data_nef_c17414_2l8l 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 CYS start . . 2 A 2 LEU middle . . 3 A 3 ALA middle . . 4 A 4 GLU middle . . 5 A 5 GLY middle . false 6 A 6 THR middle . . 7 A 7 ARG middle . . 8 A 8 ILE middle . . 9 A 9 PHE middle . . 10 A 10 ASP middle . . 11 A 11 PRO middle . false 12 A 12 VAL middle . . 13 A 13 THR middle . . 14 A 14 GLY middle . false 15 A 15 THR middle . . 16 A 16 THR middle . . 17 A 17 HIS middle . . 18 A 18 ARG middle . . 19 A 19 ILE middle . . 20 A 20 GLU middle . . 21 A 21 ASP middle . . 22 A 22 VAL middle . . 23 A 23 VAL middle . . 24 A 24 ASP middle . . 25 A 25 GLY middle . false 26 A 26 ARG middle . . 27 A 27 LYS middle . . 28 A 28 PRO middle . false 29 A 29 ILE middle . . 30 A 30 HIS middle . . 31 A 31 VAL middle . . 32 A 32 VAL middle . . 33 A 33 ALA middle . . 34 A 34 ALA middle . . 35 A 35 ALA middle . . 36 A 36 LYS middle . . 37 A 37 ASP middle . . 38 A 38 GLY middle . false 39 A 39 THR middle . . 40 A 40 LEU middle . . 41 A 41 HIS middle . . 42 A 42 ALA middle . . 43 A 43 ARG middle . . 44 A 44 PRO middle . false 45 A 45 VAL middle . . 46 A 46 VAL middle . . 47 A 47 SER middle . . 48 A 48 TRP middle . . 49 A 49 PHE middle . . 50 A 50 ASP middle . . 51 A 51 GLN middle . . 52 A 52 GLY middle . false 53 A 53 THR middle . . 54 A 54 ARG middle . . 55 A 55 ASP middle . . 56 A 56 VAL middle . . 57 A 57 ILE middle . . 58 A 58 GLY middle . false 59 A 59 LEU middle . . 60 A 60 ARG middle . . 61 A 61 ILE middle . . 62 A 62 ALA middle . . 63 A 63 GLY middle . false 64 A 64 GLY middle . false 65 A 65 ALA middle . . 66 A 66 ILE middle . . 67 A 67 LEU middle . . 68 A 68 TRP middle . . 69 A 69 ALA middle . . 70 A 70 THR middle . . 71 A 71 PRO middle . false 72 A 72 ASP middle . . 73 A 73 HIS middle . . 74 A 74 LYS middle . . 75 A 75 VAL middle . . 76 A 76 LEU middle . . 77 A 77 THR middle . . 78 A 78 GLU middle . . 79 A 79 TYR middle . . 80 A 80 GLY middle . false 81 A 81 TRP middle . . 82 A 82 ARG middle . . 83 A 83 ALA middle . . 84 A 84 ALA middle . . 85 A 85 GLY middle . false 86 A 86 GLU middle . . 87 A 87 LEU middle . . 88 A 88 ARG middle . . 89 A 89 LYS middle . . 90 A 90 GLY middle . false 91 A 91 ASP middle . . 92 A 92 ARG middle . . 93 A 93 VAL middle . . 94 A 94 ALA middle . . 95 A 95 VAL middle . . 96 A 96 ARG middle . . 97 A 97 ASP middle . . 98 A 98 VAL middle . . 99 A 99 GLU middle . . 100 A 100 THR middle . . 101 A 101 GLY middle . false 102 A 102 GLU middle . . 103 A 103 LEU middle . . 104 A 104 ARG middle . . 105 A 105 TYR middle . . 106 A 106 SER middle . . 107 A 107 VAL middle . . 108 A 108 ILE middle . . 109 A 109 ARG middle . . 110 A 110 GLU middle . . 111 A 111 VAL middle . . 112 A 112 LEU middle . . 113 A 113 PRO middle . false 114 A 114 THR middle . . 115 A 115 ARG middle . . 116 A 116 ARG middle . . 117 A 117 ALA middle . . 118 A 118 ARG middle . . 119 A 119 THR middle . . 120 A 120 PHE middle . . 121 A 121 ASP middle . . 122 A 122 LEU middle . . 123 A 123 GLU middle . . 124 A 124 VAL middle . . 125 A 125 GLU middle . . 126 A 126 GLU middle . . 127 A 127 LEU middle . . 128 A 128 HIS middle . . 129 A 129 THR middle . . 130 A 130 LEU middle . . 131 A 131 VAL middle . . 132 A 132 ALA middle . . 133 A 133 GLU middle . . 134 A 134 GLY middle . false 135 A 135 VAL middle . . 136 A 136 VAL middle . . 137 A 137 VAL middle . . 138 A 138 HIS middle . . 139 A 139 ASN 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 CYS HA H 1 4.599 0.016 A 1 CYS HBy H 1 2.953 0.337 A 1 CYS HBx H 1 2.745 0.232 A 1 CYS CA C 13 56.805 0.155 A 1 CYS CB C 13 29.852 0.000 A 2 LEU H H 1 9.247 0.230 A 2 LEU HA H 1 5.005 0.070 A 2 LEU HBy H 1 1.821 0.008 A 2 LEU HBx H 1 1.582 0.064 A 2 LEU HD1% H 1 0.899 0.023 A 2 LEU HD2% H 1 0.482 0.024 A 2 LEU HG H 1 1.581 0.087 A 2 LEU CA C 13 53.355 0.033 A 2 LEU CB C 13 43.858 0.016 A 2 LEU CDy C 13 25.308 0.000 A 2 LEU CDx C 13 21.631 0.038 A 2 LEU CG C 13 26.550 0.000 A 2 LEU N N 15 122.945 0.504 A 3 ALA H H 1 8.186 0.015 A 3 ALA HA H 1 4.730 0.027 A 3 ALA HB% H 1 1.482 0.021 A 3 ALA CA C 13 52.302 0.000 A 3 ALA CB C 13 21.769 0.051 A 3 ALA N N 15 121.232 0.177 A 4 GLU H H 1 8.746 0.016 A 4 GLU HA H 1 4.074 0.084 A 4 GLU HB2 H 1 1.746 0.023 A 4 GLU HB3 H 1 1.746 0.023 A 4 GLU HGy H 1 2.260 0.023 A 4 GLU HGx H 1 2.088 0.027 A 4 GLU CA C 13 57.136 0.081 A 4 GLU CB C 13 31.847 0.000 A 4 GLU N N 15 121.283 0.310 A 5 GLY H H 1 11.322 0.045 A 5 GLY HAy H 1 4.505 0.029 A 5 GLY HAx H 1 3.657 0.021 A 5 GLY CA C 13 44.157 0.036 A 5 GLY N N 15 119.858 0.280 A 6 THR H H 1 7.904 0.020 A 6 THR HA H 1 4.301 0.030 A 6 THR HB H 1 4.116 0.024 A 6 THR HG2% H 1 1.392 0.021 A 6 THR CA C 13 65.228 0.077 A 6 THR CB C 13 68.654 0.025 A 6 THR N N 15 117.099 0.127 A 7 ARG H H 1 9.530 0.015 A 7 ARG HA H 1 4.878 0.030 A 7 ARG HBy H 1 1.837 0.027 A 7 ARG HBx H 1 1.505 0.002 A 7 ARG HDy H 1 3.311 0.000 A 7 ARG HDx H 1 3.251 0.027 A 7 ARG HGy H 1 1.525 0.000 A 7 ARG HGx H 1 1.147 0.003 A 7 ARG CA C 13 55.868 0.032 A 7 ARG N N 15 130.107 0.102 A 8 ILE H H 1 9.573 0.025 A 8 ILE HA H 1 4.531 0.027 A 8 ILE HB H 1 1.806 0.031 A 8 ILE HD1% H 1 0.736 0.028 A 8 ILE HG1y H 1 1.393 0.033 A 8 ILE HG1x H 1 1.330 0.051 A 8 ILE HG2% H 1 0.952 0.032 A 8 ILE CA C 13 59.240 0.092 A 8 ILE CB C 13 40.450 0.131 A 8 ILE CG2 C 13 17.976 0.343 A 8 ILE N N 15 123.872 0.403 A 9 PHE H H 1 8.242 0.094 A 9 PHE HA H 1 4.832 0.024 A 9 PHE HBy H 1 3.124 0.020 A 9 PHE HBx H 1 2.802 0.024 A 9 PHE HD1 H 1 6.958 0.026 A 9 PHE HD2 H 1 6.958 0.026 A 9 PHE HE1 H 1 7.098 0.012 A 9 PHE HE2 H 1 7.098 0.012 A 9 PHE HZ H 1 7.119 0.000 A 9 PHE CA C 13 56.960 0.040 A 9 PHE CB C 13 40.542 0.028 A 9 PHE N N 15 129.317 0.180 A 10 ASP H H 1 8.258 0.014 A 10 ASP HA H 1 5.529 0.026 A 10 ASP HBy H 1 3.168 0.029 A 10 ASP HBx H 1 2.558 0.021 A 10 ASP CA C 13 49.160 0.068 A 10 ASP CB C 13 43.037 0.044 A 10 ASP N N 15 128.073 0.093 A 11 PRO HA H 1 3.974 0.009 A 11 PRO HBy H 1 2.035 0.009 A 11 PRO HBx H 1 1.845 0.034 A 11 PRO HDy H 1 3.704 0.023 A 11 PRO HDx H 1 3.552 0.026 A 11 PRO CA C 13 62.348 0.033 A 11 PRO CB C 13 30.977 0.494 A 12 VAL H H 1 8.926 0.013 A 12 VAL HA H 1 3.591 0.023 A 12 VAL HB H 1 2.268 0.028 A 12 VAL HGx% H 1 0.663 0.022 A 12 VAL HGy% H 1 0.234 0.027 A 12 VAL CA C 13 64.849 0.089 A 12 VAL N N 15 124.105 0.114 A 13 THR H H 1 7.102 0.026 A 13 THR HA H 1 4.228 0.023 A 13 THR HB H 1 4.335 0.001 A 13 THR HG2% H 1 1.235 0.025 A 13 THR CA C 13 60.944 0.028 A 13 THR CB C 13 69.447 0.027 A 13 THR N N 15 107.133 0.133 A 14 GLY H H 1 8.354 0.005 A 14 GLY HAy H 1 4.061 0.019 A 14 GLY HAx H 1 3.615 0.026 A 14 GLY CA C 13 45.650 0.042 A 14 GLY N N 15 112.897 0.093 A 15 THR H H 1 7.635 0.012 A 15 THR HA H 1 4.276 0.028 A 15 THR HB H 1 3.776 0.024 A 15 THR HG2% H 1 0.679 0.024 A 15 THR CA C 13 61.382 0.015 A 15 THR CB C 13 70.037 0.040 A 15 THR N N 15 117.286 0.164 A 16 THR H H 1 8.495 0.014 A 16 THR HA H 1 4.911 0.037 A 16 THR HB H 1 3.930 0.021 A 16 THR HG2% H 1 1.131 0.028 A 16 THR CA C 13 62.321 0.062 A 16 THR CB C 13 69.184 0.171 A 16 THR N N 15 120.518 0.254 A 17 HIS H H 1 8.978 0.015 A 17 HIS HA H 1 4.586 0.027 A 17 HIS HBy H 1 2.975 0.021 A 17 HIS HBx H 1 2.579 0.024 A 17 HIS HD2 H 1 6.790 0.025 A 17 HIS HE1 H 1 7.627 0.000 A 17 HIS CA C 13 54.406 0.138 A 17 HIS CB C 13 35.299 0.046 A 17 HIS N N 15 127.011 0.200 A 18 ARG H H 1 9.339 0.016 A 18 ARG HA H 1 4.679 0.050 A 18 ARG HBy H 1 2.009 0.033 A 18 ARG HBx H 1 1.680 0.011 A 18 ARG HDx H 1 3.223 0.032 A 18 ARG HGx H 1 1.448 0.000 A 18 ARG CA C 13 54.802 0.000 A 18 ARG CB C 13 29.657 0.000 A 18 ARG N N 15 120.890 0.159 A 19 ILE H H 1 8.953 0.038 A 19 ILE HA H 1 3.696 0.024 A 19 ILE HB H 1 1.775 0.022 A 19 ILE HD1% H 1 0.891 0.019 A 19 ILE HG1y H 1 1.371 0.041 A 19 ILE HG1x H 1 1.084 0.058 A 19 ILE HG2% H 1 1.038 0.045 A 19 ILE CA C 13 66.021 0.032 A 19 ILE CB C 13 37.936 0.029 A 19 ILE CG1 C 13 28.782 1.033 A 19 ILE CG2 C 13 17.008 0.038 A 19 ILE N N 15 125.005 0.187 A 20 GLU H H 1 10.787 0.110 A 20 GLU HA H 1 2.787 0.033 A 20 GLU HBx H 1 1.516 0.026 A 20 GLU HGy H 1 2.400 0.032 A 20 GLU HGx H 1 2.141 0.028 A 20 GLU CA C 13 57.675 0.024 A 20 GLU CB C 13 28.945 0.000 A 20 GLU CG C 13 33.781 0.149 A 20 GLU N N 15 123.813 0.178 A 21 ASP H H 1 7.157 0.134 A 21 ASP HA H 1 4.489 0.045 A 21 ASP HBy H 1 2.994 0.022 A 21 ASP HBx H 1 2.724 0.048 A 21 ASP CA C 13 55.734 0.020 A 21 ASP CB C 13 40.038 0.013 A 21 ASP N N 15 123.330 1.208 A 22 VAL H H 1 7.371 0.023 A 22 VAL HA H 1 3.303 0.027 A 22 VAL HB H 1 2.369 0.024 A 22 VAL HG1% H 1 1.171 0.024 A 22 VAL HG2% H 1 0.902 0.026 A 22 VAL CA C 13 65.768 0.026 A 22 VAL CB C 13 31.327 0.037 A 22 VAL N N 15 121.407 0.395 A 23 VAL H H 1 8.250 0.076 A 23 VAL HA H 1 3.928 0.025 A 23 VAL HB H 1 1.839 0.031 A 23 VAL HGx% H 1 1.363 0.064 A 23 VAL HGy% H 1 1.149 0.028 A 23 VAL CA C 13 66.310 0.058 A 23 VAL CGy C 13 20.301 0.029 A 23 VAL N N 15 116.800 0.318 A 24 GLY H H 1 8.755 0.000 A 24 GLY N N 15 120.577 0.000 A 25 GLY H H 1 7.278 0.021 A 25 GLY HAy H 1 4.203 0.055 A 25 GLY HAx H 1 3.183 0.033 A 25 GLY CA C 13 43.755 0.100 A 25 GLY N N 15 103.034 0.781 A 26 ARG H H 1 7.276 0.033 A 26 ARG HA H 1 1.544 0.047 A 26 ARG HBy H 1 1.047 0.030 A 26 ARG HBx H 1 0.766 0.052 A 26 ARG HDy H 1 3.017 0.100 A 26 ARG HDx H 1 2.892 0.000 A 26 ARG HGy H 1 1.043 0.009 A 26 ARG HGx H 1 -0.112 0.041 A 26 ARG CA C 13 55.119 0.021 A 26 ARG CB C 13 26.620 0.033 A 26 ARG CD C 13 42.475 0.000 A 26 ARG CG C 13 26.349 0.455 A 26 ARG N N 15 122.306 0.330 A 27 LYS H H 1 8.051 0.072 A 27 LYS HA H 1 4.168 0.027 A 27 LYS HBx H 1 1.573 0.015 A 27 LYS HEx H 1 2.817 0.024 A 27 LYS HGy H 1 1.492 0.004 A 27 LYS HGx H 1 1.371 0.026 A 27 LYS CB C 13 33.503 0.000 A 27 LYS N N 15 115.887 0.313 A 28 PRO HA H 1 5.145 0.021 A 28 PRO HBy H 1 2.464 0.002 A 28 PRO HBx H 1 2.054 0.021 A 28 PRO HDy H 1 4.025 0.000 A 28 PRO HDx H 1 3.668 0.010 A 28 PRO HGx H 1 2.046 0.000 A 28 PRO CA C 13 61.507 0.037 A 28 PRO CB C 13 27.787 0.491 A 28 PRO CD C 13 50.325 0.072 A 29 ILE H H 1 7.517 0.027 A 29 ILE HA H 1 4.443 0.035 A 29 ILE HB H 1 2.394 0.016 A 29 ILE HD1% H 1 0.690 0.000 A 29 ILE HG1y H 1 1.015 0.036 A 29 ILE HG1x H 1 0.612 0.015 A 29 ILE HG2% H 1 0.404 0.000 A 29 ILE CA C 13 60.723 0.048 A 29 ILE CB C 13 38.563 0.011 A 29 ILE CG1 C 13 24.608 0.332 A 29 ILE CG2 C 13 17.148 0.012 A 29 ILE N N 15 116.657 0.241 A 30 HIS H H 1 8.249 0.020 A 30 HIS HA H 1 5.152 0.022 A 30 HIS HBy H 1 3.378 0.025 A 30 HIS HBx H 1 2.748 0.021 A 30 HIS HD2 H 1 6.389 0.003 A 30 HIS CA C 13 55.902 0.029 A 30 HIS CB C 13 30.925 0.043 A 30 HIS N N 15 118.274 0.517 A 31 VAL H H 1 8.592 0.017 A 31 VAL HA H 1 5.212 0.033 A 31 VAL HB H 1 2.541 0.019 A 31 VAL HGx% H 1 0.823 0.022 A 31 VAL HGy% H 1 0.701 0.001 A 31 VAL CA C 13 57.692 0.063 A 31 VAL CB C 13 34.153 0.015 A 31 VAL CGy C 13 21.549 0.000 A 31 VAL N N 15 107.262 0.083 A 32 VAL H H 1 8.830 0.038 A 32 VAL HA H 1 4.246 0.033 A 32 VAL HB H 1 2.115 0.026 A 32 VAL HGx% H 1 1.066 0.022 A 32 VAL HGy% H 1 0.909 0.021 A 32 VAL CA C 13 62.504 0.035 A 32 VAL CG1 C 13 24.399 0.013 A 32 VAL N N 15 119.900 0.063 A 33 ALA H H 1 9.248 0.021 A 33 ALA HA H 1 4.522 0.026 A 33 ALA HB% H 1 1.227 0.038 A 33 ALA CA C 13 49.594 0.070 A 33 ALA CB C 13 23.635 0.000 A 33 ALA N N 15 128.967 0.124 A 34 ALA H H 1 8.117 0.021 A 34 ALA HA H 1 5.207 0.027 A 34 ALA HB% H 1 1.120 0.024 A 34 ALA CA C 13 49.704 0.078 A 34 ALA N N 15 121.236 0.132 A 35 ALA H H 1 9.080 0.010 A 35 ALA HA H 1 4.633 0.029 A 35 ALA HB% H 1 1.578 0.022 A 35 ALA CA C 13 50.168 0.063 A 35 ALA CB C 13 20.121 0.032 A 35 ALA N N 15 125.943 0.121 A 36 LYS H H 1 8.967 0.010 A 36 LYS HA H 1 4.272 0.185 A 36 LYS HBy H 1 1.919 0.023 A 36 LYS HBx H 1 1.582 0.017 A 36 LYS HD2 H 1 1.771 0.000 A 36 LYS CA C 13 58.723 0.067 A 36 LYS N N 15 121.159 0.074 A 37 ASP H H 1 7.735 0.004 A 37 ASP HA H 1 4.526 0.020 A 37 ASP HBy H 1 3.104 0.018 A 37 ASP HBx H 1 2.587 0.027 A 37 ASP CA C 13 52.534 0.034 A 37 ASP CB C 13 39.654 0.157 A 37 ASP N N 15 115.815 0.074 A 38 GLY H H 1 8.103 0.008 A 38 GLY HAy H 1 4.190 0.033 A 38 GLY HAx H 1 3.391 0.020 A 38 GLY CA C 13 45.025 0.119 A 38 GLY N N 15 107.649 0.076 A 39 THR H H 1 7.670 0.013 A 39 THR HA H 1 4.265 0.021 A 39 THR HB H 1 4.134 0.024 A 39 THR HG2% H 1 1.123 0.000 A 39 THR CA C 13 60.883 0.008 A 39 THR CB C 13 70.144 0.000 A 39 THR N N 15 110.428 0.171 A 40 LEU H H 1 8.207 0.018 A 40 LEU HA H 1 5.312 0.030 A 40 LEU HBy H 1 1.676 0.026 A 40 LEU HBx H 1 1.111 0.021 A 40 LEU HDx% H 1 0.686 0.067 A 40 LEU HDy% H 1 0.538 0.018 A 40 LEU HG H 1 1.608 0.011 A 40 LEU CA C 13 53.146 0.010 A 40 LEU CB C 13 41.870 0.032 A 40 LEU CDx C 13 21.564 0.018 A 40 LEU CDy C 13 21.938 0.000 A 40 LEU N N 15 120.829 0.208 A 41 HIS H H 1 9.214 0.014 A 41 HIS HA H 1 4.622 0.022 A 41 HIS HBy H 1 3.138 0.015 A 41 HIS HBx H 1 2.317 0.025 A 41 HIS HD2 H 1 6.708 0.023 A 41 HIS CA C 13 54.675 0.045 A 41 HIS CB C 13 35.374 0.017 A 41 HIS N N 15 120.175 0.174 A 42 ALA H H 1 9.083 0.019 A 42 ALA HA H 1 5.530 0.027 A 42 ALA HB% H 1 1.261 0.023 A 42 ALA CA C 13 50.934 0.044 A 42 ALA CB C 13 18.920 0.077 A 42 ALA N N 15 125.084 0.157 A 43 ARG H H 1 8.992 0.025 A 43 ARG HA H 1 5.177 0.025 A 43 ARG HBy H 1 1.926 0.040 A 43 ARG HBx H 1 1.553 0.037 A 43 ARG HDy H 1 3.772 0.004 A 43 ARG HDx H 1 3.260 0.064 A 43 ARG HGx H 1 1.53 0.016 A 43 ARG CA C 13 50.736 0.090 A 43 ARG CB C 13 35.105 0.373 A 43 ARG N N 15 124.440 0.194 A 44 PRO HA H 1 4.506 0.020 A 44 PRO HBy H 1 1.992 0.036 A 44 PRO HBx H 1 1.538 0.014 A 44 PRO HDy H 1 3.783 0.006 A 44 PRO HDx H 1 3.663 0.009 A 44 PRO CA C 13 61.661 0.071 A 44 PRO CB C 13 32.437 0.000 A 45 VAL H H 1 7.756 0.027 A 45 VAL HA H 1 4.195 0.033 A 45 VAL HB H 1 1.762 0.027 A 45 VAL HGx% H 1 0.775 0.024 A 45 VAL HGy% H 1 0.374 0.034 A 45 VAL CA C 13 61.770 0.034 A 45 VAL CB C 13 32.099 0.033 A 45 VAL CGy C 13 24.144 0.000 A 45 VAL CGx C 13 22.621 0.000 A 45 VAL N N 15 119.113 0.150 A 46 VAL H H 1 8.184 0.014 A 46 VAL HA H 1 4.117 0.027 A 46 VAL HB H 1 2.164 0.008 A 46 VAL HGx% H 1 0.720 0.018 A 46 VAL HGy% H 1 0.450 0.031 A 46 VAL CA C 13 59.689 0.025 A 46 VAL CB C 13 33.207 0.061 A 46 VAL N N 15 114.811 0.276 A 47 SER H H 1 6.458 0.024 A 47 SER HA H 1 3.992 0.061 A 47 SER HBx H 1 3.228 0.029 A 47 SER CA C 13 56.916 0.024 A 47 SER CB C 13 65.285 0.000 A 47 SER N N 15 113.271 0.072 A 48 TRP H H 1 7.624 0.027 A 48 TRP HA H 1 4.518 0.026 A 48 TRP HBx H 1 3.129 0.048 A 48 TRP HBy H 1 3.129 0.048 A 48 TRP HD1 H 1 6.607 0.018 A 48 TRP HE1 H 1 9.215 0.007 A 48 TRP HE3 H 1 6.967 0.000 A 48 TRP HH2 H 1 6.964 0.019 A 48 TRP HZ2 H 1 6.640 0.022 A 48 TRP HZ3 H 1 7.551 0.000 A 48 TRP CA C 13 58.275 0.160 A 48 TRP CB C 13 32.474 0.000 A 48 TRP N N 15 120.998 0.294 A 48 TRP NE1 N 15 128.542 0.167 A 49 PHE H H 1 8.827 0.065 A 49 PHE HA H 1 5.159 0.038 A 49 PHE HBy H 1 3.036 0.046 A 49 PHE HBx H 1 2.618 0.113 A 49 PHE HD1 H 1 6.954 0.033 A 49 PHE HD2 H 1 6.954 0.033 A 49 PHE CA C 13 55.741 0.056 A 49 PHE CB C 13 40.992 0.179 A 49 PHE N N 15 120.098 0.286 A 50 ASP H H 1 9.052 0.015 A 50 ASP HA H 1 4.829 0.048 A 50 ASP HBy H 1 3.085 0.020 A 50 ASP HBx H 1 2.540 0.025 A 50 ASP CA C 13 53.464 0.099 A 50 ASP CB C 13 40.713 0.000 A 50 ASP N N 15 127.259 0.231 A 51 GLN H H 1 8.141 0.156 A 51 GLN HA H 1 4.902 0.177 A 51 GLN HBy H 1 1.625 0.036 A 51 GLN HBx H 1 1.543 0.015 A 51 GLN HE2x H 1 6.803 0.582 A 51 GLN HE2y H 1 6.919 0.935 A 51 GLN HGy H 1 2.186 0.029 A 51 GLN HGx H 1 1.984 0.033 A 51 GLN CA C 13 55.613 0.000 A 51 GLN N N 15 123.758 0.357 A 51 GLN NE2 N 15 111.628 1.567 A 52 GLY H H 1 8.120 0.132 A 52 GLY HAy H 1 4.133 0.020 A 52 GLY HAx H 1 3.848 0.024 A 52 GLY CA C 13 44.063 0.019 A 52 GLY N N 15 108.682 0.288 A 53 THR H H 1 8.579 0.017 A 53 THR HA H 1 4.734 0.014 A 53 THR HB H 1 3.856 0.026 A 53 THR HG2% H 1 0.929 0.025 A 53 THR CA C 13 62.734 0.053 A 53 THR CB C 13 67.881 0.010 A 53 THR N N 15 118.925 0.224 A 54 ARG H H 1 8.815 0.033 A 54 ARG HA H 1 4.677 0.032 A 54 ARG HBy H 1 2.023 0.020 A 54 ARG HBx H 1 1.308 0.032 A 54 ARG HDy H 1 3.259 0.000 A 54 ARG HDx H 1 3.037 0.000 A 54 ARG HGx H 1 1.512 0.021 A 54 ARG CA C 13 53.580 0.093 A 54 ARG CB C 13 35.619 0.049 A 54 ARG N N 15 125.981 0.064 A 55 ASP H H 1 7.981 0.013 A 55 ASP HA H 1 4.973 0.025 A 55 ASP HBy H 1 2.485 0.044 A 55 ASP HBx H 1 2.403 0.042 A 55 ASP CA C 13 54.236 0.039 A 55 ASP CB C 13 40.704 0.040 A 55 ASP N N 15 119.621 0.081 A 56 VAL H H 1 9.459 0.015 A 56 VAL HA H 1 4.804 0.030 A 56 VAL HB H 1 2.158 0.025 A 56 VAL HGx% H 1 0.786 0.012 A 56 VAL HGy% H 1 0.730 0.022 A 56 VAL CA C 13 58.672 0.080 A 56 VAL CB C 13 34.813 0.000 A 56 VAL CGx C 13 18.716 0.053 A 56 VAL N N 15 114.565 0.163 A 57 ILE H H 1 8.915 0.014 A 57 ILE HA H 1 4.740 0.025 A 57 ILE HB H 1 1.909 0.018 A 57 ILE HD1% H 1 0.785 0.017 A 57 ILE HG1y H 1 1.414 0.054 A 57 ILE HG1x H 1 1.022 0.018 A 57 ILE HG2% H 1 1.004 0.012 A 57 ILE CA C 13 58.799 0.059 A 57 ILE CB C 13 41.197 0.025 A 57 ILE CG1 C 13 24.298 0.000 A 57 ILE CG2 C 13 20.047 0.229 A 57 ILE N N 15 114.855 0.097 A 58 GLY H H 1 6.715 0.023 A 58 GLY HAy H 1 4.389 0.022 A 58 GLY HAx H 1 1.257 0.030 A 58 GLY CA C 13 43.036 0.081 A 58 GLY N N 15 107.378 0.102 A 59 LEU H H 1 8.813 0.036 A 59 LEU HA H 1 4.677 0.024 A 59 LEU HBy H 1 1.918 0.023 A 59 LEU HBx H 1 1.014 0.003 A 59 LEU HD1% H 1 0.896 0.012 A 59 LEU HG H 1 1.605 0.028 A 59 LEU CA C 13 52.282 0.274 A 59 LEU CB C 13 42.668 0.068 A 59 LEU N N 15 124.061 0.197 A 60 ARG H H 1 8.619 0.015 A 60 ARG HA H 1 4.799 0.047 A 60 ARG HBy H 1 1.910 0.014 A 60 ARG HBx H 1 1.227 0.008 A 60 ARG HGy H 1 1.382 0.005 A 60 ARG HGx H 1 1.184 0.003 A 60 ARG N N 15 124.178 0.140 A 61 ILE H H 1 8.906 0.044 A 61 ILE HA H 1 4.492 0.026 A 61 ILE HB H 1 1.946 0.024 A 61 ILE HD1% H 1 0.585 0.009 A 61 ILE HG1y H 1 1.361 0.049 A 61 ILE HG1x H 1 1.220 0.005 A 61 ILE HG2% H 1 0.829 0.017 A 61 ILE CA C 13 58.741 0.031 A 61 ILE CB C 13 37.622 0.588 A 61 ILE N N 15 128.222 0.107 A 62 ALA H H 1 8.500 0.019 A 62 ALA HA H 1 4.108 0.025 A 62 ALA HB% H 1 1.465 0.024 A 62 ALA CA C 13 54.129 0.025 A 62 ALA CB C 13 18.002 0.000 A 62 ALA N N 15 128.005 0.119 A 63 GLY HAy H 1 4.303 0.010 A 63 GLY HAx H 1 3.766 0.005 A 63 GLY CA C 13 44.912 0.019 A 64 GLY H H 1 8.165 0.006 A 64 GLY HAy H 1 4.223 0.018 A 64 GLY HAx H 1 3.790 0.032 A 64 GLY CA C 13 44.751 0.005 A 64 GLY N N 15 107.906 0.119 A 65 ALA H H 1 7.969 0.011 A 65 ALA HA H 1 4.394 0.034 A 65 ALA HB% H 1 1.411 0.026 A 65 ALA CA C 13 51.764 0.000 A 65 ALA CB C 13 19.458 0.049 A 65 ALA N N 15 125.759 0.133 A 66 ILE H H 1 7.975 0.028 A 66 ILE HA H 1 4.705 0.060 A 66 ILE HB H 1 1.463 0.032 A 66 ILE HD1% H 1 0.824 0.000 A 66 ILE HG1y H 1 1.588 0.020 A 66 ILE HG1x H 1 0.364 0.022 A 66 ILE HG2% H 1 -0.056 0.538 A 66 ILE CA C 13 59.670 0.047 A 66 ILE CB C 13 40.415 0.000 A 66 ILE N N 15 118.136 0.179 A 67 LEU H H 1 8.206 0.017 A 67 LEU HA H 1 4.728 0.017 A 67 LEU HBy H 1 1.761 0.027 A 67 LEU HBx H 1 1.200 0.016 A 67 LEU HDx% H 1 0.808 0.000 A 67 LEU HDy% H 1 0.941 0.021 A 67 LEU HG H 1 1.373 0.005 A 67 LEU CA C 13 53.331 0.000 A 67 LEU CB C 13 44.102 0.081 A 67 LEU N N 15 127.715 0.095 A 68 TRP H H 1 9.984 0.054 A 68 TRP HA H 1 5.672 0.027 A 68 TRP HBy H 1 3.272 0.024 A 68 TRP HBx H 1 2.547 0.004 A 68 TRP HD1 H 1 7.220 0.022 A 68 TRP HE1 H 1 10.353 0.007 A 68 TRP HH2 H 1 7.305 0.011 A 68 TRP HZ2 H 1 7.462 0.022 A 68 TRP HZ3 H 1 7.225 0.018 A 68 TRP CA C 13 54.812 0.032 A 68 TRP CB C 13 29.742 0.075 A 68 TRP N N 15 129.332 0.176 A 68 TRP NE1 N 15 131.515 0.082 A 69 ALA H H 1 8.804 0.033 A 69 ALA HA H 1 5.243 0.021 A 69 ALA HB% H 1 1.194 0.025 A 69 ALA CA C 13 49.203 0.095 A 69 ALA CB C 13 22.138 0.000 A 69 ALA N N 15 124.233 0.103 A 70 THR H H 1 8.747 0.066 A 70 THR HA H 1 5.152 0.036 A 70 THR HB H 1 4.807 0.028 A 70 THR HG2% H 1 1.483 0.016 A 70 THR CA C 13 60.495 0.063 A 70 THR CB C 13 67.570 0.015 A 70 THR CG2 C 13 23.730 0.026 A 70 THR N N 15 111.459 0.103 A 71 PRO HA H 1 4.165 0.022 A 71 PRO HBy H 1 2.381 0.023 A 71 PRO HBx H 1 2.120 0.012 A 71 PRO HDy H 1 4.026 0.001 A 71 PRO HDx H 1 3.838 0.032 A 71 PRO HGx H 1 2.253 0.004 A 71 PRO CA C 13 64.390 0.064 A 72 ASP H H 1 8.714 0.031 A 72 ASP HA H 1 4.505 0.028 A 72 ASP HBy H 1 2.742 0.059 A 72 ASP HBx H 1 2.610 0.010 A 72 ASP CA C 13 52.827 0.066 A 72 ASP N N 15 112.234 0.140 A 73 HIS H H 1 8.301 0.015 A 73 HIS HA H 1 3.796 0.022 A 73 HIS HBy H 1 3.327 0.019 A 73 HIS HBx H 1 3.089 0.032 A 73 HIS HD2 H 1 7.159 0.026 A 73 HIS HE1 H 1 8.065 0.000 A 73 HIS HE2 H 1 8.563 0.011 A 73 HIS CA C 13 58.310 0.048 A 73 HIS CB C 13 32.385 0.233 A 73 HIS N N 15 125.389 0.343 A 74 LYS H H 1 8.374 0.012 A 74 LYS HA H 1 4.661 0.026 A 74 LYS HBy H 1 1.526 0.023 A 74 LYS HBx H 1 1.400 0.020 A 74 LYS HDx H 1 1.175 0.024 A 74 LYS CA C 13 56.845 0.039 A 74 LYS N N 15 127.412 0.173 A 75 VAL H H 1 9.430 0.013 A 75 VAL HA H 1 4.754 0.047 A 75 VAL HB H 1 1.968 0.029 A 75 VAL HGx% H 1 0.967 0.023 A 75 VAL HGy% H 1 0.184 0.000 A 75 VAL CA C 13 60.739 0.030 A 75 VAL CB C 13 35.276 0.000 A 75 VAL CGx C 13 20.928 0.000 A 75 VAL N N 15 125.726 0.067 A 76 LEU H H 1 8.312 0.062 A 76 LEU HA H 1 3.514 0.042 A 76 LEU HBy H 1 1.441 0.036 A 76 LEU HBx H 1 -0.250 0.016 A 76 LEU HDx% H 1 -0.278 0.025 A 76 LEU HDy% H 1 0.412 0.017 A 76 LEU HG H 1 1.031 0.046 A 76 LEU CA C 13 55.222 0.027 A 76 LEU CB C 13 39.052 0.028 A 76 LEU CDx C 13 19.386 0.068 A 76 LEU CDy C 13 24.357 0.033 A 76 LEU CG C 13 25.627 0.149 A 76 LEU N N 15 129.759 0.080 A 77 THR H H 1 7.367 0.021 A 77 THR HA H 1 5.295 0.029 A 77 THR HB H 1 4.943 0.409 A 77 THR HG2% H 1 1.296 0.018 A 77 THR CA C 13 59.543 0.115 A 77 THR N N 15 116.138 0.108 A 78 GLU H H 1 8.220 0.049 A 78 GLU HA H 1 3.558 0.034 A 78 GLU HBy H 1 1.315 0.015 A 78 GLU HBx H 1 1.002 0.007 A 78 GLU HGy H 1 1.358 0.062 A 78 GLU HGx H 1 0.902 0.061 A 78 GLU CA C 13 57.551 0.004 A 78 GLU CB C 13 28.385 0.026 A 78 GLU N N 15 119.986 0.117 A 79 TYR H H 1 7.705 0.011 A 79 TYR HA H 1 4.749 0.041 A 79 TYR HBy H 1 3.400 0.022 A 79 TYR HBx H 1 2.339 0.024 A 79 TYR HD1 H 1 7.032 0.019 A 79 TYR HD2 H 1 7.032 0.019 A 79 TYR CA C 13 55.553 0.032 A 79 TYR CB C 13 37.935 0.015 A 79 TYR N N 15 117.251 0.100 A 80 GLY H H 1 7.315 0.006 A 80 GLY HAy H 1 4.641 0.026 A 80 GLY HAx H 1 3.535 0.023 A 80 GLY CA C 13 42.757 0.010 A 80 GLY N N 15 106.884 0.112 A 81 TRP H H 1 9.028 0.051 A 81 TRP HA H 1 4.884 0.059 A 81 TRP HBy H 1 3.185 0.016 A 81 TRP HBx H 1 2.916 0.019 A 81 TRP HD1 H 1 7.425 0.018 A 81 TRP HE1 H 1 10.433 0.007 A 81 TRP HE3 H 1 7.217 0.024 A 81 TRP HH2 H 1 6.896 0.019 A 81 TRP HZ2 H 1 7.577 0.010 A 81 TRP HZ3 H 1 7.139 0.062 A 81 TRP CA C 13 57.790 0.091 A 81 TRP CB C 13 29.255 0.032 A 81 TRP N N 15 125.593 0.134 A 81 TRP NE1 N 15 130.253 0.131 A 82 ARG H H 1 9.420 0.020 A 82 ARG HA H 1 4.773 0.039 A 82 ARG HBy H 1 1.809 0.019 A 82 ARG HBx H 1 1.588 0.022 A 82 ARG CA C 13 53.895 0.143 A 82 ARG N N 15 124.625 0.230 A 83 ALA H H 1 8.771 0.005 A 83 ALA HA H 1 4.293 0.042 A 83 ALA HB% H 1 1.475 0.019 A 83 ALA CA C 13 51.686 0.000 A 83 ALA N N 15 125.891 0.120 A 84 ALA H H 1 9.297 0.199 A 84 ALA HA H 1 3.930 0.019 A 84 ALA HB% H 1 1.490 0.018 A 84 ALA CB C 13 17.269 0.074 A 84 ALA N N 15 125.790 0.140 A 85 GLY H H 1 9.743 0.026 A 85 GLY HA2 H 1 3.910 0.012 A 85 GLY HA3 H 1 3.910 0.012 A 85 GLY N N 15 102.306 0.165 A 86 GLU H H 1 8.123 0.012 A 86 GLU HA H 1 4.414 0.023 A 86 GLU HB2 H 1 2.177 0.029 A 86 GLU HB3 H 1 2.177 0.029 A 86 GLU HG2 H 1 2.359 0.008 A 86 GLU HG3 H 1 2.359 0.008 A 86 GLU CA C 13 55.233 0.000 A 86 GLU CB C 13 30.231 0.000 A 86 GLU N N 15 117.564 0.105 A 87 LEU H H 1 7.174 0.014 A 87 LEU HA H 1 4.417 0.026 A 87 LEU HBy H 1 1.914 0.025 A 87 LEU HBx H 1 1.262 0.023 A 87 LEU HDx% H 1 0.775 0.021 A 87 LEU HG H 1 0.780 0.024 A 87 LEU CA C 13 54.274 0.058 A 87 LEU CB C 13 41.471 0.045 A 87 LEU CDx C 13 22.702 0.000 A 87 LEU CG C 13 24.276 0.000 A 87 LEU N N 15 119.746 0.133 A 88 ARG H H 1 9.100 0.014 A 88 ARG HA H 1 4.627 0.026 A 88 ARG HBy H 1 1.801 0.073 A 88 ARG HBx H 1 1.612 0.025 A 88 ARG HDy H 1 3.251 0.044 A 88 ARG HDx H 1 3.148 0.000 A 88 ARG CA C 13 52.594 0.018 A 88 ARG N N 15 120.899 0.113 A 89 LYS H H 1 8.400 0.009 A 89 LYS HA H 1 3.669 0.024 A 89 LYS HBx H 1 1.895 0.648 A 89 LYS HBy H 1 2.158 0.000 A 89 LYS HEx H 1 3.080 0.000 A 89 LYS HG2 H 1 1.418 0.031 A 89 LYS HG3 H 1 1.251 0.000 A 89 LYS CA C 13 57.770 0.076 A 89 LYS N N 15 119.795 0.094 A 90 GLY H H 1 8.864 0.017 A 90 GLY HAy H 1 4.567 0.018 A 90 GLY HAx H 1 3.424 0.024 A 90 GLY CA C 13 44.499 0.023 A 90 GLY N N 15 115.070 0.070 A 91 ASP H H 1 8.165 0.013 A 91 ASP HA H 1 4.716 0.019 A 91 ASP HBy H 1 2.998 0.013 A 91 ASP HBx H 1 2.554 0.023 A 91 ASP CA C 13 55.866 0.000 A 91 ASP N N 15 121.652 0.090 A 92 ARG H H 1 8.740 0.021 A 92 ARG HA H 1 5.241 0.023 A 92 ARG HBy H 1 1.693 0.029 A 92 ARG HBx H 1 1.358 0.014 A 92 ARG HDy H 1 3.140 0.000 A 92 ARG HDx H 1 2.984 0.003 A 92 ARG HGy H 1 1.746 0.021 A 92 ARG HGx H 1 1.292 0.014 A 92 ARG HH2x H 1 6.314 0.000 A 92 ARG CA C 13 54.976 0.057 A 92 ARG CB C 13 31.655 0.021 A 92 ARG CG C 13 27.374 0.032 A 92 ARG N N 15 117.826 0.124 A 93 VAL H H 1 8.831 0.012 A 93 VAL HA H 1 4.839 0.029 A 93 VAL HB H 1 2.130 0.067 A 93 VAL HGx% H 1 0.777 0.020 A 93 VAL HGy% H 1 0.416 0.025 A 93 VAL CA C 13 58.222 0.141 A 93 VAL N N 15 115.034 0.102 A 94 ALA H H 1 8.556 0.025 A 94 ALA HA H 1 4.271 0.026 A 94 ALA HB% H 1 0.935 0.034 A 94 ALA CA C 13 50.975 0.235 A 94 ALA CB C 13 18.748 0.009 A 94 ALA N N 15 126.192 0.109 A 95 VAL H H 1 8.848 0.018 A 95 VAL HA H 1 5.317 0.034 A 95 VAL HB H 1 2.020 0.016 A 95 VAL HGx% H 1 0.782 0.016 A 95 VAL HGy% H 1 0.455 0.027 A 95 VAL CA C 13 57.154 0.027 A 95 VAL CB C 13 35.186 0.026 A 95 VAL N N 15 115.179 0.132 A 96 ARG H H 1 8.061 0.034 A 96 ARG HA H 1 4.230 0.035 A 96 ARG HBy H 1 1.547 0.025 A 96 ARG HBx H 1 1.042 0.044 A 96 ARG HDy H 1 3.103 0.006 A 96 ARG HDx H 1 2.908 0.004 A 96 ARG HGx H 1 1.010 0.003 A 96 ARG CA C 13 53.613 0.428 A 96 ARG CB C 13 31.697 0.318 A 96 ARG N N 15 119.288 0.111 A 97 ASP H H 1 8.863 0.011 A 97 ASP HA H 1 4.415 0.026 A 97 ASP HBy H 1 2.805 0.150 A 97 ASP HBx H 1 2.254 0.022 A 97 ASP CA C 13 53.887 0.115 A 97 ASP CB C 13 42.723 0.023 A 97 ASP N N 15 131.180 0.077 A 98 VAL H H 1 8.404 0.006 A 98 VAL HA H 1 3.489 0.023 A 98 VAL HB H 1 1.965 0.030 A 98 VAL HGx% H 1 0.837 0.018 A 98 VAL CA C 13 64.431 0.036 A 98 VAL CB C 13 31.047 0.089 A 98 VAL N N 15 126.152 0.077 A 99 GLU H H 1 8.161 0.004 A 99 GLU HA H 1 4.127 0.021 A 99 GLU HBy H 1 2.127 0.035 A 99 GLU HBx H 1 2.072 0.031 A 99 GLU HGx H 1 2.264 0.002 A 99 GLU HGy H 1 2.264 0.002 A 99 GLU CA C 13 58.178 0.056 A 99 GLU CB C 13 29.591 0.073 A 99 GLU CG C 13 36.070 0.000 A 99 GLU N N 15 118.883 0.091 A 100 THR H H 1 7.981 0.008 A 100 THR HA H 1 4.316 0.022 A 100 THR HB H 1 4.213 0.003 A 100 THR HG2% H 1 1.139 0.025 A 100 THR CA C 13 61.407 0.025 A 100 THR CB C 13 70.856 0.035 A 100 THR N N 15 106.301 0.088 A 101 GLY H H 1 8.157 0.011 A 101 GLY HAy H 1 4.027 0.026 A 101 GLY HAx H 1 3.456 0.022 A 101 GLY CA C 13 45.284 0.054 A 101 GLY N N 15 111.204 0.078 A 102 GLU H H 1 7.489 0.006 A 102 GLU HA H 1 4.301 0.025 A 102 GLU HBx H 1 1.740 0.023 A 102 GLU HBy H 1 1.947 0.038 A 102 GLU HGx H 1 2.104 0.045 A 102 GLU HGy H 1 2.264 0.000 A 102 GLU CA C 13 55.160 0.201 A 102 GLU CB C 13 31.769 0.000 A 102 GLU CG C 13 36.012 0.000 A 102 GLU N N 15 118.458 0.077 A 103 LEU H H 1 8.353 0.009 A 103 LEU HA H 1 4.716 0.021 A 103 LEU HBy H 1 1.441 0.027 A 103 LEU HBx H 1 1.330 0.027 A 103 LEU HDx% H 1 0.643 0.000 A 103 LEU HDy% H 1 0.487 0.029 A 103 LEU HG H 1 0.469 0.009 A 103 LEU CA C 13 54.930 0.000 A 103 LEU CB C 13 42.346 0.015 A 103 LEU N N 15 121.701 0.084 A 104 ARG H H 1 9.041 0.010 A 104 ARG HA H 1 4.403 0.025 A 104 ARG HBy H 1 1.829 0.023 A 104 ARG HBx H 1 1.517 0.029 A 104 ARG HDy H 1 3.259 0.002 A 104 ARG HDx H 1 3.094 0.010 A 104 ARG HGx H 1 1.339 0.008 A 104 ARG CA C 13 53.201 0.052 A 104 ARG CB C 13 32.989 0.021 A 104 ARG N N 15 127.157 0.088 A 105 TYR H H 1 8.303 0.008 A 105 TYR HA H 1 5.490 0.020 A 105 TYR HBy H 1 2.620 0.026 A 105 TYR HBx H 1 2.534 0.040 A 105 TYR HD1 H 1 6.680 0.025 A 105 TYR HD2 H 1 6.680 0.025 A 105 TYR HE1 H 1 6.317 0.019 A 105 TYR HE2 H 1 6.317 0.019 A 105 TYR CA C 13 56.831 0.055 A 105 TYR CB C 13 40.116 0.042 A 105 TYR N N 15 116.202 0.090 A 106 SER H H 1 9.254 0.026 A 106 SER HA H 1 4.807 0.314 A 106 SER HBy H 1 3.681 0.020 A 106 SER HBx H 1 3.490 0.028 A 106 SER CA C 13 55.888 0.112 A 106 SER CB C 13 66.301 0.026 A 106 SER N N 15 118.250 0.096 A 107 VAL H H 1 8.279 0.011 A 107 VAL HA H 1 4.423 0.029 A 107 VAL HB H 1 1.866 0.024 A 107 VAL HGx% H 1 0.915 0.004 A 107 VAL HGy% H 1 0.833 0.020 A 107 VAL CA C 13 61.369 0.042 A 107 VAL CB C 13 33.633 0.156 A 107 VAL N N 15 122.160 0.138 A 108 ILE H H 1 8.694 0.023 A 108 ILE HA H 1 4.100 0.027 A 108 ILE HB H 1 2.013 0.028 A 108 ILE HD1% H 1 0.630 0.023 A 108 ILE HG2% H 1 0.835 0.012 A 108 ILE CA C 13 61.321 0.026 A 108 ILE CB C 13 37.408 0.034 A 108 ILE N N 15 123.427 0.087 A 109 ARG H H 1 9.431 0.021 A 109 ARG HA H 1 4.254 0.025 A 109 ARG HBy H 1 1.563 0.172 A 109 ARG HBx H 1 1.430 0.022 A 109 ARG HDx H 1 3.131 0.026 A 109 ARG HGx H 1 0.600 0.001 A 109 ARG HGy H 1 0.796 0.012 A 109 ARG CA C 13 55.904 0.047 A 109 ARG N N 15 130.207 0.066 A 110 GLU H H 1 7.574 0.014 A 110 GLU HA H 1 4.274 0.020 A 110 GLU HBy H 1 1.974 0.026 A 110 GLU HBx H 1 1.766 0.030 A 110 GLU HG2 H 1 2.200 0.032 A 110 GLU HG3 H 1 2.200 0.032 A 110 GLU CA C 13 55.889 0.063 A 110 GLU CB C 13 33.186 0.169 A 110 GLU N N 15 116.804 0.102 A 111 VAL H H 1 8.703 0.028 A 111 VAL HA H 1 4.709 0.028 A 111 VAL HB H 1 1.906 0.029 A 111 VAL HGx% H 1 0.892 0.039 A 111 VAL HGy% H 1 0.775 0.026 A 111 VAL CA C 13 60.903 0.017 A 111 VAL CB C 13 31.927 0.043 A 111 VAL N N 15 125.709 0.079 A 112 LEU H H 1 9.829 0.033 A 112 LEU HA H 1 4.741 0.026 A 112 LEU HBx H 1 1.065 0.068 A 112 LEU HBy H 1 1.807 0.016 A 112 LEU HDx% H 1 0.833 0.013 A 112 LEU HDy% H 1 0.667 0.024 A 112 LEU HG H 1 1.484 0.027 A 112 LEU CA C 13 52.655 0.125 A 112 LEU CB C 13 40.998 0.101 A 112 LEU CDx C 13 23.675 0.000 A 112 LEU CDy C 13 25.237 0.000 A 112 LEU CG C 13 27.976 0.656 A 112 LEU N N 15 132.638 0.086 A 113 PRO HA H 1 4.532 0.015 A 113 PRO HBy H 1 2.459 0.015 A 113 PRO HBx H 1 2.107 0.014 A 113 PRO HDy H 1 3.943 0.029 A 113 PRO HDx H 1 3.745 0.007 A 113 PRO HGx H 1 2.273 0.000 A 113 PRO CA C 13 61.916 0.133 A 113 PRO CB C 13 32.608 0.069 A 113 PRO CG C 13 27.510 0.000 A 114 THR H H 1 7.689 0.014 A 114 THR HA H 1 4.973 0.028 A 114 THR HB H 1 3.918 0.044 A 114 THR HG2% H 1 1.161 0.020 A 114 THR CA C 13 61.865 0.055 A 114 THR CB C 13 69.345 0.000 A 114 THR N N 15 112.542 0.134 A 115 ARG H H 1 9.112 0.007 A 115 ARG HA H 1 4.694 0.025 A 115 ARG HBy H 1 1.624 0.037 A 115 ARG HBx H 1 1.260 0.010 A 115 ARG HDy H 1 2.603 0.017 A 115 ARG HDx H 1 2.302 0.020 A 115 ARG HE H 1 2.876 0.020 A 115 ARG HGy H 1 1.207 0.041 A 115 ARG HGx H 1 0.784 0.027 A 115 ARG CA C 13 54.302 0.000 A 115 ARG CB C 13 32.684 0.000 A 115 ARG CD C 13 42.797 0.012 A 115 ARG CG C 13 25.599 0.470 A 115 ARG N N 15 123.213 0.066 A 115 ARG NE N 15 124.495 0.657 A 116 ARG H H 1 8.351 0.017 A 116 ARG HA H 1 4.879 0.050 A 116 ARG HBy H 1 1.595 0.032 A 116 ARG HBx H 1 1.411 0.036 A 116 ARG HDy H 1 3.155 0.024 A 116 ARG HDx H 1 3.031 0.027 A 116 ARG HGx H 1 1.575 0.023 A 116 ARG CA C 13 54.554 0.160 A 116 ARG CB C 13 30.285 0.026 A 116 ARG CD C 13 42.090 0.453 A 116 ARG CG C 13 26.246 0.000 A 116 ARG N N 15 119.004 0.102 A 117 ALA H H 1 8.686 0.050 A 117 ALA HA H 1 4.599 0.034 A 117 ALA HB% H 1 1.230 0.021 A 117 ALA CA C 13 50.434 0.029 A 117 ALA CB C 13 23.139 0.033 A 117 ALA N N 15 124.834 0.145 A 118 ARG H H 1 8.697 0.031 A 118 ARG HA H 1 3.925 0.042 A 118 ARG HBy H 1 1.929 0.004 A 118 ARG HBx H 1 1.830 0.042 A 118 ARG HDx H 1 3.194 0.042 A 118 ARG HGy H 1 1.607 0.010 A 118 ARG HGx H 1 1.187 0.000 A 118 ARG CA C 13 57.559 0.042 A 118 ARG CB C 13 30.409 0.000 A 118 ARG N N 15 120.885 0.070 A 119 THR H H 1 7.683 0.067 A 119 THR HA H 1 5.309 0.026 A 119 THR HB H 1 3.692 0.017 A 119 THR HG2% H 1 0.861 0.020 A 119 THR CA C 13 60.071 0.084 A 119 THR CB C 13 72.737 0.068 A 119 THR N N 15 111.492 0.176 A 120 PHE H H 1 8.884 0.081 A 120 PHE HA H 1 5.311 0.041 A 120 PHE HBy H 1 3.391 0.028 A 120 PHE HBx H 1 2.541 0.040 A 120 PHE HD1 H 1 7.344 0.019 A 120 PHE HD2 H 1 7.344 0.019 A 120 PHE CA C 13 57.898 0.053 A 120 PHE CB C 13 46.203 0.062 A 120 PHE N N 15 113.949 0.373 A 121 ASP H H 1 9.351 0.003 A 121 ASP HA H 1 5.352 0.034 A 121 ASP HBy H 1 3.035 0.017 A 121 ASP HBx H 1 2.460 0.020 A 121 ASP CA C 13 55.227 0.000 A 121 ASP CB C 13 47.673 0.000 A 121 ASP N N 15 118.841 0.053 A 122 LEU H H 1 8.514 0.208 A 122 LEU HA H 1 4.809 0.032 A 122 LEU HBy H 1 1.404 0.034 A 122 LEU HBx H 1 1.303 0.019 A 122 LEU HDx% H 1 1.020 0.027 A 122 LEU HDy% H 1 0.803 0.017 A 122 LEU HG H 1 1.577 0.004 A 122 LEU CB C 13 45.915 0.051 A 122 LEU N N 15 118.637 0.321 A 123 GLU H H 1 7.137 0.088 A 123 GLU HA H 1 4.515 0.026 A 123 GLU HBy H 1 1.604 0.025 A 123 GLU HBx H 1 1.220 0.000 A 123 GLU HGy H 1 2.134 0.020 A 123 GLU HGx H 1 1.812 0.000 A 123 GLU CA C 13 54.697 0.047 A 123 GLU N N 15 118.694 0.249 A 124 VAL H H 1 8.762 0.038 A 124 VAL HA H 1 4.065 0.031 A 124 VAL HB H 1 1.557 0.074 A 124 VAL HGx% H 1 0.951 0.005 A 124 VAL HGy% H 1 0.830 0.016 A 124 VAL CA C 13 61.193 0.008 A 124 VAL CB C 13 33.607 0.269 A 124 VAL CGx C 13 20.478 0.168 A 124 VAL CGy C 13 21.726 0.919 A 124 VAL N N 15 129.259 0.114 A 125 GLU H H 1 8.037 0.012 A 125 GLU HA H 1 3.672 0.032 A 125 GLU HBx H 1 2.119 0.009 A 125 GLU CA C 13 58.494 0.000 A 125 GLU CB C 13 30.552 0.000 A 125 GLU N N 15 128.432 0.093 A 126 GLU H H 1 8.505 0.010 A 126 GLU HA H 1 3.570 0.035 A 126 GLU HBy H 1 2.638 0.015 A 126 GLU HBx H 1 1.957 0.025 A 126 GLU HGy H 1 2.281 0.008 A 126 GLU HGx H 1 1.840 0.004 A 126 GLU CA C 13 61.229 0.062 A 126 GLU CB C 13 29.621 0.278 A 126 GLU CG C 13 35.092 0.033 A 126 GLU N N 15 120.993 0.097 A 127 LEU H H 1 9.417 0.013 A 127 LEU HA H 1 4.205 0.015 A 127 LEU HBy H 1 1.514 0.016 A 127 LEU HBx H 1 1.292 0.003 A 127 LEU HDx% H 1 0.772 0.019 A 127 LEU HDy% H 1 0.614 0.000 A 127 LEU HG H 1 1.545 0.016 A 127 LEU CA C 13 55.681 0.041 A 127 LEU N N 15 120.945 0.136 A 128 HIS HA H 1 4.584 0.035 A 128 HIS HB2 H 1 3.183 0.019 A 128 HIS HD2 H 1 7.211 0.000 A 128 HIS CA C 13 54.566 0.000 A 128 HIS CB C 13 26.062 0.000 A 129 THR H H 1 6.925 0.026 A 129 THR HA H 1 4.899 0.037 A 129 THR HB H 1 4.481 0.018 A 129 THR HG2% H 1 1.436 0.021 A 129 THR CA C 13 58.380 0.030 A 129 THR CB C 13 72.980 0.040 A 129 THR N N 15 105.639 0.127 A 130 LEU H H 1 9.060 0.058 A 130 LEU HA H 1 5.537 0.031 A 130 LEU HB2 H 1 1.983 0.014 A 130 LEU HB3 H 1 1.504 0.019 A 130 LEU HDx% H 1 1.548 0.000 A 130 LEU HG H 1 0.815 0.017 A 130 LEU CA C 13 54.683 0.052 A 130 LEU CB C 13 44.277 0.170 A 130 LEU CDx C 13 25.897 0.000 A 130 LEU CG C 13 27.322 0.069 A 130 LEU N N 15 111.598 0.067 A 131 VAL H H 1 7.506 0.040 A 131 VAL HA H 1 4.830 0.036 A 131 VAL HB H 1 2.273 0.025 A 131 VAL HGx% H 1 0.761 0.026 A 131 VAL HGy% H 1 0.643 0.027 A 131 VAL CA C 13 61.285 0.072 A 131 VAL CB C 13 30.272 0.000 A 131 VAL CGx C 13 22.094 0.126 A 131 VAL N N 15 119.670 0.149 A 132 ALA H H 1 9.714 0.017 A 132 ALA HA H 1 4.931 0.044 A 132 ALA HB% H 1 1.160 0.021 A 132 ALA CA C 13 49.999 0.038 A 132 ALA CB C 13 21.422 0.000 A 132 ALA N N 15 134.824 0.173 A 133 GLU H H 1 9.084 0.027 A 133 GLU HA H 1 3.826 0.023 A 133 GLU HBy H 1 2.558 0.024 A 133 GLU HBx H 1 2.135 0.018 A 133 GLU HGy H 1 2.944 0.020 A 133 GLU HGx H 1 2.515 0.022 A 133 GLU CA C 13 57.065 0.015 A 133 GLU CB C 13 26.406 0.010 A 133 GLU CG C 13 35.851 0.011 A 133 GLU N N 15 118.979 0.344 A 134 GLY H H 1 7.230 0.031 A 134 GLY HAy H 1 4.205 0.021 A 134 GLY HAx H 1 3.341 0.024 A 134 GLY CA C 13 45.352 0.087 A 134 GLY N N 15 100.017 0.077 A 135 VAL H H 1 8.061 0.021 A 135 VAL HA H 1 4.560 0.021 A 135 VAL HB H 1 2.243 0.049 A 135 VAL HG1% H 1 0.916 0.054 A 135 VAL HG2% H 1 0.854 0.028 A 135 VAL CA C 13 60.885 0.066 A 135 VAL CB C 13 32.542 0.455 A 135 VAL CGy C 13 21.960 0.000 A 135 VAL N N 15 122.381 0.084 A 136 VAL H H 1 8.297 0.017 A 136 VAL HA H 1 4.254 0.026 A 136 VAL HB H 1 1.989 0.029 A 136 VAL HG1% H 1 0.832 0.012 A 136 VAL HG2% H 1 0.624 0.027 A 136 VAL CA C 13 63.608 0.024 A 136 VAL CB C 13 30.519 0.861 A 136 VAL CGy C 13 19.834 0.815 A 136 VAL N N 15 126.302 0.097 A 137 VAL H H 1 9.373 0.021 A 137 VAL HA H 1 5.743 0.028 A 137 VAL HB H 1 2.787 0.019 A 137 VAL HGx% H 1 1.170 0.015 A 137 VAL HGy% H 1 1.109 0.006 A 137 VAL CA C 13 58.252 0.059 A 137 VAL CB C 13 36.378 0.255 A 137 VAL CG2 C 13 22.834 0.033 A 137 VAL N N 15 118.757 0.247 A 138 HIS H H 1 8.531 0.037 A 138 HIS HA H 1 4.434 0.051 A 138 HIS HBy H 1 2.889 0.063 A 138 HIS HBx H 1 2.487 0.021 A 138 HIS HD2 H 1 6.346 0.000 A 138 HIS CA C 13 56.439 0.019 A 138 HIS CB C 13 30.583 0.042 A 138 HIS N N 15 120.902 0.373 A 139 ASN H H 1 7.868 0.051 A 139 ASN HA H 1 4.177 0.034 A 139 ASN HBy H 1 3.278 0.041 A 139 ASN HBx H 1 1.917 0.027 A 139 ASN HD2x H 1 7.359 0.003 A 139 ASN HD2y H 1 8.132 0.016 A 139 ASN CA C 13 55.599 0.000 A 139 ASN CB C 13 38.931 0.091 A 139 ASN N N 15 126.624 0.238 A 139 ASN ND2 N 15 114.203 0.096 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 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 15 THR HA A 15 THR HG2% 1.0 1.8 4.0 2 2 A 15 THR HB A 10 ASP HBx 1.0 1.8 5.0 3 3 A 15 THR HB A 10 ASP HBy 1.0 1.8 6.0 4 4 A 15 THR HB A 13 THR HG2% 1.0 1.8 6.0 5 5 A 16 THR HA A 9 PHE HBy 1.0 1.8 6.0 6 6 A 10 ASP HBx A 16 THR HA 1.0 1.8 6.0 7 7 A 16 THR HA A 9 PHE H 1.0 1.8 4.0 8 8 A 16 THR HA A 17 HIS HBy 1.0 1.8 6.0 9 9 A 16 THR HA A 16 THR HG2% 1.0 1.8 4.0 10 10 A 19 ILE HA A 22 VAL HB 1.0 1.8 3.0 11 11 A 19 ILE HA A 19 ILE HG1x 1.0 1.8 3.0 12 11 A 19 ILE HA A 19 ILE HG1y 1.0 1.8 3.0 13 12 A 19 ILE HA A 8 ILE HG1y 1.0 1.8 6.0 14 13 A 20 GLU HA A 19 ILE HG1x 1.0 1.8 5.0 15 13 A 19 ILE HG1y A 20 GLU HA 1.0 1.8 5.0 16 14 A 22 VAL HB A 20 GLU HA 1.0 1.8 6.0 17 15 A 20 GLU HA A 23 VAL HB 1.0 1.8 4.0 18 16 A 20 GLU HA A 21 ASP H 1.0 1.8 4.0 19 17 A 19 ILE HG1y A 6 THR HB 1.0 1.8 4.0 20 18 A 6 THR HB A 19 ILE HD1% 1.0 1.8 5.0 21 19 A 6 THR HB A 2 LEU HBx 1.0 1.8 5.0 22 19 A 6 THR HB A 2 LEU HBy 1.0 1.8 5.0 23 20 A 11 PRO HA A 9 PHE HE1 1.0 1.8 5.0 24 21 A 11 PRO HA A 32 VAL HGx% 1.0 1.8 6.0 25 22 A 12 VAL HA A 12 VAL HGx% 1.0 1.8 4.0 26 23 A 12 VAL HA A 12 VAL HGy% 1.0 1.8 4.0 27 24 A 15 THR HG2% A 13 THR HB 1.0 1.8 6.0 28 25 A 109 ARG HA A 109 ARG HDx 1.0 1.8 5.0 29 25 A 109 ARG HA A 109 ARG HDy 1.0 1.8 5.0 30 26 A 109 ARG HA A 89 LYS HG3 1.0 1.8 4.0 31 27 A 110 GLU HA A 109 ARG HBy 1.0 1.8 6.0 32 28 A 110 GLU HA A 111 VAL HGx% 1.0 1.8 6.5 33 29 A 112 LEU HA A 113 PRO HDx 1.0 1.8 3.0 34 30 A 112 LEU HA A 113 PRO HDy 1.0 1.8 3.3 35 31 A 112 LEU HA A 110 GLU HG2 1.0 1.8 5.0 36 31 A 112 LEU HA A 110 GLU HG3 1.0 1.8 5.0 37 32 A 112 LEU HA A 112 LEU HG 1.0 1.8 4.0 38 33 A 112 LEU HA A 112 LEU HDx% 1.0 1.8 3.0 39 34 A 113 PRO HDx A 113 PRO HA 1.0 1.8 5.0 40 35 A 113 PRO HDy A 113 PRO HA 1.0 1.8 5.0 41 36 A 113 PRO HA A 112 LEU HBy 1.0 1.8 6.0 42 36 A 113 PRO HA A 112 LEU HBx 1.0 1.8 6.0 43 37 A 114 THR HA A 58 GLY H 1.0 1.8 6.0 44 38 A 114 THR HA A 114 THR HG2% 1.0 1.8 4.0 45 39 A 114 THR HA A 57 ILE HB 1.0 1.8 5.0 46 40 A 116 ARG HA A 56 VAL H 1.0 1.8 6.0 47 41 A 117 ALA HA A 53 THR HG2% 1.0 1.8 5.0 48 42 A 116 ARG HA A 117 ALA HA 1.0 1.8 5.0 49 43 A 53 THR HG2% A 118 ARG HA 1.0 1.8 5.0 50 44 A 118 ARG HA A 118 ARG HGy 1.0 1.8 3.0 51 44 A 118 ARG HA A 118 ARG HGx 1.0 1.8 3.0 52 45 A 120 PHE HA A 121 ASP HA 1.0 1.8 4.1 53 46 A 120 PHE HA A 51 GLN HGx 1.0 1.8 4.0 54 47 A 19 ILE HD1% A 120 PHE HA 1.0 1.8 6.0 55 48 A 120 PHE HA A 23 VAL HGx% 1.0 1.8 6.0 56 49 A 123 GLU HA A 139 ASN HBx 1.0 1.8 5.0 57 50 A 123 GLU HA A 46 VAL HGy% 1.0 1.8 6.0 58 51 A 123 GLU HA A 124 VAL HGy% 1.0 1.8 5.3 59 52 A 124 VAL HGy% A 124 VAL HA 1.0 1.8 4.0 60 53 A 46 VAL HGy% A 124 VAL HA 1.0 1.8 5.3 61 54 A 127 LEU HA A 126 GLU HBy 1.0 1.8 6.0 62 55 A 127 LEU HA A 35 ALA HA 1.0 1.8 5.0 63 56 A 130 LEU HA A 131 VAL HB 1.0 1.8 5.0 64 57 A 130 LEU HA A 33 ALA HB% 1.0 1.8 5.0 65 58 A 130 LEU HA A 130 LEU HG 1.0 1.8 4.0 66 59 A 130 LEU HA A 129 THR HA 1.0 1.8 5.0 67 60 A 132 ALA HA A 8 ILE HG1y 1.0 1.8 4.0 68 61 A 132 ALA HA A 8 ILE HG2% 1.0 1.8 5.0 69 62 A 133 GLU HA A 65 ALA HB% 1.0 1.8 6.0 70 63 A 133 GLU HA A 7 ARG HBx 1.0 1.8 5.0 71 64 A 133 GLU HA A 133 GLU HGx 1.0 1.8 4.0 72 65 A 137 VAL HA A 81 TRP HZ2 1.0 1.8 6.0 73 66 A 137 VAL HA A 81 TRP HH2 1.0 1.8 4.0 74 67 A 137 VAL HA A 73 HIS HD2 1.0 1.8 5.0 75 68 A 137 VAL HA A 138 HIS HA 1.0 1.8 5.0 76 69 A 137 VAL HA A 137 VAL HGx% 1.0 1.8 4.0 77 70 A 137 VAL HA A 75 VAL HGy% 1.0 1.8 6.0 78 71 A 138 HIS HA A 129 THR HG2% 1.0 1.8 4.0 79 72 A 138 HIS HA A 130 LEU H 1.0 1.8 5.0 80 73 A 138 HIS HA A 73 HIS HE2 1.0 1.8 5.0 81 74 A 81 TRP HH2 A 138 HIS HA 1.0 1.8 4.0 82 75 A 138 HIS HA A 138 HIS HD2 1.0 1.8 4.0 83 76 A 139 ASN HBx A 124 VAL HGy% 1.0 1.8 4.0 84 77 A 124 VAL HGy% A 139 ASN HBy 1.0 1.8 4.0 85 78 A 49 PHE HA A 49 PHE HD% 1.0 1.8 4.0 86 79 A 50 ASP HA A 120 PHE HD1 1.0 1.8 4.0 87 79 A 50 ASP HA A 120 PHE HD2 1.0 1.8 4.0 88 80 A 120 PHE HA A 50 ASP HA 1.0 1.8 4.0 89 81 A 50 ASP HA A 23 VAL HGy% 1.0 1.8 6.0 90 82 A 118 ARG HA A 53 THR HA 1.0 1.8 3.0 91 83 A 53 THR HA A 54 ARG HGx 1.0 1.8 5.0 92 83 A 53 THR HA A 54 ARG HGy 1.0 1.8 5.0 93 84 A 54 ARG HA A 54 ARG HGx 1.0 1.8 4.0 94 84 A 54 ARG HGy A 54 ARG HA 1.0 1.8 4.0 95 85 A 55 ASP HA A 117 ALA H 1.0 1.8 5.0 96 86 A 55 ASP HA A 116 ARG HDx 1.0 1.8 6.0 97 87 A 55 ASP HA A 116 ARG HGx 1.0 1.8 6.0 98 87 A 55 ASP HA A 116 ARG HGy 1.0 1.8 6.0 99 88 A 114 THR HG2% A 55 ASP HA 1.0 1.8 6.0 100 89 A 55 ASP HA A 56 VAL HGy% 1.0 1.8 5.0 101 90 A 56 VAL HA A 70 THR HA 1.0 1.8 3.0 102 91 A 56 VAL HA A 70 THR HG2% 1.0 1.8 5.0 103 92 A 56 VAL HA A 114 THR HB 1.0 1.8 6.0 104 93 A 56 VAL HA A 71 PRO HDy 1.0 1.8 4.0 105 93 A 56 VAL HA A 71 PRO HDx 1.0 1.8 4.0 106 94 A 56 VAL HA A 56 VAL HGy% 1.0 1.8 4.0 107 95 A 114 THR HA A 57 ILE HA 1.0 1.8 3.0 108 96 A 57 ILE HA A 57 ILE HG1x 1.0 1.8 4.0 109 96 A 57 ILE HA A 57 ILE HG1y 1.0 1.8 4.0 110 97 A 113 PRO HA A 57 ILE HA 1.0 1.8 5.0 111 98 A 58 GLY HAx A 112 LEU HBy 1.0 1.8 4.3 112 99 A 112 LEU HBx A 58 GLY HAx 1.0 1.8 3.0 113 100 A 59 LEU HA A 112 LEU HDy% 1.0 1.8 5.0 114 101 A 108 ILE HG2% A 59 LEU HBx 1.0 1.8 5.0 115 102 A 108 ILE HG2% A 59 LEU HBy 1.0 1.8 6.0 116 103 A 59 LEU HA A 111 VAL HA 1.0 1.8 3.0 117 104 A 60 ARG HA A 66 ILE HA 1.0 1.8 3.0 118 105 A 108 ILE HG2% A 61 ILE HA 1.0 1.8 6.0 119 106 A 61 ILE HA A 61 ILE HG1y 1.0 1.8 4.0 120 106 A 61 ILE HA A 61 ILE HG1x 1.0 1.8 4.0 121 107 A 61 ILE HA A 61 ILE HG2% 1.0 1.8 4.0 122 108 A 62 ALA HA A 109 ARG HDx 1.0 1.8 4.0 123 108 A 109 ARG HDy A 62 ALA HA 1.0 1.8 4.0 124 109 A 62 ALA HA A 109 ARG HBx 1.0 1.8 5.0 125 110 A 22 VAL HA A 21 ASP HBx 1.0 1.8 5.0 126 111 A 22 VAL HA A 22 VAL HG2% 1.0 1.8 5.0 127 112 A 22 VAL HA A 27 LYS HGy 1.0 1.8 4.3 128 113 A 22 VAL HA A 27 LYS HBy 1.0 1.8 4.0 129 114 A 22 VAL HA A 29 ILE HG2% 1.0 1.8 6.0 130 115 A 23 VAL HGy% A 23 VAL HA 1.0 1.8 4.0 131 116 A 23 VAL HGx% A 23 VAL HA 1.0 1.8 4.0 132 117 A 23 VAL HA A 48 TRP HBx 1.0 1.8 4.0 133 117 A 23 VAL HA A 48 TRP HBy 1.0 1.8 4.0 134 118 A 23 VAL HA A 48 TRP HD1 1.0 1.8 6.0 135 119 A 31 VAL HA A 11 PRO HDx 1.0 1.8 5.0 136 120 A 32 VAL HA A 42 ALA HA 1.0 1.8 4.0 137 121 A 32 VAL HA A 42 ALA HB% 1.0 1.8 5.0 138 122 A 32 VAL HA A 31 VAL HGy% 1.0 1.8 5.0 139 123 A 39 THR HB A 40 LEU HBx 1.0 1.8 6.0 140 124 A 42 ALA HA A 43 ARG HA 1.0 1.8 5.0 141 125 A 42 ALA HA A 43 ARG HBy 1.0 1.8 5.0 142 126 A 42 ALA HA A 11 PRO HBx 1.0 1.8 6.0 143 126 A 42 ALA HA A 11 PRO HBy 1.0 1.8 6.0 144 127 A 42 ALA HA A 32 VAL HGy% 1.0 1.8 6.0 145 128 A 43 ARG HA A 30 HIS HD2 1.0 1.8 4.0 146 129 A 42 ALA HB% A 43 ARG HA 1.0 1.8 6.0 147 130 A 43 ARG HA A 44 PRO HDx 1.0 1.8 3.0 148 131 A 43 ARG HA A 44 PRO HDy 1.0 1.8 3.0 149 132 A 71 PRO HA A 84 ALA HB% 1.0 1.8 4.0 150 133 A 71 PRO HA A 71 PRO HGx 1.0 1.8 5.0 151 133 A 71 PRO HA A 71 PRO HGy 1.0 1.8 5.0 152 134 A 71 PRO HA A 57 ILE HG1x 1.0 1.8 4.0 153 134 A 57 ILE HG1y A 71 PRO HA 1.0 1.8 4.0 154 135 A 71 PRO HA A 57 ILE HD1% 1.0 1.8 4.0 155 136 A 73 HIS HD2 A 73 HIS HA 1.0 1.8 5.0 156 137 A 73 HIS HA A 69 ALA HB% 1.0 1.8 6.0 157 138 A 73 HIS HA A 74 LYS HBx 1.0 1.8 6.0 158 139 A 81 TRP HA A 76 LEU HBy 1.0 1.8 6.0 159 140 A 81 TRP HA A 81 TRP HD1 1.0 1.8 5.0 160 141 A 81 TRP HA A 81 TRP HE3 1.0 1.8 4.0 161 142 A 81 TRP HA A 81 TRP HBy 1.0 1.8 5.0 162 143 A 94 ALA HA A 105 TYR HA 1.0 1.8 4.0 163 144 A 94 ALA HA A 105 TYR HD% 1.0 1.8 6.0 164 145 A 94 ALA HA A 103 LEU HDx% 1.0 1.8 5.0 165 145 A 94 ALA HA A 103 LEU HDy% 1.0 1.8 5.0 166 146 A 98 VAL HA A 98 VAL HG21 1.0 1.8 3.0 167 147 A 100 THR HA A 102 GLU HGy 1.0 1.8 5.0 168 148 A 100 THR HA A 102 GLU HBy 1.0 1.8 6.0 169 149 A 100 THR HA A 100 THR HG2% 1.0 1.8 4.0 170 150 A 105 TYR HA A 106 SER HBy 1.0 1.8 6.0 171 151 A 61 ILE HG2% A 106 SER HBx 1.0 1.8 5.0 172 152 A 106 SER HBx A 95 VAL HGy% 1.0 1.8 6.0 173 153 A 61 ILE HG2% A 106 SER HBy 1.0 1.8 5.0 174 154 A 106 SER HBy A 95 VAL HGy% 1.0 1.8 6.0 175 155 A 119 THR HA A 1 CYS HBx 1.0 1.8 6.0 176 156 A 119 THR HA A 3 ALA HB% 1.0 1.8 6.0 177 157 A 1 CYS HBx A 119 THR HB 1.0 1.8 3.0 178 158 A 119 THR HB A 1 CYS HBy 1.0 1.8 3.0 179 159 A 70 THR HG2% A 119 THR HB 1.0 1.8 5.0 180 160 A 126 GLU HA A 126 GLU HGx 1.0 1.8 3.0 181 161 A 126 GLU HA A 126 GLU HGy 1.0 1.8 4.0 182 162 A 126 GLU HA A 127 LEU HDx% 1.0 1.8 6.0 183 163 A 126 GLU HA A 127 LEU HG 1.0 1.8 6.0 184 164 A 136 VAL HA A 131 VAL HA 1.0 1.8 4.0 185 165 A 136 VAL HA A 136 VAL HG2% 1.0 1.8 4.0 186 166 A 136 VAL HA A 136 VAL HG1% 1.0 1.8 4.0 187 167 A 137 VAL HGx% A 136 VAL HA 1.0 1.8 5.0 188 168 A 107 VAL HA A 108 ILE HB 1.0 1.8 5.0 189 169 A 107 VAL HA A 92 ARG HGx 1.0 1.8 4.0 190 170 A 107 VAL HA A 92 ARG HGy 1.0 1.8 3.0 191 171 A 107 VAL HA A 107 VAL HGx% 1.0 1.8 4.0 192 172 A 107 VAL HA A 92 ARG HDx 1.0 1.8 6.0 193 173 A 107 VAL HA A 92 ARG HDy 1.0 1.8 5.0 194 174 A 129 THR HA A 34 ALA HB% 1.0 1.8 6.0 195 175 A 19 ILE HA A 8 ILE HG1y 1.0 1.8 5.0 196 176 A 15 THR HG2% A 17 HIS HA 1.0 1.8 6.0 197 177 A 16 THR HG2% A 17 HIS HA 1.0 1.8 6.0 198 178 A 17 HIS HBx A 8 ILE HB 1.0 1.8 5.0 199 179 A 17 HIS HBy A 8 ILE HB 1.0 1.8 4.0 200 180 A 22 VAL HG2% A 17 HIS HBx 1.0 1.8 4.0 201 181 A 17 HIS HBy A 22 VAL HG2% 1.0 1.8 4.0 202 182 A 17 HIS HBx A 29 ILE HG1y 1.0 1.8 6.0 203 182 A 17 HIS HBx A 29 ILE HG1x 1.0 1.8 6.0 204 183 A 17 HIS HBy A 29 ILE HG1y 1.0 1.8 6.0 205 183 A 17 HIS HBy A 29 ILE HG1x 1.0 1.8 6.0 206 184 A 25 GLY HAy A 27 LYS HEx 1.0 1.8 5.3 207 185 A 25 GLY HAx A 27 LYS HEy 1.0 1.8 4.0 208 186 A 27 LYS HGy A 25 GLY HAx 1.0 1.8 4.0 209 187 A 48 TRP HD1 A 26 ARG HA 1.0 1.8 4.0 210 188 A 26 ARG HA A 48 TRP HBx 1.0 1.8 4.0 211 188 A 48 TRP HBy A 26 ARG HA 1.0 1.8 4.0 212 189 A 26 ARG HA A 26 ARG HDx 1.0 1.8 5.0 213 190 A 26 ARG HA A 26 ARG HDy 1.0 1.8 5.0 214 191 A 23 VAL HA A 26 ARG HA 1.0 1.8 4.0 215 192 A 22 VAL HA A 27 LYS HA 1.0 1.8 6.0 216 193 A 30 HIS HD2 A 30 HIS HA 1.0 1.8 6.0 217 194 A 30 HIS HA A 44 PRO HA 1.0 1.8 3.0 218 195 A 30 HIS HA A 31 VAL HGx% 1.0 1.8 5.0 219 196 A 31 VAL HGy% A 30 HIS HA 1.0 1.8 6.0 220 197 A 12 VAL HGy% A 30 HIS HA 1.0 1.8 6.0 221 198 A 42 ALA HB% A 30 HIS HBx 1.0 1.8 6.0 222 199 A 42 ALA HB% A 30 HIS HBy 1.0 1.8 6.0 223 200 A 12 VAL HGx% A 30 HIS HBx 1.0 1.8 6.0 224 201 A 12 VAL HGx% A 30 HIS HBy 1.0 1.8 6.0 225 202 A 12 VAL HGy% A 30 HIS HBx 1.0 1.8 4.0 226 203 A 12 VAL HGy% A 30 HIS HBy 1.0 1.8 4.0 227 204 A 30 HIS HBx A 12 VAL HB 1.0 1.8 4.0 228 205 A 30 HIS HBy A 12 VAL HB 1.0 1.8 6.0 229 206 A 31 VAL HGx% A 30 HIS HBy 1.0 1.8 6.0 230 207 A 31 VAL HA A 31 VAL HGy% 1.0 1.8 4.0 231 208 A 31 VAL HB A 130 LEU HB2 1.0 1.8 3.0 232 209 A 31 VAL HB A 130 LEU HB3 1.0 1.8 4.0 233 210 A 130 LEU HA A 31 VAL HB 1.0 1.8 4.0 234 211 A 130 LEU HB3 A 33 ALA HA 1.0 1.8 5.0 235 212 A 130 LEU HA A 33 ALA HA 1.0 1.8 3.0 236 213 A 130 LEU HB2 A 33 ALA HA 1.0 1.8 5.0 237 214 A 33 ALA HA A 131 VAL H 1.0 1.8 5.0 238 215 A 33 ALA HA A 131 VAL HGy% 1.0 1.8 6.0 239 216 A 34 ALA HA A 35 ALA HB% 1.0 1.8 6.0 240 217 A 33 ALA HA A 34 ALA HA 1.0 1.8 5.0 241 218 A 34 ALA HA A 40 LEU HG 1.0 1.8 5.0 242 219 A 34 ALA HA A 40 LEU HDy% 1.0 1.8 4.0 243 220 A 34 ALA HA A 40 LEU HA 1.0 1.8 3.0 244 221 A 35 ALA HA A 127 LEU HDx% 1.0 1.8 4.0 245 222 A 35 ALA HA A 127 LEU HDy% 1.0 1.8 3.0 246 223 A 35 ALA HA A 36 LYS HA 1.0 1.8 5.0 247 224 A 35 ALA HB% A 36 LYS HA 1.0 1.8 6.0 248 225 A 36 LYS HA A 36 LYS HD2 1.0 1.8 6.0 249 225 A 36 LYS HA A 36 LYS HDy 1.0 1.8 6.0 250 226 A 37 ASP HA A 38 GLY HAx 1.0 1.8 5.0 251 227 A 38 GLY HAx A 103 LEU HDx% 1.0 1.8 5.0 252 227 A 38 GLY HAy A 103 LEU HDx% 1.0 1.8 5.0 253 228 A 39 THR HG2% A 38 GLY HAy 1.0 1.8 6.0 254 228 A 38 GLY HAx A 39 THR HG2% 1.0 1.8 6.0 255 229 A 40 LEU HG A 40 LEU HA 1.0 1.8 4.0 256 230 A 40 LEU HA A 40 LEU HDx% 1.0 1.8 5.0 257 231 A 40 LEU HDy% A 40 LEU HA 1.0 1.8 4.0 258 232 A 42 ALA HB% A 41 HIS HA 1.0 1.8 6.0 259 233 A 41 HIS HBx A 41 HIS HD2 1.0 1.8 4.0 260 234 A 41 HIS HD2 A 41 HIS HBy 1.0 1.8 4.0 261 235 A 124 VAL HGy% A 45 VAL HA 1.0 1.8 5.0 262 236 A 124 VAL HA A 45 VAL HA 1.0 1.8 3.0 263 237 A 45 VAL HA A 46 VAL HA 1.0 1.8 5.0 264 238 A 45 VAL HA A 45 VAL HGy% 1.0 1.8 4.0 265 239 A 46 VAL HA A 48 TRP HH2 1.0 1.8 3.0 266 240 A 46 VAL HA A 47 SER HA 1.0 1.8 5.0 267 241 A 46 VAL HA A 46 VAL HGx% 1.0 1.8 4.0 268 242 A 46 VAL HGy% A 46 VAL HA 1.0 1.8 4.0 269 243 A 47 SER HA A 48 TRP HZ3 1.0 1.8 4.0 270 244 A 48 TRP HH2 A 47 SER HA 1.0 1.8 6.0 271 245 A 46 VAL HGy% A 47 SER HA 1.0 1.8 6.0 272 246 A 23 VAL HGx% A 48 TRP HA 1.0 1.8 6.0 273 247 A 48 TRP HA A 122 LEU HA 1.0 1.8 4.0 274 248 A 66 ILE HA A 66 ILE HG1x 1.0 1.8 3.0 275 248 A 66 ILE HA A 66 ILE HG1y 1.0 1.8 3.0 276 249 A 68 TRP HA A 67 LEU HA 1.0 1.8 5.0 277 250 A 58 GLY HAx A 68 TRP HA 1.0 1.8 4.0 278 251 A 68 TRP HA A 56 VAL HB 1.0 1.8 4.0 279 252 A 68 TRP HA A 56 VAL HGx% 1.0 1.8 6.3 280 253 A 68 TRP HA A 69 ALA HA 1.0 1.8 5.0 281 254 A 68 TRP HA A 68 TRP HD1 1.0 1.8 5.0 282 255 A 69 ALA HA A 2 LEU HA 1.0 1.8 3.0 283 256 A 69 ALA HA A 2 LEU HBx 1.0 1.8 6.0 284 256 A 2 LEU HBy A 69 ALA HA 1.0 1.8 6.0 285 257 A 3 ALA HB% A 69 ALA HA 1.0 1.8 5.0 286 258 A 74 LYS HBy A 138 HIS HBx 1.0 1.8 4.0 287 259 A 74 LYS HBy A 83 ALA HA 1.0 1.8 5.3 288 260 A 81 TRP HA A 76 LEU HA 1.0 1.8 3.0 289 261 A 76 LEU HA A 76 LEU HG 1.0 1.8 4.0 290 262 A 76 LEU HA A 76 LEU HDy% 1.0 1.8 5.0 291 263 A 76 LEU HDy% A 76 LEU HBx 1.0 1.8 4.0 292 264 A 76 LEU HBy A 76 LEU HDy% 1.0 1.8 4.0 293 265 A 78 GLU HA A 78 GLU HGx 1.0 1.8 4.0 294 266 A 78 GLU HA A 78 GLU HGy 1.0 1.8 4.0 295 267 A 80 GLY HAx A 76 LEU HDx% 1.0 1.8 5.0 296 268 A 76 LEU HDx% A 80 GLY HAy 1.0 1.8 4.0 297 269 A 82 ARG HA A 81 TRP HBx 1.0 1.8 5.0 298 270 A 57 ILE HD1% A 84 ALA HA 1.0 1.8 6.0 299 271 A 84 ALA HA A 59 LEU HD1% 1.0 1.8 4.0 300 272 A 84 ALA HA A 87 LEU HBy 1.0 1.8 4.0 301 273 A 84 ALA HA A 87 LEU HBx 1.0 1.8 5.0 302 274 A 86 GLU HA A 86 GLU HG2 1.0 1.8 4.0 303 274 A 86 GLU HA A 86 GLU HG3 1.0 1.8 4.0 304 275 A 87 LEU HA A 88 ARG HBy 1.0 1.8 5.0 305 276 A 87 LEU HA A 87 LEU HG 1.0 1.8 4.0 306 277 A 88 ARG HA A 88 ARG HDx 1.0 1.8 3.0 307 278 A 88 ARG HA A 88 ARG HDy 1.0 1.8 4.0 308 279 A 108 ILE HG2% A 89 LYS HA 1.0 1.8 4.0 309 280 A 89 LYS HG3 A 89 LYS HA 1.0 1.8 3.0 310 281 A 89 LYS HA A 89 LYS HG2 1.0 1.8 4.0 311 282 A 110 GLU HA A 89 LYS HA 1.0 1.8 5.0 312 283 A 89 LYS HA A 89 LYS HEx 1.0 1.8 5.0 313 284 A 108 ILE HB A 89 LYS HA 1.0 1.8 3.0 314 285 A 107 VAL HGy% A 90 GLY HAx 1.0 1.8 6.3 315 285 A 90 GLY HAx A 107 VAL HGx% 1.0 1.8 6.3 316 286 A 107 VAL HGy% A 90 GLY HAy 1.0 1.8 5.0 317 286 A 90 GLY HAy A 107 VAL HGx% 1.0 1.8 5.0 318 287 A 107 VAL HA A 92 ARG HA 1.0 1.8 3.0 319 288 A 92 ARG HDy A 92 ARG HA 1.0 1.8 5.0 320 289 A 92 ARG HA A 108 ILE HG1x 1.0 1.8 5.0 321 289 A 92 ARG HA A 108 ILE HG1y 1.0 1.8 5.0 322 290 A 93 VAL HA A 77 THR HG2% 1.0 1.8 5.0 323 291 A 93 VAL HA A 92 ARG HBy 1.0 1.8 6.0 324 292 A 93 VAL HA A 93 VAL HGx% 1.0 1.8 4.0 325 293 A 93 VAL HA A 94 ALA HB% 1.0 1.8 6.0 326 294 A 95 VAL HA A 135 VAL HA 1.0 1.8 3.0 327 295 A 95 VAL HA A 135 VAL HG1% 1.0 1.8 5.0 328 295 A 95 VAL HA A 135 VAL HG2% 1.0 1.8 5.0 329 296 A 136 VAL HG2% A 95 VAL HA 1.0 1.8 5.0 330 297 A 95 VAL HA A 95 VAL HGx% 1.0 1.8 4.0 331 298 A 95 VAL HGy% A 95 VAL HA 1.0 1.8 4.0 332 299 A 96 ARG HA A 103 LEU HA 1.0 1.8 3.0 333 300 A 96 ARG HA A 96 ARG HDx 1.0 1.8 6.0 334 301 A 96 ARG HA A 96 ARG HDy 1.0 1.8 5.0 335 302 A 95 VAL HGy% A 96 ARG HA 1.0 1.8 5.3 336 303 A 96 ARG HA A 131 VAL HGy% 1.0 1.8 6.0 337 304 A 136 VAL HG2% A 96 ARG HA 1.0 1.8 6.0 338 305 A 99 GLU HA A 99 GLU HGx 1.0 1.8 4.0 339 305 A 99 GLU HA A 99 GLU HGy 1.0 1.8 4.0 340 306 A 96 ARG HGy A 101 GLY HAy 1.0 1.8 4.0 341 306 A 101 GLY HAx A 96 ARG HGy 1.0 1.8 4.0 342 307 A 102 GLU HA A 102 GLU HGx 1.0 1.8 3.0 343 308 A 104 ARG HA A 104 ARG HGx 1.0 1.8 4.0 344 308 A 104 ARG HA A 104 ARG HGy 1.0 1.8 4.0 345 309 A 104 ARG HA A 104 ARG HDx 1.0 1.8 5.0 346 310 A 104 ARG HA A 104 ARG HDy 1.0 1.8 5.0 347 311 A 104 ARG HA A 103 LEU HG 1.0 1.8 6.0 348 312 A 105 TYR HD% A 104 ARG HA 1.0 1.8 5.0 349 313 A 105 TYR HA A 94 ALA HB% 1.0 1.8 6.0 350 314 A 105 TYR HA A 95 VAL HGy% 1.0 1.8 5.0 351 315 A 105 TYR HA A 106 SER HA 1.0 1.8 5.0 352 316 A 105 TYR HA A 105 TYR HD% 1.0 1.8 3.0 353 317 A 106 SER HA A 105 TYR HBx 1.0 1.8 5.0 354 318 A 70 THR HG2% A 1 CYS HBy 1.0 1.8 3.0 355 319 A 2 LEU HA A 2 LEU HD1% 1.0 1.8 5.0 356 320 A 2 LEU HA A 2 LEU HD2% 1.0 1.8 3.0 357 321 A 2 LEU HG A 1 CYS HA 1.0 1.8 4.0 358 322 A 2 LEU HBy A 3 ALA HA 1.0 1.8 5.3 359 323 A 3 ALA HB% A 2 LEU HA 1.0 1.8 5.0 360 324 A 3 ALA HB% A 68 TRP HA 1.0 1.8 5.0 361 325 A 3 ALA HB% A 68 TRP H 1.0 1.8 6.0 362 326 A 3 ALA HB% A 68 TRP HBx 1.0 1.8 3.0 363 327 A 3 ALA HB% A 68 TRP HBy 1.0 1.8 3.0 364 328 A 3 ALA HB% A 56 VAL HB 1.0 1.8 4.0 365 329 A 3 ALA HB% A 56 VAL HGy% 1.0 1.8 4.0 366 330 A 3 ALA HB% A 117 ALA HB% 1.0 1.8 5.0 367 331 A 4 GLU HA A 19 ILE HG1x 1.0 1.8 6.3 368 331 A 19 ILE HG1y A 4 GLU HA 1.0 1.8 6.3 369 332 A 20 GLU HA A 4 GLU HA 1.0 1.8 5.0 370 333 A 4 GLU HA A 20 GLU HBx 1.0 1.8 4.0 371 333 A 4 GLU HA A 20 GLU HBy 1.0 1.8 4.0 372 334 A 4 GLU HA A 4 GLU HGy 1.0 1.8 4.0 373 335 A 4 GLU HA A 4 GLU HGx 1.0 1.8 3.0 374 336 A 5 GLY HAy A 18 ARG HDx 1.0 1.8 4.0 375 336 A 5 GLY HAy A 18 ARG HDy 1.0 1.8 4.0 376 337 A 5 GLY HAx A 18 ARG HDx 1.0 1.8 5.0 377 337 A 18 ARG HDy A 5 GLY HAx 1.0 1.8 5.0 378 338 A 6 THR HA A 6 THR HG2% 1.0 1.8 4.0 379 339 A 6 THR HA A 7 ARG HBx 1.0 1.8 6.0 380 340 A 133 GLU HGx A 6 THR HA 1.0 1.8 4.0 381 341 A 6 THR HA A 133 GLU HGy 1.0 1.8 4.0 382 342 A 6 THR HA A 2 LEU HBx 1.0 1.8 6.0 383 342 A 2 LEU HBy A 6 THR HA 1.0 1.8 6.0 384 343 A 7 ARG HA A 7 ARG HDx 1.0 1.8 5.0 385 344 A 7 ARG HA A 7 ARG HDy 1.0 1.8 5.0 386 345 A 7 ARG HA A 7 ARG HGy 1.0 1.8 3.0 387 345 A 7 ARG HA A 7 ARG HGx 1.0 1.8 3.0 388 346 A 132 ALA HA A 8 ILE HA 1.0 1.8 4.0 389 347 A 8 ILE HA A 8 ILE HG1y 1.0 1.8 3.0 390 348 A 16 THR HG2% A 8 ILE HA 1.0 1.8 6.0 391 349 A 8 ILE HG2% A 8 ILE HA 1.0 1.8 4.0 392 350 A 8 ILE HB A 7 ARG HA 1.0 1.8 5.0 393 351 A 8 ILE HB A 7 ARG HBx 1.0 1.8 6.0 394 352 A 16 THR HG2% A 9 PHE HA 1.0 1.8 5.0 395 353 A 9 PHE HBx A 9 PHE HD% 1.0 1.8 3.0 396 354 A 9 PHE HBy A 9 PHE HD% 1.0 1.8 3.0 397 355 A 11 PRO HA A 10 ASP HA 1.0 1.8 5.0 398 356 A 11 PRO HBy A 10 ASP HA 1.0 1.8 6.0 399 357 A 11 PRO HDx A 10 ASP HA 1.0 1.8 3.0 400 358 A 10 ASP HA A 11 PRO HDy 1.0 1.8 3.0 401 359 A 30 HIS HBx A 10 ASP HA 1.0 1.8 6.0 402 360 A 30 HIS HBy A 10 ASP HA 1.0 1.8 6.0 403 361 A 10 ASP HA A 29 ILE HD1% 1.0 1.8 6.0 404 362 A 31 VAL HA A 10 ASP HA 1.0 1.8 3.0 405 363 A 10 ASP HA A 30 HIS H 1.0 1.8 6.0 406 364 A 15 THR HB A 10 ASP HBx 1.0 1.8 5.0 407 365 A 15 THR HB A 10 ASP HBy 1.0 1.8 6.0 408 366 A 42 ALA HB% A 11 PRO HBx 1.0 1.8 5.3 409 367 A 32 VAL HGx% A 11 PRO HBx 1.0 1.8 5.3 410 368 A 14 GLY HAx A 9 PHE HZ 1.0 1.8 5.0 411 369 A 9 PHE HZ A 14 GLY HAy 1.0 1.8 3.0 412 370 A 108 ILE HG2% A 108 ILE HA 1.0 1.8 4.0 413 371 A 136 VAL HA A 131 VAL HA 1.0 1.8 3.0 414 372 A 137 VAL HGx% A 131 VAL HA 1.0 1.8 6.0 415 373 A 131 VAL HA A 131 VAL HGx% 1.0 1.8 3.0 416 373 A 131 VAL HA A 131 VAL HGy% 1.0 1.8 3.0 417 374 A 131 VAL HA A 136 VAL HG2% 1.0 1.8 5.0 418 375 A 28 PRO HA A 29 ILE HG1y 1.0 1.8 6.0 419 375 A 29 ILE HG1x A 28 PRO HA 1.0 1.8 6.0 420 376 A 27 LYS HA A 28 PRO HA 1.0 1.8 5.0 421 377 A 28 PRO HA A 28 PRO HDy 1.0 1.8 5.0 422 378 A 48 TRP HH2 A 28 PRO HA 1.0 1.8 5.0 423 379 A 28 PRO HA A 45 VAL HB 1.0 1.8 4.0 424 380 A 30 HIS HD2 A 44 PRO HA 1.0 1.8 4.0 425 381 A 44 PRO HA A 45 VAL HB 1.0 1.8 5.0 426 382 A 44 PRO HA A 45 VAL HGy% 1.0 1.8 6.0 427 383 A 13 THR HG2% A 13 THR HA 1.0 1.8 4.0 428 384 A 14 GLY HAy A 13 THR HA 1.0 1.8 6.0 429 385 A 29 ILE HA A 29 ILE HG1y 1.0 1.8 4.0 430 385 A 29 ILE HG1x A 29 ILE HA 1.0 1.8 4.0 431 386 A 29 ILE HG2% A 29 ILE HA 1.0 1.8 4.0 432 387 A 70 THR HA A 70 THR HG2% 1.0 1.8 4.0 433 388 A 70 THR HA A 57 ILE HG1x 1.0 1.8 6.0 434 388 A 70 THR HA A 57 ILE HG1y 1.0 1.8 6.0 435 389 A 70 THR HA A 71 PRO HDx 1.0 1.8 3.0 436 390 A 70 THR HA A 71 PRO HDy 1.0 1.8 3.0 437 391 A 75 VAL HA A 75 VAL HGx% 1.0 1.8 4.0 438 392 A 137 VAL HA A 75 VAL HA 1.0 1.8 3.0 439 393 A 135 VAL HA A 135 VAL HG1% 1.0 1.8 4.0 440 393 A 135 VAL HA A 135 VAL HG2% 1.0 1.8 4.0 441 394 A 136 VAL HG2% A 135 VAL HA 1.0 1.8 5.0 442 395 A 95 VAL HGy% A 135 VAL HA 1.0 1.8 6.0 443 396 A 112 LEU HDx% A 111 VAL HA 1.0 1.8 6.0 444 397 A 78 GLU HGy A 77 THR HA 1.0 1.8 5.0 445 398 A 77 THR HG2% A 77 THR HA 1.0 1.8 4.0 446 399 A 93 VAL HA A 77 THR HA 1.0 1.8 3.0 447 400 A 77 THR HA A 93 VAL HB 1.0 1.8 5.0 448 401 A 119 THR HA A 2 LEU H 1.0 1.8 5.0 449 402 A 119 THR HB A 2 LEU H 1.0 1.8 4.0 450 403 A 120 PHE HA A 2 LEU H 1.0 1.8 5.0 451 404 A 19 ILE HD1% A 2 LEU H 1.0 1.8 4.5 452 405 A 2 LEU H A 19 ILE HG2% 1.0 1.8 6.0 453 406 A 1 CYS HA A 2 LEU H 1.0 1.8 3.0 454 407 A 1 CYS HBx A 2 LEU H 1.0 1.8 3.3 455 408 A 1 CYS HBy A 2 LEU H 1.0 1.8 4.0 456 409 A 2 LEU HA A 2 LEU H 1.0 1.8 4.0 457 410 A 2 LEU H A 2 LEU HBx 1.0 1.8 4.0 458 410 A 2 LEU HBy A 2 LEU H 1.0 1.8 4.0 459 411 A 2 LEU HG A 2 LEU H 1.0 1.8 3.0 460 412 A 2 LEU H A 2 LEU HD1% 1.0 1.8 5.0 461 412 A 2 LEU H A 2 LEU HD2% 1.0 1.8 5.0 462 413 A 2 LEU HA A 3 ALA H 1.0 1.8 3.0 463 414 A 3 ALA H A 2 LEU HBx 1.0 1.8 4.0 464 414 A 2 LEU HBy A 3 ALA H 1.0 1.8 4.0 465 415 A 2 LEU HD2% A 3 ALA H 1.0 1.8 4.5 466 416 A 3 ALA HA A 3 ALA H 1.0 1.8 4.0 467 417 A 3 ALA HB% A 3 ALA H 1.0 1.8 3.0 468 418 A 69 ALA HA A 3 ALA H 1.0 1.8 3.0 469 419 A 68 TRP HBx A 3 ALA H 1.0 1.8 5.0 470 420 A 119 THR HA A 4 GLU H 1.0 1.8 4.0 471 421 A 3 ALA HA A 4 GLU H 1.0 1.8 3.0 472 422 A 3 ALA HB% A 4 GLU H 1.0 1.8 4.0 473 423 A 4 GLU HA A 4 GLU H 1.0 1.8 3.0 474 424 A 4 GLU H A 4 GLU HB2 1.0 1.8 3.0 475 424 A 4 GLU H A 4 GLU HB3 1.0 1.8 3.0 476 425 A 4 GLU HGx A 4 GLU H 1.0 1.8 5.0 477 426 A 4 GLU HGy A 4 GLU H 1.0 1.8 4.3 478 427 A 4 GLU H A 56 VAL HGx% 1.0 1.8 6.0 479 427 A 4 GLU H A 56 VAL HGy% 1.0 1.8 6.0 480 428 A 19 ILE HG2% A 5 GLY H 1.0 1.8 4.0 481 429 A 4 GLU HA A 5 GLY H 1.0 1.8 3.0 482 430 A 4 GLU HGx A 5 GLY H 1.0 1.8 3.5 483 431 A 4 GLU HGy A 5 GLY H 1.0 1.8 4.0 484 432 A 5 GLY HAx A 5 GLY H 1.0 1.8 3.0 485 433 A 5 GLY HAy A 5 GLY H 1.0 1.8 3.0 486 434 A 5 GLY H A 6 THR H 1.0 1.8 3.0 487 435 A 6 THR H A 19 ILE HB 1.0 1.8 5.0 488 436 A 19 ILE HG2% A 6 THR H 1.0 1.8 4.0 489 437 A 6 THR H A 19 ILE H 1.0 1.8 5.0 490 438 A 6 THR H A 20 GLU H 1.0 1.8 5.0 491 439 A 6 THR HB A 6 THR H 1.0 1.8 3.0 492 440 A 5 GLY HAx A 6 THR H 1.0 1.8 4.0 493 441 A 5 GLY HAy A 6 THR H 1.0 1.8 4.0 494 442 A 6 THR HA A 6 THR H 1.0 1.8 4.0 495 443 A 6 THR HG2% A 6 THR H 1.0 1.8 5.0 496 444 A 6 THR H A 7 ARG H 1.0 1.8 6.0 497 445 A 133 GLU HA A 7 ARG H 1.0 1.8 5.0 498 446 A 133 GLU HGx A 7 ARG H 1.0 1.8 5.0 499 447 A 7 ARG H A 133 GLU HGy 1.0 1.8 3.0 500 448 A 7 ARG H A 133 GLU HBy 1.0 1.8 5.0 501 449 A 7 ARG H A 133 GLU H 1.0 1.8 4.0 502 450 A 6 THR HA A 7 ARG H 1.0 1.8 3.0 503 451 A 6 THR HB A 7 ARG H 1.0 1.8 5.0 504 452 A 6 THR HG2% A 7 ARG H 1.0 1.8 4.0 505 453 A 7 ARG HA A 7 ARG H 1.0 1.8 4.0 506 454 A 7 ARG H A 7 ARG HBx 1.0 1.8 4.0 507 455 A 7 ARG H A 7 ARG HBy 1.0 1.8 3.0 508 456 A 7 ARG H A 8 ILE HG1x 1.0 1.8 6.0 509 456 A 7 ARG H A 8 ILE HG1y 1.0 1.8 6.0 510 457 A 16 THR HG2% A 8 ILE H 1.0 1.8 4.0 511 458 A 17 HIS HBy A 8 ILE H 1.0 1.8 6.0 512 459 A 8 ILE H A 17 HIS H 1.0 1.8 4.0 513 460 A 8 ILE H A 18 ARG H 1.0 1.8 5.0 514 461 A 6 THR HG2% A 8 ILE H 1.0 1.8 6.0 515 462 A 7 ARG HA A 8 ILE H 1.0 1.8 3.0 516 463 A 8 ILE HA A 8 ILE H 1.0 1.8 4.0 517 464 A 8 ILE HB A 8 ILE H 1.0 1.8 3.0 518 465 A 8 ILE H A 8 ILE HD1% 1.0 1.8 5.0 519 466 A 8 ILE HG2% A 8 ILE H 1.0 1.8 5.0 520 467 A 9 PHE H A 16 THR HG2% 1.0 1.8 6.0 521 468 A 9 PHE H A 8 ILE HA 1.0 1.8 3.0 522 469 A 9 PHE H A 8 ILE HG2% 1.0 1.8 4.0 523 470 A 9 PHE H A 8 ILE HG1x 1.0 1.8 6.0 524 470 A 9 PHE H A 8 ILE HG1y 1.0 1.8 6.0 525 471 A 9 PHE H A 8 ILE H 1.0 1.8 5.0 526 472 A 9 PHE H A 9 PHE HA 1.0 1.8 4.0 527 473 A 9 PHE H A 9 PHE HBx 1.0 1.8 3.0 528 474 A 9 PHE HBy A 9 PHE H 1.0 1.8 3.0 529 475 A 9 PHE H A 9 PHE HD% 1.0 1.8 5.0 530 476 A 10 ASP HA A 10 ASP H 1.0 1.8 4.0 531 477 A 10 ASP HBx A 10 ASP H 1.0 1.8 3.0 532 478 A 10 ASP HBy A 10 ASP H 1.0 1.8 4.0 533 479 A 14 GLY HAy A 10 ASP H 1.0 1.8 5.0 534 480 A 17 HIS H A 10 ASP H 1.0 1.8 6.0 535 481 A 9 PHE HA A 10 ASP H 1.0 1.8 3.0 536 482 A 9 PHE HBy A 10 ASP H 1.0 1.8 5.0 537 483 A 9 PHE HD% A 10 ASP H 1.0 1.8 4.0 538 484 A 12 VAL H A 11 PRO HBx 1.0 1.8 5.0 539 485 A 12 VAL HA A 12 VAL H 1.0 1.8 4.0 540 486 A 12 VAL HB A 12 VAL H 1.0 1.8 3.0 541 487 A 12 VAL HGx% A 12 VAL H 1.0 1.8 4.5 542 488 A 12 VAL HGy% A 12 VAL H 1.0 1.8 3.3 543 489 A 12 VAL H A 13 THR H 1.0 1.8 3.0 544 490 A 12 VAL H A 14 GLY H 1.0 1.8 4.0 545 491 A 30 HIS HBy A 12 VAL H 1.0 1.8 6.0 546 492 A 42 ALA HB% A 12 VAL H 1.0 1.8 6.0 547 493 A 10 ASP HBx A 13 THR H 1.0 1.8 4.0 548 494 A 12 VAL HA A 13 THR H 1.0 1.8 4.0 549 495 A 12 VAL HB A 13 THR H 1.0 1.8 3.0 550 496 A 12 VAL HGx% A 13 THR H 1.0 1.8 5.0 551 497 A 12 VAL HGy% A 13 THR H 1.0 1.8 5.0 552 498 A 13 THR HA A 13 THR H 1.0 1.8 4.0 553 499 A 13 THR HG2% A 13 THR H 1.0 1.8 4.0 554 500 A 13 THR H A 14 GLY H 1.0 1.8 3.0 555 501 A 13 THR H A 15 THR H 1.0 1.8 5.0 556 502 A 10 ASP HBx A 14 GLY H 1.0 1.8 4.0 557 503 A 12 VAL HB A 14 GLY H 1.0 1.8 5.0 558 504 A 12 VAL HA A 14 GLY H 1.0 1.8 5.0 559 505 A 12 VAL HGy% A 14 GLY H 1.0 1.8 6.3 560 506 A 13 THR HA A 14 GLY H 1.0 1.8 4.0 561 507 A 13 THR HG2% A 14 GLY H 1.0 1.8 5.0 562 508 A 14 GLY HAx A 14 GLY H 1.0 1.8 4.0 563 509 A 14 GLY HAy A 14 GLY H 1.0 1.8 3.0 564 510 A 14 GLY H A 15 THR H 1.0 1.8 3.0 565 511 A 15 THR HB A 14 GLY H 1.0 1.8 6.0 566 512 A 11 PRO HA A 14 GLY H 1.0 1.8 4.0 567 513 A 10 ASP HBx A 15 THR H 1.0 1.8 3.0 568 514 A 10 ASP HBy A 15 THR H 1.0 1.8 5.0 569 515 A 10 ASP H A 15 THR H 1.0 1.8 4.0 570 516 A 14 GLY HAx A 15 THR H 1.0 1.8 4.0 571 517 A 14 GLY HAy A 15 THR H 1.0 1.8 4.0 572 518 A 15 THR HA A 15 THR H 1.0 1.8 4.0 573 519 A 15 THR HB A 15 THR H 1.0 1.8 3.0 574 520 A 15 THR HG2% A 15 THR H 1.0 1.8 6.0 575 521 A 9 PHE HA A 16 THR H 1.0 1.8 6.0 576 522 A 15 THR HA A 16 THR H 1.0 1.8 3.0 577 523 A 15 THR HB A 16 THR H 1.0 1.8 5.0 578 524 A 15 THR HG2% A 16 THR H 1.0 1.8 4.0 579 525 A 15 THR H A 16 THR H 1.0 1.8 5.0 580 526 A 16 THR HA A 16 THR H 1.0 1.8 4.0 581 527 A 16 THR H A 16 THR HB 1.0 1.8 3.0 582 528 A 16 THR HG2% A 16 THR H 1.0 1.8 5.0 583 529 A 17 HIS H A 16 THR H 1.0 1.8 6.0 584 530 A 16 THR HA A 17 HIS H 1.0 1.8 3.0 585 531 A 17 HIS H A 16 THR HB 1.0 1.8 6.0 586 532 A 16 THR HG2% A 17 HIS H 1.0 1.8 5.0 587 533 A 15 THR HG2% A 17 HIS H 1.0 1.8 6.0 588 534 A 17 HIS HA A 17 HIS H 1.0 1.8 4.0 589 535 A 17 HIS HBx A 17 HIS H 1.0 1.8 6.0 590 536 A 17 HIS HBy A 17 HIS H 1.0 1.8 5.0 591 537 A 17 HIS H A 17 HIS HD2 1.0 1.8 5.0 592 538 A 17 HIS H A 18 ARG H 1.0 1.8 6.0 593 539 A 8 ILE HB A 17 HIS H 1.0 1.8 5.0 594 540 A 17 HIS HA A 18 ARG H 1.0 1.8 3.0 595 541 A 17 HIS HBx A 18 ARG H 1.0 1.8 4.0 596 542 A 17 HIS HBy A 18 ARG H 1.0 1.8 5.0 597 543 A 18 ARG H A 18 ARG HA 1.0 1.8 4.0 598 544 A 18 ARG H A 18 ARG HBx 1.0 1.8 4.0 599 545 A 18 ARG H A 18 ARG HBy 1.0 1.8 3.0 600 546 A 18 ARG H A 18 ARG HGx 1.0 1.8 4.0 601 546 A 18 ARG H A 18 ARG HGy 1.0 1.8 4.0 602 547 A 18 ARG H A 18 ARG HDx 1.0 1.8 6.0 603 547 A 18 ARG HDy A 18 ARG H 1.0 1.8 6.0 604 548 A 19 ILE H A 18 ARG H 1.0 1.8 5.0 605 549 A 22 VAL HG2% A 18 ARG H 1.0 1.8 5.0 606 550 A 19 ILE H A 18 ARG HA 1.0 1.8 3.0 607 551 A 19 ILE HG2% A 19 ILE H 1.0 1.8 4.0 608 552 A 6 THR HB A 19 ILE H 1.0 1.8 4.0 609 553 A 5 GLY HAy A 19 ILE H 1.0 1.8 6.0 610 554 A 7 ARG HA A 19 ILE H 1.0 1.8 4.0 611 555 A 19 ILE H A 8 ILE HD1% 1.0 1.8 5.0 612 556 A 19 ILE H A 8 ILE HG1x 1.0 1.8 5.0 613 556 A 19 ILE H A 8 ILE HG1y 1.0 1.8 5.0 614 557 A 19 ILE H A 8 ILE H 1.0 1.8 5.0 615 558 A 19 ILE HB A 19 ILE H 1.0 1.8 3.0 616 559 A 19 ILE HG2% A 20 GLU H 1.0 1.8 4.0 617 560 A 19 ILE H A 20 GLU H 1.0 1.8 4.0 618 561 A 20 GLU HA A 20 GLU H 1.0 1.8 4.0 619 562 A 20 GLU H A 20 GLU HBx 1.0 1.8 4.0 620 562 A 20 GLU HBy A 20 GLU H 1.0 1.8 4.0 621 563 A 20 GLU H A 20 GLU HGx 1.0 1.8 5.0 622 564 A 20 GLU H A 20 GLU HGy 1.0 1.8 4.0 623 565 A 21 ASP H A 20 GLU H 1.0 1.8 3.0 624 566 A 4 GLU HA A 20 GLU H 1.0 1.8 4.0 625 567 A 19 ILE HB A 20 GLU H 1.0 1.8 5.0 626 568 A 5 GLY H A 20 GLU H 1.0 1.8 4.0 627 569 A 21 ASP H A 18 ARG HBx 1.0 1.8 4.0 628 569 A 21 ASP H A 18 ARG HBy 1.0 1.8 4.0 629 570 A 21 ASP H A 20 GLU HBx 1.0 1.8 5.0 630 570 A 21 ASP H A 20 GLU HBy 1.0 1.8 5.0 631 571 A 21 ASP H A 20 GLU HGy 1.0 1.8 3.0 632 572 A 21 ASP H A 21 ASP HA 1.0 1.8 4.0 633 573 A 21 ASP H A 21 ASP HBx 1.0 1.8 4.0 634 574 A 21 ASP H A 21 ASP HBy 1.0 1.8 3.0 635 575 A 22 VAL HB A 21 ASP H 1.0 1.8 5.0 636 576 A 21 ASP H A 23 VAL H 1.0 1.8 5.0 637 577 A 19 ILE HA A 22 VAL H 1.0 1.8 4.0 638 578 A 19 ILE HG1y A 22 VAL H 1.0 1.8 6.0 639 579 A 20 GLU H A 22 VAL H 1.0 1.8 5.0 640 580 A 21 ASP HA A 22 VAL H 1.0 1.8 4.0 641 581 A 21 ASP HBx A 22 VAL H 1.0 1.8 4.0 642 582 A 21 ASP HBy A 22 VAL H 1.0 1.8 4.0 643 583 A 22 VAL HA A 22 VAL H 1.0 1.8 4.0 644 584 A 22 VAL HB A 22 VAL H 1.0 1.8 3.0 645 585 A 22 VAL HG2% A 22 VAL H 1.0 1.8 4.0 646 586 A 23 VAL HGy% A 22 VAL H 1.0 1.8 6.0 647 587 A 20 GLU HA A 23 VAL H 1.0 1.8 4.0 648 588 A 21 ASP HA A 23 VAL H 1.0 1.8 5.0 649 589 A 22 VAL HA A 23 VAL H 1.0 1.8 4.0 650 590 A 22 VAL HB A 23 VAL H 1.0 1.8 3.0 651 591 A 23 VAL HA A 23 VAL H 1.0 1.8 4.0 652 592 A 23 VAL HB A 23 VAL H 1.0 1.8 3.0 653 593 A 23 VAL HGx% A 23 VAL H 1.0 1.8 5.0 654 594 A 23 VAL HGy% A 23 VAL H 1.0 1.8 4.0 655 595 A 23 VAL H A 48 TRP HBx 1.0 1.8 6.0 656 595 A 48 TRP HBy A 23 VAL H 1.0 1.8 6.0 657 596 A 19 ILE HA A 23 VAL H 1.0 1.8 5.0 658 597 A 23 VAL H A 22 VAL H 1.0 1.8 3.0 659 598 A 23 VAL HB A 24 ASP H 1.0 1.8 3.0 660 599 A 23 VAL HGx% A 24 ASP H 1.0 1.8 5.0 661 600 A 23 VAL HGy% A 24 ASP H 1.0 1.8 5.0 662 601 A 24 ASP H A 25 GLY H 1.0 1.8 3.0 663 602 A 21 ASP HA A 24 ASP H 1.0 1.8 4.0 664 603 A 23 VAL H A 25 GLY H 1.0 1.8 5.0 665 604 A 25 GLY HAx A 25 GLY H 1.0 1.8 3.0 666 605 A 25 GLY HAy A 25 GLY H 1.0 1.8 4.0 667 606 A 27 LYS HEy A 25 GLY H 1.0 1.8 5.0 668 607 A 25 GLY H A 27 LYS HGx 1.0 1.8 4.0 669 608 A 27 LYS HGy A 25 GLY H 1.0 1.8 5.3 670 609 A 21 ASP HA A 25 GLY H 1.0 1.8 4.0 671 610 A 23 VAL HA A 26 ARG H 1.0 1.8 4.0 672 611 A 23 VAL H A 26 ARG H 1.0 1.8 5.0 673 612 A 25 GLY HAx A 26 ARG H 1.0 1.8 4.0 674 613 A 25 GLY HAy A 26 ARG H 1.0 1.8 4.0 675 614 A 26 ARG HA A 26 ARG H 1.0 1.8 3.0 676 615 A 26 ARG H A 26 ARG HBx 1.0 1.8 4.3 677 616 A 26 ARG H A 26 ARG HBy 1.0 1.8 4.0 678 617 A 26 ARG H A 26 ARG HGy 1.0 1.8 4.0 679 618 A 26 ARG H A 27 LYS H 1.0 1.8 4.0 680 619 A 22 VAL HA A 27 LYS H 1.0 1.8 4.0 681 620 A 27 LYS H A 22 VAL HG1% 1.0 1.8 5.0 682 621 A 26 ARG HA A 27 LYS H 1.0 1.8 3.0 683 622 A 27 LYS HA A 27 LYS H 1.0 1.8 4.0 684 623 A 27 LYS HEy A 27 LYS H 1.0 1.8 5.0 685 624 A 27 LYS HGx A 27 LYS H 1.0 1.8 3.0 686 625 A 27 LYS HGy A 27 LYS H 1.0 1.8 4.0 687 626 A 29 ILE HG2% A 27 LYS H 1.0 1.8 6.0 688 627 A 48 TRP HD1 A 27 LYS H 1.0 1.8 5.0 689 628 A 27 LYS H A 48 TRP HE1 1.0 1.8 4.0 690 629 A 22 VAL HG1% A 29 ILE H 1.0 1.8 5.0 691 630 A 22 VAL HG2% A 29 ILE H 1.0 1.8 6.0 692 631 A 28 PRO HA A 29 ILE H 1.0 1.8 3.0 693 632 A 29 ILE HA A 29 ILE H 1.0 1.8 4.0 694 633 A 29 ILE H A 29 ILE HB 1.0 1.8 4.0 695 634 A 29 ILE HG2% A 29 ILE H 1.0 1.8 4.0 696 635 A 30 HIS H A 29 ILE H 1.0 1.8 5.0 697 636 A 29 ILE H A 45 VAL H 1.0 1.8 5.0 698 637 A 48 TRP HE1 A 29 ILE H 1.0 1.8 4.0 699 638 A 29 ILE H A 48 TRP HZ2 1.0 1.8 5.0 700 639 A 30 HIS H A 29 ILE HA 1.0 1.8 3.0 701 640 A 30 HIS H A 29 ILE HB 1.0 1.8 3.0 702 641 A 30 HIS H A 29 ILE HG1y 1.0 1.8 5.0 703 641 A 29 ILE HG1x A 30 HIS H 1.0 1.8 5.0 704 642 A 29 ILE HG2% A 30 HIS H 1.0 1.8 5.0 705 643 A 30 HIS HA A 30 HIS H 1.0 1.8 4.0 706 644 A 30 HIS HBx A 30 HIS H 1.0 1.8 4.0 707 645 A 30 HIS HBy A 30 HIS H 1.0 1.8 5.0 708 646 A 13 THR HG2% A 30 HIS H 1.0 1.8 6.0 709 647 A 30 HIS H A 45 VAL H 1.0 1.8 6.0 710 648 A 30 HIS HA A 31 VAL H 1.0 1.8 3.0 711 649 A 30 HIS HBx A 31 VAL H 1.0 1.8 5.0 712 650 A 30 HIS HBy A 31 VAL H 1.0 1.8 4.0 713 651 A 30 HIS H A 31 VAL H 1.0 1.8 5.0 714 652 A 31 VAL HA A 31 VAL H 1.0 1.8 4.0 715 653 A 31 VAL H A 32 VAL H 1.0 1.8 5.0 716 654 A 42 ALA HA A 31 VAL H 1.0 1.8 5.0 717 655 A 42 ALA HB% A 31 VAL H 1.0 1.8 6.0 718 656 A 43 ARG HBy A 31 VAL H 1.0 1.8 5.0 719 657 A 31 VAL H A 43 ARG H 1.0 1.8 3.0 720 658 A 31 VAL H A 43 ARG HGx 1.0 1.8 6.0 721 659 A 31 VAL HGx% A 31 VAL H 1.0 1.8 4.0 722 660 A 44 PRO HA A 31 VAL H 1.0 1.8 4.0 723 661 A 130 LEU HA A 32 VAL H 1.0 1.8 5.0 724 662 A 32 VAL H A 131 VAL HGx% 1.0 1.8 6.0 725 662 A 131 VAL HGy% A 32 VAL H 1.0 1.8 6.0 726 663 A 31 VAL HA A 32 VAL H 1.0 1.8 3.0 727 664 A 31 VAL HB A 32 VAL H 1.0 1.8 3.0 728 665 A 32 VAL HA A 32 VAL H 1.0 1.8 4.0 729 666 A 32 VAL H A 32 VAL HB 1.0 1.8 3.0 730 667 A 32 VAL HGx% A 32 VAL H 1.0 1.8 5.0 731 668 A 32 VAL H A 33 ALA H 1.0 1.8 5.0 732 669 A 32 VAL HA A 33 ALA H 1.0 1.8 3.0 733 670 A 32 VAL HB A 33 ALA H 1.0 1.8 5.0 734 671 A 32 VAL HGy% A 33 ALA H 1.0 1.8 6.0 735 672 A 33 ALA HA A 33 ALA H 1.0 1.8 4.0 736 673 A 33 ALA HB% A 33 ALA H 1.0 1.8 4.0 737 674 A 33 ALA H A 34 ALA H 1.0 1.8 5.0 738 675 A 41 HIS HBy A 33 ALA H 1.0 1.8 6.0 739 676 A 42 ALA HA A 33 ALA H 1.0 1.8 4.0 740 677 A 43 ARG HA A 33 ALA H 1.0 1.8 6.0 741 678 A 40 LEU HDy% A 33 ALA H 1.0 1.8 6.0 742 679 A 129 THR HG2% A 34 ALA H 1.0 1.8 5.0 743 680 A 33 ALA HA A 34 ALA H 1.0 1.8 3.0 744 681 A 33 ALA HB% A 34 ALA H 1.0 1.8 4.0 745 682 A 34 ALA HA A 34 ALA H 1.0 1.8 4.0 746 683 A 34 ALA HB% A 34 ALA H 1.0 1.8 4.0 747 684 A 81 TRP HH2 A 34 ALA H 1.0 1.8 6.0 748 685 A 136 VAL HG2% A 34 ALA H 1.0 1.8 6.3 749 686 A 130 LEU HA A 34 ALA H 1.0 1.8 5.0 750 687 A 34 ALA HA A 35 ALA H 1.0 1.8 3.0 751 688 A 34 ALA HB% A 35 ALA H 1.0 1.8 4.0 752 689 A 35 ALA HA A 35 ALA H 1.0 1.8 4.0 753 690 A 35 ALA HB% A 35 ALA H 1.0 1.8 3.0 754 691 A 35 ALA H A 38 GLY H 1.0 1.8 5.0 755 692 A 39 THR HB A 35 ALA H 1.0 1.8 6.0 756 693 A 35 ALA H A 39 THR H 1.0 1.8 5.0 757 694 A 40 LEU HDy% A 35 ALA H 1.0 1.8 6.0 758 695 A 127 LEU HDx% A 35 ALA H 1.0 1.8 5.0 759 696 A 35 ALA HA A 36 LYS H 1.0 1.8 3.0 760 697 A 35 ALA HB% A 36 LYS H 1.0 1.8 4.0 761 698 A 36 LYS HA A 36 LYS H 1.0 1.8 4.0 762 699 A 36 LYS H A 36 LYS HBx 1.0 1.8 4.0 763 699 A 36 LYS H A 36 LYS HBy 1.0 1.8 4.0 764 700 A 36 LYS H A 37 ASP H 1.0 1.8 3.0 765 701 A 127 LEU HDx% A 36 LYS H 1.0 1.8 6.3 766 702 A 36 LYS HA A 37 ASP H 1.0 1.8 4.0 767 703 A 37 ASP H A 36 LYS HBx 1.0 1.8 5.0 768 704 A 36 LYS HBy A 37 ASP H 1.0 1.8 3.0 769 705 A 37 ASP HA A 37 ASP H 1.0 1.8 4.0 770 706 A 37 ASP H A 37 ASP HBx 1.0 1.8 3.0 771 707 A 37 ASP H A 37 ASP HBy 1.0 1.8 4.0 772 708 A 38 GLY H A 37 ASP H 1.0 1.8 3.0 773 709 A 35 ALA HB% A 38 GLY H 1.0 1.8 5.0 774 710 A 37 ASP HA A 38 GLY H 1.0 1.8 4.0 775 711 A 38 GLY HAx A 38 GLY H 1.0 1.8 4.0 776 712 A 38 GLY H A 38 GLY HAy 1.0 1.8 3.0 777 713 A 35 ALA HB% A 39 THR H 1.0 1.8 5.0 778 714 A 38 GLY HAx A 39 THR H 1.0 1.8 4.0 779 715 A 39 THR H A 38 GLY HAy 1.0 1.8 5.0 780 716 A 38 GLY H A 39 THR H 1.0 1.8 4.0 781 717 A 39 THR H A 39 THR HA 1.0 1.8 4.0 782 718 A 39 THR HA A 40 LEU H 1.0 1.8 3.0 783 719 A 39 THR HB A 40 LEU H 1.0 1.8 4.0 784 720 A 40 LEU HA A 40 LEU H 1.0 1.8 4.0 785 721 A 40 LEU HBx A 40 LEU H 1.0 1.8 4.0 786 722 A 40 LEU H A 40 LEU HBy 1.0 1.8 3.0 787 723 A 40 LEU H A 41 HIS H 1.0 1.8 5.0 788 724 A 40 LEU HG A 40 LEU H 1.0 1.8 3.0 789 725 A 40 LEU HDy% A 40 LEU H 1.0 1.8 5.0 790 726 A 40 LEU HDx% A 40 LEU H 1.0 1.8 5.0 791 727 A 39 THR HG2% A 40 LEU H 1.0 1.8 5.0 792 728 A 34 ALA HA A 40 LEU H 1.0 1.8 5.0 793 729 A 32 VAL HA A 41 HIS H 1.0 1.8 6.0 794 730 A 34 ALA HA A 41 HIS H 1.0 1.8 5.0 795 731 A 40 LEU HA A 41 HIS H 1.0 1.8 3.0 796 732 A 41 HIS HA A 41 HIS H 1.0 1.8 4.0 797 733 A 41 HIS HBx A 41 HIS H 1.0 1.8 5.0 798 734 A 41 HIS HBy A 41 HIS H 1.0 1.8 4.0 799 735 A 33 ALA H A 41 HIS H 1.0 1.8 3.0 800 736 A 33 ALA HB% A 41 HIS H 1.0 1.8 6.0 801 737 A 40 LEU HDy% A 41 HIS H 1.0 1.8 5.0 802 738 A 40 LEU HDx% A 41 HIS H 1.0 1.8 5.0 803 739 A 32 VAL HGy% A 41 HIS H 1.0 1.8 5.0 804 740 A 40 LEU HBx A 41 HIS H 1.0 1.8 5.0 805 741 A 40 LEU HBy A 41 HIS H 1.0 1.8 4.0 806 742 A 41 HIS HD2 A 41 HIS H 1.0 1.8 5.0 807 743 A 41 HIS HA A 42 ALA H 1.0 1.8 3.0 808 744 A 41 HIS H A 42 ALA H 1.0 1.8 5.0 809 745 A 41 HIS HBx A 42 ALA H 1.0 1.8 4.0 810 746 A 41 HIS HBy A 42 ALA H 1.0 1.8 5.0 811 747 A 42 ALA HA A 42 ALA H 1.0 1.8 4.0 812 748 A 42 ALA HB% A 42 ALA H 1.0 1.8 3.0 813 749 A 43 ARG HGx A 42 ALA H 1.0 1.8 5.0 814 750 A 43 ARG H A 42 ALA H 1.0 1.8 5.0 815 751 A 31 VAL HGx% A 43 ARG H 1.0 1.8 6.0 816 752 A 30 HIS HBy A 43 ARG H 1.0 1.8 5.0 817 753 A 43 ARG H A 43 ARG HDy 1.0 1.8 6.0 818 754 A 11 PRO HDx A 43 ARG H 1.0 1.8 6.0 819 755 A 33 ALA HB% A 43 ARG H 1.0 1.8 5.0 820 756 A 32 VAL HA A 43 ARG H 1.0 1.8 4.0 821 757 A 42 ALA HA A 43 ARG H 1.0 1.8 3.0 822 758 A 42 ALA HB% A 43 ARG H 1.0 1.8 4.0 823 759 A 43 ARG HA A 43 ARG H 1.0 1.8 4.0 824 760 A 43 ARG HBy A 43 ARG H 1.0 1.8 3.0 825 761 A 43 ARG H A 43 ARG HBx 1.0 1.8 4.0 826 762 A 28 PRO HA A 45 VAL H 1.0 1.8 5.0 827 763 A 45 VAL HA A 45 VAL H 1.0 1.8 4.0 828 764 A 44 PRO HA A 45 VAL H 1.0 1.8 3.0 829 765 A 45 VAL H A 44 PRO HBy 1.0 1.8 4.0 830 766 A 45 VAL H A 44 PRO HBx 1.0 1.8 4.0 831 767 A 45 VAL HB A 45 VAL H 1.0 1.8 3.0 832 768 A 45 VAL H A 45 VAL HGx% 1.0 1.8 5.0 833 769 A 45 VAL HGy% A 45 VAL H 1.0 1.8 4.0 834 770 A 45 VAL H A 46 VAL H 1.0 1.8 5.0 835 771 A 46 VAL HA A 45 VAL H 1.0 1.8 6.0 836 772 A 124 VAL HA A 45 VAL H 1.0 1.8 6.0 837 773 A 29 ILE HA A 45 VAL H 1.0 1.8 6.0 838 774 A 30 HIS HA A 45 VAL H 1.0 1.8 4.0 839 775 A 46 VAL H A 123 GLU HBy 1.0 1.8 5.0 840 775 A 46 VAL H A 123 GLU HBx 1.0 1.8 5.0 841 776 A 46 VAL H A 125 GLU HBx 1.0 1.8 6.0 842 776 A 46 VAL H A 125 GLU HBy 1.0 1.8 6.0 843 777 A 45 VAL HA A 46 VAL H 1.0 1.8 3.0 844 778 A 45 VAL HB A 46 VAL H 1.0 1.8 5.0 845 779 A 45 VAL HGy% A 46 VAL H 1.0 1.8 6.0 846 780 A 46 VAL HGx% A 46 VAL H 1.0 1.8 4.0 847 781 A 46 VAL HGy% A 46 VAL H 1.0 1.8 3.0 848 782 A 46 VAL HA A 46 VAL H 1.0 1.8 4.0 849 783 A 46 VAL H A 47 SER H 1.0 1.8 3.0 850 784 A 47 SER HA A 46 VAL H 1.0 1.8 6.0 851 785 A 46 VAL H A 47 SER HBx 1.0 1.8 5.0 852 785 A 46 VAL H A 47 SER HBy 1.0 1.8 5.0 853 786 A 123 GLU HA A 46 VAL H 1.0 1.8 6.0 854 787 A 124 VAL HA A 46 VAL H 1.0 1.8 4.0 855 788 A 123 GLU HBx A 47 SER H 1.0 1.8 3.0 856 789 A 47 SER H A 123 GLU HGx 1.0 1.8 6.0 857 790 A 47 SER H A 123 GLU H 1.0 1.8 3.0 858 791 A 46 VAL HA A 47 SER H 1.0 1.8 4.0 859 792 A 46 VAL HGx% A 47 SER H 1.0 1.8 5.3 860 793 A 47 SER HA A 47 SER H 1.0 1.8 4.0 861 794 A 47 SER H A 47 SER HBx 1.0 1.8 4.0 862 794 A 47 SER H A 47 SER HBy 1.0 1.8 4.0 863 795 A 47 SER H A 48 TRP H 1.0 1.8 5.0 864 796 A 45 VAL HA A 47 SER H 1.0 1.8 4.0 865 797 A 46 VAL HGy% A 47 SER H 1.0 1.8 4.0 866 798 A 47 SER H A 123 GLU HBy 1.0 1.8 5.0 867 799 A 26 ARG HA A 48 TRP HE1 1.0 1.8 4.0 868 800 A 48 TRP HE1 A 26 ARG HGx 1.0 1.8 6.3 869 801 A 28 PRO HA A 48 TRP HE1 1.0 1.8 5.0 870 802 A 48 TRP HA A 48 TRP HE1 1.0 1.8 5.3 871 803 A 48 TRP HD1 A 48 TRP HE1 1.0 1.8 3.0 872 804 A 47 SER HA A 48 TRP H 1.0 1.8 3.0 873 805 A 48 TRP H A 47 SER HBx 1.0 1.8 4.0 874 805 A 47 SER HBy A 48 TRP H 1.0 1.8 4.0 875 806 A 48 TRP HA A 48 TRP H 1.0 1.8 4.0 876 807 A 48 TRP H A 48 TRP HBx 1.0 1.8 4.0 877 807 A 48 TRP HBy A 48 TRP H 1.0 1.8 4.0 878 808 A 48 TRP HH2 A 48 TRP H 1.0 1.8 6.0 879 809 A 123 GLU H A 48 TRP H 1.0 1.8 6.0 880 810 A 49 PHE H A 121 ASP H 1.0 1.8 4.0 881 811 A 122 LEU HA A 49 PHE H 1.0 1.8 4.0 882 812 A 49 PHE H A 122 LEU HDy% 1.0 1.8 4.0 883 813 A 23 VAL HGx% A 49 PHE H 1.0 1.8 5.0 884 814 A 48 TRP HA A 49 PHE H 1.0 1.8 3.0 885 815 A 49 PHE H A 48 TRP HBx 1.0 1.8 4.0 886 815 A 48 TRP HBy A 49 PHE H 1.0 1.8 4.0 887 816 A 49 PHE HA A 49 PHE H 1.0 1.8 4.0 888 817 A 49 PHE H A 49 PHE HBx 1.0 1.8 4.0 889 818 A 49 PHE H A 49 PHE HBy 1.0 1.8 3.0 890 819 A 49 PHE HD% A 49 PHE H 1.0 1.8 4.0 891 820 A 49 PHE HA A 50 ASP H 1.0 1.8 3.0 892 821 A 49 PHE HBy A 50 ASP H 1.0 1.8 5.0 893 822 A 50 ASP H A 50 ASP HBx 1.0 1.8 3.0 894 823 A 49 PHE HD% A 50 ASP H 1.0 1.8 5.0 895 824 A 50 ASP HA A 50 ASP H 1.0 1.8 4.0 896 825 A 49 PHE H A 50 ASP H 1.0 1.8 5.0 897 826 A 50 ASP H A 50 ASP HBy 1.0 1.8 4.0 898 827 A 120 PHE HA A 51 GLN H 1.0 1.8 3.0 899 828 A 119 THR HA A 51 GLN H 1.0 1.8 6.0 900 829 A 50 ASP HA A 51 GLN H 1.0 1.8 3.0 901 830 A 49 PHE HBy A 51 GLN H 1.0 1.8 6.0 902 831 A 51 GLN H A 51 GLN HA 1.0 1.8 4.0 903 832 A 51 GLN H A 51 GLN HBx 1.0 1.8 4.0 904 832 A 51 GLN H A 51 GLN HBy 1.0 1.8 4.0 905 833 A 51 GLN HGx A 51 GLN H 1.0 1.8 4.0 906 834 A 51 GLN H A 51 GLN HGy 1.0 1.8 3.0 907 835 A 51 GLN H A 52 GLY HAy 1.0 1.8 6.0 908 836 A 49 PHE HBx A 51 GLN H 1.0 1.8 5.0 909 837 A 50 ASP HBx A 51 GLN H 1.0 1.8 5.0 910 838 A 50 ASP HBy A 51 GLN H 1.0 1.8 5.0 911 839 A 51 GLN H A 120 PHE HD2 1.0 1.8 5.0 912 840 A 52 GLY H A 119 THR H 1.0 1.8 4.0 913 841 A 118 ARG HA A 52 GLY H 1.0 1.8 5.0 914 842 A 52 GLY H A 118 ARG HDx 1.0 1.8 6.0 915 842 A 52 GLY H A 118 ARG HDy 1.0 1.8 6.0 916 843 A 51 GLN HA A 52 GLY H 1.0 1.8 4.0 917 844 A 51 GLN HGx A 52 GLY H 1.0 1.8 6.0 918 845 A 52 GLY H A 52 GLY HAx 1.0 1.8 4.0 919 846 A 52 GLY HAy A 52 GLY H 1.0 1.8 3.0 920 847 A 120 PHE HA A 52 GLY H 1.0 1.8 6.0 921 848 A 50 ASP HA A 52 GLY H 1.0 1.8 4.0 922 849 A 51 GLN H A 52 GLY H 1.0 1.8 3.0 923 850 A 52 GLY HAx A 53 THR H 1.0 1.8 3.0 924 851 A 52 GLY HAy A 53 THR H 1.0 1.8 3.0 925 852 A 52 GLY H A 53 THR H 1.0 1.8 5.0 926 853 A 53 THR HA A 53 THR H 1.0 1.8 4.0 927 854 A 53 THR H A 53 THR HB 1.0 1.8 3.0 928 855 A 53 THR HG2% A 53 THR H 1.0 1.8 5.0 929 856 A 53 THR H A 54 ARG H 1.0 1.8 5.0 930 857 A 53 THR H A 54 ARG HGx 1.0 1.8 5.0 931 857 A 54 ARG HGy A 53 THR H 1.0 1.8 5.0 932 858 A 118 ARG HGx A 53 THR H 1.0 1.8 6.3 933 859 A 119 THR H A 54 ARG H 1.0 1.8 5.0 934 860 A 53 THR HA A 54 ARG H 1.0 1.8 3.0 935 861 A 53 THR HB A 54 ARG H 1.0 1.8 5.0 936 862 A 54 ARG H A 119 THR HG2% 1.0 1.8 4.0 937 863 A 54 ARG HA A 54 ARG H 1.0 1.8 4.0 938 864 A 54 ARG H A 54 ARG HBx 1.0 1.8 5.0 939 865 A 54 ARG H A 54 ARG HBy 1.0 1.8 4.0 940 866 A 54 ARG H A 54 ARG HGx 1.0 1.8 5.0 941 867 A 116 ARG HA A 54 ARG H 1.0 1.8 5.0 942 868 A 117 ALA H A 54 ARG H 1.0 1.8 3.0 943 869 A 117 ALA HA A 54 ARG H 1.0 1.8 6.0 944 870 A 118 ARG HA A 54 ARG H 1.0 1.8 4.0 945 871 A 116 ARG HDx A 55 ASP H 1.0 1.8 6.0 946 872 A 116 ARG HA A 55 ASP H 1.0 1.8 6.0 947 873 A 54 ARG HA A 55 ASP H 1.0 1.8 3.0 948 874 A 54 ARG HBx A 55 ASP H 1.0 1.8 3.0 949 875 A 54 ARG HBy A 55 ASP H 1.0 1.8 4.0 950 876 A 54 ARG H A 55 ASP H 1.0 1.8 5.0 951 877 A 55 ASP HA A 55 ASP H 1.0 1.8 4.0 952 878 A 55 ASP H A 55 ASP HBx 1.0 1.8 4.0 953 879 A 55 ASP H A 55 ASP HBy 1.0 1.8 3.0 954 880 A 56 VAL H A 55 ASP H 1.0 1.8 5.0 955 881 A 55 ASP H A 54 ARG HGx 1.0 1.8 5.0 956 881 A 54 ARG HGy A 55 ASP H 1.0 1.8 5.0 957 882 A 70 THR HG2% A 55 ASP H 1.0 1.8 5.3 958 883 A 71 PRO HDx A 55 ASP H 1.0 1.8 6.0 959 884 A 114 THR HA A 56 VAL H 1.0 1.8 4.0 960 885 A 56 VAL H A 115 ARG H 1.0 1.8 3.0 961 886 A 56 VAL H A 117 ALA H 1.0 1.8 5.0 962 887 A 56 VAL H A 55 ASP HA 1.0 1.8 3.0 963 888 A 56 VAL H A 55 ASP HBx 1.0 1.8 4.0 964 889 A 56 VAL H A 55 ASP HBy 1.0 1.8 4.3 965 890 A 56 VAL H A 56 VAL HA 1.0 1.8 4.0 966 891 A 56 VAL H A 56 VAL HB 1.0 1.8 5.0 967 892 A 56 VAL H A 56 VAL HGy% 1.0 1.8 3.0 968 893 A 56 VAL H A 56 VAL HGx% 1.0 1.8 4.0 969 894 A 56 VAL H A 57 ILE HA 1.0 1.8 5.0 970 895 A 56 VAL H A 70 THR HA 1.0 1.8 6.0 971 896 A 56 VAL H A 115 ARG HA 1.0 1.8 5.0 972 897 A 116 ARG HA A 56 VAL H 1.0 1.8 5.0 973 898 A 56 VAL HGy% A 57 ILE H 1.0 1.8 5.0 974 899 A 56 VAL HA A 57 ILE H 1.0 1.8 3.0 975 900 A 57 ILE HG1y A 57 ILE H 1.0 1.8 13.8 976 901 A 114 THR HG2% A 57 ILE H 1.0 1.8 5.3 977 902 A 57 ILE HA A 57 ILE H 1.0 1.8 4.0 978 903 A 56 VAL H A 57 ILE H 1.0 1.8 5.0 979 904 A 70 THR HA A 57 ILE H 1.0 1.8 4.0 980 905 A 70 THR HG2% A 57 ILE H 1.0 1.8 6.3 981 906 A 57 ILE H A 71 PRO HBy 1.0 1.8 6.5 982 907 A 68 TRP HA A 57 ILE H 1.0 1.8 5.0 983 908 A 69 ALA HA A 57 ILE H 1.0 1.8 6.0 984 909 A 58 GLY H A 112 LEU HBy 1.0 1.8 4.0 985 910 A 112 LEU HBx A 58 GLY H 1.0 1.8 3.0 986 911 A 58 GLY H A 112 LEU H 1.0 1.8 4.0 987 912 A 58 GLY H A 57 ILE HA 1.0 1.8 3.0 988 913 A 58 GLY H A 57 ILE HB 1.0 1.8 3.0 989 914 A 58 GLY H A 57 ILE HD1% 1.0 1.8 6.0 990 915 A 58 GLY H A 58 GLY HAx 1.0 1.8 3.0 991 916 A 58 GLY H A 58 GLY HAy 1.0 1.8 4.0 992 917 A 58 GLY H A 59 LEU H 1.0 1.8 5.0 993 918 A 58 GLY H A 68 TRP HA 1.0 1.8 5.0 994 919 A 58 GLY H A 68 TRP HZ3 1.0 1.8 4.0 995 920 A 114 THR HA A 58 GLY H 1.0 1.8 5.0 996 921 A 58 GLY HAx A 59 LEU H 1.0 1.8 3.3 997 922 A 58 GLY HAy A 59 LEU H 1.0 1.8 3.0 998 923 A 59 LEU HA A 59 LEU H 1.0 1.8 4.0 999 924 A 59 LEU H A 59 LEU HBx 1.0 1.8 4.0 1000 924 A 59 LEU H A 59 LEU HBy 1.0 1.8 4.0 1001 925 A 59 LEU H A 59 LEU HG 1.0 1.8 3.0 1002 926 A 66 ILE HG1y A 59 LEU H 1.0 1.8 5.0 1003 927 A 59 LEU H A 67 LEU H 1.0 1.8 3.0 1004 928 A 59 LEU H A 67 LEU HBx 1.0 1.8 4.0 1005 929 A 68 TRP HA A 59 LEU H 1.0 1.8 4.0 1006 930 A 59 LEU H A 69 ALA H 1.0 1.8 5.0 1007 931 A 108 ILE HG2% A 60 ARG H 1.0 1.8 5.0 1008 932 A 60 ARG H A 110 GLU H 1.0 1.8 4.0 1009 933 A 60 ARG H A 110 GLU HBx 1.0 1.8 5.0 1010 934 A 111 VAL HA A 60 ARG H 1.0 1.8 4.0 1011 935 A 112 LEU HDx% A 60 ARG H 1.0 1.8 6.3 1012 936 A 112 LEU H A 60 ARG H 1.0 1.8 5.0 1013 937 A 59 LEU HA A 60 ARG H 1.0 1.8 3.0 1014 938 A 60 ARG H A 59 LEU HBx 1.0 1.8 5.0 1015 939 A 60 ARG HA A 60 ARG H 1.0 1.8 4.0 1016 940 A 60 ARG H A 60 ARG HBx 1.0 1.8 3.0 1017 940 A 60 ARG H A 60 ARG HBy 1.0 1.8 3.0 1018 941 A 60 ARG H A 61 ILE H 1.0 1.8 5.0 1019 942 A 66 ILE HG1y A 60 ARG H 1.0 1.8 6.0 1020 943 A 61 ILE H A 109 ARG H 1.0 1.8 5.0 1021 944 A 60 ARG HA A 61 ILE H 1.0 1.8 3.0 1022 945 A 61 ILE H A 60 ARG HBx 1.0 1.8 5.0 1023 945 A 60 ARG HBy A 61 ILE H 1.0 1.8 5.0 1024 946 A 61 ILE H A 60 ARG HGx 1.0 1.8 4.0 1025 947 A 61 ILE H A 60 ARG HGy 1.0 1.8 5.0 1026 948 A 61 ILE HA A 61 ILE H 1.0 1.8 4.0 1027 949 A 61 ILE H A 61 ILE HB 1.0 1.8 3.0 1028 950 A 61 ILE HG2% A 61 ILE H 1.0 1.8 5.0 1029 951 A 61 ILE H A 61 ILE HG1y 1.0 1.8 4.0 1030 951 A 61 ILE HG1x A 61 ILE H 1.0 1.8 4.0 1031 952 A 61 ILE H A 61 ILE HD1% 1.0 1.8 5.0 1032 953 A 61 ILE H A 62 ALA H 1.0 1.8 5.0 1033 954 A 61 ILE H A 65 ALA H 1.0 1.8 5.0 1034 955 A 65 ALA HB% A 61 ILE H 1.0 1.8 5.0 1035 956 A 61 ILE H A 66 ILE HG1x 1.0 1.8 6.0 1036 956 A 66 ILE HG1y A 61 ILE H 1.0 1.8 6.0 1037 957 A 66 ILE HA A 61 ILE H 1.0 1.8 4.0 1038 958 A 67 LEU H A 61 ILE H 1.0 1.8 5.0 1039 959 A 106 SER HBx A 62 ALA H 1.0 1.8 4.0 1040 960 A 106 SER HBy A 62 ALA H 1.0 1.8 4.3 1041 961 A 62 ALA H A 107 VAL H 1.0 1.8 5.0 1042 962 A 62 ALA H A 107 VAL HB 1.0 1.8 6.0 1043 963 A 107 VAL HA A 62 ALA H 1.0 1.8 6.0 1044 964 A 109 ARG H A 62 ALA H 1.0 1.8 4.0 1045 965 A 62 ALA H A 109 ARG HGy 1.0 1.8 6.0 1046 966 A 62 ALA H A 109 ARG HDx 1.0 1.8 6.0 1047 966 A 109 ARG HDy A 62 ALA H 1.0 1.8 6.0 1048 967 A 61 ILE HA A 62 ALA H 1.0 1.8 3.0 1049 968 A 61 ILE HB A 62 ALA H 1.0 1.8 4.0 1050 969 A 61 ILE HG2% A 62 ALA H 1.0 1.8 3.0 1051 970 A 62 ALA HA A 62 ALA H 1.0 1.8 4.0 1052 971 A 62 ALA H A 62 ALA HB% 1.0 1.8 3.0 1053 972 A 108 ILE HA A 62 ALA H 1.0 1.8 4.0 1054 973 A 61 ILE HB A 64 GLY H 1.0 1.8 5.0 1055 974 A 64 GLY H A 64 GLY HAx 1.0 1.8 4.0 1056 975 A 64 GLY H A 64 GLY HAy 1.0 1.8 3.0 1057 976 A 65 ALA H A 64 GLY H 1.0 1.8 3.0 1058 977 A 60 ARG HGx A 64 GLY H 1.0 1.8 5.0 1059 978 A 60 ARG HGy A 64 GLY H 1.0 1.8 6.0 1060 979 A 65 ALA HB% A 64 GLY H 1.0 1.8 6.0 1061 980 A 64 GLY H A 63 GLY HAx 1.0 1.8 4.0 1062 981 A 64 GLY H A 63 GLY HAy 1.0 1.8 4.0 1063 982 A 62 ALA HA A 64 GLY H 1.0 1.8 4.0 1064 983 A 65 ALA H A 64 GLY HAx 1.0 1.8 4.0 1065 984 A 65 ALA H A 64 GLY HAy 1.0 1.8 4.0 1066 985 A 65 ALA H A 65 ALA HA 1.0 1.8 4.0 1067 986 A 65 ALA HB% A 65 ALA H 1.0 1.8 3.0 1068 987 A 61 ILE HB A 65 ALA H 1.0 1.8 4.0 1069 988 A 65 ALA HA A 66 ILE H 1.0 1.8 3.0 1070 989 A 66 ILE HA A 66 ILE H 1.0 1.8 4.0 1071 990 A 66 ILE H A 66 ILE HB 1.0 1.8 4.0 1072 991 A 66 ILE H A 66 ILE HG2% 1.0 1.8 5.0 1073 992 A 66 ILE H A 66 ILE HG1x 1.0 1.8 5.0 1074 992 A 66 ILE HG1y A 66 ILE H 1.0 1.8 5.0 1075 993 A 67 LEU H A 59 LEU HBx 1.0 1.8 4.0 1076 993 A 59 LEU HBy A 67 LEU H 1.0 1.8 4.0 1077 994 A 66 ILE HA A 67 LEU H 1.0 1.8 3.0 1078 995 A 67 LEU H A 66 ILE HG2% 1.0 1.8 6.0 1079 996 A 67 LEU H A 66 ILE HG1x 1.0 1.8 5.0 1080 996 A 66 ILE HG1y A 67 LEU H 1.0 1.8 5.0 1081 997 A 67 LEU H A 66 ILE H 1.0 1.8 5.0 1082 998 A 67 LEU HA A 67 LEU H 1.0 1.8 4.0 1083 999 A 67 LEU H A 67 LEU HBx 1.0 1.8 3.0 1084 1000 A 67 LEU H A 67 LEU HBy 1.0 1.8 4.0 1085 1001 A 68 TRP H A 67 LEU H 1.0 1.8 5.0 1086 1002 A 68 TRP H A 133 GLU HGy 1.0 1.8 5.0 1087 1003 A 68 TRP H A 3 ALA H 1.0 1.8 5.0 1088 1004 A 67 LEU HA A 68 TRP H 1.0 1.8 3.0 1089 1005 A 68 TRP H A 67 LEU HBx 1.0 1.8 5.0 1090 1006 A 68 TRP H A 67 LEU HBy 1.0 1.8 5.0 1091 1007 A 68 TRP H A 67 LEU HG 1.0 1.8 4.0 1092 1008 A 68 TRP HD1 A 68 TRP H 1.0 1.8 4.0 1093 1009 A 68 TRP H A 68 TRP HBx 1.0 1.8 4.0 1094 1010 A 68 TRP H A 69 ALA H 1.0 1.8 5.0 1095 1011 A 56 VAL HA A 69 ALA H 1.0 1.8 5.0 1096 1012 A 56 VAL HB A 69 ALA H 1.0 1.8 4.0 1097 1013 A 69 ALA H A 56 VAL HGx% 1.0 1.8 6.0 1098 1014 A 68 TRP HA A 69 ALA H 1.0 1.8 3.0 1099 1015 A 69 ALA HA A 69 ALA H 1.0 1.8 4.0 1100 1016 A 69 ALA HB% A 69 ALA H 1.0 1.8 4.0 1101 1017 A 3 ALA H A 69 ALA H 1.0 1.8 6.0 1102 1018 A 3 ALA HB% A 69 ALA H 1.0 1.8 6.0 1103 1019 A 57 ILE HA A 69 ALA H 1.0 1.8 5.3 1104 1020 A 57 ILE HG1y A 69 ALA H 1.0 1.8 4.0 1105 1021 A 58 GLY HAy A 69 ALA H 1.0 1.8 4.0 1106 1022 A 58 GLY HAx A 69 ALA H 1.0 1.8 5.5 1107 1023 A 70 THR H A 73 HIS HBy 1.0 1.8 5.0 1108 1024 A 2 LEU HA A 70 THR H 1.0 1.8 4.0 1109 1025 A 2 LEU HD2% A 70 THR H 1.0 1.8 6.0 1110 1026 A 69 ALA HA A 70 THR H 1.0 1.8 3.0 1111 1027 A 69 ALA HB% A 70 THR H 1.0 1.8 4.0 1112 1028 A 70 THR HA A 70 THR H 1.0 1.8 3.0 1113 1029 A 70 THR H A 70 THR HB 1.0 1.8 4.0 1114 1030 A 70 THR HG2% A 70 THR H 1.0 1.8 4.0 1115 1031 A 70 THR H A 73 HIS HBx 1.0 1.8 4.0 1116 1032 A 70 THR H A 73 HIS H 1.0 1.8 5.0 1117 1033 A 70 THR H A 71 PRO HDy 1.0 1.8 6.0 1118 1033 A 71 PRO HDx A 70 THR H 1.0 1.8 6.0 1119 1034 A 56 VAL HA A 70 THR H 1.0 1.8 5.0 1120 1035 A 70 THR HB A 72 ASP H 1.0 1.8 3.0 1121 1036 A 71 PRO HBy A 72 ASP H 1.0 1.8 4.0 1122 1037 A 72 ASP H A 72 ASP HA 1.0 1.8 4.0 1123 1038 A 72 ASP H A 72 ASP HBx 1.0 1.8 4.0 1124 1039 A 72 ASP H A 72 ASP HBy 1.0 1.8 4.0 1125 1040 A 72 ASP H A 85 GLY H 1.0 1.8 5.0 1126 1041 A 71 PRO HA A 72 ASP H 1.0 1.8 4.0 1127 1042 A 72 ASP H A 71 PRO HDy 1.0 1.8 4.0 1128 1042 A 71 PRO HDx A 72 ASP H 1.0 1.8 4.0 1129 1043 A 72 ASP H A 71 PRO HGx 1.0 1.8 4.0 1130 1043 A 71 PRO HGy A 72 ASP H 1.0 1.8 4.0 1131 1044 A 73 HIS HBy A 73 HIS H 1.0 1.8 4.0 1132 1045 A 69 ALA HB% A 73 HIS H 1.0 1.8 6.0 1133 1046 A 71 PRO HA A 73 HIS H 1.0 1.8 5.0 1134 1047 A 73 HIS H A 72 ASP HA 1.0 1.8 4.0 1135 1048 A 73 HIS H A 72 ASP HBy 1.0 1.8 6.0 1136 1049 A 73 HIS H A 72 ASP H 1.0 1.8 4.0 1137 1050 A 73 HIS HA A 73 HIS H 1.0 1.8 4.0 1138 1051 A 73 HIS HBx A 73 HIS H 1.0 1.8 4.0 1139 1052 A 73 HIS H A 83 ALA HB% 1.0 1.8 6.0 1140 1053 A 73 HIS H A 84 ALA H 1.0 1.8 5.0 1141 1054 A 84 ALA HB% A 73 HIS H 1.0 1.8 5.0 1142 1055 A 138 HIS HBx A 74 LYS H 1.0 1.8 5.0 1143 1056 A 74 LYS H A 138 HIS HBy 1.0 1.8 5.0 1144 1057 A 73 HIS HA A 74 LYS H 1.0 1.8 3.0 1145 1058 A 73 HIS HBx A 74 LYS H 1.0 1.8 6.0 1146 1059 A 73 HIS HD2 A 74 LYS H 1.0 1.8 4.0 1147 1060 A 74 LYS H A 74 LYS HA 1.0 1.8 4.0 1148 1061 A 74 LYS H A 75 VAL H 1.0 1.8 5.0 1149 1062 A 74 LYS H A 74 LYS HDx 1.0 1.8 4.3 1150 1063 A 74 LYS HBx A 74 LYS H 1.0 1.8 4.0 1151 1064 A 83 ALA HA A 74 LYS H 1.0 1.8 5.0 1152 1065 A 74 LYS HA A 75 VAL H 1.0 1.8 3.0 1153 1066 A 74 LYS HBx A 75 VAL H 1.0 1.8 4.0 1154 1067 A 75 VAL H A 74 LYS HDx 1.0 1.8 6.0 1155 1068 A 75 VAL HA A 75 VAL H 1.0 1.8 4.0 1156 1069 A 75 VAL H A 75 VAL HB 1.0 1.8 3.0 1157 1070 A 75 VAL HGx% A 75 VAL H 1.0 1.8 5.0 1158 1071 A 75 VAL H A 76 LEU H 1.0 1.8 5.0 1159 1072 A 75 VAL H A 81 TRP HZ3 1.0 1.8 5.0 1160 1073 A 83 ALA HA A 75 VAL H 1.0 1.8 4.0 1161 1074 A 75 VAL H A 87 LEU HD21 1.0 1.8 6.3 1162 1075 A 137 VAL HA A 76 LEU H 1.0 1.8 4.0 1163 1076 A 76 LEU H A 137 VAL H 1.0 1.8 6.0 1164 1077 A 75 VAL HA A 76 LEU H 1.0 1.8 3.0 1165 1078 A 75 VAL HB A 76 LEU H 1.0 1.8 4.3 1166 1079 A 75 VAL HGx% A 76 LEU H 1.0 1.8 4.0 1167 1080 A 76 LEU HA A 76 LEU H 1.0 1.8 4.0 1168 1081 A 76 LEU HBx A 76 LEU H 1.0 1.8 3.0 1169 1082 A 76 LEU HBy A 76 LEU H 1.0 1.8 3.0 1170 1083 A 76 LEU HG A 76 LEU H 1.0 1.8 5.0 1171 1084 A 76 LEU HDy% A 76 LEU H 1.0 1.8 6.0 1172 1085 A 76 LEU H A 81 TRP HZ3 1.0 1.8 4.0 1173 1086 A 94 ALA HB% A 76 LEU H 1.0 1.8 6.0 1174 1087 A 75 VAL HGx% A 77 THR H 1.0 1.8 6.0 1175 1088 A 76 LEU HA A 77 THR H 1.0 1.8 3.0 1176 1089 A 77 THR HG2% A 77 THR H 1.0 1.8 4.0 1177 1090 A 76 LEU HDx% A 77 THR H 1.0 1.8 4.0 1178 1091 A 76 LEU HDy% A 77 THR H 1.0 1.8 6.0 1179 1092 A 76 LEU H A 77 THR H 1.0 1.8 5.0 1180 1093 A 77 THR HA A 77 THR H 1.0 1.8 4.0 1181 1094 A 77 THR H A 79 TYR H 1.0 1.8 5.0 1182 1095 A 80 GLY HAx A 77 THR H 1.0 1.8 5.0 1183 1096 A 81 TRP HA A 77 THR H 1.0 1.8 4.0 1184 1097 A 77 THR H A 82 ARG H 1.0 1.8 5.0 1185 1098 A 105 TYR HD% A 78 GLU H 1.0 1.8 6.0 1186 1099 A 78 GLU H A 105 TYR HE1 1.0 1.8 4.0 1187 1100 A 77 THR HA A 78 GLU H 1.0 1.8 3.0 1188 1101 A 78 GLU H A 77 THR HB 1.0 1.8 3.0 1189 1102 A 77 THR HG2% A 78 GLU H 1.0 1.8 4.5 1190 1103 A 78 GLU H A 78 GLU HBx 1.0 1.8 3.0 1191 1104 A 78 GLU HA A 78 GLU H 1.0 1.8 4.0 1192 1105 A 78 GLU H A 78 GLU HBy 1.0 1.8 4.0 1193 1106 A 79 TYR H A 78 GLU H 1.0 1.8 3.0 1194 1107 A 78 GLU H A 80 GLY H 1.0 1.8 5.0 1195 1108 A 78 GLU H A 92 ARG H 1.0 1.8 4.0 1196 1109 A 92 ARG HBy A 78 GLU H 1.0 1.8 4.0 1197 1110 A 77 THR HG2% A 79 TYR H 1.0 1.8 5.0 1198 1111 A 77 THR HA A 79 TYR H 1.0 1.8 5.0 1199 1112 A 79 TYR H A 77 THR HB 1.0 1.8 4.0 1200 1113 A 78 GLU HA A 79 TYR H 1.0 1.8 4.0 1201 1114 A 79 TYR H A 78 GLU HBx 1.0 1.8 5.0 1202 1115 A 78 GLU HGy A 79 TYR H 1.0 1.8 4.0 1203 1116 A 79 TYR H A 79 TYR HA 1.0 1.8 4.0 1204 1117 A 79 TYR H A 79 TYR HBx 1.0 1.8 4.0 1205 1118 A 79 TYR H A 79 TYR HBy 1.0 1.8 3.0 1206 1119 A 79 TYR H A 79 TYR HD% 1.0 1.8 4.0 1207 1120 A 79 TYR H A 80 GLY H 1.0 1.8 3.0 1208 1121 A 77 THR HG2% A 80 GLY H 1.0 1.8 6.0 1209 1122 A 77 THR HB A 80 GLY H 1.0 1.8 5.0 1210 1123 A 76 LEU HDx% A 80 GLY H 1.0 1.8 5.0 1211 1124 A 80 GLY H A 79 TYR HBy 1.0 1.8 4.0 1212 1125 A 80 GLY H A 79 TYR HA 1.0 1.8 4.0 1213 1126 A 80 GLY HAx A 80 GLY H 1.0 1.8 4.0 1214 1127 A 80 GLY HAy A 80 GLY H 1.0 1.8 3.0 1215 1128 A 80 GLY H A 81 TRP H 1.0 1.8 5.0 1216 1129 A 78 GLU HA A 80 GLY H 1.0 1.8 4.0 1217 1130 A 81 TRP HD1 A 81 TRP HE1 1.0 1.8 3.0 1218 1131 A 76 LEU HDx% A 81 TRP H 1.0 1.8 5.0 1219 1132 A 77 THR H A 81 TRP H 1.0 1.8 5.0 1220 1133 A 80 GLY HAx A 81 TRP H 1.0 1.8 3.0 1221 1134 A 80 GLY HAy A 81 TRP H 1.0 1.8 3.0 1222 1135 A 81 TRP HA A 81 TRP H 1.0 1.8 4.0 1223 1136 A 81 TRP HBx A 81 TRP H 1.0 1.8 4.0 1224 1137 A 81 TRP HBy A 81 TRP H 1.0 1.8 3.0 1225 1138 A 82 ARG H A 81 TRP H 1.0 1.8 5.0 1226 1139 A 74 LYS HA A 82 ARG H 1.0 1.8 4.5 1227 1140 A 74 LYS HBx A 82 ARG H 1.0 1.8 4.5 1228 1141 A 75 VAL HB A 82 ARG H 1.0 1.8 4.0 1229 1142 A 75 VAL HGx% A 82 ARG H 1.0 1.8 6.0 1230 1143 A 76 LEU HA A 82 ARG H 1.0 1.8 4.0 1231 1144 A 77 THR HG2% A 82 ARG H 1.0 1.8 5.0 1232 1145 A 81 TRP HA A 82 ARG H 1.0 1.8 3.0 1233 1146 A 81 TRP HBx A 82 ARG H 1.0 1.8 4.0 1234 1147 A 81 TRP HBy A 82 ARG H 1.0 1.8 5.0 1235 1148 A 81 TRP HE3 A 82 ARG H 1.0 1.8 4.0 1236 1149 A 82 ARG HA A 82 ARG H 1.0 1.8 4.0 1237 1150 A 82 ARG H A 82 ARG HBx 1.0 1.8 4.0 1238 1151 A 82 ARG H A 82 ARG HBy 1.0 1.8 3.0 1239 1152 A 87 LEU HD21 A 82 ARG H 1.0 1.8 6.0 1240 1153 A 82 ARG HA A 83 ALA H 1.0 1.8 3.0 1241 1154 A 82 ARG HBx A 83 ALA H 1.0 1.8 4.0 1242 1155 A 83 ALA HA A 83 ALA H 1.0 1.8 4.0 1243 1156 A 83 ALA HB% A 83 ALA H 1.0 1.8 3.0 1244 1157 A 83 ALA HA A 84 ALA H 1.0 1.8 3.0 1245 1158 A 83 ALA HB% A 84 ALA H 1.0 1.8 4.0 1246 1159 A 84 ALA H A 83 ALA H 1.0 1.8 6.0 1247 1160 A 84 ALA HA A 84 ALA H 1.0 1.8 3.0 1248 1161 A 84 ALA H A 75 VAL HB 1.0 1.8 6.0 1249 1162 A 84 ALA H A 74 LYS HA 1.0 1.8 4.0 1250 1163 A 87 LEU HG A 84 ALA H 1.0 1.8 5.0 1251 1164 A 72 ASP HA A 84 ALA H 1.0 1.8 5.0 1252 1165 A 73 HIS HBy A 84 ALA H 1.0 1.8 6.0 1253 1166 A 57 ILE HG1y A 85 GLY H 1.0 1.8 6.0 1254 1167 A 57 ILE HD1% A 85 GLY H 1.0 1.8 5.0 1255 1168 A 71 PRO HA A 85 GLY H 1.0 1.8 4.0 1256 1169 A 71 PRO HBy A 85 GLY H 1.0 1.8 4.0 1257 1170 A 85 GLY H A 71 PRO HBx 1.0 1.8 5.0 1258 1171 A 83 ALA HA A 85 GLY H 1.0 1.8 5.0 1259 1172 A 85 GLY H A 83 ALA HB% 1.0 1.8 4.0 1260 1173 A 84 ALA HA A 85 GLY H 1.0 1.8 4.0 1261 1174 A 84 ALA HB% A 85 GLY H 1.0 1.8 4.0 1262 1175 A 85 GLY H A 85 GLY HA2 1.0 1.8 3.0 1263 1175 A 85 GLY H A 85 GLY HA3 1.0 1.8 3.0 1264 1176 A 85 GLY H A 86 GLU H 1.0 1.8 3.0 1265 1177 A 87 LEU HG A 85 GLY H 1.0 1.8 5.0 1266 1178 A 85 GLY H A 87 LEU H 1.0 1.8 5.0 1267 1179 A 83 ALA HB% A 86 GLU H 1.0 1.8 4.0 1268 1180 A 86 GLU H A 85 GLY HA2 1.0 1.8 4.0 1269 1180 A 85 GLY HA3 A 86 GLU H 1.0 1.8 4.0 1270 1181 A 86 GLU HA A 86 GLU H 1.0 1.8 4.0 1271 1182 A 86 GLU H A 86 GLU HB2 1.0 1.8 4.0 1272 1182 A 86 GLU H A 86 GLU HB3 1.0 1.8 4.0 1273 1183 A 86 GLU H A 86 GLU HG2 1.0 1.8 3.5 1274 1183 A 86 GLU HG3 A 86 GLU H 1.0 1.8 3.5 1275 1184 A 87 LEU HBx A 86 GLU H 1.0 1.8 6.0 1276 1185 A 87 LEU HBy A 86 GLU H 1.0 1.8 5.0 1277 1186 A 87 LEU HG A 86 GLU H 1.0 1.8 4.0 1278 1187 A 86 GLU H A 87 LEU H 1.0 1.8 3.0 1279 1188 A 86 GLU HA A 87 LEU H 1.0 1.8 4.0 1280 1189 A 87 LEU H A 86 GLU HB2 1.0 1.8 4.0 1281 1189 A 87 LEU H A 86 GLU HB3 1.0 1.8 4.0 1282 1190 A 87 LEU H A 86 GLU HG2 1.0 1.8 5.0 1283 1190 A 86 GLU HG3 A 87 LEU H 1.0 1.8 5.0 1284 1191 A 87 LEU HA A 87 LEU H 1.0 1.8 4.0 1285 1192 A 87 LEU HG A 87 LEU H 1.0 1.8 3.0 1286 1193 A 87 LEU HBx A 87 LEU H 1.0 1.8 4.0 1287 1194 A 87 LEU HBy A 87 LEU H 1.0 1.8 3.0 1288 1195 A 87 LEU H A 88 ARG H 1.0 1.8 5.0 1289 1196 A 88 ARG H A 111 VAL HGy% 1.0 1.8 6.0 1290 1197 A 87 LEU HA A 88 ARG H 1.0 1.8 3.0 1291 1198 A 87 LEU HBy A 88 ARG H 1.0 1.8 4.0 1292 1199 A 88 ARG HA A 88 ARG H 1.0 1.8 4.0 1293 1200 A 88 ARG H A 88 ARG HBx 1.0 1.8 4.0 1294 1201 A 88 ARG HBy A 88 ARG H 1.0 1.8 3.0 1295 1202 A 88 ARG H A 88 ARG HDy 1.0 1.8 5.0 1296 1202 A 88 ARG H A 88 ARG HDx 1.0 1.8 5.0 1297 1203 A 88 ARG H A 89 LYS H 1.0 1.8 5.0 1298 1204 A 88 ARG H A 91 ASP HBx 1.0 1.8 5.0 1299 1205 A 88 ARG H A 91 ASP HBy 1.0 1.8 4.0 1300 1206 A 88 ARG H A 91 ASP H 1.0 1.8 4.0 1301 1207 A 110 GLU HA A 89 LYS H 1.0 1.8 5.0 1302 1208 A 111 VAL HGy% A 89 LYS H 1.0 1.8 4.0 1303 1209 A 88 ARG HA A 89 LYS H 1.0 1.8 3.0 1304 1210 A 88 ARG HBy A 89 LYS H 1.0 1.8 4.0 1305 1211 A 89 LYS HA A 89 LYS H 1.0 1.8 3.0 1306 1212 A 89 LYS H A 90 GLY H 1.0 1.8 5.0 1307 1213 A 108 ILE HB A 90 GLY H 1.0 1.8 4.0 1308 1214 A 89 LYS HA A 90 GLY H 1.0 1.8 3.0 1309 1215 A 90 GLY H A 89 LYS HBx 1.0 1.8 5.0 1310 1215 A 90 GLY H A 89 LYS HBy 1.0 1.8 5.0 1311 1216 A 90 GLY H A 90 GLY HAy 1.0 1.8 3.0 1312 1216 A 90 GLY H A 90 GLY HAx 1.0 1.8 3.0 1313 1217 A 91 ASP H A 90 GLY H 1.0 1.8 4.0 1314 1218 A 91 ASP H A 108 ILE H 1.0 1.8 4.0 1315 1219 A 108 ILE HB A 91 ASP H 1.0 1.8 4.0 1316 1220 A 89 LYS HA A 91 ASP H 1.0 1.8 4.0 1317 1221 A 91 ASP H A 90 GLY HAx 1.0 1.8 4.0 1318 1222 A 91 ASP H A 90 GLY HAy 1.0 1.8 4.0 1319 1223 A 91 ASP H A 91 ASP HA 1.0 1.8 4.0 1320 1224 A 91 ASP HBx A 91 ASP H 1.0 1.8 5.0 1321 1225 A 91 ASP HBy A 91 ASP H 1.0 1.8 3.0 1322 1226 A 107 VAL HA A 92 ARG H 1.0 1.8 5.0 1323 1227 A 92 ARG HGy A 92 ARG H 1.0 1.8 5.0 1324 1228 A 92 ARG H A 91 ASP HA 1.0 1.8 3.0 1325 1229 A 92 ARG H A 91 ASP HBx 1.0 1.8 4.0 1326 1230 A 92 ARG H A 91 ASP HBy 1.0 1.8 5.0 1327 1231 A 92 ARG H A 91 ASP H 1.0 1.8 5.0 1328 1232 A 92 ARG HA A 92 ARG H 1.0 1.8 4.0 1329 1233 A 92 ARG H A 92 ARG HBx 1.0 1.8 4.0 1330 1234 A 93 VAL HGx% A 92 ARG H 1.0 1.8 6.0 1331 1235 A 93 VAL H A 106 SER H 1.0 1.8 4.0 1332 1236 A 92 ARG HA A 93 VAL H 1.0 1.8 3.0 1333 1237 A 92 ARG HGy A 93 VAL H 1.0 1.8 5.0 1334 1238 A 93 VAL HA A 93 VAL H 1.0 1.8 4.0 1335 1239 A 93 VAL HB A 93 VAL H 1.0 1.8 4.0 1336 1240 A 93 VAL HGx% A 93 VAL H 1.0 1.8 4.0 1337 1241 A 105 TYR HD% A 94 ALA H 1.0 1.8 6.0 1338 1242 A 106 SER H A 94 ALA H 1.0 1.8 6.0 1339 1243 A 76 LEU HDx% A 94 ALA H 1.0 1.8 6.0 1340 1244 A 94 ALA H A 93 VAL HGy% 1.0 1.8 5.0 1341 1245 A 77 THR HA A 94 ALA H 1.0 1.8 4.0 1342 1246 A 77 THR HG2% A 94 ALA H 1.0 1.8 5.3 1343 1247 A 93 VAL HA A 94 ALA H 1.0 1.8 3.0 1344 1248 A 93 VAL HB A 94 ALA H 1.0 1.8 3.0 1345 1249 A 94 ALA HA A 94 ALA H 1.0 1.8 4.0 1346 1250 A 94 ALA HB% A 94 ALA H 1.0 1.8 3.0 1347 1251 A 105 TYR HA A 95 VAL H 1.0 1.8 4.0 1348 1252 A 105 TYR HD% A 95 VAL H 1.0 1.8 5.0 1349 1253 A 95 VAL H A 105 TYR H 1.0 1.8 6.0 1350 1254 A 94 ALA HA A 95 VAL H 1.0 1.8 3.0 1351 1255 A 95 VAL HA A 95 VAL H 1.0 1.8 3.3 1352 1256 A 95 VAL HGy% A 95 VAL H 1.0 1.8 4.0 1353 1257 A 96 ARG H A 131 VAL HGx% 1.0 1.8 4.3 1354 1257 A 131 VAL HGy% A 96 ARG H 1.0 1.8 4.3 1355 1258 A 96 ARG H A 134 GLY HAy 1.0 1.8 4.0 1356 1259 A 135 VAL HA A 96 ARG H 1.0 1.8 4.0 1357 1260 A 95 VAL HA A 96 ARG H 1.0 1.8 3.0 1358 1261 A 96 ARG H A 95 VAL HB 1.0 1.8 4.0 1359 1262 A 95 VAL HGy% A 96 ARG H 1.0 1.8 5.0 1360 1263 A 95 VAL H A 96 ARG H 1.0 1.8 5.0 1361 1264 A 96 ARG HA A 96 ARG H 1.0 1.8 4.0 1362 1265 A 96 ARG H A 96 ARG HBx 1.0 1.8 3.0 1363 1266 A 96 ARG H A 96 ARG HBy 1.0 1.8 4.0 1364 1267 A 97 ASP H A 102 GLU H 1.0 1.8 4.0 1365 1268 A 103 LEU HA A 97 ASP H 1.0 1.8 4.0 1366 1269 A 97 ASP H A 104 ARG H 1.0 1.8 5.0 1367 1270 A 96 ARG HA A 97 ASP H 1.0 1.8 3.0 1368 1271 A 96 ARG HBx A 97 ASP H 1.0 1.8 5.0 1369 1272 A 96 ARG HBy A 97 ASP H 1.0 1.8 5.0 1370 1273 A 97 ASP H A 97 ASP HA 1.0 1.8 4.0 1371 1274 A 97 ASP H A 97 ASP HBx 1.0 1.8 3.0 1372 1275 A 97 ASP H A 97 ASP HBy 1.0 1.8 3.0 1373 1276 A 97 ASP H A 98 VAL H 1.0 1.8 5.0 1374 1277 A 98 VAL H A 101 GLY H 1.0 1.8 5.0 1375 1278 A 97 ASP HA A 98 VAL H 1.0 1.8 3.0 1376 1279 A 97 ASP HBx A 98 VAL H 1.0 1.8 5.0 1377 1280 A 97 ASP HBy A 98 VAL H 1.0 1.8 5.0 1378 1281 A 98 VAL HA A 98 VAL H 1.0 1.8 4.0 1379 1282 A 98 VAL H A 98 VAL HB 1.0 1.8 3.0 1380 1283 A 98 VAL HG21 A 98 VAL H 1.0 1.8 4.5 1381 1284 A 100 THR HG2% A 99 GLU H 1.0 1.8 6.0 1382 1285 A 97 ASP HA A 99 GLU H 1.0 1.8 4.0 1383 1286 A 98 VAL HA A 99 GLU H 1.0 1.8 4.0 1384 1287 A 98 VAL HG21 A 99 GLU H 1.0 1.8 6.0 1385 1288 A 99 GLU HA A 99 GLU H 1.0 1.8 4.0 1386 1289 A 99 GLU H A 99 GLU HBx 1.0 1.8 4.0 1387 1290 A 99 GLU H A 99 GLU HBy 1.0 1.8 3.0 1388 1291 A 100 THR HA A 100 THR H 1.0 1.8 4.0 1389 1292 A 100 THR H A 101 GLY HAy 1.0 1.8 6.0 1390 1292 A 101 GLY HAx A 100 THR H 1.0 1.8 6.0 1391 1293 A 100 THR HG2% A 100 THR H 1.0 1.8 4.0 1392 1294 A 102 GLU H A 100 THR H 1.0 1.8 4.0 1393 1295 A 97 ASP HBx A 100 THR H 1.0 1.8 3.0 1394 1296 A 99 GLU HA A 100 THR H 1.0 1.8 4.0 1395 1297 A 99 GLU HBx A 100 THR H 1.0 1.8 3.5 1396 1298 A 99 GLU HBy A 100 THR H 1.0 1.8 4.0 1397 1299 A 100 THR HA A 101 GLY H 1.0 1.8 4.0 1398 1300 A 100 THR HG2% A 101 GLY H 1.0 1.8 6.0 1399 1301 A 101 GLY HAx A 101 GLY H 1.0 1.8 4.0 1400 1302 A 101 GLY H A 101 GLY HAy 1.0 1.8 3.0 1401 1303 A 102 GLU HGy A 101 GLY H 1.0 1.8 5.0 1402 1304 A 102 GLU H A 101 GLY H 1.0 1.8 3.0 1403 1305 A 97 ASP HBx A 101 GLY H 1.0 1.8 3.0 1404 1306 A 97 ASP HBy A 101 GLY H 1.0 1.8 5.0 1405 1307 A 101 GLY HAx A 102 GLU H 1.0 1.8 4.0 1406 1308 A 102 GLU H A 101 GLY HAy 1.0 1.8 4.0 1407 1309 A 102 GLU HA A 102 GLU H 1.0 1.8 3.3 1408 1310 A 102 GLU HBy A 102 GLU H 1.0 1.8 4.0 1409 1311 A 102 GLU H A 102 GLU HBx 1.0 1.8 3.0 1410 1312 A 102 GLU HGy A 102 GLU H 1.0 1.8 3.0 1411 1313 A 102 GLU H A 103 LEU H 1.0 1.8 5.0 1412 1314 A 102 GLU H A 97 ASP HBx 1.0 1.8 3.0 1413 1315 A 102 GLU HA A 103 LEU H 1.0 1.8 3.0 1414 1316 A 102 GLU HBx A 103 LEU H 1.0 1.8 4.3 1415 1317 A 102 GLU HBy A 103 LEU H 1.0 1.8 4.0 1416 1318 A 102 GLU HGy A 103 LEU H 1.0 1.8 5.0 1417 1319 A 103 LEU HA A 103 LEU H 1.0 1.8 4.0 1418 1320 A 103 LEU H A 103 LEU HBx 1.0 1.8 3.0 1419 1321 A 103 LEU H A 103 LEU HBy 1.0 1.8 3.0 1420 1322 A 103 LEU HDy% A 103 LEU H 1.0 1.8 5.0 1421 1322 A 103 LEU H A 103 LEU HDx% 1.0 1.8 5.0 1422 1323 A 104 ARG H A 103 LEU H 1.0 1.8 5.0 1423 1324 A 96 ARG HA A 103 LEU H 1.0 1.8 6.0 1424 1325 A 40 LEU HG A 103 LEU H 1.0 1.8 5.3 1425 1326 A 103 LEU HA A 104 ARG H 1.0 1.8 3.0 1426 1327 A 104 ARG H A 103 LEU HBx 1.0 1.8 5.0 1427 1328 A 104 ARG H A 103 LEU HBy 1.0 1.8 5.0 1428 1329 A 103 LEU HG A 104 ARG H 1.0 1.8 4.0 1429 1330 A 103 LEU HDy% A 104 ARG H 1.0 1.8 5.0 1430 1330 A 104 ARG H A 103 LEU HDx% 1.0 1.8 5.0 1431 1331 A 104 ARG HA A 104 ARG H 1.0 1.8 4.0 1432 1332 A 104 ARG H A 104 ARG HBx 1.0 1.8 4.0 1433 1333 A 104 ARG H A 104 ARG HBy 1.0 1.8 5.0 1434 1334 A 104 ARG H A 104 ARG HGx 1.0 1.8 3.0 1435 1334 A 104 ARG HGy A 104 ARG H 1.0 1.8 3.0 1436 1335 A 95 VAL HGy% A 104 ARG H 1.0 1.8 4.0 1437 1336 A 95 VAL H A 104 ARG H 1.0 1.8 4.0 1438 1337 A 96 ARG HA A 104 ARG H 1.0 1.8 4.0 1439 1338 A 94 ALA HA A 104 ARG H 1.0 1.8 5.0 1440 1339 A 94 ALA HB% A 104 ARG H 1.0 1.8 6.0 1441 1340 A 104 ARG HA A 105 TYR H 1.0 1.8 3.0 1442 1341 A 105 TYR H A 104 ARG HBy 1.0 1.8 3.0 1443 1342 A 105 TYR H A 104 ARG HGx 1.0 1.8 5.0 1444 1342 A 104 ARG HGy A 105 TYR H 1.0 1.8 5.0 1445 1343 A 105 TYR HA A 105 TYR H 1.0 1.8 3.3 1446 1344 A 105 TYR H A 105 TYR HBy 1.0 1.8 3.0 1447 1345 A 105 TYR HD% A 105 TYR H 1.0 1.8 4.0 1448 1346 A 106 SER H A 105 TYR H 1.0 1.8 5.0 1449 1347 A 95 VAL HGy% A 105 TYR H 1.0 1.8 5.3 1450 1348 A 105 TYR HA A 106 SER H 1.0 1.8 3.0 1451 1349 A 106 SER H A 105 TYR HBy 1.0 1.8 4.5 1452 1350 A 105 TYR HD% A 106 SER H 1.0 1.8 5.0 1453 1351 A 106 SER HA A 106 SER H 1.0 1.8 3.5 1454 1352 A 106 SER HBx A 106 SER H 1.0 1.8 5.0 1455 1353 A 106 SER HBy A 106 SER H 1.0 1.8 3.0 1456 1354 A 92 ARG HA A 106 SER H 1.0 1.8 5.0 1457 1355 A 92 ARG HBx A 106 SER H 1.0 1.8 4.0 1458 1356 A 92 ARG HGy A 106 SER H 1.0 1.8 5.0 1459 1357 A 106 SER H A 93 VAL HGy% 1.0 1.8 5.0 1460 1358 A 93 VAL HA A 106 SER H 1.0 1.8 6.0 1461 1359 A 94 ALA HA A 106 SER H 1.0 1.8 5.0 1462 1360 A 95 VAL HGx% A 106 SER H 1.0 1.8 4.0 1463 1361 A 106 SER H A 95 VAL H 1.0 1.8 4.3 1464 1362 A 106 SER HA A 107 VAL H 1.0 1.8 3.0 1465 1363 A 106 SER HBx A 107 VAL H 1.0 1.8 4.0 1466 1364 A 106 SER HBy A 107 VAL H 1.0 1.8 5.0 1467 1365 A 107 VAL H A 106 SER H 1.0 1.8 5.0 1468 1366 A 107 VAL HA A 107 VAL H 1.0 1.8 4.0 1469 1367 A 107 VAL H A 107 VAL HB 1.0 1.8 4.0 1470 1368 A 107 VAL H A 107 VAL HGx% 1.0 1.8 3.5 1471 1368 A 107 VAL HGy% A 107 VAL H 1.0 1.8 3.5 1472 1369 A 107 VAL H A 108 ILE H 1.0 1.8 5.0 1473 1370 A 107 VAL H A 62 ALA HB% 1.0 1.8 4.0 1474 1371 A 92 ARG HGy A 107 VAL H 1.0 1.8 4.0 1475 1372 A 107 VAL HA A 108 ILE H 1.0 1.8 3.0 1476 1373 A 108 ILE HA A 108 ILE H 1.0 1.8 4.0 1477 1374 A 108 ILE HB A 108 ILE H 1.0 1.8 3.0 1478 1375 A 108 ILE HG2% A 108 ILE H 1.0 1.8 4.5 1479 1376 A 108 ILE H A 108 ILE HG1x 1.0 1.8 3.3 1480 1376 A 108 ILE HG1y A 108 ILE H 1.0 1.8 3.3 1481 1377 A 109 ARG H A 108 ILE H 1.0 1.8 5.0 1482 1378 A 89 LYS HA A 108 ILE H 1.0 1.8 5.0 1483 1379 A 61 ILE HA A 108 ILE H 1.0 1.8 6.0 1484 1380 A 61 ILE HD1% A 108 ILE H 1.0 1.8 6.0 1485 1381 A 108 ILE H A 91 ASP HA 1.0 1.8 6.0 1486 1382 A 91 ASP HBx A 108 ILE H 1.0 1.8 6.0 1487 1383 A 92 ARG HA A 108 ILE H 1.0 1.8 4.0 1488 1384 A 92 ARG HGx A 108 ILE H 1.0 1.8 6.0 1489 1385 A 90 GLY H A 108 ILE H 1.0 1.8 4.0 1490 1386 A 108 ILE HA A 109 ARG H 1.0 1.8 3.0 1491 1387 A 108 ILE HB A 109 ARG H 1.0 1.8 5.0 1492 1388 A 109 ARG H A 108 ILE HG1x 1.0 1.8 5.0 1493 1388 A 108 ILE HG1y A 109 ARG H 1.0 1.8 5.0 1494 1389 A 109 ARG HA A 109 ARG H 1.0 1.8 4.0 1495 1390 A 109 ARG H A 109 ARG HBx 1.0 1.8 3.5 1496 1391 A 109 ARG H A 109 ARG HBy 1.0 1.8 3.0 1497 1392 A 110 GLU H A 109 ARG H 1.0 1.8 3.0 1498 1393 A 109 ARG H A 110 GLU HBy 1.0 1.8 6.0 1499 1394 A 60 ARG HBy A 109 ARG H 1.0 1.8 5.5 1500 1395 A 61 ILE HA A 109 ARG H 1.0 1.8 3.0 1501 1396 A 109 ARG H A 61 ILE HD1% 1.0 1.8 5.0 1502 1397 A 109 ARG H A 109 ARG HGy 1.0 1.8 5.0 1503 1398 A 109 ARG H A 109 ARG HGx 1.0 1.8 5.0 1504 1399 A 108 ILE HA A 110 GLU H 1.0 1.8 5.0 1505 1400 A 108 ILE HG2% A 110 GLU H 1.0 1.8 5.0 1506 1401 A 109 ARG HA A 110 GLU H 1.0 1.8 4.0 1507 1402 A 110 GLU H A 109 ARG HBx 1.0 1.8 4.0 1508 1402 A 110 GLU H A 109 ARG HBy 1.0 1.8 4.0 1509 1403 A 110 GLU HA A 110 GLU H 1.0 1.8 4.0 1510 1404 A 110 GLU H A 110 GLU HBy 1.0 1.8 4.0 1511 1405 A 59 LEU HA A 110 GLU H 1.0 1.8 5.0 1512 1406 A 110 GLU H A 60 ARG HBx 1.0 1.8 3.0 1513 1407 A 111 VAL HA A 110 GLU H 1.0 1.8 5.0 1514 1408 A 111 VAL H A 89 LYS HBx 1.0 1.8 5.0 1515 1408 A 89 LYS HBy A 111 VAL H 1.0 1.8 5.0 1516 1409 A 110 GLU HA A 111 VAL H 1.0 1.8 3.0 1517 1410 A 110 GLU H A 111 VAL H 1.0 1.8 5.0 1518 1411 A 111 VAL H A 110 GLU HG2 1.0 1.8 3.0 1519 1411 A 110 GLU HG3 A 111 VAL H 1.0 1.8 3.0 1520 1412 A 111 VAL HA A 111 VAL H 1.0 1.8 4.0 1521 1413 A 111 VAL H A 111 VAL HB 1.0 1.8 3.0 1522 1414 A 111 VAL HGx% A 111 VAL H 1.0 1.8 4.5 1523 1415 A 111 VAL HGy% A 111 VAL H 1.0 1.8 4.0 1524 1416 A 112 LEU H A 111 VAL H 1.0 1.8 5.0 1525 1417 A 112 LEU HDy% A 111 VAL H 1.0 1.8 6.0 1526 1418 A 111 VAL HA A 112 LEU H 1.0 1.8 3.0 1527 1419 A 112 LEU H A 111 VAL HB 1.0 1.8 5.0 1528 1420 A 111 VAL HGx% A 112 LEU H 1.0 1.8 4.0 1529 1421 A 112 LEU HA A 112 LEU H 1.0 1.8 4.0 1530 1422 A 112 LEU H A 112 LEU HBy 1.0 1.8 4.0 1531 1423 A 112 LEU HBx A 112 LEU H 1.0 1.8 3.0 1532 1424 A 112 LEU HG A 112 LEU H 1.0 1.8 5.0 1533 1425 A 112 LEU HDy% A 112 LEU H 1.0 1.8 3.0 1534 1426 A 112 LEU HDx% A 112 LEU H 1.0 1.8 4.5 1535 1427 A 58 GLY HAx A 112 LEU H 1.0 1.8 4.0 1536 1428 A 112 LEU H A 58 GLY HAy 1.0 1.8 5.0 1537 1429 A 59 LEU HA A 112 LEU H 1.0 1.8 4.0 1538 1430 A 112 LEU H A 59 LEU HD1% 1.0 1.8 6.5 1539 1430 A 112 LEU H A 59 LEU HD21 1.0 1.8 6.5 1540 1431 A 57 ILE HB A 112 LEU H 1.0 1.8 5.0 1541 1432 A 113 PRO HA A 114 THR H 1.0 1.8 3.0 1542 1433 A 114 THR H A 113 PRO HBx 1.0 1.8 4.0 1543 1434 A 114 THR H A 113 PRO HBy 1.0 1.8 4.0 1544 1435 A 114 THR HA A 114 THR H 1.0 1.8 4.0 1545 1436 A 114 THR HB A 114 THR H 1.0 1.8 4.0 1546 1437 A 114 THR HG2% A 114 THR H 1.0 1.8 4.0 1547 1438 A 115 ARG H A 114 THR H 1.0 1.8 6.0 1548 1439 A 57 ILE HA A 114 THR H 1.0 1.8 6.0 1549 1440 A 114 THR HA A 115 ARG H 1.0 1.8 3.0 1550 1441 A 114 THR HB A 115 ARG H 1.0 1.8 3.0 1551 1442 A 114 THR HG2% A 115 ARG H 1.0 1.8 5.0 1552 1443 A 115 ARG H A 115 ARG HA 1.0 1.8 4.0 1553 1444 A 115 ARG H A 115 ARG HBx 1.0 1.8 4.0 1554 1445 A 115 ARG H A 115 ARG HBy 1.0 1.8 5.0 1555 1446 A 115 ARG H A 115 ARG HDy 1.0 1.8 6.0 1556 1446 A 115 ARG H A 115 ARG HDx 1.0 1.8 6.0 1557 1447 A 115 ARG H A 116 ARG H 1.0 1.8 5.0 1558 1448 A 115 ARG H A 56 VAL HGx% 1.0 1.8 6.0 1559 1449 A 56 VAL HGy% A 115 ARG H 1.0 1.8 4.0 1560 1450 A 57 ILE HA A 115 ARG H 1.0 1.8 5.0 1561 1451 A 55 ASP HA A 115 ARG H 1.0 1.8 4.0 1562 1452 A 55 ASP HBy A 115 ARG H 1.0 1.8 6.0 1563 1453 A 115 ARG HA A 116 ARG H 1.0 1.8 3.0 1564 1454 A 115 ARG HBx A 116 ARG H 1.0 1.8 4.3 1565 1455 A 115 ARG HBy A 116 ARG H 1.0 1.8 3.0 1566 1456 A 116 ARG H A 115 ARG HGy 1.0 1.8 5.0 1567 1457 A 116 ARG H A 115 ARG HGx 1.0 1.8 4.0 1568 1458 A 116 ARG HA A 116 ARG H 1.0 1.8 4.0 1569 1459 A 116 ARG H A 116 ARG HBx 1.0 1.8 4.0 1570 1460 A 116 ARG H A 116 ARG HBy 1.0 1.8 3.0 1571 1461 A 116 ARG H A 116 ARG HDy 1.0 1.8 5.3 1572 1462 A 116 ARG H A 116 ARG HGx 1.0 1.8 4.0 1573 1462 A 116 ARG HGy A 116 ARG H 1.0 1.8 4.0 1574 1463 A 116 ARG HA A 117 ALA H 1.0 1.8 3.0 1575 1464 A 117 ALA H A 116 ARG HBy 1.0 1.8 4.3 1576 1465 A 117 ALA H A 116 ARG HBx 1.0 1.8 4.0 1577 1466 A 117 ALA H A 116 ARG HDy 1.0 1.8 6.0 1578 1467 A 117 ALA H A 116 ARG H 1.0 1.8 5.0 1579 1468 A 117 ALA HA A 117 ALA H 1.0 1.8 4.0 1580 1469 A 117 ALA H A 117 ALA HB% 1.0 1.8 4.0 1581 1470 A 117 ALA H A 119 THR HG2% 1.0 1.8 5.0 1582 1471 A 53 THR HG2% A 117 ALA H 1.0 1.8 4.0 1583 1472 A 53 THR HA A 117 ALA H 1.0 1.8 4.0 1584 1473 A 55 ASP HA A 117 ALA H 1.0 1.8 5.0 1585 1474 A 117 ALA H A 56 VAL HGy% 1.0 1.8 5.3 1586 1475 A 117 ALA HA A 118 ARG H 1.0 1.8 3.0 1587 1476 A 117 ALA HB% A 118 ARG H 1.0 1.8 4.0 1588 1477 A 118 ARG HA A 118 ARG H 1.0 1.8 4.0 1589 1478 A 118 ARG H A 118 ARG HBx 1.0 1.8 4.0 1590 1479 A 118 ARG H A 118 ARG HBy 1.0 1.8 3.0 1591 1480 A 118 ARG H A 118 ARG HGy 1.0 1.8 4.0 1592 1480 A 118 ARG HGx A 118 ARG H 1.0 1.8 4.0 1593 1481 A 118 ARG H A 118 ARG HDx 1.0 1.8 6.0 1594 1481 A 118 ARG HDy A 118 ARG H 1.0 1.8 6.0 1595 1482 A 118 ARG H A 4 GLU HB2 1.0 1.8 4.0 1596 1482 A 4 GLU HB3 A 118 ARG H 1.0 1.8 4.0 1597 1483 A 53 THR HA A 118 ARG H 1.0 1.8 5.0 1598 1484 A 53 THR HG2% A 118 ARG H 1.0 1.8 6.0 1599 1485 A 118 ARG HA A 119 THR H 1.0 1.8 3.0 1600 1486 A 119 THR H A 118 ARG HBy 1.0 1.8 5.0 1601 1487 A 119 THR HA A 119 THR H 1.0 1.8 4.0 1602 1488 A 119 THR HB A 119 THR H 1.0 1.8 5.0 1603 1489 A 119 THR H A 119 THR HG2% 1.0 1.8 4.0 1604 1490 A 119 THR H A 51 GLN HBx 1.0 1.8 5.0 1605 1490 A 51 GLN HBy A 119 THR H 1.0 1.8 5.0 1606 1491 A 53 THR HA A 119 THR H 1.0 1.8 4.0 1607 1492 A 52 GLY HAy A 119 THR H 1.0 1.8 5.0 1608 1493 A 120 PHE HA A 119 THR H 1.0 1.8 6.0 1609 1494 A 119 THR HA A 120 PHE H 1.0 1.8 3.0 1610 1495 A 119 THR HB A 120 PHE H 1.0 1.8 3.0 1611 1496 A 119 THR HG2% A 120 PHE H 1.0 1.8 5.0 1612 1497 A 120 PHE HA A 120 PHE H 1.0 1.8 4.0 1613 1498 A 120 PHE H A 120 PHE HBx 1.0 1.8 5.0 1614 1499 A 120 PHE H A 120 PHE HBy 1.0 1.8 4.0 1615 1500 A 1 CYS HBy A 120 PHE H 1.0 1.8 4.5 1616 1501 A 120 PHE H A 2 LEU HBx 1.0 1.8 5.0 1617 1501 A 2 LEU HBy A 120 PHE H 1.0 1.8 5.0 1618 1502 A 19 ILE HD1% A 120 PHE H 1.0 1.8 5.0 1619 1503 A 51 GLN HBy A 120 PHE H 1.0 1.8 5.0 1620 1504 A 121 ASP HA A 122 LEU H 1.0 1.8 3.0 1621 1505 A 121 ASP H A 122 LEU H 1.0 1.8 5.0 1622 1506 A 122 LEU HA A 122 LEU H 1.0 1.8 4.0 1623 1507 A 122 LEU H A 122 LEU HBy 1.0 1.8 3.0 1624 1508 A 122 LEU H A 122 LEU HDx% 1.0 1.8 6.0 1625 1509 A 19 ILE HD1% A 122 LEU H 1.0 1.8 6.0 1626 1510 A 123 GLU HA A 122 LEU H 1.0 1.8 5.0 1627 1511 A 122 LEU H A 139 ASN HA 1.0 1.8 5.0 1628 1512 A 122 LEU HA A 123 GLU H 1.0 1.8 3.0 1629 1513 A 123 GLU H A 122 LEU HBy 1.0 1.8 5.0 1630 1514 A 123 GLU H A 122 LEU HDx% 1.0 1.8 6.0 1631 1515 A 123 GLU HA A 123 GLU H 1.0 1.8 4.0 1632 1516 A 123 GLU H A 123 GLU HBy 1.0 1.8 3.0 1633 1516 A 123 GLU HBx A 123 GLU H 1.0 1.8 3.0 1634 1517 A 123 GLU HGx A 123 GLU H 1.0 1.8 5.0 1635 1518 A 123 GLU H A 124 VAL H 1.0 1.8 5.0 1636 1519 A 139 ASN HBx A 123 GLU H 1.0 1.8 6.3 1637 1520 A 45 VAL HGx% A 123 GLU H 1.0 1.8 4.0 1638 1521 A 45 VAL HGy% A 123 GLU H 1.0 1.8 6.0 1639 1522 A 46 VAL H A 123 GLU H 1.0 1.8 5.0 1640 1523 A 47 SER HA A 123 GLU H 1.0 1.8 6.0 1641 1524 A 123 GLU H A 47 SER HBx 1.0 1.8 4.0 1642 1524 A 47 SER HBy A 123 GLU H 1.0 1.8 4.0 1643 1525 A 48 TRP HA A 123 GLU H 1.0 1.8 5.0 1644 1526 A 123 GLU HA A 124 VAL H 1.0 1.8 3.0 1645 1527 A 123 GLU HGx A 124 VAL H 1.0 1.8 4.0 1646 1528 A 124 VAL HA A 124 VAL H 1.0 1.8 4.0 1647 1529 A 124 VAL H A 124 VAL HB 1.0 1.8 3.0 1648 1530 A 124 VAL HGy% A 124 VAL H 1.0 1.8 4.0 1649 1531 A 139 ASN HBx A 124 VAL H 1.0 1.8 4.0 1650 1532 A 139 ASN HBy A 124 VAL H 1.0 1.8 4.0 1651 1533 A 124 VAL H A 128 HIS HA 1.0 1.8 3.0 1652 1534 A 125 GLU H A 125 GLU HBx 1.0 1.8 3.0 1653 1535 A 124 VAL HA A 125 GLU H 1.0 1.8 3.0 1654 1536 A 124 VAL HB A 125 GLU H 1.0 1.8 5.0 1655 1537 A 125 GLU H A 125 GLU HA 1.0 1.8 3.0 1656 1538 A 125 GLU H A 126 GLU H 1.0 1.8 5.0 1657 1539 A 43 ARG HBx A 125 GLU H 1.0 1.8 4.0 1658 1540 A 43 ARG HBy A 125 GLU H 1.0 1.8 5.0 1659 1541 A 125 GLU H A 43 ARG HDx 1.0 1.8 6.0 1660 1542 A 44 PRO HDy A 125 GLU H 1.0 1.8 5.0 1661 1543 A 45 VAL HA A 125 GLU H 1.0 1.8 4.0 1662 1544 A 46 VAL HGx% A 125 GLU H 1.0 1.8 5.0 1663 1545 A 46 VAL HGy% A 125 GLU H 1.0 1.8 5.0 1664 1546 A 125 GLU HA A 126 GLU H 1.0 1.8 3.0 1665 1547 A 126 GLU H A 125 GLU HBx 1.0 1.8 5.0 1666 1548 A 126 GLU HA A 126 GLU H 1.0 1.8 3.0 1667 1549 A 126 GLU HBy A 126 GLU H 1.0 1.8 4.0 1668 1550 A 126 GLU H A 126 GLU HBx 1.0 1.8 4.0 1669 1551 A 126 GLU H A 128 HIS HD2 1.0 1.8 6.0 1670 1552 A 126 GLU H A 127 LEU H 1.0 1.8 4.0 1671 1553 A 126 GLU HA A 127 LEU H 1.0 1.8 4.0 1672 1554 A 126 GLU HBx A 127 LEU H 1.0 1.8 3.0 1673 1555 A 126 GLU HGx A 127 LEU H 1.0 1.8 5.0 1674 1556 A 127 LEU HA A 127 LEU H 1.0 1.8 4.0 1675 1557 A 127 LEU H A 127 LEU HBy 1.0 1.8 4.0 1676 1557 A 127 LEU H A 127 LEU HBx 1.0 1.8 4.0 1677 1558 A 127 LEU HG A 127 LEU H 1.0 1.8 3.0 1678 1559 A 127 LEU HDx% A 127 LEU H 1.0 1.8 5.0 1679 1560 A 127 LEU H A 129 THR H 1.0 1.8 5.0 1680 1561 A 43 ARG HBx A 127 LEU H 1.0 1.8 5.0 1681 1562 A 43 ARG HBy A 127 LEU H 1.0 1.8 5.3 1682 1563 A 43 ARG HDy A 127 LEU H 1.0 1.8 4.0 1683 1564 A 33 ALA HA A 129 THR H 1.0 1.8 5.0 1684 1565 A 128 HIS HA A 129 THR H 1.0 1.8 3.0 1685 1566 A 129 THR HA A 129 THR H 1.0 1.8 4.0 1686 1567 A 130 LEU HB2 A 129 THR H 1.0 1.8 6.3 1687 1568 A 124 VAL HGy% A 129 THR H 1.0 1.8 5.0 1688 1569 A 124 VAL HB A 129 THR H 1.0 1.8 4.0 1689 1570 A 130 LEU H A 130 LEU HG 1.0 1.8 4.0 1690 1571 A 129 THR HA A 130 LEU H 1.0 1.8 3.0 1691 1572 A 130 LEU H A 129 THR HB 1.0 1.8 3.0 1692 1573 A 129 THR HG2% A 130 LEU H 1.0 1.8 5.0 1693 1574 A 130 LEU HA A 130 LEU H 1.0 1.8 4.0 1694 1575 A 130 LEU H A 131 VAL H 1.0 1.8 5.0 1695 1576 A 130 LEU H A 137 VAL HGy% 1.0 1.8 5.0 1696 1577 A 130 LEU H A 137 VAL H 1.0 1.8 4.0 1697 1578 A 130 LEU H A 139 ASN HA 1.0 1.8 5.0 1698 1579 A 130 LEU H A 139 ASN HBy 1.0 1.8 6.3 1699 1580 A 130 LEU H A 139 ASN H 1.0 1.8 5.0 1700 1581 A 81 TRP HH2 A 130 LEU H 1.0 1.8 5.0 1701 1582 A 130 LEU HA A 131 VAL H 1.0 1.8 3.0 1702 1583 A 130 LEU HB3 A 131 VAL H 1.0 1.8 4.0 1703 1584 A 130 LEU HB2 A 131 VAL H 1.0 1.8 3.0 1704 1585 A 131 VAL HA A 131 VAL H 1.0 1.8 4.0 1705 1586 A 131 VAL HB A 131 VAL H 1.0 1.8 3.0 1706 1587 A 131 VAL H A 131 VAL HGx% 1.0 1.8 4.0 1707 1587 A 131 VAL H A 131 VAL HGy% 1.0 1.8 4.0 1708 1588 A 131 VAL H A 132 ALA H 1.0 1.8 5.0 1709 1589 A 31 VAL HB A 131 VAL H 1.0 1.8 4.0 1710 1590 A 32 VAL HGx% A 131 VAL H 1.0 1.8 6.0 1711 1591 A 131 VAL H A 32 VAL H 1.0 1.8 4.0 1712 1592 A 131 VAL H A 8 ILE HA 1.0 1.8 6.0 1713 1593 A 131 VAL HA A 132 ALA H 1.0 1.8 3.0 1714 1594 A 132 ALA H A 135 VAL HB 1.0 1.8 4.0 1715 1595 A 132 ALA H A 131 VAL HGx% 1.0 1.8 5.0 1716 1595 A 131 VAL HGy% A 132 ALA H 1.0 1.8 5.0 1717 1596 A 132 ALA HA A 132 ALA H 1.0 1.8 4.0 1718 1597 A 132 ALA H A 132 ALA HB% 1.0 1.8 4.0 1719 1598 A 133 GLU H A 132 ALA H 1.0 1.8 5.0 1720 1599 A 132 ALA H A 135 VAL H 1.0 1.8 4.0 1721 1600 A 135 VAL HA A 132 ALA H 1.0 1.8 5.0 1722 1601 A 136 VAL HA A 132 ALA H 1.0 1.8 4.0 1723 1602 A 132 ALA HA A 133 GLU H 1.0 1.8 3.0 1724 1603 A 133 GLU H A 132 ALA HB% 1.0 1.8 5.0 1725 1604 A 133 GLU HA A 133 GLU H 1.0 1.8 3.0 1726 1605 A 133 GLU H A 134 GLY HAy 1.0 1.8 6.0 1727 1605 A 133 GLU H A 134 GLY HAx 1.0 1.8 6.0 1728 1606 A 8 ILE HA A 133 GLU H 1.0 1.8 4.0 1729 1607 A 133 GLU H A 8 ILE HD1% 1.0 1.8 6.8 1730 1608 A 133 GLU H A 8 ILE HG1x 1.0 1.8 5.0 1731 1608 A 133 GLU H A 8 ILE HG1y 1.0 1.8 5.0 1732 1609 A 133 GLU H A 7 ARG HBx 1.0 1.8 5.0 1733 1609 A 133 GLU H A 7 ARG HBy 1.0 1.8 5.0 1734 1610 A 133 GLU HGy A 133 GLU H 1.0 1.8 4.0 1735 1611 A 133 GLU HGx A 133 GLU H 1.0 1.8 5.0 1736 1612 A 131 VAL HB A 134 GLY H 1.0 1.8 6.0 1737 1613 A 134 GLY H A 131 VAL HGx% 1.0 1.8 5.0 1738 1613 A 131 VAL HGy% A 134 GLY H 1.0 1.8 5.0 1739 1614 A 132 ALA HA A 134 GLY H 1.0 1.8 4.0 1740 1615 A 133 GLU HA A 134 GLY H 1.0 1.8 3.5 1741 1616 A 134 GLY H A 133 GLU HBx 1.0 1.8 5.0 1742 1617 A 133 GLU H A 134 GLY H 1.0 1.8 3.0 1743 1618 A 134 GLY HAx A 134 GLY H 1.0 1.8 4.0 1744 1619 A 134 GLY H A 134 GLY HAy 1.0 1.8 3.0 1745 1620 A 135 VAL H A 134 GLY H 1.0 1.8 3.0 1746 1621 A 8 ILE HA A 134 GLY H 1.0 1.8 5.0 1747 1622 A 134 GLY H A 8 ILE HG1x 1.0 1.8 6.8 1748 1622 A 8 ILE HG1y A 134 GLY H 1.0 1.8 6.8 1749 1623 A 131 VAL HA A 135 VAL H 1.0 1.8 6.0 1750 1624 A 132 ALA HB% A 135 VAL H 1.0 1.8 6.0 1751 1625 A 135 VAL H A 134 GLY HAx 1.0 1.8 3.3 1752 1626 A 135 VAL H A 134 GLY HAy 1.0 1.8 4.0 1753 1627 A 135 VAL HA A 135 VAL H 1.0 1.8 4.0 1754 1628 A 135 VAL HB A 135 VAL H 1.0 1.8 3.0 1755 1629 A 135 VAL H A 135 VAL HG1% 1.0 1.8 5.0 1756 1630 A 135 VAL H A 136 VAL H 1.0 1.8 5.0 1757 1631 A 135 VAL HA A 136 VAL H 1.0 1.8 3.0 1758 1632 A 135 VAL HB A 136 VAL H 1.0 1.8 5.0 1759 1633 A 136 VAL H A 135 VAL HG1% 1.0 1.8 5.0 1760 1633 A 135 VAL HG2% A 136 VAL H 1.0 1.8 5.0 1761 1634 A 136 VAL HA A 136 VAL H 1.0 1.8 4.0 1762 1635 A 136 VAL H A 136 VAL HB 1.0 1.8 3.0 1763 1636 A 136 VAL HG2% A 136 VAL H 1.0 1.8 4.0 1764 1637 A 137 VAL HGx% A 136 VAL H 1.0 1.8 5.3 1765 1638 A 137 VAL H A 136 VAL H 1.0 1.8 5.0 1766 1639 A 93 VAL HGy% A 136 VAL H 1.0 1.8 6.0 1767 1640 A 95 VAL HA A 136 VAL H 1.0 1.8 4.0 1768 1641 A 137 VAL H A 129 THR HB 1.0 1.8 5.0 1769 1642 A 137 VAL H A 130 LEU HG 1.0 1.8 5.0 1770 1643 A 131 VAL HA A 137 VAL H 1.0 1.8 4.0 1771 1644 A 136 VAL HA A 137 VAL H 1.0 1.8 3.0 1772 1645 A 137 VAL H A 136 VAL HB 1.0 1.8 5.0 1773 1646 A 136 VAL HG2% A 137 VAL H 1.0 1.8 6.0 1774 1647 A 137 VAL HA A 137 VAL H 1.0 1.8 4.0 1775 1648 A 137 VAL H A 137 VAL HB 1.0 1.8 5.0 1776 1649 A 137 VAL H A 137 VAL HGy% 1.0 1.8 3.3 1777 1650 A 129 THR HG2% A 137 VAL H 1.0 1.8 6.3 1778 1651 A 137 VAL HA A 138 HIS H 1.0 1.8 4.0 1779 1652 A 137 VAL HB A 138 HIS H 1.0 1.8 3.0 1780 1653 A 137 VAL HGy% A 138 HIS H 1.0 1.8 5.0 1781 1654 A 138 HIS HA A 138 HIS H 1.0 1.8 4.0 1782 1655 A 138 HIS HBx A 138 HIS H 1.0 1.8 3.0 1783 1656 A 138 HIS HBy A 138 HIS H 1.0 1.8 4.0 1784 1657 A 73 HIS HD2 A 138 HIS H 1.0 1.8 5.0 1785 1658 A 74 LYS HBy A 138 HIS H 1.0 1.8 5.0 1786 1659 A 74 LYS H A 138 HIS H 1.0 1.8 5.0 1787 1660 A 75 VAL HA A 138 HIS H 1.0 1.8 5.0 1788 1661 A 81 TRP HZ3 A 138 HIS H 1.0 1.8 4.0 1789 1662 A 139 ASN HD2x A 128 HIS HB2 1.0 1.8 6.0 1790 1662 A 139 ASN HD2x A 128 HIS HBy 1.0 1.8 6.0 1791 1663 A 139 ASN HD2y A 128 HIS HB2 1.0 1.8 6.0 1792 1663 A 128 HIS HBy A 139 ASN HD2y 1.0 1.8 6.0 1793 1664 A 129 THR HA A 139 ASN H 1.0 1.8 3.0 1794 1665 A 129 THR HG2% A 139 ASN H 1.0 1.8 5.0 1795 1666 A 138 HIS HA A 139 ASN H 1.0 1.8 3.0 1796 1667 A 138 HIS HBx A 139 ASN H 1.0 1.8 5.0 1797 1668 A 138 HIS HBy A 139 ASN H 1.0 1.8 4.0 1798 1669 A 139 ASN HA A 139 ASN H 1.0 1.8 3.5 1799 1670 A 139 ASN HBx A 139 ASN H 1.0 1.8 3.0 1800 1671 A 139 ASN HBy A 139 ASN H 1.0 1.8 4.0 1801 1672 A 139 ASN H A 139 ASN HD2y 1.0 1.8 4.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin 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 51 GLN NE2 A 121 ASP OD2 1.0 2.6 3.2 2 1 A 51 GLN NE2 A 121 ASP OD1 1.0 2.6 3.2 3 2 A 51 GLN HE2x A 121 ASP OD2 1.0 1.8 2.3 4 2 A 121 ASP OD1 A 51 GLN HE2x 1.0 1.8 2.3 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 undefined _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 CYS C A 2 LEU N A 2 LEU CA A 2 LEU C 1.0 -127.00 -87.00 PHI 2 2 A 5 GLY C A 6 THR N A 6 THR CA A 6 THR C 1.0 -111.26 -54.02 PHI 3 3 A 6 THR C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -126.49 -76.29 PHI 4 4 A 7 ARG C A 8 ILE N A 8 ILE CA A 8 ILE C 1.0 -133.18 -85.34 PHI 5 5 A 8 ILE C A 9 PHE N A 9 PHE CA A 9 PHE C 1.0 -130.70 -78.38 PHI 6 6 A 9 PHE C A 10 ASP N A 10 ASP CA A 10 ASP C 1.0 -153.58 -84.50 PHI 7 7 A 11 PRO C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -78.54 -38.34 PHI 8 8 A 15 THR C A 16 THR N A 16 THR CA A 16 THR C 1.0 -122.18 -80.94 PHI 9 9 A 16 THR C A 17 HIS N A 17 HIS CA A 17 HIS C 1.0 -151.84 -101.20 PHI 10 10 A 17 HIS C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -93.70 -58.66 PHI 11 11 A 18 ARG C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -70.81 -54.77 PHI 12 12 A 19 ILE C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -75.98 -50.30 PHI 13 13 A 20 GLU C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -80.52 -43.12 PHI 14 14 A 21 ASP C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -67.36 -58.96 PHI 15 15 A 22 VAL C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -79.18 -42.54 PHI 16 16 A 23 VAL C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -73.99 -56.63 PHI 17 17 A 30 HIS C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -148.66 -99.02 PHI 18 18 A 32 VAL C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -155.16 -104.00 PHI 19 19 A 33 ALA C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -138.74 -98.10 PHI 20 20 A 34 ALA C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -112.91 -76.35 PHI 21 21 A 35 ALA C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -79.09 -48.41 PHI 22 22 A 37 ASP C A 38 GLY N A 38 GLY CA A 38 GLY C 1.0 58.18 98.34 PHI 23 23 A 38 GLY C A 39 THR N A 39 THR CA A 39 THR C 1.0 -95.71 -47.71 PHI 24 24 A 39 THR C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -124.65 -82.01 PHI 25 25 A 40 LEU C A 41 HIS N A 41 HIS CA A 41 HIS C 1.0 -160.90 -114.02 PHI 26 26 A 41 HIS C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -118.65 -78.37 PHI 27 27 A 42 ALA C A 43 ARG N A 43 ARG CA A 43 ARG C 1.0 -154.03 -97.39 PHI 28 28 A 45 VAL C A 46 VAL N A 46 VAL CA A 46 VAL C 1.0 -124.93 -96.81 PHI 29 29 A 48 TRP C A 49 PHE N A 49 PHE CA A 49 PHE C 1.0 -132.09 -88.53 PHI 30 30 A 49 PHE C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -116.07 -74.15 PHI 31 31 A 53 THR C A 54 ARG N A 54 ARG CA A 54 ARG C 1.0 -154.22 -96.62 PHI 32 32 A 54 ARG C A 55 ASP N A 55 ASP CA A 55 ASP C 1.0 -135.46 -77.70 PHI 33 33 A 55 ASP C A 56 VAL N A 56 VAL CA A 56 VAL C 1.0 -158.01 -107.05 PHI 34 34 A 58 GLY C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -138.36 -85.16 PHI 35 35 A 59 LEU C A 60 ARG N A 60 ARG CA A 60 ARG C 1.0 -130.27 -79.23 PHI 36 36 A 60 ARG C A 61 ILE N A 61 ILE CA A 61 ILE C 1.0 -125.35 -84.15 PHI 37 37 A 64 GLY C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -117.62 -60.42 PHI 38 38 A 65 ALA C A 66 ILE N A 66 ILE CA A 66 ILE C 1.0 -146.66 -95.30 PHI 39 39 A 66 ILE C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -142.01 -88.49 PHI 40 40 A 67 LEU C A 68 TRP N A 68 TRP CA A 68 TRP C 1.0 -129.18 -86.46 PHI 41 41 A 68 TRP C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -152.69 -106.89 PHI 42 42 A 71 PRO C A 72 ASP N A 72 ASP CA A 72 ASP C 1.0 -111.91 -78.63 PHI 43 43 A 72 ASP C A 73 HIS N A 73 HIS CA A 73 HIS C 1.0 -88.88 -65.64 PHI 44 44 A 73 HIS C A 74 LYS N A 74 LYS CA A 74 LYS C 1.0 -109.80 -78.08 PHI 45 45 A 76 LEU C A 77 THR N A 77 THR CA A 77 THR C 1.0 -132.68 -108.48 PHI 46 46 A 80 GLY C A 81 TRP N A 81 TRP CA A 81 TRP C 1.0 -116.50 -66.18 PHI 47 47 A 81 TRP C A 82 ARG N A 82 ARG CA A 82 ARG C 1.0 -152.23 -101.51 PHI 48 48 A 82 ARG C A 83 ALA N A 83 ALA CA A 83 ALA C 1.0 -102.39 -53.91 PHI 49 49 A 83 ALA C A 84 ALA N A 84 ALA CA A 84 ALA C 1.0 -77.63 -46.03 PHI 50 50 A 87 LEU C A 88 ARG N A 88 ARG CA A 88 ARG C 1.0 -141.41 -98.81 PHI 51 51 A 90 GLY C A 91 ASP N A 91 ASP CA A 91 ASP C 1.0 -96.75 -53.47 PHI 52 52 A 91 ASP C A 92 ARG N A 92 ARG CA A 92 ARG C 1.0 -149.15 -92.59 PHI 53 53 A 92 ARG C A 93 VAL N A 93 VAL CA A 93 VAL C 1.0 -156.92 -105.04 PHI 54 54 A 94 ALA C A 95 VAL N A 95 VAL CA A 95 VAL C 1.0 -146.76 -122.64 PHI 55 55 A 96 ARG C A 97 ASP N A 97 ASP CA A 97 ASP C 1.0 -96.79 -59.19 PHI 56 56 A 97 ASP C A 98 VAL N A 98 VAL CA A 98 VAL C 1.0 -72.79 -51.91 PHI 57 57 A 98 VAL C A 99 GLU N A 99 GLU CA A 99 GLU C 1.0 -100.74 -48.58 PHI 58 58 A 99 GLU C A 100 THR N A 100 THR CA A 100 THR C 1.0 -142.17 -82.21 PHI 59 59 A 102 GLU C A 103 LEU N A 103 LEU CA A 103 LEU C 1.0 -109.99 -61.03 PHI 60 60 A 103 LEU C A 104 ARG N A 104 ARG CA A 104 ARG C 1.0 -152.29 -116.61 PHI 61 61 A 104 ARG C A 105 TYR N A 105 TYR CA A 105 TYR C 1.0 -135.43 -81.79 PHI 62 62 A 105 TYR C A 106 SER N A 106 SER CA A 106 SER C 1.0 -180.03 -115.63 PHI 63 63 A 109 ARG C A 110 GLU N A 110 GLU CA A 110 GLU C 1.0 -160.22 -102.18 PHI 64 64 A 110 GLU C A 111 VAL N A 111 VAL CA A 111 VAL C 1.0 -146.78 -95.06 PHI 65 65 A 111 VAL C A 112 LEU N A 112 LEU CA A 112 LEU C 1.0 -111.45 -79.65 PHI 66 66 A 114 THR C A 115 ARG N A 115 ARG CA A 115 ARG C 1.0 -149.99 -98.55 PHI 67 67 A 116 ARG C A 117 ALA N A 117 ALA CA A 117 ALA C 1.0 -171.33 -120.73 PHI 68 68 A 118 ARG C A 119 THR N A 119 THR CA A 119 THR C 1.0 -145.97 -115.65 PHI 69 69 A 119 THR C A 120 PHE N A 120 PHE CA A 120 PHE C 1.0 -150.31 -112.23 PHI 70 70 A 120 PHE C A 121 ASP N A 121 ASP CA A 121 ASP C 1.0 -154.08 -117.64 PHI 71 71 A 121 ASP C A 122 LEU N A 122 LEU CA A 122 LEU C 1.0 -144.43 -116.83 PHI 72 72 A 122 LEU C A 123 GLU N A 123 GLU CA A 123 GLU C 1.0 -154.27 -90.55 PHI 73 73 A 123 GLU C A 124 VAL N A 124 VAL CA A 124 VAL C 1.0 -131.66 -78.18 PHI 74 74 A 126 GLU C A 127 LEU N A 127 LEU CA A 127 LEU C 1.0 -89.80 -39.36 PHI 75 75 A 129 THR C A 130 LEU N A 130 LEU CA A 130 LEU C 1.0 -163.96 -99.48 PHI 76 76 A 130 LEU C A 131 VAL N A 131 VAL CA A 131 VAL C 1.0 -131.19 -97.11 PHI 77 77 A 131 VAL C A 132 ALA N A 132 ALA CA A 132 ALA C 1.0 -133.13 -100.05 PHI 78 78 A 134 GLY C A 135 VAL N A 135 VAL CA A 135 VAL C 1.0 -127.70 -91.22 PHI 79 79 A 135 VAL C A 136 VAL N A 136 VAL CA A 136 VAL C 1.0 -117.12 -65.48 PHI 80 80 A 136 VAL C A 137 VAL N A 137 VAL CA A 137 VAL C 1.0 -143.81 -121.45 PHI 81 81 A 2 LEU N A 2 LEU CA A 2 LEU C A 3 ALA N 1.0 127.00 155.00 PSI 82 82 A 3 ALA N A 3 ALA CA A 3 ALA C A 4 GLU N 1.0 135.00 159.00 PSI 83 83 A 6 THR N A 6 THR CA A 6 THR C A 7 ARG N 1.0 119.94 149.54 PSI 84 84 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 ILE N 1.0 119.34 144.86 PSI 85 85 A 8 ILE N A 8 ILE CA A 8 ILE C A 9 PHE N 1.0 111.96 143.40 PSI 86 86 A 9 PHE N A 9 PHE CA A 9 PHE C A 10 ASP N 1.0 110.37 142.21 PSI 87 87 A 10 ASP N A 10 ASP CA A 10 ASP C A 11 PRO N 1.0 101.14 143.66 PSI 88 88 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 THR N 1.0 -55.61 -16.57 PSI 89 89 A 16 THR N A 16 THR CA A 16 THR C A 17 HIS N 1.0 118.06 140.22 PSI 90 90 A 17 HIS N A 17 HIS CA A 17 HIS C A 18 ARG N 1.0 134.84 169.24 PSI 91 91 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 ILE N 1.0 123.31 163.55 PSI 92 92 A 19 ILE N A 19 ILE CA A 19 ILE C A 20 GLU N 1.0 -47.58 -19.58 PSI 93 93 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 ASP N 1.0 -67.42 -16.34 PSI 94 94 A 21 ASP N A 21 ASP CA A 21 ASP C A 22 VAL N 1.0 -56.00 -24.20 PSI 95 95 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 VAL N 1.0 -55.59 -34.47 PSI 96 96 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 ASP N 1.0 -53.70 -28.50 PSI 97 97 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 GLY N 1.0 -46.96 -12.00 PSI 98 98 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 VAL N 1.0 128.71 170.03 PSI 99 99 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 ALA N 1.0 137.56 166.28 PSI 100 100 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 ALA N 1.0 126.27 148.51 PSI 101 101 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 ASP N 1.0 -41.44 2.80 PSI 102 102 A 39 THR N A 39 THR CA A 39 THR C A 40 LEU N 1.0 138.06 169.02 PSI 103 103 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 HIS N 1.0 124.85 153.29 PSI 104 104 A 41 HIS N A 41 HIS CA A 41 HIS C A 42 ALA N 1.0 138.98 167.54 PSI 105 105 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 ARG N 1.0 114.93 150.05 PSI 106 106 A 43 ARG N A 43 ARG CA A 43 ARG C A 44 PRO N 1.0 138.37 158.69 PSI 107 107 A 44 PRO N A 44 PRO CA A 44 PRO C A 45 VAL N 1.0 124.16 157.68 PSI 108 108 A 49 PHE N A 49 PHE CA A 49 PHE C A 50 ASP N 1.0 110.59 142.35 PSI 109 109 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 GLN N 1.0 100.17 140.93 PSI 110 110 A 54 ARG N A 54 ARG CA A 54 ARG C A 55 ASP N 1.0 134.14 175.74 PSI 111 111 A 55 ASP N A 55 ASP CA A 55 ASP C A 56 VAL N 1.0 118.73 142.93 PSI 112 112 A 56 VAL N A 56 VAL CA A 56 VAL C A 57 ILE N 1.0 128.36 169.76 PSI 113 113 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 ARG N 1.0 96.18 146.74 PSI 114 114 A 60 ARG N A 60 ARG CA A 60 ARG C A 61 ILE N 1.0 98.89 150.49 PSI 115 115 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 ILE N 1.0 125.73 169.37 PSI 116 116 A 66 ILE N A 66 ILE CA A 66 ILE C A 67 LEU N 1.0 107.12 164.88 PSI 117 117 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 TRP N 1.0 109.50 136.86 PSI 118 118 A 68 TRP N A 68 TRP CA A 68 TRP C A 69 ALA N 1.0 104.20 148.76 PSI 119 119 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 THR N 1.0 125.52 169.76 PSI 120 120 A 72 ASP N A 72 ASP CA A 72 ASP C A 73 HIS N 1.0 -13.00 14.68 PSI 121 121 A 73 HIS N A 73 HIS CA A 73 HIS C A 74 LYS N 1.0 112.78 149.42 PSI 122 122 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 VAL N 1.0 115.14 144.22 PSI 123 123 A 77 THR N A 77 THR CA A 77 THR C A 78 GLU N 1.0 138.67 180.51 PSI 124 124 A 81 TRP N A 81 TRP CA A 81 TRP C A 82 ARG N 1.0 116.20 151.80 PSI 125 125 A 82 ARG N A 82 ARG CA A 82 ARG C A 83 ALA N 1.0 126.44 163.92 PSI 126 126 A 83 ALA N A 83 ALA CA A 83 ALA C A 84 ALA N 1.0 112.67 152.23 PSI 127 127 A 84 ALA N A 84 ALA CA A 84 ALA C A 85 GLY N 1.0 -44.44 -5.28 PSI 128 128 A 88 ARG N A 88 ARG CA A 88 ARG C A 89 LYS N 1.0 135.49 171.17 PSI 129 129 A 91 ASP N A 91 ASP CA A 91 ASP C A 92 ARG N 1.0 130.87 169.35 PSI 130 130 A 92 ARG N A 92 ARG CA A 92 ARG C A 93 VAL N 1.0 131.82 176.42 PSI 131 131 A 93 VAL N A 93 VAL CA A 93 VAL C A 94 ALA N 1.0 134.85 173.05 PSI 132 132 A 95 VAL N A 95 VAL CA A 95 VAL C A 96 ARG N 1.0 136.33 171.49 PSI 133 133 A 96 ARG N A 96 ARG CA A 96 ARG C A 97 ASP N 1.0 110.85 138.21 PSI 134 134 A 97 ASP N A 97 ASP CA A 97 ASP C A 98 VAL N 1.0 102.92 139.48 PSI 135 135 A 98 VAL N A 98 VAL CA A 98 VAL C A 99 GLU N 1.0 -34.31 -17.39 PSI 136 136 A 99 GLU N A 99 GLU CA A 99 GLU C A 100 THR N 1.0 -56.37 -13.29 PSI 137 137 A 100 THR N A 100 THR CA A 100 THR C A 101 GLY N 1.0 -21.97 12.59 PSI 138 138 A 102 GLU N A 102 GLU CA A 102 GLU C A 103 LEU N 1.0 126.45 164.49 PSI 139 139 A 103 LEU N A 103 LEU CA A 103 LEU C A 104 ARG N 1.0 112.53 138.81 PSI 140 140 A 104 ARG N A 104 ARG CA A 104 ARG C A 105 TYR N 1.0 136.88 184.72 PSI 141 141 A 105 TYR N A 105 TYR CA A 105 TYR C A 106 SER N 1.0 122.21 155.33 PSI 142 142 A 106 SER N A 106 SER CA A 106 SER C A 107 VAL N 1.0 136.44 181.68 PSI 143 143 A 107 VAL N A 107 VAL CA A 107 VAL C A 108 ILE N 1.0 118.09 150.45 PSI 144 144 A 110 GLU N A 110 GLU CA A 110 GLU C A 111 VAL N 1.0 119.93 158.81 PSI 145 145 A 111 VAL N A 111 VAL CA A 111 VAL C A 112 LEU N 1.0 105.32 133.44 PSI 146 146 A 112 LEU N A 112 LEU CA A 112 LEU C A 113 PRO N 1.0 96.59 160.03 PSI 147 147 A 113 PRO N A 113 PRO CA A 113 PRO C A 114 THR N 1.0 120.26 172.14 PSI 148 148 A 114 THR N A 114 THR CA A 114 THR C A 115 ARG N 1.0 111.90 157.86 PSI 149 149 A 115 ARG N A 115 ARG CA A 115 ARG C A 116 ARG N 1.0 -51.90 369.98 PSI 150 150 A 117 ALA N A 117 ALA CA A 117 ALA C A 118 ARG N 1.0 135.19 169.15 PSI 151 151 A 119 THR N A 119 THR CA A 119 THR C A 120 PHE N 1.0 142.67 168.91 PSI 152 152 A 120 PHE N A 120 PHE CA A 120 PHE C A 121 ASP N 1.0 122.13 171.65 PSI 153 153 A 121 ASP N A 121 ASP CA A 121 ASP C A 122 LEU N 1.0 120.98 166.74 PSI 154 154 A 122 LEU N A 122 LEU CA A 122 LEU C A 123 GLU N 1.0 113.31 170.43 PSI 155 155 A 123 GLU N A 123 GLU CA A 123 GLU C A 124 VAL N 1.0 107.58 164.26 PSI 156 156 A 124 VAL N A 124 VAL CA A 124 VAL C A 125 GLU N 1.0 106.85 139.41 PSI 157 157 A 126 GLU N A 126 GLU CA A 126 GLU C A 127 LEU N 1.0 -61.48 -30.56 PSI 158 158 A 130 LEU N A 130 LEU CA A 130 LEU C A 131 VAL N 1.0 123.86 168.22 PSI 159 159 A 131 VAL N A 131 VAL CA A 131 VAL C A 132 ALA N 1.0 102.31 137.75 PSI 160 160 A 132 ALA N A 132 ALA CA A 132 ALA C A 133 GLU N 1.0 118.05 145.25 PSI 161 161 A 135 VAL N A 135 VAL CA A 135 VAL C A 136 VAL N 1.0 121.75 145.87 PSI 162 162 A 136 VAL N A 136 VAL CA A 136 VAL C A 137 VAL N 1.0 93.10 129.66 PSI 163 163 A 137 VAL N A 137 VAL CA A 137 VAL C A 138 HIS N 1.0 130.24 170.08 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_6 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_6 _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 ALA N A 3 ALA H 1.0 . . . 2 2 A 5 GLY N A 5 GLY H 1.0 . . . 3 3 A 6 THR N A 6 THR H 1.0 . . . 4 4 A 7 ARG N A 7 ARG H 1.0 . . . 5 5 A 9 PHE N A 9 PHE H 1.0 . . . 6 6 A 10 ASP N A 10 ASP H 1.0 . . . 7 7 A 13 THR N A 13 THR H 1.0 . . . 8 8 A 14 GLY N A 14 GLY H 1.0 . . . 9 9 A 15 THR N A 15 THR H 1.0 . . . 10 10 A 16 THR N A 16 THR H 1.0 . . . 11 11 A 17 HIS N A 17 HIS H 1.0 . . . 12 12 A 18 ARG N A 18 ARG H 1.0 . . . 13 13 A 19 ILE N A 19 ILE H 1.0 . . . 14 14 A 20 GLU N A 20 GLU H 1.0 . . . 15 15 A 21 ASP N A 21 ASP H 1.0 . . . 16 16 A 22 VAL N A 22 VAL H 1.0 . . . 17 17 A 23 VAL N A 23 VAL H 1.0 . . . 18 18 A 24 ASP N A 24 ASP H 1.0 . . . 19 19 A 25 GLY N A 25 GLY H 1.0 . . . 20 20 A 26 ARG N A 26 ARG H 1.0 . . . 21 21 A 27 LYS N A 27 LYS H 1.0 . . . 22 22 A 29 ILE N A 29 ILE H 1.0 . . . 23 23 A 31 VAL N A 31 VAL H 1.0 . . . 24 24 A 32 VAL N A 32 VAL H 1.0 . . . 25 25 A 33 ALA N A 33 ALA H 1.0 . . . 26 26 A 35 ALA N A 35 ALA H 1.0 . . . 27 27 A 37 ASP N A 37 ASP H 1.0 . . . 28 28 A 38 GLY N A 38 GLY H 1.0 . . . 29 29 A 39 THR N A 39 THR H 1.0 . . . 30 30 A 40 LEU N A 40 LEU H 1.0 . . . 31 31 A 41 HIS N A 41 HIS H 1.0 . . . 32 32 A 42 ALA N A 42 ALA H 1.0 . . . 33 33 A 43 ARG N A 43 ARG H 1.0 . . . 34 34 A 46 VAL N A 46 VAL H 1.0 . . . 35 35 A 47 SER N A 47 SER H 1.0 . . . 36 36 A 52 GLY N A 52 GLY H 1.0 . . . 37 37 A 55 ASP N A 55 ASP H 1.0 . . . 38 38 A 56 VAL N A 56 VAL H 1.0 . . . 39 39 A 58 GLY N A 58 GLY H 1.0 . . . 40 40 A 60 ARG N A 60 ARG H 1.0 . . . 41 41 A 61 ILE N A 61 ILE H 1.0 . . . 42 42 A 62 ALA N A 62 ALA H 1.0 . . . 43 43 A 64 GLY N A 64 GLY H 1.0 . . . 44 44 A 65 ALA N A 65 ALA H 1.0 . . . 45 45 A 66 ILE N A 66 ILE H 1.0 . . . 46 46 A 68 TRP N A 68 TRP H 1.0 . . . 47 47 A 70 THR N A 70 THR H 1.0 . . . 48 48 A 73 HIS N A 73 HIS H 1.0 . . . 49 49 A 74 LYS N A 74 LYS H 1.0 . . . 50 50 A 75 VAL N A 75 VAL H 1.0 . . . 51 51 A 77 THR N A 77 THR H 1.0 . . . 52 52 A 79 TYR N A 79 TYR H 1.0 . . . 53 53 A 80 GLY N A 80 GLY H 1.0 . . . 54 54 A 82 ARG N A 82 ARG H 1.0 . . . 55 55 A 85 GLY N A 85 GLY H 1.0 . . . 56 56 A 86 GLU N A 86 GLU H 1.0 . . . 57 57 A 87 LEU N A 87 LEU H 1.0 . . . 58 58 A 88 ARG N A 88 ARG H 1.0 . . . 59 59 A 89 LYS N A 89 LYS H 1.0 . . . 60 60 A 91 ASP N A 91 ASP H 1.0 . . . 61 61 A 92 ARG N A 92 ARG H 1.0 . . . 62 62 A 94 ALA N A 94 ALA H 1.0 . . . 63 63 A 96 ARG N A 96 ARG H 1.0 . . . 64 64 A 97 ASP N A 97 ASP H 1.0 . . . 65 65 A 98 VAL N A 98 VAL H 1.0 . . . 66 66 A 99 GLU N A 99 GLU H 1.0 . . . 67 67 A 100 THR N A 100 THR H 1.0 . . . 68 68 A 101 GLY N A 101 GLY H 1.0 . . . 69 69 A 102 GLU N A 102 GLU H 1.0 . . . 70 70 A 103 LEU N A 103 LEU H 1.0 . . . 71 71 A 105 TYR N A 105 TYR H 1.0 . . . 72 72 A 106 SER N A 106 SER H 1.0 . . . 73 73 A 107 VAL N A 107 VAL H 1.0 . . . 74 74 A 108 ILE N A 108 ILE H 1.0 . . . 75 75 A 109 ARG N A 109 ARG H 1.0 . . . 76 76 A 110 GLU N A 110 GLU H 1.0 . . . 77 77 A 111 VAL N A 111 VAL H 1.0 . . . 78 78 A 112 LEU N A 112 LEU H 1.0 . . . 79 79 A 114 THR N A 114 THR H 1.0 . . . 80 80 A 115 ARG N A 115 ARG H 1.0 . . . 81 81 A 117 ALA N A 117 ALA H 1.0 . . . 82 82 A 119 THR N A 119 THR H 1.0 . . . 83 83 A 121 ASP N A 121 ASP H 1.0 . . . 84 84 A 125 GLU N A 125 GLU H 1.0 . . . 85 85 A 130 LEU N A 130 LEU H 1.0 . . . 86 86 A 131 VAL N A 131 VAL H 1.0 . . . 87 87 A 132 ALA N A 132 ALA H 1.0 . . . 88 88 A 133 GLU N A 133 GLU H 1.0 . . . 89 89 A 134 GLY N A 134 GLY H 1.0 . . . 90 90 A 135 VAL N A 135 VAL H 1.0 . . . 91 91 A 136 VAL N A 136 VAL H 1.0 . . . 92 92 A 137 VAL N A 137 VAL H 1.0 . . . 93 93 A 138 HIS N A 138 HIS H 1.0 . . . 94 94 A 51 GLN NE2 A 51 GLN HE21 1.0 . . . stop_ save_ save_CNS/XPLOR_dipolar_coupling_7 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_7 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 2 LEU N A 2 LEU H 1.0 . . . 2 2 A 3 ALA N A 3 ALA H 1.0 . . . 3 3 A 4 GLU N A 4 GLU H 1.0 . . . 4 4 A 5 GLY N A 5 GLY H 1.0 . . . 5 5 A 6 THR N A 6 THR H 1.0 . . . 6 6 A 7 ARG N A 7 ARG H 1.0 . . . 7 7 A 8 ILE N A 8 ILE H 1.0 . . . 8 8 A 9 PHE N A 9 PHE H 1.0 . . . 9 9 A 10 ASP N A 10 ASP H 1.0 . . . 10 10 A 12 VAL N A 12 VAL H 1.0 . . . 11 11 A 13 THR N A 13 THR H 1.0 . . . 12 12 A 14 GLY N A 14 GLY H 1.0 . . . 13 13 A 15 THR N A 15 THR H 1.0 . . . 14 14 A 17 HIS N A 17 HIS H 1.0 . . . 15 15 A 18 ARG N A 18 ARG H 1.0 . . . 16 16 A 19 ILE N A 19 ILE H 1.0 . . . 17 17 A 20 GLU N A 20 GLU H 1.0 . . . 18 18 A 21 ASP N A 21 ASP H 1.0 . . . 19 19 A 22 VAL N A 22 VAL H 1.0 . . . 20 20 A 23 VAL N A 23 VAL H 1.0 . . . 21 21 A 24 ASP N A 24 ASP H 1.0 . . . 22 22 A 25 GLY N A 25 GLY H 1.0 . . . 23 23 A 26 ARG N A 26 ARG H 1.0 . . . 24 24 A 27 LYS N A 27 LYS H 1.0 . . . 25 25 A 29 ILE N A 29 ILE H 1.0 . . . 26 26 A 30 HIS N A 30 HIS H 1.0 . . . 27 27 A 31 VAL N A 31 VAL H 1.0 . . . 28 28 A 32 VAL N A 32 VAL H 1.0 . . . 29 29 A 33 ALA N A 33 ALA H 1.0 . . . 30 30 A 35 ALA N A 35 ALA H 1.0 . . . 31 31 A 36 LYS N A 36 LYS H 1.0 . . . 32 32 A 37 ASP N A 37 ASP H 1.0 . . . 33 33 A 38 GLY N A 38 GLY H 1.0 . . . 34 34 A 39 THR N A 39 THR H 1.0 . . . 35 35 A 40 LEU N A 40 LEU H 1.0 . . . 36 36 A 41 HIS N A 41 HIS H 1.0 . . . 37 37 A 42 ALA N A 42 ALA H 1.0 . . . 38 38 A 43 ARG N A 43 ARG H 1.0 . . . 39 39 A 45 VAL N A 45 VAL H 1.0 . . . 40 40 A 46 VAL N A 46 VAL H 1.0 . . . 41 41 A 47 SER N A 47 SER H 1.0 . . . 42 42 A 48 TRP N A 48 TRP H 1.0 . . . 43 43 A 49 PHE N A 49 PHE H 1.0 . . . 44 44 A 51 GLN N A 51 GLN H 1.0 . . . 45 45 A 52 GLY N A 52 GLY H 1.0 . . . 46 46 A 53 THR N A 53 THR H 1.0 . . . 47 47 A 55 ASP N A 55 ASP H 1.0 . . . 48 48 A 56 VAL N A 56 VAL H 1.0 . . . 49 49 A 58 GLY N A 58 GLY H 1.0 . . . 50 50 A 60 ARG N A 60 ARG H 1.0 . . . 51 51 A 61 ILE N A 61 ILE H 1.0 . . . 52 52 A 62 ALA N A 62 ALA H 1.0 . . . 53 53 A 64 GLY N A 64 GLY H 1.0 . . . 54 54 A 65 ALA N A 65 ALA H 1.0 . . . 55 55 A 66 ILE N A 66 ILE H 1.0 . . . 56 56 A 67 LEU N A 67 LEU H 1.0 . . . 57 57 A 68 TRP N A 68 TRP H 1.0 . . . 58 58 A 70 THR N A 70 THR H 1.0 . . . 59 59 A 72 ASP N A 72 ASP H 1.0 . . . 60 60 A 73 HIS N A 73 HIS H 1.0 . . . 61 61 A 74 LYS N A 74 LYS H 1.0 . . . 62 62 A 75 VAL N A 75 VAL H 1.0 . . . 63 63 A 76 LEU N A 76 LEU H 1.0 . . . 64 64 A 77 THR N A 77 THR H 1.0 . . . 65 65 A 78 GLU N A 78 GLU H 1.0 . . . 66 66 A 79 TYR N A 79 TYR H 1.0 . . . 67 67 A 80 GLY N A 80 GLY H 1.0 . . . 68 68 A 81 TRP N A 81 TRP H 1.0 . . . 69 69 A 82 ARG N A 82 ARG H 1.0 . . . 70 70 A 84 ALA N A 84 ALA H 1.0 . . . 71 71 A 85 GLY N A 85 GLY H 1.0 . . . 72 72 A 86 GLU N A 86 GLU H 1.0 . . . 73 73 A 87 LEU N A 87 LEU H 1.0 . . . 74 74 A 88 ARG N A 88 ARG H 1.0 . . . 75 75 A 89 LYS N A 89 LYS H 1.0 . . . 76 76 A 91 ASP N A 91 ASP H 1.0 . . . 77 77 A 92 ARG N A 92 ARG H 1.0 . . . 78 78 A 94 ALA N A 94 ALA H 1.0 . . . 79 79 A 96 ARG N A 96 ARG H 1.0 . . . 80 80 A 97 ASP N A 97 ASP H 1.0 . . . 81 81 A 98 VAL N A 98 VAL H 1.0 . . . 82 82 A 99 GLU N A 99 GLU H 1.0 . . . 83 83 A 100 THR N A 100 THR H 1.0 . . . 84 84 A 101 GLY N A 101 GLY H 1.0 . . . 85 85 A 102 GLU N A 102 GLU H 1.0 . . . 86 86 A 103 LEU N A 103 LEU H 1.0 . . . 87 87 A 105 TYR N A 105 TYR H 1.0 . . . 88 88 A 106 SER N A 106 SER H 1.0 . . . 89 89 A 107 VAL N A 107 VAL H 1.0 . . . 90 90 A 108 ILE N A 108 ILE H 1.0 . . . 91 91 A 110 GLU N A 110 GLU H 1.0 . . . 92 92 A 111 VAL N A 111 VAL H 1.0 . . . 93 93 A 112 LEU N A 112 LEU H 1.0 . . . 94 94 A 114 THR N A 114 THR H 1.0 . . . 95 95 A 115 ARG N A 115 ARG H 1.0 . . . 96 96 A 116 ARG N A 116 ARG H 1.0 . . . 97 97 A 117 ALA N A 117 ALA H 1.0 . . . 98 98 A 118 ARG N A 118 ARG H 1.0 . . . 99 99 A 119 THR N A 119 THR H 1.0 . . . 100 100 A 120 PHE N A 120 PHE H 1.0 . . . 101 101 A 121 ASP N A 121 ASP H 1.0 . . . 102 102 A 123 GLU N A 123 GLU H 1.0 . . . 103 103 A 124 VAL N A 124 VAL H 1.0 . . . 104 104 A 125 GLU N A 125 GLU H 1.0 . . . 105 105 A 127 LEU N A 127 LEU H 1.0 . . . 106 106 A 129 THR N A 129 THR H 1.0 . . . 107 107 A 130 LEU N A 130 LEU H 1.0 . . . 108 108 A 131 VAL N A 131 VAL H 1.0 . . . 109 109 A 132 ALA N A 132 ALA H 1.0 . . . 110 110 A 133 GLU N A 133 GLU H 1.0 . . . 111 111 A 134 GLY N A 134 GLY H 1.0 . . . 112 112 A 135 VAL N A 135 VAL H 1.0 . . . 113 113 A 136 VAL N A 136 VAL H 1.0 . . . 114 114 A 48 TRP NE1 A 48 TRP HE1 1.0 . . . 115 115 A 68 TRP NE1 A 68 TRP HE1 1.0 . . . 116 116 A 81 TRP NE1 A 81 TRP HE1 1.0 . . . 117 117 A 51 GLN NE2 A 51 GLN HE21 1.0 . . . 118 118 A 51 GLN NE2 A 51 GLN HE22 1.0 . . . stop_ save_