1.8 4.81 798 639 A 59 ASP H A 58 LEU HBx 1.0 1.8 4.81 799 640 A 59 ASP H A 57 VAL HG1% 1.0 1.8 5.14 800 640 A 59 ASP H A 57 VAL HG2% 1.0 1.8 5.14 801 641 A 93 PHE H A 106 TYR H 1.0 1.8 5.09 802 642 A 93 PHE H A 92 LEU HD1% 1.0 1.8 4.47 803 642 A 93 PHE H A 92 LEU HD2% 1.0 1.8 4.47 804 643 A 93 PHE H A 107 CYS HBx 1.0 1.8 5.06 805 643 A 93 PHE H A 107 CYS HBy 1.0 1.8 5.06 806 644 A 76 THR H A 76 THR HG2% 1.0 1.8 4.15 807 645 A 76 THR H A 77 LYS HBx 1.0 1.8 5.15 808 645 A 76 THR H A 77 LYS HBy 1.0 1.8 5.15 809 646 A 76 THR H A 76 THR HB 1.0 1.8 3.95 810 647 A 49 THR H A 48 VAL HG1% 1.0 1.8 4.91 811 647 A 49 THR H A 48 VAL HG2% 1.0 1.8 4.91 812 648 A 49 THR H A 49 THR HG2% 1.0 1.8 4.60 813 649 A 49 THR H A 52 GLU H 1.0 1.8 4.91 814 650 A 31 PHE H A 30 THR HG2% 1.0 1.8 4.65 815 651 A 102 ALA HA A 104 ARG H 1.0 1.8 5.01 816 652 A 104 ARG H A 103 PRO HBy 1.0 1.8 4.81 817 653 A 104 ARG H A 103 PRO HBx 1.0 1.8 4.81 818 654 A 36 SER H A 35 LEU HBx 1.0 1.8 5.13 819 654 A 36 SER H A 35 LEU HBy 1.0 1.8 5.13 820 655 A 36 SER H A 35 LEU HD1% 1.0 1.8 5.19 821 655 A 36 SER H A 35 LEU HD2% 1.0 1.8 5.19 822 656 A 71 HIS HA A 75 GLY H 1.0 1.8 4.81 823 657 A 74 ILE HB A 75 GLY H 1.0 1.8 5.16 824 658 A 19 ARG H A 18 THR H 1.0 1.8 5.43 825 659 A 18 THR H A 17 SER HA 1.0 1.8 3.75 826 660 A 18 THR H A 18 THR HG2% 1.0 1.8 4.16 827 661 A 98 ASP H A 97 GLY H 1.0 1.8 4.30 828 662 A 97 GLY H A 98 ASP HBx 1.0 1.8 5.17 829 663 A 97 GLY H A 98 ASP HBy 1.0 1.8 5.17 830 664 A 39 CYS H A 40 SER H 1.0 1.8 4.16 831 665 A 96 GLY H A 95 GLU HBx 1.0 1.8 4.64 832 665 A 96 GLY H A 95 GLU HBy 1.0 1.8 4.64 833 666 A 96 GLY H A 95 GLU HGx 1.0 1.8 5.15 834 666 A 96 GLY H A 95 GLU HGy 1.0 1.8 5.15 835 667 A 96 GLY H A 94 ASP HBx 1.0 1.8 5.49 836 668 A 96 GLY H A 94 ASP HBy 1.0 1.8 5.49 837 669 A 95 GLU H A 96 GLY H 1.0 1.8 4.81 838 670 A 88 ASP H A 87 GLY H 1.0 1.8 3.79 839 671 A 84 ARG HA A 87 GLY H 1.0 1.8 4.76 840 672 A 87 GLY H A 88 ASP HBx 1.0 1.8 5.07 841 672 A 87 GLY H A 88 ASP HBy 1.0 1.8 5.07 842 673 A 87 GLY H A 86 ALA HB% 1.0 1.8 3.94 843 674 A 21 ILE H A 42 PHE H 1.0 1.8 5.04 844 675 A 114 ASP H A 113 ASP H 1.0 1.8 3.75 845 676 A 99 GLU H A 100 VAL H 1.0 1.8 5.57 846 677 A 5 GLU H A 4 VAL H 1.0 1.8 4.80 847 678 A 109 PHE HA A 91 TYR H 1.0 1.8 5.43 848 679 A 90 VAL H A 91 TYR H 1.0 1.8 5.40 849 680 A 90 VAL H A 89 TYR HE% 1.0 1.8 5.58 850 681 A 32 ASP H A 31 PHE HD% 1.0 1.8 5.57 851 682 A 62 GLU H A 60 ALA H 1.0 1.8 5.15 852 683 A 23 ILE H A 24 THR H 1.0 1.8 5.42 853 684 A 84 ARG H A 81 LEU H 1.0 1.8 5.71 854 685 A 86 ALA H A 84 ARG H 1.0 1.8 5.25 855 686 A 57 VAL H A 59 ASP H 1.0 1.8 5.51 856 687 A 78 VAL H A 77 LYS H 1.0 1.8 4.41 857 688 A 78 VAL H A 68 CYS HBx 1.0 1.8 5.44 858 688 A 78 VAL H A 68 CYS HBy 1.0 1.8 5.44 859 689 A 4 VAL H A 3 LYS H 1.0 1.8 5.26 860 690 A 46 LYS H A 19 ARG H 1.0 1.8 5.64 861 691 A 6 PHE H A 6 PHE HE% 1.0 1.8 5.64 862 692 A 71 HIS H A 75 GLY H 1.0 1.8 5.41 863 693 A 100 VAL H A 94 ASP H 1.0 1.8 5.42 864 694 A 99 GLU H A 98 ASP H 1.0 1.8 5.20 865 695 A 7 ASN H A 8 ASP H 1.0 1.8 4.29 866 696 A 20 LYS H A 44 VAL H 1.0 1.8 5.43 867 697 A 35 LEU H A 36 SER H 1.0 1.8 4.26 868 698 A 29 ALA H A 28 ASP H 1.0 1.8 5.57 869 699 A 19 ARG H A 44 VAL H 1.0 1.8 5.01 870 700 A 21 ILE H A 44 VAL H 1.0 1.8 5.53 871 701 A 111 ALA H A 110 SER H 1.0 1.8 4.97 872 702 A 51 ASP H A 49 THR H 1.0 1.8 5.65 873 703 A 61 VAL H A 63 SER H 1.0 1.8 5.52 874 704 A 30 THR H A 31 PHE HD% 1.0 1.8 5.67 875 705 A 38 ALA H A 40 SER H 1.0 1.8 5.22 876 706 A 98 ASP H A 96 GLY H 1.0 1.8 4.74 877 707 A 104 ARG H A 102 ALA H 1.0 1.8 5.41 878 708 A 113 ASP H A 112 PRO HDx 1.0 1.8 3.33 879 708 A 113 ASP H A 112 PRO HDy 1.0 1.8 3.33 880 709 A 113 ASP H A 112 PRO HGx 1.0 1.8 3.94 881 709 A 113 ASP H A 112 PRO HGy 1.0 1.8 3.94 882 710 A 113 ASP H A 111 ALA HA 1.0 1.8 4.58 883 711 A 51 ASP HA A 54 LEU H 1.0 1.8 5.74 884 712 A 53 LEU HA A 57 VAL H 1.0 1.8 5.20 885 713 A 106 TYR HD% A 25 PHE HD% 1.0 1.8 4.50 886 714 A 106 TYR HD% A 25 PHE HE% 1.0 1.8 4.76 887 715 A 90 VAL HA A 91 TYR HE% 1.0 1.8 4.75 888 716 A 31 PHE HD% A 30 THR HG2% 1.0 1.8 4.27 889 717 A 42 PHE HD% A 56 VAL HG1% 1.0 1.8 4.04 890 717 A 56 VAL HG2% A 42 PHE HD% 1.0 1.8 4.04 891 718 A 42 PHE HD% A 39 CYS HG 1.0 1.8 4.81 892 719 A 42 PHE HA A 42 PHE HD% 1.0 1.8 4.61 893 720 A 31 PHE HA A 31 PHE HD% 1.0 1.8 4.38 894 721 A 71 HIS HA A 71 HIS HD2 1.0 1.8 4.39 895 722 A 90 VAL HA A 89 TYR HD% 1.0 1.8 3.85 896 723 A 89 TYR HD% A 91 TYR HA 1.0 1.8 5.15 897 724 A 91 TYR HD% A 89 TYR HD% 1.0 1.8 4.69 898 725 A 89 TYR HE% A 91 TYR HE% 1.0 1.8 4.77 899 726 A 91 TYR HD% A 91 TYR HA 1.0 1.8 4.70 900 727 A 111 ALA HA A 91 TYR HD% 1.0 1.8 4.00 901 728 A 111 ALA HB% A 91 TYR HD% 1.0 1.8 4.35 902 729 A 111 ALA HB% A 91 TYR HE% 1.0 1.8 4.98 903 730 A 109 PHE HA A 109 PHE HD% 1.0 1.8 4.60 904 731 A 6 PHE HA A 6 PHE HE% 1.0 1.8 4.83 905 732 A 2 LYS HA A 2 LYS HBy 1.0 1.8 2.85 906 732 A 2 LYS HA A 2 LYS HBx 1.0 1.8 2.85 907 733 A 2 LYS HA A 2 LYS HGy 1.0 1.8 3.51 908 733 A 2 LYS HA A 2 LYS HGx 1.0 1.8 3.51 909 734 A 2 LYS HBy A 2 LYS HEx 1.0 1.8 4.17 910 734 A 2 LYS HBx A 2 LYS HEx 1.0 1.8 4.17 911 734 A 2 LYS HEy A 2 LYS HBy 1.0 1.8 4.17 912 734 A 2 LYS HEy A 2 LYS HBx 1.0 1.8 4.17 913 735 A 2 LYS HBx A 4 VAL HG1% 1.0 1.8 4.31 914 735 A 2 LYS HBy A 4 VAL HG1% 1.0 1.8 4.31 915 735 A 4 VAL HG2% A 2 LYS HBy 1.0 1.8 4.31 916 735 A 2 LYS HBx A 4 VAL HG2% 1.0 1.8 4.31 917 736 A 2 LYS HBx A 6 PHE HBx 1.0 1.8 5.70 918 736 A 2 LYS HBy A 6 PHE HBx 1.0 1.8 5.70 919 736 A 6 PHE HBy A 2 LYS HBy 1.0 1.8 5.70 920 736 A 2 LYS HBx A 6 PHE HBy 1.0 1.8 5.70 921 737 A 6 PHE HD% A 2 LYS HBy 1.0 1.8 5.70 922 737 A 6 PHE HD% A 2 LYS HBx 1.0 1.8 5.70 923 738 A 2 LYS HDx A 2 LYS HGy 1.0 1.8 2.54 924 738 A 2 LYS HDy A 2 LYS HGy 1.0 1.8 2.54 925 738 A 2 LYS HGx A 2 LYS HDx 1.0 1.8 2.54 926 738 A 2 LYS HDy A 2 LYS HGx 1.0 1.8 2.54 927 739 A 2 LYS HEx A 2 LYS HGy 1.0 1.8 2.83 928 739 A 2 LYS HEy A 2 LYS HGy 1.0 1.8 2.83 929 739 A 2 LYS HGx A 2 LYS HEx 1.0 1.8 2.83 930 739 A 2 LYS HEy A 2 LYS HGx 1.0 1.8 2.83 931 740 A 2 LYS HDy A 4 VAL HG1% 1.0 1.8 3.97 932 740 A 2 LYS HDx A 4 VAL HG1% 1.0 1.8 3.97 933 740 A 4 VAL HG2% A 2 LYS HDx 1.0 1.8 3.97 934 740 A 2 LYS HDy A 4 VAL HG2% 1.0 1.8 3.97 935 741 A 2 LYS HEy A 4 VAL HG1% 1.0 1.8 3.64 936 741 A 2 LYS HEx A 4 VAL HG1% 1.0 1.8 3.64 937 741 A 4 VAL HG2% A 2 LYS HEx 1.0 1.8 3.64 938 741 A 2 LYS HEy A 4 VAL HG2% 1.0 1.8 3.64 939 742 A 4 VAL HA A 5 GLU HGy 1.0 1.8 4.99 940 742 A 4 VAL HA A 5 GLU HGx 1.0 1.8 4.99 941 743 A 5 GLU H A 4 VAL HG1% 1.0 1.8 4.57 942 743 A 5 GLU H A 4 VAL HG2% 1.0 1.8 4.57 943 744 A 4 VAL HG2% A 5 GLU HBx 1.0 1.8 4.97 944 744 A 4 VAL HG1% A 5 GLU HBx 1.0 1.8 4.97 945 744 A 5 GLU HBy A 4 VAL HG1% 1.0 1.8 4.97 946 744 A 4 VAL HG2% A 5 GLU HBy 1.0 1.8 4.97 947 745 A 6 PHE HA A 4 VAL HG1% 1.0 1.8 5.29 948 745 A 6 PHE HA A 4 VAL HG2% 1.0 1.8 5.29 949 746 A 4 VAL HG1% A 6 PHE HBx 1.0 1.8 5.81 950 746 A 6 PHE HBy A 4 VAL HG1% 1.0 1.8 5.81 951 746 A 4 VAL HG2% A 6 PHE HBy 1.0 1.8 5.81 952 746 A 4 VAL HG2% A 6 PHE HBx 1.0 1.8 5.81 953 747 A 5 GLU HA A 5 GLU HGy 1.0 1.8 3.99 954 747 A 5 GLU HA A 5 GLU HGx 1.0 1.8 3.99 955 748 A 6 PHE H A 6 PHE HBx 1.0 1.8 3.66 956 748 A 6 PHE H A 6 PHE HBy 1.0 1.8 3.66 957 749 A 6 PHE HBy A 7 ASN HBy 1.0 1.8 4.73 958 749 A 6 PHE HBx A 7 ASN HBy 1.0 1.8 4.73 959 749 A 7 ASN HBx A 6 PHE HBx 1.0 1.8 4.73 960 749 A 6 PHE HBy A 7 ASN HBx 1.0 1.8 4.73 961 750 A 8 ASP HBx A 9 LYS HBx 1.0 1.8 5.15 962 750 A 8 ASP HBy A 9 LYS HBx 1.0 1.8 5.15 963 750 A 9 LYS HBy A 8 ASP HBx 1.0 1.8 5.15 964 750 A 8 ASP HBy A 9 LYS HBy 1.0 1.8 5.15 965 751 A 8 ASP HBy A 9 LYS HGx 1.0 1.8 5.28 966 751 A 8 ASP HBx A 9 LYS HGx 1.0 1.8 5.28 967 751 A 9 LYS HGy A 8 ASP HBx 1.0 1.8 5.28 968 751 A 8 ASP HBy A 9 LYS HGy 1.0 1.8 5.28 969 752 A 9 LYS H A 9 LYS HBx 1.0 1.8 3.41 970 752 A 9 LYS H A 9 LYS HBy 1.0 1.8 3.41 971 753 A 9 LYS HA A 10 PRO HBy 1.0 1.8 5.62 972 753 A 9 LYS HA A 10 PRO HBx 1.0 1.8 5.62 973 754 A 9 LYS HBy A 9 LYS HEx 1.0 1.8 4.47 974 754 A 9 LYS HBx A 9 LYS HEx 1.0 1.8 4.47 975 754 A 9 LYS HEy A 9 LYS HBx 1.0 1.8 4.47 976 754 A 9 LYS HEy A 9 LYS HBy 1.0 1.8 4.47 977 755 A 9 LYS HBy A 10 PRO HDy 1.0 1.8 3.47 978 755 A 10 PRO HDx A 9 LYS HBx 1.0 1.8 3.47 979 755 A 9 LYS HBy A 10 PRO HDx 1.0 1.8 3.47 980 755 A 9 LYS HBx A 10 PRO HDy 1.0 1.8 3.47 981 756 A 10 PRO HA A 9 LYS HGx 1.0 1.8 5.17 982 756 A 10 PRO HA A 9 LYS HGy 1.0 1.8 5.17 983 757 A 9 LYS HGx A 10 PRO HDy 1.0 1.8 4.32 984 757 A 9 LYS HGy A 10 PRO HDy 1.0 1.8 4.32 985 757 A 10 PRO HDx A 9 LYS HGx 1.0 1.8 4.32 986 757 A 9 LYS HGy A 10 PRO HDx 1.0 1.8 4.32 987 758 A 11 LYS H A 10 PRO HBy 1.0 1.8 4.27 988 758 A 11 LYS H A 10 PRO HBx 1.0 1.8 4.27 989 759 A 13 ARG HA A 13 ARG HGy 1.0 1.8 3.76 990 759 A 13 ARG HA A 13 ARG HGx 1.0 1.8 3.76 991 760 A 13 ARG HBy A 13 ARG HDx 1.0 1.8 3.34 992 760 A 13 ARG HBx A 13 ARG HDx 1.0 1.8 3.34 993 760 A 13 ARG HDy A 13 ARG HBy 1.0 1.8 3.34 994 760 A 13 ARG HDy A 13 ARG HBx 1.0 1.8 3.34 995 761 A 15 ILE H A 15 ILE HG1x 1.0 1.8 4.06 996 761 A 15 ILE H A 15 ILE HG1y 1.0 1.8 4.06 997 762 A 15 ILE HB A 16 PRO HDy 1.0 1.8 4.57 998 762 A 15 ILE HB A 16 PRO HDx 1.0 1.8 4.57 999 763 A 15 ILE HG2% A 15 ILE HG1x 1.0 1.8 3.56 1000 763 A 15 ILE HG2% A 15 ILE HG1y 1.0 1.8 3.56 1001 764 A 15 ILE HG2% A 16 PRO HDy 1.0 1.8 3.52 1002 764 A 15 ILE HG2% A 16 PRO HDx 1.0 1.8 3.52 1003 765 A 15 ILE HG1x A 16 PRO HDy 1.0 1.8 4.54 1004 765 A 15 ILE HG1y A 16 PRO HDy 1.0 1.8 4.54 1005 765 A 16 PRO HDx A 15 ILE HG1x 1.0 1.8 4.54 1006 765 A 15 ILE HG1y A 16 PRO HDx 1.0 1.8 4.54 1007 766 A 17 SER H A 16 PRO HBy 1.0 1.8 4.10 1008 766 A 17 SER H A 16 PRO HBx 1.0 1.8 4.10 1009 767 A 18 THR H A 16 PRO HBy 1.0 1.8 4.63 1010 767 A 18 THR H A 16 PRO HBx 1.0 1.8 4.63 1011 768 A 18 THR HG2% A 16 PRO HBy 1.0 1.8 3.44 1012 768 A 18 THR HG2% A 16 PRO HBx 1.0 1.8 3.44 1013 769 A 18 THR HA A 45 ASP HBy 1.0 1.8 5.52 1014 769 A 18 THR HA A 45 ASP HBx 1.0 1.8 5.52 1015 770 A 18 THR HB A 45 ASP HBy 1.0 1.8 5.19 1016 770 A 18 THR HB A 45 ASP HBx 1.0 1.8 5.19 1017 771 A 19 ARG HBy A 19 ARG HDx 1.0 1.8 3.63 1018 771 A 19 ARG HDy A 19 ARG HBx 1.0 1.8 3.63 1019 771 A 19 ARG HDy A 19 ARG HBy 1.0 1.8 3.63 1020 771 A 19 ARG HBx A 19 ARG HDx 1.0 1.8 3.63 1021 772 A 20 LYS H A 19 ARG HBx 1.0 1.8 4.09 1022 772 A 20 LYS H A 19 ARG HBy 1.0 1.8 4.09 1023 773 A 19 ARG HBy A 44 VAL HG2% 1.0 1.8 4.51 1024 773 A 19 ARG HBx A 44 VAL HG2% 1.0 1.8 4.51 1025 773 A 44 VAL HG1% A 19 ARG HBx 1.0 1.8 4.51 1026 773 A 19 ARG HBy A 44 VAL HG1% 1.0 1.8 4.51 1027 774 A 19 ARG HDy A 44 VAL HG2% 1.0 1.8 4.58 1028 774 A 19 ARG HDx A 44 VAL HG2% 1.0 1.8 4.58 1029 774 A 44 VAL HG1% A 19 ARG HDx 1.0 1.8 4.58 1030 774 A 19 ARG HDy A 44 VAL HG1% 1.0 1.8 4.58 1031 775 A 20 LYS H A 20 LYS HGy 1.0 1.8 4.23 1032 775 A 20 LYS H A 20 LYS HGx 1.0 1.8 4.23 1033 776 A 20 LYS HGx A 43 GLU HBx 1.0 1.8 4.18 1034 776 A 20 LYS HGy A 43 GLU HBx 1.0 1.8 4.18 1035 776 A 43 GLU HBy A 20 LYS HGy 1.0 1.8 4.18 1036 776 A 43 GLU HBy A 20 LYS HGx 1.0 1.8 4.18 1037 777 A 21 ILE HG2% A 21 ILE HG1y 1.0 1.8 3.47 1038 777 A 21 ILE HG2% A 21 ILE HG1x 1.0 1.8 3.47 1039 778 A 21 ILE HG1y A 44 VAL HG2% 1.0 1.8 3.78 1040 778 A 21 ILE HG1x A 44 VAL HG2% 1.0 1.8 3.78 1041 778 A 44 VAL HG1% A 21 ILE HG1y 1.0 1.8 3.78 1042 778 A 44 VAL HG1% A 21 ILE HG1x 1.0 1.8 3.78 1043 779 A 105 MET HE1 A 21 ILE HG1y 1.0 1.8 3.89 1044 779 A 105 MET HE1 A 21 ILE HG1x 1.0 1.8 3.89 1045 780 A 22 LYS H A 22 LYS HBx 1.0 1.8 3.89 1046 780 A 22 LYS H A 22 LYS HBy 1.0 1.8 3.89 1047 781 A 22 LYS HBy A 22 LYS HEx 1.0 1.8 4.17 1048 781 A 22 LYS HBx A 22 LYS HEx 1.0 1.8 4.17 1049 781 A 22 LYS HEy A 22 LYS HBx 1.0 1.8 4.17 1050 781 A 22 LYS HEy A 22 LYS HBy 1.0 1.8 4.17 1051 782 A 23 ILE HD1% A 22 LYS HBx 1.0 1.8 4.13 1052 782 A 23 ILE HD1% A 22 LYS HBy 1.0 1.8 4.13 1053 783 A 22 LYS HBx A 41 GLU HGx 1.0 1.8 5.87 1054 783 A 22 LYS HBy A 41 GLU HGx 1.0 1.8 5.87 1055 783 A 41 GLU HGy A 22 LYS HBx 1.0 1.8 5.87 1056 783 A 41 GLU HGy A 22 LYS HBy 1.0 1.8 5.87 1057 784 A 26 ALA HA A 27 LEU HBx 1.0 1.8 5.87 1058 784 A 26 ALA HA A 27 LEU HBy 1.0 1.8 5.87 1059 785 A 26 ALA HA A 27 LEU HD1% 1.0 1.8 3.99 1060 785 A 26 ALA HA A 27 LEU HD2% 1.0 1.8 3.99 1061 786 A 27 LEU H A 27 LEU HD1% 1.0 1.8 5.52 1062 786 A 27 LEU H A 27 LEU HD2% 1.0 1.8 5.52 1063 787 A 27 LEU H A 28 ASP HBx 1.0 1.8 5.14 1064 787 A 27 LEU H A 28 ASP HBy 1.0 1.8 5.14 1065 788 A 27 LEU HA A 27 LEU HD1% 1.0 1.8 3.78 1066 788 A 27 LEU HA A 27 LEU HD2% 1.0 1.8 3.78 1067 789 A 27 LEU HA A 31 PHE HBy 1.0 1.8 5.87 1068 789 A 27 LEU HA A 31 PHE HBx 1.0 1.8 5.87 1069 790 A 28 ASP H A 27 LEU HBx 1.0 1.8 4.07 1070 790 A 28 ASP H A 27 LEU HBy 1.0 1.8 4.07 1071 791 A 28 ASP HA A 27 LEU HBx 1.0 1.8 5.43 1072 791 A 28 ASP HA A 27 LEU HBy 1.0 1.8 5.43 1073 792 A 27 LEU HBx A 28 ASP HBx 1.0 1.8 5.17 1074 792 A 28 ASP HBy A 27 LEU HBx 1.0 1.8 5.17 1075 792 A 27 LEU HBy A 28 ASP HBy 1.0 1.8 5.17 1076 792 A 27 LEU HBy A 28 ASP HBx 1.0 1.8 5.17 1077 793 A 31 PHE HD% A 27 LEU HBx 1.0 1.8 5.87 1078 793 A 31 PHE HD% A 27 LEU HBy 1.0 1.8 5.87 1079 794 A 28 ASP H A 27 LEU HD1% 1.0 1.8 5.10 1080 794 A 28 ASP H A 27 LEU HD2% 1.0 1.8 5.10 1081 795 A 29 ALA H A 28 ASP HBx 1.0 1.8 4.62 1082 795 A 29 ALA H A 28 ASP HBy 1.0 1.8 4.62 1083 796 A 30 THR H A 28 ASP HBx 1.0 1.8 5.19 1084 796 A 30 THR H A 28 ASP HBy 1.0 1.8 5.19 1085 797 A 31 PHE HA A 34 VAL HG2% 1.0 1.8 4.41 1086 797 A 31 PHE HA A 34 VAL HG1% 1.0 1.8 4.41 1087 798 A 31 PHE HBx A 35 LEU HD1% 1.0 1.8 5.21 1088 798 A 35 LEU HD2% A 31 PHE HBy 1.0 1.8 5.21 1089 798 A 35 LEU HD2% A 31 PHE HBx 1.0 1.8 5.21 1090 798 A 31 PHE HBy A 35 LEU HD1% 1.0 1.8 5.21 1091 799 A 74 ILE HG2% A 31 PHE HBy 1.0 1.8 4.31 1092 799 A 74 ILE HG2% A 31 PHE HBx 1.0 1.8 4.31 1093 800 A 31 PHE HD% A 34 VAL HG2% 1.0 1.8 4.23 1094 800 A 31 PHE HD% A 34 VAL HG1% 1.0 1.8 4.23 1095 801 A 31 PHE HE% A 34 VAL HG2% 1.0 1.8 4.61 1096 801 A 34 VAL HG1% A 31 PHE HE% 1.0 1.8 4.61 1097 802 A 33 SER H A 33 SER HBy 1.0 1.8 3.84 1098 802 A 33 SER H A 33 SER HBx 1.0 1.8 3.84 1099 803 A 34 VAL H A 33 SER HBy 1.0 1.8 4.33 1100 803 A 34 VAL H A 33 SER HBx 1.0 1.8 4.33 1101 804 A 34 VAL H A 34 VAL HG2% 1.0 1.8 3.59 1102 804 A 34 VAL H A 34 VAL HG1% 1.0 1.8 3.59 1103 805 A 34 VAL HA A 37 LYS HBx 1.0 1.8 4.14 1104 805 A 34 VAL HA A 37 LYS HBy 1.0 1.8 4.14 1105 806 A 35 LEU HA A 34 VAL HG2% 1.0 1.8 4.79 1106 806 A 35 LEU HA A 34 VAL HG1% 1.0 1.8 4.79 1107 807 A 38 ALA H A 34 VAL HG2% 1.0 1.8 4.77 1108 807 A 38 ALA H A 34 VAL HG1% 1.0 1.8 4.77 1109 808 A 38 ALA HB% A 34 VAL HG2% 1.0 1.8 3.95 1110 808 A 38 ALA HB% A 34 VAL HG1% 1.0 1.8 3.95 1111 809 A 36 SER H A 36 SER HBy 1.0 1.8 3.69 1112 809 A 36 SER H A 36 SER HBx 1.0 1.8 3.69 1113 810 A 38 ALA HA A 37 LYS HBx 1.0 1.8 5.54 1114 810 A 38 ALA HA A 37 LYS HBy 1.0 1.8 5.54 1115 811 A 38 ALA HB% A 39 CYS HBy 1.0 1.8 5.19 1116 811 A 38 ALA HB% A 39 CYS HBx 1.0 1.8 5.19 1117 812 A 60 ALA HB% A 39 CYS HBy 1.0 1.8 3.76 1118 812 A 60 ALA HB% A 39 CYS HBx 1.0 1.8 3.76 1119 813 A 41 GLU H A 41 GLU HBy 1.0 1.8 3.65 1120 813 A 41 GLU H A 41 GLU HBx 1.0 1.8 3.65 1121 814 A 43 GLU H A 44 VAL HG2% 1.0 1.8 5.02 1122 814 A 43 GLU H A 44 VAL HG1% 1.0 1.8 5.02 1123 815 A 43 GLU HA A 44 VAL HG2% 1.0 1.8 5.30 1124 815 A 43 GLU HA A 44 VAL HG1% 1.0 1.8 5.30 1125 816 A 44 VAL H A 44 VAL HG2% 1.0 1.8 3.82 1126 816 A 44 VAL H A 44 VAL HG1% 1.0 1.8 3.82 1127 817 A 44 VAL HB A 45 ASP HBy 1.0 1.8 5.87 1128 817 A 44 VAL HB A 45 ASP HBx 1.0 1.8 5.87 1129 818 A 45 ASP H A 44 VAL HG2% 1.0 1.8 4.36 1130 818 A 45 ASP H A 44 VAL HG1% 1.0 1.8 4.36 1131 819 A 45 ASP H A 45 ASP HBy 1.0 1.8 3.84 1132 819 A 45 ASP H A 45 ASP HBx 1.0 1.8 3.84 1133 820 A 45 ASP HA A 46 LYS HBy 1.0 1.8 5.35 1134 820 A 45 ASP HA A 46 LYS HBx 1.0 1.8 5.35 1135 821 A 46 LYS H A 45 ASP HBy 1.0 1.8 4.71 1136 821 A 46 LYS H A 45 ASP HBx 1.0 1.8 4.71 1137 822 A 46 LYS H A 46 LYS HBy 1.0 1.8 3.82 1138 822 A 46 LYS H A 46 LYS HBx 1.0 1.8 3.82 1139 823 A 47 ASP H A 47 ASP HBy 1.0 1.8 3.87 1140 823 A 47 ASP H A 47 ASP HBx 1.0 1.8 3.87 1141 824 A 48 VAL H A 47 ASP HBy 1.0 1.8 4.15 1142 824 A 48 VAL H A 47 ASP HBx 1.0 1.8 4.15 1143 825 A 49 THR H A 52 GLU HBx 1.0 1.8 4.58 1144 825 A 49 THR H A 52 GLU HBy 1.0 1.8 4.58 1145 826 A 49 THR HB A 50 LEU HBx 1.0 1.8 5.84 1146 826 A 49 THR HB A 50 LEU HBy 1.0 1.8 5.84 1147 827 A 50 LEU H A 50 LEU HBx 1.0 1.8 3.60 1148 827 A 50 LEU H A 50 LEU HBy 1.0 1.8 3.60 1149 828 A 50 LEU HBx A 50 LEU HD1% 1.0 1.8 2.77 1150 828 A 50 LEU HBy A 50 LEU HD1% 1.0 1.8 2.77 1151 828 A 50 LEU HD2% A 50 LEU HBx 1.0 1.8 2.77 1152 828 A 50 LEU HBy A 50 LEU HD2% 1.0 1.8 2.77 1153 829 A 51 ASP HA A 50 LEU HBx 1.0 1.8 5.71 1154 829 A 51 ASP HA A 50 LEU HBy 1.0 1.8 5.71 1155 830 A 50 LEU HBy A 53 LEU HD1% 1.0 1.8 3.83 1156 830 A 50 LEU HBx A 53 LEU HD1% 1.0 1.8 3.83 1157 830 A 53 LEU HD2% A 50 LEU HBx 1.0 1.8 3.83 1158 830 A 53 LEU HD2% A 50 LEU HBy 1.0 1.8 3.83 1159 831 A 92 LEU HA A 50 LEU HBx 1.0 1.8 5.43 1160 831 A 92 LEU HA A 50 LEU HBy 1.0 1.8 5.43 1161 832 A 50 LEU HBy A 92 LEU HBx 1.0 1.8 4.43 1162 832 A 92 LEU HBy A 50 LEU HBx 1.0 1.8 4.43 1163 832 A 50 LEU HBy A 92 LEU HBy 1.0 1.8 4.43 1164 832 A 50 LEU HBx A 92 LEU HBx 1.0 1.8 4.43 1165 833 A 50 LEU HG A 99 GLU HBy 1.0 1.8 5.53 1166 833 A 50 LEU HG A 99 GLU HBx 1.0 1.8 5.53 1167 834 A 51 ASP HA A 50 LEU HD1% 1.0 1.8 4.05 1168 834 A 51 ASP HA A 50 LEU HD2% 1.0 1.8 4.05 1169 835 A 50 LEU HD2% A 51 ASP HBy 1.0 1.8 4.62 1170 835 A 50 LEU HD1% A 51 ASP HBy 1.0 1.8 4.62 1171 835 A 51 ASP HBx A 50 LEU HD1% 1.0 1.8 4.62 1172 835 A 50 LEU HD2% A 51 ASP HBx 1.0 1.8 4.62 1173 836 A 92 LEU HA A 50 LEU HD1% 1.0 1.8 5.28 1174 836 A 92 LEU HA A 50 LEU HD2% 1.0 1.8 5.28 1175 837 A 50 LEU HD2% A 92 LEU HBx 1.0 1.8 3.84 1176 837 A 50 LEU HD1% A 92 LEU HBx 1.0 1.8 3.84 1177 837 A 92 LEU HBy A 50 LEU HD1% 1.0 1.8 3.84 1178 837 A 50 LEU HD2% A 92 LEU HBy 1.0 1.8 3.84 1179 838 A 93 PHE HA A 50 LEU HD1% 1.0 1.8 4.85 1180 838 A 93 PHE HA A 50 LEU HD2% 1.0 1.8 4.85 1181 839 A 50 LEU HD1% A 93 PHE HBx 1.0 1.8 5.63 1182 839 A 50 LEU HD2% A 93 PHE HBx 1.0 1.8 5.63 1183 839 A 93 PHE HBy A 50 LEU HD1% 1.0 1.8 5.63 1184 839 A 50 LEU HD2% A 93 PHE HBy 1.0 1.8 5.63 1185 840 A 99 GLU HA A 50 LEU HD1% 1.0 1.8 4.80 1186 840 A 99 GLU HA A 50 LEU HD2% 1.0 1.8 4.80 1187 841 A 50 LEU HD2% A 99 GLU HGx 1.0 1.8 3.99 1188 841 A 50 LEU HD1% A 99 GLU HGx 1.0 1.8 3.99 1189 841 A 99 GLU HGy A 50 LEU HD1% 1.0 1.8 3.99 1190 841 A 99 GLU HGy A 50 LEU HD2% 1.0 1.8 3.99 1191 842 A 51 ASP HBx A 52 GLU HBx 1.0 1.8 4.16 1192 842 A 51 ASP HBy A 52 GLU HBx 1.0 1.8 4.16 1193 842 A 52 GLU HBy A 51 ASP HBy 1.0 1.8 4.16 1194 842 A 52 GLU HBy A 51 ASP HBx 1.0 1.8 4.16 1195 843 A 52 GLU H A 52 GLU HBx 1.0 1.8 3.58 1196 843 A 52 GLU H A 52 GLU HBy 1.0 1.8 3.58 1197 844 A 52 GLU HA A 55 ASP HBx 1.0 1.8 4.21 1198 844 A 52 GLU HA A 55 ASP HBy 1.0 1.8 4.21 1199 845 A 53 LEU H A 52 GLU HBx 1.0 1.8 4.23 1200 845 A 52 GLU HBy A 53 LEU H 1.0 1.8 4.23 1201 846 A 52 GLU HBy A 55 ASP HBx 1.0 1.8 4.72 1202 846 A 55 ASP HBy A 52 GLU HBx 1.0 1.8 4.72 1203 846 A 52 GLU HBy A 55 ASP HBy 1.0 1.8 4.72 1204 846 A 52 GLU HBx A 55 ASP HBx 1.0 1.8 4.72 1205 847 A 52 GLU HGy A 55 ASP HBx 1.0 1.8 5.22 1206 847 A 52 GLU HGx A 55 ASP HBx 1.0 1.8 5.22 1207 847 A 55 ASP HBy A 52 GLU HGx 1.0 1.8 5.22 1208 847 A 55 ASP HBy A 52 GLU HGy 1.0 1.8 5.22 1209 848 A 54 LEU HA A 58 LEU HBx 1.0 1.8 4.26 1210 848 A 54 LEU HA A 58 LEU HBy 1.0 1.8 4.26 1211 849 A 55 ASP HBx A 57 VAL HG1% 1.0 1.8 5.43 1212 849 A 55 ASP HBy A 57 VAL HG1% 1.0 1.8 5.43 1213 849 A 57 VAL HG2% A 55 ASP HBx 1.0 1.8 5.43 1214 849 A 57 VAL HG2% A 55 ASP HBy 1.0 1.8 5.43 1215 850 A 58 LEU H A 58 LEU HBx 1.0 1.8 3.71 1216 850 A 58 LEU H A 58 LEU HBy 1.0 1.8 3.71 1217 851 A 58 LEU H A 58 LEU HD1% 1.0 1.8 3.96 1218 851 A 58 LEU H A 58 LEU HD2% 1.0 1.8 3.96 1219 852 A 59 ASP H A 58 LEU HBx 1.0 1.8 4.04 1220 852 A 59 ASP H A 58 LEU HBy 1.0 1.8 4.04 1221 853 A 59 ASP H A 58 LEU HD1% 1.0 1.8 4.02 1222 853 A 59 ASP H A 58 LEU HD2% 1.0 1.8 4.02 1223 854 A 58 LEU HD1% A 62 GLU HBx 1.0 1.8 4.43 1224 854 A 58 LEU HD2% A 62 GLU HBx 1.0 1.8 4.43 1225 854 A 62 GLU HBy A 58 LEU HD1% 1.0 1.8 4.43 1226 854 A 62 GLU HBy A 58 LEU HD2% 1.0 1.8 4.43 1227 855 A 85 LEU HA A 58 LEU HD1% 1.0 1.8 3.67 1228 855 A 85 LEU HA A 58 LEU HD2% 1.0 1.8 3.67 1229 856 A 62 GLU HGx A 63 SER HBy 1.0 1.8 4.98 1230 856 A 62 GLU HGy A 63 SER HBy 1.0 1.8 4.98 1231 856 A 63 SER HBx A 62 GLU HGx 1.0 1.8 4.98 1232 856 A 62 GLU HGy A 63 SER HBx 1.0 1.8 4.98 1233 857 A 68 CYS HBx A 78 VAL HG2% 1.0 1.8 4.64 1234 857 A 68 CYS HBy A 78 VAL HG2% 1.0 1.8 4.64 1235 857 A 78 VAL HG1% A 68 CYS HBx 1.0 1.8 4.64 1236 857 A 68 CYS HBy A 78 VAL HG1% 1.0 1.8 4.64 1237 858 A 69 LYS H A 78 VAL HG2% 1.0 1.8 4.73 1238 858 A 69 LYS H A 78 VAL HG1% 1.0 1.8 4.73 1239 859 A 69 LYS HA A 78 VAL HG2% 1.0 1.8 4.02 1240 859 A 69 LYS HA A 78 VAL HG1% 1.0 1.8 4.02 1241 860 A 69 LYS HBy A 75 GLY HAx 1.0 1.8 5.03 1242 860 A 69 LYS HBx A 75 GLY HAx 1.0 1.8 5.03 1243 860 A 75 GLY HAy A 69 LYS HBy 1.0 1.8 5.03 1244 860 A 75 GLY HAy A 69 LYS HBx 1.0 1.8 5.03 1245 861 A 71 HIS HA A 74 ILE HG1y 1.0 1.8 5.65 1246 861 A 71 HIS HA A 74 ILE HG1x 1.0 1.8 5.65 1247 862 A 74 ILE HA A 77 LYS HGx 1.0 1.8 4.98 1248 862 A 74 ILE HA A 77 LYS HGy 1.0 1.8 4.98 1249 863 A 74 ILE HB A 77 LYS HGx 1.0 1.8 5.80 1250 863 A 74 ILE HB A 77 LYS HGy 1.0 1.8 5.80 1251 864 A 74 ILE HG2% A 77 LYS HGx 1.0 1.8 5.26 1252 864 A 74 ILE HG2% A 77 LYS HGy 1.0 1.8 5.26 1253 865 A 75 GLY H A 74 ILE HG1y 1.0 1.8 4.97 1254 865 A 75 GLY H A 74 ILE HG1x 1.0 1.8 4.97 1255 866 A 77 LYS H A 77 LYS HGx 1.0 1.8 3.99 1256 866 A 77 LYS H A 77 LYS HGy 1.0 1.8 3.99 1257 867 A 77 LYS H A 78 VAL HG2% 1.0 1.8 5.13 1258 867 A 77 LYS H A 78 VAL HG1% 1.0 1.8 5.13 1259 868 A 77 LYS HA A 77 LYS HGx 1.0 1.8 4.00 1260 868 A 77 LYS HA A 77 LYS HGy 1.0 1.8 4.00 1261 869 A 78 VAL H A 77 LYS HGx 1.0 1.8 4.49 1262 869 A 78 VAL H A 77 LYS HGy 1.0 1.8 4.49 1263 870 A 78 VAL HA A 77 LYS HGx 1.0 1.8 4.98 1264 870 A 78 VAL HA A 77 LYS HGy 1.0 1.8 4.98 1265 871 A 78 VAL HB A 77 LYS HGx 1.0 1.8 5.27 1266 871 A 78 VAL HB A 77 LYS HGy 1.0 1.8 5.27 1267 872 A 78 VAL H A 78 VAL HG2% 1.0 1.8 3.95 1268 872 A 78 VAL H A 78 VAL HG1% 1.0 1.8 3.95 1269 873 A 79 CYS H A 78 VAL HG2% 1.0 1.8 4.44 1270 873 A 79 CYS H A 78 VAL HG1% 1.0 1.8 4.44 1271 874 A 78 VAL HG1% A 79 CYS HBy 1.0 1.8 3.52 1272 874 A 79 CYS HBx A 78 VAL HG2% 1.0 1.8 3.52 1273 874 A 78 VAL HG1% A 79 CYS HBx 1.0 1.8 3.52 1274 874 A 78 VAL HG2% A 79 CYS HBy 1.0 1.8 3.52 1275 875 A 80 ALA H A 79 CYS HBy 1.0 1.8 3.86 1276 875 A 79 CYS HBx A 80 ALA H 1.0 1.8 3.86 1277 876 A 80 ALA HA A 83 ASP HBx 1.0 1.8 4.05 1278 876 A 80 ALA HA A 83 ASP HBy 1.0 1.8 4.05 1279 877 A 83 ASP HBy A 84 ARG HGx 1.0 1.8 4.43 1280 877 A 83 ASP HBx A 84 ARG HGx 1.0 1.8 4.43 1281 877 A 84 ARG HGy A 83 ASP HBx 1.0 1.8 4.43 1282 877 A 84 ARG HGy A 83 ASP HBy 1.0 1.8 4.43 1283 878 A 84 ARG H A 84 ARG HBx 1.0 1.8 3.64 1284 878 A 84 ARG H A 84 ARG HBy 1.0 1.8 3.64 1285 879 A 84 ARG HA A 89 TYR HBy 1.0 1.8 4.96 1286 879 A 84 ARG HA A 89 TYR HBx 1.0 1.8 4.96 1287 880 A 84 ARG HBx A 89 TYR HBy 1.0 1.8 4.29 1288 880 A 84 ARG HBy A 89 TYR HBy 1.0 1.8 4.29 1289 880 A 89 TYR HBx A 84 ARG HBx 1.0 1.8 4.29 1290 880 A 84 ARG HBy A 89 TYR HBx 1.0 1.8 4.29 1291 881 A 85 LEU H A 85 LEU HBy 1.0 1.8 3.74 1292 881 A 85 LEU H A 85 LEU HBx 1.0 1.8 3.74 1293 882 A 86 ALA H A 85 LEU HBy 1.0 1.8 4.41 1294 882 A 86 ALA H A 85 LEU HBx 1.0 1.8 4.41 1295 883 A 88 ASP HA A 87 GLY HAx 1.0 1.8 5.24 1296 883 A 88 ASP HA A 87 GLY HAy 1.0 1.8 5.24 1297 884 A 89 TYR H A 89 TYR HBy 1.0 1.8 3.26 1298 884 A 89 TYR H A 89 TYR HBx 1.0 1.8 3.26 1299 885 A 89 TYR HA A 90 VAL HG2% 1.0 1.8 5.28 1300 885 A 89 TYR HA A 90 VAL HG1% 1.0 1.8 5.28 1301 886 A 89 TYR HBx A 90 VAL HG2% 1.0 1.8 5.81 1302 886 A 89 TYR HBy A 90 VAL HG2% 1.0 1.8 5.81 1303 886 A 90 VAL HG1% A 89 TYR HBy 1.0 1.8 5.81 1304 886 A 89 TYR HBx A 90 VAL HG1% 1.0 1.8 5.81 1305 887 A 89 TYR HD% A 90 VAL HG2% 1.0 1.8 4.91 1306 887 A 89 TYR HD% A 90 VAL HG1% 1.0 1.8 4.91 1307 888 A 90 VAL H A 90 VAL HG2% 1.0 1.8 3.73 1308 888 A 90 VAL H A 90 VAL HG1% 1.0 1.8 3.73 1309 889 A 90 VAL HA A 90 VAL HG2% 1.0 1.8 3.39 1310 889 A 90 VAL HA A 90 VAL HG1% 1.0 1.8 3.39 1311 890 A 91 TYR H A 90 VAL HG2% 1.0 1.8 4.03 1312 890 A 91 TYR H A 90 VAL HG1% 1.0 1.8 4.03 1313 891 A 108 SER H A 90 VAL HG2% 1.0 1.8 4.36 1314 891 A 108 SER H A 90 VAL HG1% 1.0 1.8 4.36 1315 892 A 108 SER HA A 90 VAL HG2% 1.0 1.8 5.98 1316 892 A 108 SER HA A 90 VAL HG1% 1.0 1.8 5.98 1317 893 A 109 PHE HA A 90 VAL HG2% 1.0 1.8 5.30 1318 893 A 109 PHE HA A 90 VAL HG1% 1.0 1.8 5.30 1319 894 A 93 PHE HA A 99 GLU HBy 1.0 1.8 5.46 1320 894 A 93 PHE HA A 99 GLU HBx 1.0 1.8 5.46 1321 895 A 94 ASP H A 93 PHE HBx 1.0 1.8 4.54 1322 895 A 94 ASP H A 93 PHE HBy 1.0 1.8 4.54 1323 896 A 93 PHE HBx A 97 GLY HAx 1.0 1.8 4.58 1324 896 A 93 PHE HBy A 97 GLY HAx 1.0 1.8 4.58 1325 896 A 97 GLY HAy A 93 PHE HBx 1.0 1.8 4.58 1326 896 A 93 PHE HBy A 97 GLY HAy 1.0 1.8 4.58 1327 897 A 99 GLU HA A 93 PHE HBx 1.0 1.8 4.95 1328 897 A 99 GLU HA A 93 PHE HBy 1.0 1.8 4.95 1329 898 A 93 PHE HBy A 99 GLU HGx 1.0 1.8 5.16 1330 898 A 99 GLU HGy A 93 PHE HBx 1.0 1.8 5.16 1331 898 A 99 GLU HGy A 93 PHE HBy 1.0 1.8 5.16 1332 898 A 93 PHE HBx A 99 GLU HGx 1.0 1.8 5.16 1333 899 A 93 PHE HBy A 112 PRO HBy 1.0 1.8 4.15 1334 899 A 93 PHE HBx A 112 PRO HBy 1.0 1.8 4.15 1335 899 A 112 PRO HBx A 93 PHE HBx 1.0 1.8 4.15 1336 899 A 93 PHE HBy A 112 PRO HBx 1.0 1.8 4.15 1337 900 A 94 ASP H A 100 VAL HG2% 1.0 1.8 5.07 1338 900 A 94 ASP H A 100 VAL HG1% 1.0 1.8 5.07 1339 901 A 96 GLY H A 94 ASP HBx 1.0 1.8 4.52 1340 901 A 96 GLY H A 94 ASP HBy 1.0 1.8 4.52 1341 902 A 94 ASP HBy A 96 GLY HAx 1.0 1.8 5.87 1342 902 A 96 GLY HAy A 94 ASP HBx 1.0 1.8 5.87 1343 902 A 94 ASP HBy A 96 GLY HAy 1.0 1.8 5.87 1344 902 A 94 ASP HBx A 96 GLY HAx 1.0 1.8 5.87 1345 903 A 100 VAL HB A 94 ASP HBx 1.0 1.8 5.82 1346 903 A 100 VAL HB A 94 ASP HBy 1.0 1.8 5.82 1347 904 A 94 ASP HBy A 100 VAL HG2% 1.0 1.8 5.64 1348 904 A 94 ASP HBx A 100 VAL HG2% 1.0 1.8 5.64 1349 904 A 100 VAL HG1% A 94 ASP HBx 1.0 1.8 5.64 1350 904 A 100 VAL HG1% A 94 ASP HBy 1.0 1.8 5.64 1351 905 A 102 ALA HB% A 94 ASP HBx 1.0 1.8 4.59 1352 905 A 102 ALA HB% A 94 ASP HBy 1.0 1.8 4.59 1353 906 A 95 GLU HBy A 104 ARG HDx 1.0 1.8 5.54 1354 906 A 104 ARG HDy A 95 GLU HBx 1.0 1.8 5.54 1355 906 A 95 GLU HBy A 104 ARG HDy 1.0 1.8 5.54 1356 906 A 95 GLU HBx A 104 ARG HDx 1.0 1.8 5.54 1357 907 A 95 GLU HGx A 104 ARG HDx 1.0 1.8 4.96 1358 907 A 104 ARG HDy A 95 GLU HGx 1.0 1.8 4.96 1359 907 A 95 GLU HGy A 104 ARG HDy 1.0 1.8 4.96 1360 907 A 95 GLU HGy A 104 ARG HDx 1.0 1.8 4.96 1361 908 A 98 ASP HA A 97 GLY HAx 1.0 1.8 5.82 1362 908 A 98 ASP HA A 97 GLY HAy 1.0 1.8 5.82 1363 909 A 97 GLY HAx A 112 PRO HBy 1.0 1.8 4.26 1364 909 A 97 GLY HAy A 112 PRO HBy 1.0 1.8 4.26 1365 909 A 112 PRO HBx A 97 GLY HAx 1.0 1.8 4.26 1366 909 A 97 GLY HAy A 112 PRO HBx 1.0 1.8 4.26 1367 910 A 98 ASP H A 98 ASP HBy 1.0 1.8 3.64 1368 910 A 98 ASP H A 98 ASP HBx 1.0 1.8 3.64 1369 911 A 99 GLU H A 98 ASP HBy 1.0 1.8 4.55 1370 911 A 99 GLU H A 98 ASP HBx 1.0 1.8 4.55 1371 912 A 100 VAL H A 98 ASP HBy 1.0 1.8 5.40 1372 912 A 100 VAL H A 98 ASP HBx 1.0 1.8 5.40 1373 913 A 98 ASP HBx A 100 VAL HG2% 1.0 1.8 3.63 1374 913 A 98 ASP HBy A 100 VAL HG2% 1.0 1.8 3.63 1375 913 A 100 VAL HG1% A 98 ASP HBy 1.0 1.8 3.63 1376 913 A 100 VAL HG1% A 98 ASP HBx 1.0 1.8 3.63 1377 914 A 99 GLU H A 99 GLU HBy 1.0 1.8 3.82 1378 914 A 99 GLU H A 99 GLU HBx 1.0 1.8 3.82 1379 915 A 100 VAL H A 100 VAL HG2% 1.0 1.8 3.93 1380 915 A 100 VAL H A 100 VAL HG1% 1.0 1.8 3.93 1381 916 A 100 VAL HA A 100 VAL HG2% 1.0 1.8 3.21 1382 916 A 100 VAL HA A 100 VAL HG1% 1.0 1.8 3.21 1383 917 A 101 ILE H A 100 VAL HG2% 1.0 1.8 4.06 1384 917 A 101 ILE H A 100 VAL HG1% 1.0 1.8 4.06 1385 918 A 102 ALA HB% A 100 VAL HG2% 1.0 1.8 4.08 1386 918 A 102 ALA HB% A 100 VAL HG1% 1.0 1.8 4.08 1387 919 A 101 ILE H A 101 ILE HG1y 1.0 1.8 4.51 1388 919 A 101 ILE H A 101 ILE HG1x 1.0 1.8 4.51 1389 920 A 101 ILE HG2% A 101 ILE HG1y 1.0 1.8 3.69 1390 920 A 101 ILE HG2% A 101 ILE HG1x 1.0 1.8 3.69 1391 921 A 102 ALA HA A 103 PRO HBy 1.0 1.8 5.63 1392 921 A 102 ALA HA A 103 PRO HBx 1.0 1.8 5.63 1393 922 A 102 ALA HB% A 103 PRO HBy 1.0 1.8 5.04 1394 922 A 102 ALA HB% A 103 PRO HBx 1.0 1.8 5.04 1395 923 A 104 ARG H A 103 PRO HBy 1.0 1.8 4.06 1396 923 A 104 ARG H A 103 PRO HBx 1.0 1.8 4.06 1397 924 A 104 ARG HA A 103 PRO HBy 1.0 1.8 4.77 1398 924 A 104 ARG HA A 103 PRO HBx 1.0 1.8 4.77 1399 925 A 103 PRO HBy A 104 ARG HGy 1.0 1.8 5.26 1400 925 A 104 ARG HGx A 103 PRO HBy 1.0 1.8 5.26 1401 925 A 103 PRO HBx A 104 ARG HGx 1.0 1.8 5.26 1402 925 A 103 PRO HBx A 104 ARG HGy 1.0 1.8 5.26 1403 926 A 103 PRO HBy A 104 ARG HDx 1.0 1.8 4.02 1404 926 A 103 PRO HBx A 104 ARG HDx 1.0 1.8 4.02 1405 926 A 104 ARG HDy A 103 PRO HBy 1.0 1.8 4.02 1406 926 A 104 ARG HDy A 103 PRO HBx 1.0 1.8 4.02 1407 927 A 104 ARG HA A 104 ARG HGy 1.0 1.8 3.99 1408 927 A 104 ARG HA A 104 ARG HGx 1.0 1.8 3.99 1409 928 A 104 ARG HBx A 104 ARG HDx 1.0 1.8 3.29 1410 928 A 104 ARG HBy A 104 ARG HDx 1.0 1.8 3.29 1411 928 A 104 ARG HDy A 104 ARG HBx 1.0 1.8 3.29 1412 928 A 104 ARG HDy A 104 ARG HBy 1.0 1.8 3.29 1413 929 A 106 TYR H A 106 TYR HBy 1.0 1.8 4.07 1414 929 A 106 TYR H A 106 TYR HBx 1.0 1.8 4.07 1415 930 A 108 SER HA A 109 PHE HBy 1.0 1.8 4.77 1416 930 A 108 SER HA A 109 PHE HBx 1.0 1.8 4.77 1417 931 A 109 PHE H A 109 PHE HBy 1.0 1.8 3.98 1418 931 A 109 PHE H A 109 PHE HBx 1.0 1.8 3.98 1419 932 A 111 ALA H A 110 SER HBy 1.0 1.8 4.08 1420 932 A 111 ALA H A 110 SER HBx 1.0 1.8 4.08 1421 933 A 111 ALA HA A 110 SER HBy 1.0 1.8 5.70 1422 933 A 111 ALA HA A 110 SER HBx 1.0 1.8 5.70 1423 934 A 111 ALA HB% A 110 SER HBy 1.0 1.8 4.62 1424 934 A 111 ALA HB% A 110 SER HBx 1.0 1.8 4.62 1425 935 A 114 ASP HA A 110 SER HBy 1.0 1.8 5.41 1426 935 A 114 ASP HA A 110 SER HBx 1.0 1.8 5.41 1427 936 A 110 SER HBx A 114 ASP HBy 1.0 1.8 4.53 1428 936 A 114 ASP HBx A 110 SER HBy 1.0 1.8 4.53 1429 936 A 110 SER HBx A 114 ASP HBx 1.0 1.8 4.53 1430 936 A 110 SER HBy A 114 ASP HBy 1.0 1.8 4.53 1431 937 A 111 ALA HB% A 113 ASP HBy 1.0 1.8 5.80 1432 937 A 111 ALA HB% A 113 ASP HBx 1.0 1.8 5.80 1433 938 A 113 ASP H A 112 PRO HBy 1.0 1.8 3.99 1434 938 A 113 ASP H A 112 PRO HBx 1.0 1.8 3.99 1435 939 A 113 ASP HA A 112 PRO HBy 1.0 1.8 5.87 1436 939 A 113 ASP HA A 112 PRO HBx 1.0 1.8 5.87 1437 940 A 112 PRO HBy A 113 ASP HBy 1.0 1.8 5.59 1438 940 A 112 PRO HBx A 113 ASP HBy 1.0 1.8 5.59 1439 940 A 113 ASP HBx A 112 PRO HBy 1.0 1.8 5.59 1440 940 A 112 PRO HBx A 113 ASP HBx 1.0 1.8 5.59 1441 941 A 112 PRO HGx A 113 ASP HBy 1.0 1.8 5.75 1442 941 A 112 PRO HGy A 113 ASP HBy 1.0 1.8 5.75 1443 941 A 113 ASP HBx A 112 PRO HGx 1.0 1.8 5.75 1444 941 A 112 PRO HGy A 113 ASP HBx 1.0 1.8 5.75 1445 942 A 113 ASP H A 113 ASP HBy 1.0 1.8 3.55 1446 942 A 113 ASP H A 113 ASP HBx 1.0 1.8 3.55 1447 943 A 114 ASP H A 114 ASP HBy 1.0 1.8 3.26 1448 943 A 114 ASP H A 114 ASP HBx 1.0 1.8 3.26 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _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 33 SER N A 29 ALA O 1.0 0.0 3.0 2 2 A 33 SER H A 29 ALA O 1.0 0.0 2.0 3 3 A 34 VAL N A 30 THR O 1.0 0.0 3.0 4 4 A 34 VAL H A 30 THR O 1.0 0.0 2.0 5 5 A 35 LEU N A 31 PHE O 1.0 0.0 3.0 6 6 A 35 LEU H A 31 PHE O 1.0 0.0 2.0 7 7 A 36 SER N A 32 ASP O 1.0 0.0 3.0 8 8 A 36 SER H A 32 ASP O 1.0 0.0 2.0 9 9 A 37 LYS N A 33 SER O 1.0 0.0 3.0 10 10 A 37 LYS H A 33 SER O 1.0 0.0 2.0 11 11 A 38 ALA N A 34 VAL O 1.0 0.0 3.0 12 12 A 38 ALA H A 34 VAL O 1.0 0.0 2.0 13 13 A 54 LEU N A 50 LEU O 1.0 0.0 3.0 14 14 A 54 LEU H A 50 LEU O 1.0 0.0 2.0 15 15 A 55 ASP N A 51 ASP O 1.0 0.0 3.0 16 16 A 51 ASP O A 55 ASP H 1.0 0.0 2.0 17 17 A 56 VAL N A 52 GLU O 1.0 0.0 3.0 18 18 A 56 VAL H A 52 GLU O 1.0 0.0 2.0 19 19 A 57 VAL N A 53 LEU O 1.0 0.0 3.0 20 20 A 57 VAL H A 53 LEU O 1.0 0.0 2.0 21 21 A 58 LEU N A 54 LEU O 1.0 0.0 3.0 22 22 A 58 LEU H A 54 LEU O 1.0 0.0 2.0 23 23 A 59 ASP N A 55 ASP O 1.0 0.0 3.0 24 24 A 59 ASP H A 55 ASP O 1.0 0.0 2.0 25 25 A 60 ALA N A 56 VAL O 1.0 0.0 3.0 26 26 A 60 ALA H A 56 VAL O 1.0 0.0 2.0 27 27 A 61 VAL N A 57 VAL O 1.0 0.0 3.0 28 28 A 61 VAL H A 57 VAL O 1.0 0.0 2.0 29 29 A 62 GLU N A 58 LEU O 1.0 0.0 3.0 30 30 A 62 GLU H A 58 LEU O 1.0 0.0 2.0 31 31 A 63 SER N A 59 ASP O 1.0 0.0 3.0 32 32 A 63 SER H A 59 ASP O 1.0 0.0 2.0 33 33 A 64 THR N A 60 ALA O 1.0 0.0 3.0 34 34 A 64 THR H A 60 ALA O 1.0 0.0 2.0 35 35 A 65 LEU N A 61 VAL O 1.0 0.0 3.0 36 36 A 65 LEU H A 61 VAL O 1.0 0.0 2.0 37 37 A 80 ALA N A 76 THR O 1.0 0.0 3.0 38 38 A 80 ALA H A 76 THR O 1.0 0.0 2.0 39 39 A 81 LEU N A 77 LYS O 1.0 0.0 3.0 40 40 A 81 LEU H A 77 LYS O 1.0 0.0 2.0 41 41 A 82 LEU N A 78 VAL O 1.0 0.0 3.0 42 42 A 78 VAL O A 82 LEU H 1.0 0.0 2.0 43 43 A 83 ASP N A 79 CYS O 1.0 0.0 3.0 44 44 A 79 CYS O A 83 ASP H 1.0 0.0 2.0 45 45 A 84 ARG N A 80 ALA O 1.0 0.0 3.0 46 46 A 84 ARG H A 80 ALA O 1.0 0.0 2.0 47 47 A 85 LEU N A 81 LEU O 1.0 0.0 3.0 48 48 A 85 LEU H A 81 LEU O 1.0 0.0 2.0 49 49 A 86 ALA N A 82 LEU O 1.0 0.0 3.0 50 50 A 86 ALA H A 82 LEU O 1.0 0.0 2.0 51 51 A 19 ARG N A 44 VAL O 1.0 0.0 3.0 52 52 A 19 ARG H A 44 VAL O 1.0 0.0 2.0 53 53 A 44 VAL N A 19 ARG O 1.0 0.0 3.0 54 54 A 44 VAL H A 19 ARG O 1.0 0.0 2.0 55 55 A 21 ILE N A 42 PHE O 1.0 0.0 3.0 56 56 A 21 ILE H A 42 PHE O 1.0 0.0 2.0 57 57 A 42 PHE N A 21 ILE O 1.0 0.0 3.0 58 58 A 42 PHE H A 21 ILE O 1.0 0.0 2.0 59 59 A 108 SER N A 91 TYR O 1.0 0.0 3.0 60 60 A 108 SER H A 91 TYR O 1.0 0.0 2.0 61 61 A 91 TYR N A 108 SER O 1.0 0.0 3.0 62 62 A 91 TYR H A 108 SER O 1.0 0.0 2.0 63 63 A 93 PHE N A 106 TYR O 1.0 0.0 3.0 64 64 A 93 PHE H A 106 TYR O 1.0 0.0 2.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 8 ASP C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -133.1 -36.5 PHI 2 2 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 PRO N 1.0 118.2 158.7 PSI 3 3 A 12 VAL C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -157.6 -41.8 PHI 4 4 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 LYS N 1.0 91.7 185.9 PSI 5 5 A 13 ARG C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -136.1 -53.5 PHI 6 6 A 14 LYS N A 14 LYS CA A 14 LYS C A 15 ILE N 1.0 96.7 175.4 PSI 7 7 A 14 LYS C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -139.9 -44.7 PHI 8 8 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 PRO N 1.0 77.9 169.2 PSI 9 9 A 16 PRO C A 17 SER N A 17 SER CA A 17 SER C 1.0 -124.3 -61.9 PHI 10 10 A 17 SER N A 17 SER CA A 17 SER C A 18 THR N 1.0 -39.2 13.1 PSI 11 11 A 17 SER C A 18 THR N A 18 THR CA A 18 THR C 1.0 -166.9 -89.0 PHI 12 12 A 18 THR N A 18 THR CA A 18 THR C A 19 ARG N 1.0 133.9 189.2 PSI 13 13 A 18 THR C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -181.0 -105.8 PHI 14 14 A 19 ARG N A 19 ARG CA A 19 ARG C A 20 LYS N 1.0 121.7 176.9 PSI 15 15 A 19 ARG C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -150.7 -74.1 PHI 16 16 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 ILE N 1.0 107.0 149.2 PSI 17 17 A 20 LYS C A 21 ILE N A 21 ILE CA A 21 ILE C 1.0 -140.2 -92.8 PHI 18 18 A 21 ILE N A 21 ILE CA A 21 ILE C A 22 LYS N 1.0 118.0 146.2 PSI 19 19 A 21 ILE C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -137.8 -90.7 PHI 20 20 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 ILE N 1.0 95.8 145.6 PSI 21 21 A 22 LYS C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -130.3 -85.9 PHI 22 22 A 23 ILE N A 23 ILE CA A 23 ILE C A 24 THR N 1.0 98.4 140.8 PSI 23 23 A 23 ILE C A 24 THR N A 24 THR CA A 24 THR C 1.0 -133.9 -68.9 PHI 24 24 A 24 THR N A 24 THR CA A 24 THR C A 25 PHE N 1.0 97.1 145.0 PSI 25 25 A 24 THR C A 25 PHE N A 25 PHE CA A 25 PHE C 1.0 -167.1 -37.5 PHI 26 26 A 25 PHE N A 25 PHE CA A 25 PHE C A 26 ALA N 1.0 109.1 142.3 PSI 27 27 A 25 PHE C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -134.8 -59.9 PHI 28 28 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 LEU N 1.0 109.9 151.2 PSI 29 29 A 29 ALA C A 30 THR N A 30 THR CA A 30 THR C 1.0 -83.3 -46.1 PHI 30 30 A 30 THR N A 30 THR CA A 30 THR C A 31 PHE N 1.0 -58.5 -3.6 PSI 31 31 A 30 THR C A 31 PHE N A 31 PHE CA A 31 PHE C 1.0 -147.3 -30.2 PHI 32 32 A 31 PHE N A 31 PHE CA A 31 PHE C A 32 ASP N 1.0 -82.0 43.0 PSI 33 33 A 32 ASP C A 33 SER N A 33 SER CA A 33 SER C 1.0 -77.6 -49.1 PHI 34 34 A 33 SER N A 33 SER CA A 33 SER C A 34 VAL N 1.0 -57.0 -21.5 PSI 35 35 A 33 SER C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -87.6 -43.0 PHI 36 36 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 LEU N 1.0 -67.5 -20.4 PSI 37 37 A 34 VAL C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -75.3 -52.4 PHI 38 38 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 SER N 1.0 -62.7 -14.2 PSI 39 39 A 35 LEU C A 36 SER N A 36 SER CA A 36 SER C 1.0 -73.1 -52.1 PHI 40 40 A 36 SER N A 36 SER CA A 36 SER C A 37 LYS N 1.0 -58.8 -23.6 PSI 41 41 A 36 SER C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -95.5 -55.1 PHI 42 42 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 ALA N 1.0 -61.5 -17.0 PSI 43 43 A 37 LYS C A 38 ALA N A 38 ALA CA A 38 ALA C 1.0 -99.3 -55.3 PHI 44 44 A 38 ALA N A 38 ALA CA A 38 ALA C A 39 CYS N 1.0 -53.5 -12.8 PSI 45 45 A 40 SER C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -174.1 -65.5 PHI 46 46 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 PHE N 1.0 111.5 168.4 PSI 47 47 A 41 GLU C A 42 PHE N A 42 PHE CA A 42 PHE C 1.0 -171.2 -85.9 PHI 48 48 A 42 PHE N A 42 PHE CA A 42 PHE C A 43 GLU N 1.0 100.9 156.4 PSI 49 49 A 42 PHE C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -143.3 -85.3 PHI 50 50 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 VAL N 1.0 101.1 168.1 PSI 51 51 A 43 GLU C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -160.7 -123.0 PHI 52 52 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 ASP N 1.0 140.8 186.3 PSI 53 53 A 44 VAL C A 45 ASP N A 45 ASP CA A 45 ASP C 1.0 -145.1 -24.4 PHI 54 54 A 45 ASP N A 45 ASP CA A 45 ASP C A 46 LYS N 1.0 128.1 169.4 PSI 55 55 A 45 ASP C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -90.3 -38.2 PHI 56 56 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 ASP N 1.0 -60.0 -9.9 PSI 57 57 A 47 ASP C A 48 VAL N A 48 VAL CA A 48 VAL C 1.0 -149.9 -38.0 PHI 58 58 A 48 VAL N A 48 VAL CA A 48 VAL C A 49 THR N 1.0 106.0 181.0 PSI 59 59 A 48 VAL C A 49 THR N A 49 THR CA A 49 THR C 1.0 -129.6 -61.2 PHI 60 60 A 49 THR N A 49 THR CA A 49 THR C A 50 LEU N 1.0 150.2 183.4 PSI 61 61 A 49 THR C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -71.1 -51.1 PHI 62 62 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 ASP N 1.0 -50.7 -22.7 PSI 63 63 A 50 LEU C A 51 ASP N A 51 ASP CA A 51 ASP C 1.0 -70.0 -50.0 PHI 64 64 A 51 ASP N A 51 ASP CA A 51 ASP C A 52 GLU N 1.0 -52.1 -30.1 PSI 65 65 A 51 ASP C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -75.4 -55.4 PHI 66 66 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 LEU N 1.0 -52.9 -28.1 PSI 67 67 A 52 GLU C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -77.6 -52.9 PHI 68 68 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 LEU N 1.0 -54.0 -26.4 PSI 69 69 A 53 LEU C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -72.0 -50.8 PHI 70 70 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 ASP N 1.0 -56.3 -30.4 PSI 71 71 A 54 LEU C A 55 ASP N A 55 ASP CA A 55 ASP C 1.0 -74.3 -54.3 PHI 72 72 A 55 ASP N A 55 ASP CA A 55 ASP C A 56 VAL N 1.0 -51.5 -28.5 PSI 73 73 A 55 ASP C A 56 VAL N A 56 VAL CA A 56 VAL C 1.0 -77.6 -57.6 PHI 74 74 A 56 VAL N A 56 VAL CA A 56 VAL C A 57 VAL N 1.0 -55.0 -26.8 PSI 75 75 A 56 VAL C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -75.9 -55.9 PHI 76 76 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 LEU N 1.0 -53.0 -30.9 PSI 77 77 A 57 VAL C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -69.1 -47.8 PHI 78 78 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 ASP N 1.0 -53.0 -30.8 PSI 79 79 A 58 LEU C A 59 ASP N A 59 ASP CA A 59 ASP C 1.0 -72.7 -52.6 PHI 80 80 A 59 ASP N A 59 ASP CA A 59 ASP C A 60 ALA N 1.0 -53.5 -33.5 PSI 81 81 A 59 ASP C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -79.2 -55.4 PHI 82 82 A 60 ALA N A 60 ALA CA A 60 ALA C A 61 VAL N 1.0 -53.3 -23.1 PSI 83 83 A 60 ALA C A 61 VAL N A 61 VAL CA A 61 VAL C 1.0 -78.0 -58.0 PHI 84 84 A 61 VAL N A 61 VAL CA A 61 VAL C A 62 GLU N 1.0 -52.6 -31.2 PSI 85 85 A 61 VAL C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -72.3 -52.3 PHI 86 86 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 SER N 1.0 -51.4 -30.7 PSI 87 87 A 62 GLU C A 63 SER N A 63 SER CA A 63 SER C 1.0 -79.3 -50.7 PHI 88 88 A 63 SER N A 63 SER CA A 63 SER C A 64 THR N 1.0 -53.8 -25.6 PSI 89 89 A 63 SER C A 64 THR N A 64 THR CA A 64 THR C 1.0 -88.0 -45.4 PHI 90 90 A 64 THR N A 64 THR CA A 64 THR C A 65 LEU N 1.0 -55.0 -35.0 PSI 91 91 A 64 THR C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -107.4 -55.0 PHI 92 92 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 SER N 1.0 -61.8 23.0 PSI 93 93 A 65 LEU C A 66 SER N A 66 SER CA A 66 SER C 1.0 -77.1 -35.0 PHI 94 94 A 66 SER N A 66 SER CA A 66 SER C A 67 PRO N 1.0 -58.4 -24.4 PSI 95 95 A 67 PRO C A 68 CYS N A 68 CYS CA A 68 CYS C 1.0 -132.3 -68.8 PHI 96 96 A 68 CYS N A 68 CYS CA A 68 CYS C A 69 LYS N 1.0 -36.2 35.9 PSI 97 97 A 68 CYS C A 69 LYS N A 69 LYS CA A 69 LYS C 1.0 -67.1 -47.1 PHI 98 98 A 69 LYS N A 69 LYS CA A 69 LYS C A 70 GLU N 1.0 -48.8 -6.7 PSI 99 99 A 69 LYS C A 70 GLU N A 70 GLU CA A 70 GLU C 1.0 -117.8 -76.4 PHI 100 100 A 70 GLU N A 70 GLU CA A 70 GLU C A 71 HIS N 1.0 -42.7 27.9 PSI 101 101 A 70 GLU C A 71 HIS N A 71 HIS CA A 71 HIS C 1.0 -145.8 -28.7 PHI 102 102 A 71 HIS N A 71 HIS CA A 71 HIS C A 72 ASP N 1.0 90.5 167.4 PSI 103 103 A 71 HIS C A 72 ASP N A 72 ASP CA A 72 ASP C 1.0 -77.8 -56.0 PHI 104 104 A 72 ASP N A 72 ASP CA A 72 ASP C A 73 VAL N 1.0 -62.0 -9.7 PSI 105 105 A 72 ASP C A 73 VAL N A 73 VAL CA A 73 VAL C 1.0 -97.0 -35.9 PHI 106 106 A 73 VAL N A 73 VAL CA A 73 VAL C A 74 ILE N 1.0 -56.6 -20.2 PSI 107 107 A 73 VAL C A 74 ILE N A 74 ILE CA A 74 ILE C 1.0 -117.5 -65.2 PHI 108 108 A 74 ILE N A 74 ILE CA A 74 ILE C A 75 GLY N 1.0 -33.0 19.6 PSI 109 109 A 75 GLY C A 76 THR N A 76 THR CA A 76 THR C 1.0 -74.9 -54.9 PHI 110 110 A 76 THR N A 76 THR CA A 76 THR C A 77 LYS N 1.0 -54.5 -34.0 PSI 111 111 A 76 THR C A 77 LYS N A 77 LYS CA A 77 LYS C 1.0 -74.7 -54.7 PHI 112 112 A 77 LYS N A 77 LYS CA A 77 LYS C A 78 VAL N 1.0 -51.7 -31.7 PSI 113 113 A 77 LYS C A 78 VAL N A 78 VAL CA A 78 VAL C 1.0 -75.3 -55.3 PHI 114 114 A 78 VAL N A 78 VAL CA A 78 VAL C A 79 CYS N 1.0 -53.6 -32.9 PSI 115 115 A 78 VAL C A 79 CYS N A 79 CYS CA A 79 CYS C 1.0 -71.4 -48.0 PHI 116 116 A 79 CYS N A 79 CYS CA A 79 CYS C A 80 ALA N 1.0 -49.7 -29.7 PSI 117 117 A 79 CYS C A 80 ALA N A 80 ALA CA A 80 ALA C 1.0 -75.3 -51.2 PHI 118 118 A 80 ALA N A 80 ALA CA A 80 ALA C A 81 LEU N 1.0 -57.2 -30.8 PSI 119 119 A 80 ALA C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -71.7 -51.7 PHI 120 120 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 LEU N 1.0 -56.6 -28.1 PSI 121 121 A 82 LEU C A 83 ASP N A 83 ASP CA A 83 ASP C 1.0 -72.2 -51.4 PHI 122 122 A 83 ASP N A 83 ASP CA A 83 ASP C A 84 ARG N 1.0 -55.3 -29.5 PSI 123 123 A 83 ASP C A 84 ARG N A 84 ARG CA A 84 ARG C 1.0 -73.7 -53.7 PHI 124 124 A 84 ARG N A 84 ARG CA A 84 ARG C A 85 LEU N 1.0 -59.0 -29.6 PSI 125 125 A 84 ARG C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -75.6 -55.6 PHI 126 126 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 ALA N 1.0 -54.3 -11.6 PSI 127 127 A 85 LEU C A 86 ALA N A 86 ALA CA A 86 ALA C 1.0 -109.2 -60.0 PHI 128 128 A 86 ALA N A 86 ALA CA A 86 ALA C A 87 GLY N 1.0 -47.0 13.8 PSI 129 129 A 89 TYR C A 90 VAL N A 90 VAL CA A 90 VAL C 1.0 -149.3 -52.1 PHI 130 130 A 90 VAL N A 90 VAL CA A 90 VAL C A 91 TYR N 1.0 94.4 168.7 PSI 131 131 A 90 VAL C A 91 TYR N A 91 TYR CA A 91 TYR C 1.0 -144.9 -65.0 PHI 132 132 A 91 TYR N A 91 TYR CA A 91 TYR C A 92 LEU N 1.0 123.4 164.0 PSI 133 133 A 91 TYR C A 92 LEU N A 92 LEU CA A 92 LEU C 1.0 -161.6 -102.6 PHI 134 134 A 92 LEU N A 92 LEU CA A 92 LEU C A 93 PHE N 1.0 122.2 183.4 PSI 135 135 A 92 LEU C A 93 PHE N A 93 PHE CA A 93 PHE C 1.0 -177.5 -106.4 PHI 136 136 A 93 PHE N A 93 PHE CA A 93 PHE C A 94 ASP N 1.0 134.5 176.1 PSI 137 137 A 93 PHE C A 94 ASP N A 94 ASP CA A 94 ASP C 1.0 -109.4 -74.8 PHI 138 138 A 94 ASP N A 94 ASP CA A 94 ASP C A 95 GLU N 1.0 148.4 203.8 PSI 139 139 A 94 ASP C A 95 GLU N A 95 GLU CA A 95 GLU C 1.0 -74.9 -41.2 PHI 140 140 A 95 GLU N A 95 GLU CA A 95 GLU C A 96 GLY N 1.0 -58.1 15.4 PSI 141 141 A 97 GLY C A 98 ASP N A 98 ASP CA A 98 ASP C 1.0 -158.8 -42.1 PHI 142 142 A 98 ASP N A 98 ASP CA A 98 ASP C A 99 GLU N 1.0 105.7 163.9 PSI 143 143 A 98 ASP C A 99 GLU N A 99 GLU CA A 99 GLU C 1.0 -148.1 -41.3 PHI 144 144 A 99 GLU N A 99 GLU CA A 99 GLU C A 100 VAL N 1.0 90.4 182.2 PSI 145 145 A 99 GLU C A 100 VAL N A 100 VAL CA A 100 VAL C 1.0 -179.7 -89.1 PHI 146 146 A 100 VAL N A 100 VAL CA A 100 VAL C A 101 ILE N 1.0 132.1 183.4 PSI 147 147 A 100 VAL C A 101 ILE N A 101 ILE CA A 101 ILE C 1.0 -129.8 -60.6 PHI 148 148 A 101 ILE N A 101 ILE CA A 101 ILE C A 102 ALA N 1.0 85.3 156.8 PSI 149 149 A 101 ILE C A 102 ALA N A 102 ALA CA A 102 ALA C 1.0 -161.5 -64.9 PHI 150 150 A 102 ALA N A 102 ALA CA A 102 ALA C A 103 PRO N 1.0 110.5 196.2 PSI 151 151 A 104 ARG C A 105 MET N A 105 MET CA A 105 MET C 1.0 -162.9 -104.0 PHI 152 152 A 105 MET N A 105 MET CA A 105 MET C A 106 TYR N 1.0 126.5 180.9 PSI 153 153 A 105 MET C A 106 TYR N A 106 TYR CA A 106 TYR C 1.0 -181.8 -78.8 PHI 154 154 A 106 TYR N A 106 TYR CA A 106 TYR C A 107 CYS N 1.0 97.1 182.9 PSI 155 155 A 106 TYR C A 107 CYS N A 107 CYS CA A 107 CYS C 1.0 -160.8 -79.2 PHI 156 156 A 107 CYS N A 107 CYS CA A 107 CYS C A 108 SER N 1.0 97.5 162.9 PSI 157 157 A 107 CYS C A 108 SER N A 108 SER CA A 108 SER C 1.0 -177.7 -100.4 PHI 158 158 A 108 SER N A 108 SER CA A 108 SER C A 109 PHE N 1.0 97.3 212.0 PSI 159 159 A 110 SER C A 111 ALA N A 111 ALA CA A 111 ALA C 1.0 -109.8 -52.9 PHI 160 160 A 111 ALA N A 111 ALA CA A 111 ALA C A 112 PRO N 1.0 124.5 169.1 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 3 LYS N A 3 LYS H 1.0 . . . 2 2 A 4 VAL N A 4 VAL H 1.0 . . . 3 3 A 5 GLU N A 5 GLU H 1.0 . . . 4 4 A 6 PHE N A 6 PHE H 1.0 . . . 5 5 A 7 ASN N A 7 ASN H 1.0 . . . 6 6 A 8 ASP N A 8 ASP H 1.0 . . . 7 7 A 9 LYS N A 9 LYS H 1.0 . . . 8 8 A 11 LYS N A 11 LYS H 1.0 . . . 9 9 A 12 VAL N A 12 VAL H 1.0 . . . 10 10 A 13 ARG N A 13 ARG H 1.0 . . . 11 11 A 14 LYS N A 14 LYS H 1.0 . . . 12 12 A 18 THR N A 18 THR H 1.0 . . . 13 13 A 20 LYS N A 20 LYS H 1.0 . . . 14 14 A 22 LYS N A 22 LYS H 1.0 . . . 15 15 A 24 THR N A 24 THR H 1.0 . . . 16 16 A 26 ALA N A 26 ALA H 1.0 . . . 17 17 A 27 LEU N A 27 LEU H 1.0 . . . 18 18 A 31 PHE N A 31 PHE H 1.0 . . . 19 19 A 32 ASP N A 32 ASP H 1.0 . . . 20 20 A 39 CYS N A 39 CYS H 1.0 . . . 21 21 A 41 GLU N A 41 GLU H 1.0 . . . 22 22 A 43 GLU N A 43 GLU H 1.0 . . . 23 23 A 44 VAL N A 44 VAL H 1.0 . . . 24 24 A 45 ASP N A 45 ASP H 1.0 . . . 25 25 A 46 LYS N A 46 LYS H 1.0 . . . 26 26 A 47 ASP N A 47 ASP H 1.0 . . . 27 27 A 49 THR N A 49 THR H 1.0 . . . 28 28 A 50 LEU N A 50 LEU H 1.0 . . . 29 29 A 54 LEU N A 54 LEU H 1.0 . . . 30 30 A 56 VAL N A 56 VAL H 1.0 . . . 31 31 A 57 VAL N A 57 VAL H 1.0 . . . 32 32 A 59 ASP N A 59 ASP H 1.0 . . . 33 33 A 62 GLU N A 62 GLU H 1.0 . . . 34 34 A 64 THR N A 64 THR H 1.0 . . . 35 35 A 72 ASP N A 72 ASP H 1.0 . . . 36 36 A 75 GLY N A 75 GLY H 1.0 . . . 37 37 A 76 THR N A 76 THR H 1.0 . . . 38 38 A 78 VAL N A 78 VAL H 1.0 . . . 39 39 A 89 TYR N A 89 TYR H 1.0 . . . 40 40 A 90 VAL N A 90 VAL H 1.0 . . . 41 41 A 92 LEU N A 92 LEU H 1.0 . . . 42 42 A 96 GLY N A 96 GLY H 1.0 . . . 43 43 A 101 ILE N A 101 ILE H 1.0 . . . 44 44 A 110 SER N A 110 SER H 1.0 . . . 45 45 A 114 ASP N A 114 ASP H 1.0 . . . stop_ save_