data_nef_c18888_2m20 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 LYS start . . 2 A 2 ILE middle . . 3 A 3 PRO middle . false 4 A 4 SER middle . . 5 A 5 ILE middle . . 6 A 6 ALA middle . . 7 A 7 THR middle . . 8 A 8 GLY middle . false 9 A 9 LEU middle . . 10 A 10 VAL middle . . 11 A 11 GLY middle . false 12 A 12 ALA middle . . 13 A 13 LEU middle . . 14 A 14 LEU middle . . 15 A 15 LEU middle . . 16 A 16 LEU middle . . 17 A 17 LEU middle . . 18 A 18 VAL middle . . 19 A 19 VAL middle . . 20 A 20 ALA middle . . 21 A 21 LEU middle . . 22 A 22 GLY middle . false 23 A 23 ILE middle . . 24 A 24 GLY middle . false 25 A 25 LEU middle . . 26 A 26 PHE middle . . 27 A 27 ILE middle . . 28 A 28 ARG middle . . 29 A 29 ARG middle . . 30 A 30 ARG middle . . 31 A 31 HIS middle . . 32 A 32 ILE middle . . 33 A 33 VAL middle . . 34 A 34 ARG middle . . 35 A 35 LYS middle . . 36 A 36 ARG middle . . 37 A 37 THR middle . . 38 A 38 LEU middle . . 39 A 39 ARG middle . . 40 A 40 ARG middle . . 41 A 41 LEU middle . . 42 A 42 LEU middle . . 43 A 43 GLN middle . . 44 A 44 GLU middle . . 45 A 45 ARG middle . . 46 A 46 GLU middle . . 47 A 47 LEU middle . . 48 A 48 VAL middle . . 49 A 49 GLU middle . . 50 A 50 PRO middle . false 51 A 51 LEU middle . . 52 A 52 THR middle . . 53 A 53 PRO middle . false 54 A 54 SER middle . . 55 A 55 GLY middle . false 56 A 56 GLU middle . . 57 A 57 LYS middle . . 58 A 58 LEU middle . . 59 A 59 TRP middle . . 60 A 60 SER end . . 61 B 61 LYS start . . 62 B 62 ILE middle . . 63 B 63 PRO middle . false 64 B 64 SER middle . . 65 B 65 ILE middle . . 66 B 66 ALA middle . . 67 B 67 THR middle . . 68 B 68 GLY middle . false 69 B 69 LEU middle . . 70 B 70 VAL middle . . 71 B 71 GLY middle . false 72 B 72 ALA middle . . 73 B 73 LEU middle . . 74 B 74 LEU middle . . 75 B 75 LEU middle . . 76 B 76 LEU middle . . 77 B 77 LEU middle . . 78 B 78 VAL middle . . 79 B 79 VAL middle . . 80 B 80 ALA middle . . 81 B 81 LEU middle . . 82 B 82 GLY middle . false 83 B 83 ILE middle . . 84 B 84 GLY middle . false 85 B 85 LEU middle . . 86 B 86 PHE middle . . 87 B 87 ILE middle . . 88 B 88 ARG middle . . 89 B 89 ARG middle . . 90 B 90 ARG middle . . 91 B 91 HIS middle . . 92 B 92 ILE middle . . 93 B 93 VAL middle . . 94 B 94 ARG middle . . 95 B 95 LYS middle . . 96 B 96 ARG middle . . 97 B 97 THR middle . . 98 B 98 LEU middle . . 99 B 99 ARG middle . . 100 B 100 ARG middle . . 101 B 101 LEU middle . . 102 B 102 LEU middle . . 103 B 103 GLN middle . . 104 B 104 GLU middle . . 105 B 105 ARG middle . . 106 B 106 GLU middle . . 107 B 107 LEU middle . . 108 B 108 VAL middle . . 109 B 109 GLU middle . . 110 B 110 PRO middle . false 111 B 111 LEU middle . . 112 B 112 THR middle . . 113 B 113 PRO middle . false 114 B 114 SER middle . . 115 B 115 GLY middle . false 116 B 116 GLU middle . . 117 B 117 LYS middle . . 118 B 118 LEU middle . . 119 B 119 TRP middle . . 120 B 120 SER 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 LYS C C 13 176.073 0.200 A 1 LYS CA C 13 63.472 0.200 A 1 LYS CB C 13 31.915 0.200 A 2 ILE H H 1 7.664 0.040 A 2 ILE HA H 1 4.378 0.040 A 2 ILE HB H 1 1.890 0.040 A 2 ILE HD1% H 1 0.670 0.040 A 2 ILE HG1y H 1 1.593 0.040 A 2 ILE HG2% H 1 0.841 0.040 A 2 ILE CA C 13 57.034 0.200 A 2 ILE CB C 13 43.310 0.200 A 2 ILE CD1 C 13 13.854 0.200 A 2 ILE CG2 C 13 17.839 0.200 A 2 ILE N N 15 127.991 0.150 A 3 PRO HA H 1 4.348 0.040 A 3 PRO HBx H 1 1.820 0.040 A 3 PRO HDy H 1 3.673 0.040 A 3 PRO HGy H 1 2.229 0.040 A 3 PRO CA C 13 63.373 0.200 A 3 PRO CB C 13 32.206 0.200 A 3 PRO CD C 13 50.814 0.200 A 3 PRO CG C 13 27.264 0.200 A 4 SER HA H 1 4.348 0.040 A 4 SER HBy H 1 3.779 0.040 A 4 SER C C 13 175.984 0.200 A 4 SER CA C 13 59.529 0.200 A 4 SER CB C 13 63.804 0.200 A 5 ILE H H 1 8.271 0.040 A 5 ILE HA H 1 3.996 0.040 A 5 ILE HB H 1 1.884 0.040 A 5 ILE HD1% H 1 0.796 0.040 A 5 ILE HG1y H 1 1.186 0.040 A 5 ILE HG2% H 1 0.842 0.040 A 5 ILE C C 13 176.210 0.200 A 5 ILE CA C 13 62.595 0.200 A 5 ILE CB C 13 38.248 0.200 A 5 ILE CD1 C 13 13.697 0.200 A 5 ILE CG1 C 13 28.383 0.200 A 5 ILE CG2 C 13 17.697 0.200 A 5 ILE N N 15 120.706 0.150 A 6 ALA H H 1 7.928 0.040 A 6 ALA HA H 1 4.107 0.040 A 6 ALA HB% H 1 1.340 0.040 A 6 ALA C C 13 178.346 0.200 A 6 ALA CA C 13 54.832 0.200 A 6 ALA CB C 13 19.276 0.200 A 6 ALA N N 15 123.151 0.150 A 7 THR H H 1 7.753 0.040 A 7 THR HA H 1 4.146 0.040 A 7 THR HB H 1 3.773 0.040 A 7 THR HG2% H 1 1.152 0.040 A 7 THR C C 13 176.776 0.200 A 7 THR CA C 13 66.156 0.200 A 7 THR CB C 13 68.443 0.200 A 7 THR CG2 C 13 22.576 0.200 A 7 THR N N 15 112.925 0.150 A 8 GLY H H 1 8.336 0.040 A 8 GLY HAy H 1 3.675 0.040 A 8 GLY C C 13 174.926 0.200 A 8 GLY CA C 13 47.496 0.200 A 8 GLY N N 15 108.739 0.150 A 9 LEU H H 1 8.048 0.040 A 9 LEU HA H 1 4.017 0.040 A 9 LEU HBy H 1 1.760 0.040 A 9 LEU HDx% H 1 0.702 0.040 A 9 LEU HG H 1 1.786 0.040 A 9 LEU C C 13 178.353 0.200 A 9 LEU CA C 13 58.400 0.200 A 9 LEU CB C 13 41.482 0.200 A 9 LEU CDx C 13 23.832 0.200 A 9 LEU CG C 13 27.114 0.200 A 9 LEU N N 15 121.062 0.150 A 10 VAL H H 1 8.104 0.040 A 10 VAL HA H 1 3.516 0.040 A 10 VAL HB H 1 2.224 0.040 A 10 VAL HGx% H 1 0.964 0.040 A 10 VAL C C 13 177.957 0.200 A 10 VAL CA C 13 67.567 0.200 A 10 VAL CB C 13 31.025 0.200 A 10 VAL CGx C 13 23.432 0.200 A 10 VAL N N 15 117.880 0.150 A 11 GLY H H 1 8.312 0.040 A 11 GLY HAy H 1 3.616 0.040 A 11 GLY C C 13 174.564 0.200 A 11 GLY CA C 13 47.941 0.200 A 11 GLY N N 15 106.151 0.150 A 12 ALA H H 1 8.185 0.040 A 12 ALA HA H 1 4.028 0.040 A 12 ALA HB% H 1 1.399 0.040 A 12 ALA C C 13 178.920 0.200 A 12 ALA CA C 13 55.212 0.341 A 12 ALA CB C 13 18.612 0.211 A 12 ALA N N 15 122.322 0.150 A 13 LEU H H 1 8.069 0.040 A 13 LEU HA H 1 3.892 0.040 A 13 LEU HBy H 1 1.853 0.040 A 13 LEU HDx% H 1 0.848 0.040 A 13 LEU HG H 1 1.561 0.040 A 13 LEU C C 13 178.578 0.200 A 13 LEU CA C 13 58.351 0.200 A 13 LEU CB C 13 41.337 0.200 A 13 LEU CDx C 13 24.998 0.200 A 13 LEU CG C 13 27.221 0.200 A 13 LEU N N 15 116.964 0.150 A 14 LEU H H 1 8.253 0.040 A 14 LEU HA H 1 3.910 0.040 A 14 LEU HBy H 1 1.828 0.040 A 14 LEU HDx% H 1 0.752 0.040 A 14 LEU HG H 1 1.528 0.040 A 14 LEU C C 13 178.524 0.200 A 14 LEU CA C 13 58.489 0.200 A 14 LEU CB C 13 41.311 0.200 A 14 LEU CDx C 13 23.742 0.200 A 14 LEU CG C 13 27.207 0.200 A 14 LEU N N 15 118.111 0.150 A 15 LEU H H 1 8.033 0.040 A 15 LEU HA H 1 3.889 0.040 A 15 LEU HBy H 1 1.720 0.040 A 15 LEU HDx% H 1 0.786 0.040 A 15 LEU C C 13 176.957 0.200 A 15 LEU CA C 13 58.555 0.200 A 15 LEU CB C 13 41.256 0.200 A 15 LEU CDx C 13 23.757 0.200 A 15 LEU N N 15 118.412 0.150 A 16 LEU H H 1 8.332 0.040 A 16 LEU HBy H 1 1.700 0.040 A 16 LEU HDx% H 1 0.887 0.040 A 16 LEU HG H 1 1.460 0.040 A 16 LEU C C 13 178.339 0.200 A 16 LEU CA C 13 58.623 0.200 A 16 LEU CB C 13 41.407 0.200 A 16 LEU CG C 13 26.425 0.200 A 16 LEU N N 15 116.904 0.150 A 17 LEU H H 1 8.126 0.040 A 17 LEU HA H 1 3.913 0.040 A 17 LEU HBy H 1 1.771 0.040 A 17 LEU HDx% H 1 0.820 0.040 A 17 LEU C C 13 178.442 0.200 A 17 LEU CA C 13 58.527 0.200 A 17 LEU CB C 13 41.600 0.200 A 17 LEU CG C 13 26.841 0.200 A 17 LEU N N 15 118.301 0.150 A 18 VAL H H 1 8.045 0.040 A 18 VAL HA H 1 4.066 0.040 A 18 VAL HB H 1 2.215 0.040 A 18 VAL HGx% H 1 1.009 0.040 A 18 VAL C C 13 177.848 0.200 A 18 VAL CA C 13 67.505 0.200 A 18 VAL CB C 13 31.045 0.200 A 18 VAL CGx C 13 23.453 0.200 A 18 VAL N N 15 117.796 0.150 A 19 VAL H H 1 8.182 0.040 A 19 VAL HA H 1 3.483 0.040 A 19 VAL HB H 1 2.213 0.040 A 19 VAL HGx% H 1 0.969 0.040 A 19 VAL C C 13 177.363 0.200 A 19 VAL CA C 13 67.414 0.200 A 19 VAL CB C 13 31.107 0.200 A 19 VAL CGx C 13 23.386 0.200 A 19 VAL N N 15 119.307 0.150 A 20 ALA H H 1 8.512 0.040 A 20 ALA HA H 1 3.911 0.040 A 20 ALA HB% H 1 1.403 0.040 A 20 ALA C C 13 179.329 0.200 A 20 ALA CA C 13 55.860 0.211 A 20 ALA CB C 13 18.228 0.200 A 20 ALA N N 15 121.029 0.150 A 21 LEU H H 1 8.369 0.040 A 21 LEU HA H 1 3.935 0.040 A 21 LEU HBy H 1 1.863 0.040 A 21 LEU HDx% H 1 0.841 0.040 A 21 LEU HG H 1 1.555 0.040 A 21 LEU C C 13 178.913 0.200 A 21 LEU CA C 13 58.314 0.200 A 21 LEU CB C 13 41.427 0.200 A 21 LEU CDx C 13 25.144 0.200 A 21 LEU CG C 13 27.262 0.200 A 21 LEU N N 15 116.949 0.150 A 22 GLY H H 1 8.514 0.040 A 22 GLY HAy H 1 3.649 0.040 A 22 GLY C C 13 175.186 0.200 A 22 GLY CA C 13 48.063 0.200 A 22 GLY N N 15 106.554 0.150 A 23 ILE H H 1 8.561 0.040 A 23 ILE HA H 1 3.725 0.040 A 23 ILE HB H 1 1.974 0.040 A 23 ILE HD1% H 1 0.672 0.040 A 23 ILE HG1y H 1 1.453 0.040 A 23 ILE HG2% H 1 0.820 0.040 A 23 ILE C C 13 178.148 0.200 A 23 ILE CA C 13 65.896 0.200 A 23 ILE CB C 13 37.491 0.200 A 23 ILE CD1 C 13 13.854 0.200 A 23 ILE CG1 C 13 28.304 0.200 A 23 ILE CG2 C 13 17.655 0.200 A 23 ILE N N 15 121.173 0.150 A 24 GLY H H 1 8.504 0.040 A 24 GLY HAy H 1 3.642 0.040 A 24 GLY C C 13 175.322 0.200 A 24 GLY CA C 13 48.072 0.200 A 24 GLY N N 15 107.064 0.040 A 25 LEU H H 1 8.470 0.040 A 25 LEU HA H 1 3.855 0.050 A 25 LEU HBy H 1 1.892 0.040 A 25 LEU HDx% H 1 0.897 0.040 A 25 LEU HG H 1 1.446 0.040 A 25 LEU C C 13 178.817 0.200 A 25 LEU CA C 13 58.334 0.200 A 25 LEU CB C 13 41.680 0.200 A 25 LEU CDx C 13 21.811 0.200 A 25 LEU N N 15 121.163 0.150 A 26 PHE H H 1 8.116 0.040 A 26 PHE HA H 1 4.130 0.040 A 26 PHE HBy H 1 3.145 0.040 A 26 PHE HD2 H 1 7.134 0.040 A 26 PHE C C 13 177.766 0.200 A 26 PHE CA C 13 61.947 0.200 A 26 PHE CB C 13 39.516 0.200 A 26 PHE N N 15 119.922 0.150 A 27 ILE H H 1 8.437 0.040 A 27 ILE HA H 1 3.605 0.040 A 27 ILE HB H 1 2.005 0.040 A 27 ILE HD1% H 1 0.795 0.040 A 27 ILE HG1y H 1 1.345 0.040 A 27 ILE HG2% H 1 0.723 0.040 A 27 ILE C C 13 178.230 0.200 A 27 ILE CA C 13 65.051 0.200 A 27 ILE CB C 13 37.731 0.200 A 27 ILE CD1 C 13 13.707 0.200 A 27 ILE CG1 C 13 27.013 0.200 A 27 ILE CG2 C 13 16.364 0.200 A 27 ILE N N 15 118.375 0.150 A 28 ARG H H 1 7.992 0.040 A 28 ARG HA H 1 4.081 0.040 A 28 ARG HBy H 1 2.001 0.040 A 28 ARG C C 13 178.053 0.200 A 28 ARG CA C 13 58.561 0.200 A 28 ARG CB C 13 29.874 0.200 A 28 ARG N N 15 119.543 0.150 A 29 ARG H H 1 7.859 0.040 A 29 ARG HA H 1 4.088 0.040 A 29 ARG HBy H 1 1.871 0.040 A 29 ARG HDy H 1 3.148 0.040 A 29 ARG HGy H 1 1.668 0.040 A 29 ARG C C 13 177.462 0.200 A 29 ARG CA C 13 58.198 0.200 A 29 ARG CB C 13 29.798 0.200 A 29 ARG CD C 13 43.018 0.200 A 29 ARG CG C 13 27.101 0.200 A 29 ARG N N 15 118.146 0.150 A 30 ARG H H 1 7.713 0.040 A 30 ARG HA H 1 4.056 0.040 A 30 ARG HBy H 1 1.634 0.040 A 30 ARG C C 13 177.066 0.200 A 30 ARG CA C 13 57.870 0.200 A 30 ARG CB C 13 29.847 0.200 A 30 ARG N N 15 118.271 0.150 A 31 HIS H H 1 7.938 0.040 A 31 HIS HA H 1 4.498 0.040 A 31 HIS HBy H 1 3.194 0.040 A 31 HIS C C 13 175.756 0.200 A 31 HIS CA C 13 57.302 0.200 A 31 HIS CB C 13 29.909 0.200 A 31 HIS N N 15 118.215 0.150 A 32 ILE H H 1 7.777 0.040 A 32 ILE HA H 1 3.950 0.040 A 32 ILE HB H 1 1.843 0.040 A 32 ILE HD1% H 1 0.803 0.040 A 32 ILE HG1y H 1 1.136 0.040 A 32 ILE HG2% H 1 0.901 0.040 A 32 ILE C C 13 176.861 0.200 A 32 ILE CA C 13 62.773 0.200 A 32 ILE CB C 13 38.340 0.200 A 32 ILE CD1 C 13 13.161 0.200 A 32 ILE CG1 C 13 27.347 0.200 A 32 ILE CG2 C 13 17.549 0.200 A 32 ILE N N 15 120.536 0.150 A 33 VAL H H 1 7.937 0.040 A 33 VAL HA H 1 3.935 0.040 A 33 VAL HB H 1 2.057 0.040 A 33 VAL HGx% H 1 0.903 0.040 A 33 VAL C C 13 176.438 0.200 A 33 VAL CA C 13 63.444 0.233 A 33 VAL CB C 13 32.271 0.200 A 33 VAL CGx C 13 21.699 0.200 A 33 VAL N N 15 121.940 0.150 A 34 ARG H H 1 7.942 0.040 A 34 ARG HA H 1 3.945 0.040 A 34 ARG HBy H 1 1.749 0.040 A 34 ARG HDy H 1 2.840 0.040 A 34 ARG C C 13 176.291 0.200 A 34 ARG CA C 13 55.683 0.200 A 34 ARG CB C 13 30.456 0.200 A 34 ARG CD C 13 41.959 0.200 A 34 ARG N N 15 122.674 0.150 A 35 LYS H H 1 8.004 0.040 A 35 LYS HA H 1 4.194 0.040 A 35 LYS HBy H 1 1.609 0.040 A 35 LYS C C 13 176.264 0.200 A 35 LYS CA C 13 56.610 0.200 A 35 LYS CB C 13 30.291 0.200 A 35 LYS N N 15 122.637 0.150 A 36 ARG H H 1 8.167 0.040 A 36 ARG HA H 1 4.214 0.040 A 36 ARG HBy H 1 1.996 0.040 A 36 ARG C C 13 177.070 0.200 A 36 ARG CA C 13 56.979 0.200 A 36 ARG CB C 13 30.189 0.200 A 36 ARG N N 15 120.653 0.150 A 37 THR H H 1 7.919 0.040 A 37 THR HA H 1 4.108 0.040 A 37 THR HB H 1 3.941 0.040 A 37 THR HG2% H 1 1.142 0.040 A 37 THR C C 13 174.940 0.200 A 37 THR CA C 13 63.600 0.200 A 37 THR CB C 13 70.087 0.200 A 37 THR CG2 C 13 22.572 0.200 A 37 THR N N 15 115.490 0.150 A 38 LEU H H 1 8.094 0.040 A 38 LEU HA H 1 4.165 0.040 A 38 LEU HBy H 1 1.551 0.040 A 38 LEU HDx% H 1 0.837 0.040 A 38 LEU C C 13 176.817 0.200 A 38 LEU CA C 13 56.663 0.200 A 38 LEU CB C 13 42.195 0.280 A 38 LEU CDx C 13 23.780 0.200 A 38 LEU CG C 13 26.950 0.280 A 38 LEU N N 15 123.746 0.150 A 39 ARG H H 1 7.747 0.040 A 39 ARG HA H 1 4.150 0.040 A 39 ARG HBy H 1 1.708 0.040 A 39 ARG HDy H 1 3.242 0.040 A 39 ARG HGy H 1 1.349 0.040 A 39 ARG C C 13 176.790 0.200 A 39 ARG CA C 13 56.993 0.200 A 39 ARG CB C 13 29.753 0.200 A 39 ARG CG C 13 24.975 0.200 A 39 ARG N N 15 118.747 0.150 A 40 ARG H H 1 8.001 0.040 A 40 ARG HA H 1 4.198 0.040 A 40 ARG HBy H 1 1.803 0.040 A 40 ARG HDy H 1 3.122 0.040 A 40 ARG HGy H 1 1.597 0.040 A 40 ARG C C 13 176.971 0.200 A 40 ARG CA C 13 56.828 0.200 A 40 ARG CB C 13 30.258 0.200 A 40 ARG CD C 13 43.358 0.200 A 40 ARG CG C 13 27.169 0.200 A 40 ARG N N 15 120.056 0.150 A 41 LEU H H 1 8.004 0.040 A 41 LEU HA H 1 4.146 0.040 A 41 LEU HBy H 1 1.682 0.040 A 41 LEU HDx% H 1 0.798 0.040 A 41 LEU HG H 1 1.725 0.040 A 41 LEU C C 13 176.681 0.200 A 41 LEU CA C 13 56.244 0.200 A 41 LEU CB C 13 42.051 0.200 A 41 LEU CDx C 13 24.979 0.200 A 41 LEU CG C 13 27.095 0.200 A 41 LEU N N 15 121.814 0.150 A 42 LEU H H 1 7.990 0.040 A 42 LEU HA H 1 4.213 0.040 A 42 LEU HBy H 1 1.551 0.040 A 42 LEU HDx% H 1 0.891 0.040 A 42 LEU C C 13 177.251 0.200 A 42 LEU CA C 13 56.181 0.200 A 42 LEU CB C 13 42.265 0.200 A 42 LEU CDx C 13 24.745 0.200 A 42 LEU CG C 13 26.916 0.200 A 42 LEU N N 15 122.506 0.150 A 43 GLN H H 1 8.246 0.040 A 43 GLN HA H 1 4.115 0.040 A 43 GLN HBy H 1 1.989 0.040 A 43 GLN HGy H 1 2.273 0.040 A 43 GLN C C 13 176.585 0.200 A 43 GLN CA C 13 56.063 0.200 A 43 GLN CB C 13 29.470 0.200 A 43 GLN CG C 13 34.060 0.200 A 43 GLN N N 15 120.716 0.150 A 44 GLU H H 1 8.073 0.040 A 44 GLU HA H 1 4.159 0.040 A 44 GLU HBy H 1 1.617 0.040 A 44 GLU HGy H 1 2.262 0.040 A 44 GLU C C 13 176.916 0.200 A 44 GLU CA C 13 56.561 0.200 A 44 GLU CB C 13 30.306 0.200 A 44 GLU CG C 13 36.440 0.200 A 44 GLU N N 15 121.318 0.150 A 45 ARG H H 1 7.953 0.040 A 45 ARG HA H 1 4.186 0.040 A 45 ARG HBy H 1 1.824 0.040 A 45 ARG HDy H 1 3.215 0.040 A 45 ARG HGy H 1 1.278 0.040 A 45 ARG C C 13 177.653 0.200 A 45 ARG CA C 13 57.486 0.200 A 45 ARG CB C 13 30.299 0.200 A 45 ARG CD C 13 43.031 0.200 A 45 ARG CG C 13 24.940 0.200 A 45 ARG N N 15 120.626 0.150 A 46 GLU H H 1 8.070 0.040 A 46 GLU HA H 1 4.162 0.040 A 46 GLU HBy H 1 1.793 0.040 A 46 GLU HGy H 1 2.148 0.040 A 46 GLU C C 13 176.261 0.200 A 46 GLU CA C 13 56.959 0.200 A 46 GLU CB C 13 30.337 0.200 A 46 GLU CG C 13 36.299 0.200 A 46 GLU N N 15 120.256 0.153 A 47 LEU H H 1 8.065 0.040 A 47 LEU HA H 1 4.282 0.040 A 47 LEU HBy H 1 1.558 0.040 A 47 LEU C C 13 177.005 0.200 A 47 LEU CA C 13 55.520 0.200 A 47 LEU CB C 13 42.168 0.200 A 47 LEU N N 15 123.451 0.150 A 48 VAL H H 1 7.796 0.040 A 48 VAL HA H 1 4.096 0.040 A 48 VAL HB H 1 1.970 0.040 A 48 VAL HGx% H 1 0.837 0.040 A 48 VAL C C 13 175.885 0.200 A 48 VAL CA C 13 62.191 0.200 A 48 VAL CB C 13 32.969 0.200 A 48 VAL CGx C 13 20.644 0.200 A 48 VAL N N 15 119.974 0.150 A 49 GLU H H 1 8.188 0.040 A 49 GLU HA H 1 4.509 0.040 A 49 GLU HBy H 1 1.989 0.040 A 49 GLU HGy H 1 2.188 0.040 A 49 GLU CA C 13 54.618 0.200 A 49 GLU CB C 13 29.785 0.200 A 49 GLU CG C 13 36.281 0.200 A 49 GLU N N 15 125.448 0.150 A 50 PRO HA H 1 4.418 0.040 A 50 PRO HBx H 1 2.315 0.040 A 50 PRO HDy H 1 3.567 0.040 A 50 PRO HGy H 1 1.889 0.040 A 50 PRO CA C 13 63.417 0.200 A 50 PRO CB C 13 32.306 0.200 A 50 PRO CD C 13 50.816 0.200 A 50 PRO CG C 13 27.453 0.200 A 51 LEU H H 1 8.133 0.040 A 51 LEU HA H 1 4.357 0.040 A 51 LEU HBy H 1 1.449 0.040 A 51 LEU C C 13 177.565 0.200 A 51 LEU CA C 13 55.356 0.200 A 51 LEU CB C 13 42.397 0.200 A 51 LEU N N 15 121.670 0.150 A 52 THR H H 1 7.990 0.040 A 52 THR HA H 1 4.536 0.040 A 52 THR HB H 1 4.140 0.040 A 52 THR HG2% H 1 1.146 0.040 A 52 THR CA C 13 59.829 0.200 A 52 THR CB C 13 69.776 0.200 A 52 THR CG2 C 13 21.637 0.200 A 52 THR N N 15 116.165 0.150 A 53 PRO HA H 1 4.573 0.040 A 53 PRO HBx H 1 2.187 0.040 A 53 PRO HDy H 1 3.729 0.040 A 53 PRO HGy H 1 1.845 0.040 A 53 PRO C C 13 177.264 0.200 A 53 PRO CA C 13 63.591 0.200 A 53 PRO CB C 13 32.080 0.200 A 53 PRO CD C 13 51.086 0.200 A 53 PRO CG C 13 27.439 0.200 A 54 SER H H 1 8.162 0.040 A 54 SER HA H 1 4.380 0.040 A 54 SER HBy H 1 3.803 0.040 A 54 SER C C 13 175.407 0.200 A 54 SER CA C 13 58.774 0.200 A 54 SER CB C 13 63.925 0.200 A 54 SER N N 15 115.163 0.150 A 55 GLY H H 1 8.242 0.040 A 55 GLY HAy H 1 3.915 0.040 A 55 GLY C C 13 174.261 0.200 A 55 GLY CA C 13 45.723 0.200 A 55 GLY N N 15 110.787 0.150 A 56 GLU H H 1 8.019 0.040 A 56 GLU HA H 1 4.196 0.040 A 56 GLU HBy H 1 1.900 0.040 A 56 GLU CA C 13 56.986 0.200 A 56 GLU CB C 13 30.148 0.200 A 56 GLU N N 15 120.524 0.150 A 57 LYS H H 1 8.184 0.040 A 57 LYS HA H 1 4.242 0.040 A 57 LYS HBy H 1 2.035 0.040 A 57 LYS C C 13 177.851 0.200 A 57 LYS CA C 13 57.479 0.200 A 57 LYS CB C 13 30.052 0.200 A 57 LYS N N 15 120.875 0.150 A 58 LEU H H 1 7.939 0.030 A 58 LEU HA H 1 4.230 0.040 A 58 LEU HBy H 1 1.668 0.040 A 58 LEU CA C 13 56.343 0.200 A 58 LEU CB C 13 41.893 0.200 A 58 LEU N N 15 120.349 0.150 A 59 TRP H H 1 8.036 0.040 A 59 TRP HA H 1 4.604 0.040 A 59 TRP HBy H 1 3.086 0.040 A 59 TRP HE1 H 1 10.113 0.040 A 59 TRP C C 13 175.800 0.200 A 59 TRP CA C 13 56.816 0.200 A 59 TRP CB C 13 29.371 0.200 A 59 TRP N N 15 119.202 0.150 A 59 TRP NE1 N 15 129.707 0.150 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 B 72 ALA HB1 A 12 ALA HA 1.0 1.6 5.0 2 2 A 12 ALA HB% B 72 ALA HA 1.0 1.6 5.0 3 3 B 72 ALA HB1 A 15 LEU HDx% 1.0 1.6 5.0 4 3 B 72 ALA HB1 A 15 LEU HD21 1.0 1.6 5.0 5 4 A 12 ALA HB% B 75 LEU HD11 1.0 1.6 5.0 6 4 A 12 ALA HB% B 75 LEU HD21 1.0 1.6 5.0 7 5 B 72 ALA HB1 A 16 LEU HDx% 1.0 1.6 5.0 8 5 B 72 ALA HB1 A 16 LEU HD21 1.0 1.6 5.0 9 6 A 12 ALA HB% B 76 LEU HD11 1.0 1.6 5.0 10 6 A 12 ALA HB% B 76 LEU HD21 1.0 1.6 5.0 11 7 A 19 VAL HGx% B 76 LEU HD11 1.0 1.6 5.0 12 7 A 19 VAL HG21 B 76 LEU HD11 1.0 1.6 5.0 13 7 B 76 LEU HD21 A 19 VAL HG21 1.0 1.6 5.0 14 7 B 76 LEU HD21 A 19 VAL HGx% 1.0 1.6 5.0 15 8 A 16 LEU HD21 B 79 VAL HG21 1.0 1.6 5.0 16 8 A 16 LEU HDx% B 79 VAL HG21 1.0 1.6 5.0 17 8 B 79 VAL HG11 A 16 LEU HDx% 1.0 1.6 5.0 18 8 A 16 LEU HD21 B 79 VAL HG11 1.0 1.6 5.0 19 9 A 12 ALA HB% B 73 LEU H 1.0 1.6 5.0 20 10 B 72 ALA HB1 A 13 LEU H 1.0 1.6 5.0 21 11 B 72 ALA H A 15 LEU HDx% 1.0 1.6 5.0 22 11 A 15 LEU HD21 B 72 ALA H 1.0 1.6 5.0 23 12 A 12 ALA H B 75 LEU HD11 1.0 1.6 5.0 24 12 B 75 LEU HD21 A 12 ALA H 1.0 1.6 5.0 25 13 A 15 LEU HD21 B 76 LEU HD11 1.0 1.6 5.0 26 13 A 15 LEU HDx% B 76 LEU HD11 1.0 1.6 5.0 27 13 B 76 LEU HD21 A 15 LEU HDx% 1.0 1.6 5.0 28 13 A 15 LEU HD21 B 76 LEU HD21 1.0 1.6 5.0 29 14 A 16 LEU HDx% B 75 LEU HD11 1.0 1.6 5.0 30 14 A 16 LEU HD21 B 75 LEU HD11 1.0 1.6 5.0 31 14 B 75 LEU HD21 A 16 LEU HDx% 1.0 1.6 5.0 32 14 B 75 LEU HD21 A 16 LEU HD21 1.0 1.6 5.0 33 15 A 15 LEU HD21 B 73 LEU HBy 1.0 1.6 5.0 34 15 A 15 LEU HDx% B 73 LEU HBy 1.0 1.6 5.0 35 15 B 73 LEU HBx A 15 LEU HDx% 1.0 1.6 5.0 36 15 A 15 LEU HD21 B 73 LEU HBx 1.0 1.6 5.0 37 16 A 13 LEU HBy B 75 LEU HD11 1.0 1.6 5.0 38 16 B 75 LEU HD21 A 13 LEU HBy 1.0 1.6 5.0 39 16 B 75 LEU HD21 A 13 LEU HBx 1.0 1.6 5.0 40 16 A 13 LEU HBx B 75 LEU HD11 1.0 1.6 5.0 41 17 B 72 ALA HA A 15 LEU HD21 1.0 1.6 5.0 42 17 B 72 ALA HA A 15 LEU HDx% 1.0 1.6 5.0 43 18 A 12 ALA HA B 75 LEU HD21 1.0 1.6 5.0 44 18 A 12 ALA HA B 75 LEU HD11 1.0 1.6 5.0 45 19 A 11 GLY HAx B 73 LEU HD11 1.0 1.6 5.0 46 19 A 11 GLY HAy B 73 LEU HD11 1.0 1.6 5.0 47 19 B 73 LEU HD21 A 11 GLY HAy 1.0 1.6 5.0 48 19 B 73 LEU HD21 A 11 GLY HAx 1.0 1.6 5.0 49 20 A 13 LEU HD21 B 71 GLY HAx 1.0 1.6 5.0 50 20 A 13 LEU HDx% B 71 GLY HAx 1.0 1.6 5.0 51 20 B 71 GLY HAy A 13 LEU HDx% 1.0 1.6 5.0 52 20 A 13 LEU HD21 B 71 GLY HAy 1.0 1.6 5.0 53 21 A 15 LEU HBy B 73 LEU HD11 1.0 1.6 5.0 54 21 A 15 LEU HBx B 73 LEU HD11 1.0 1.6 5.0 55 21 B 73 LEU HD21 A 15 LEU HBy 1.0 1.6 5.0 56 21 B 73 LEU HD21 A 15 LEU HBx 1.0 1.6 5.0 57 22 A 13 LEU HD21 B 75 LEU HBy 1.0 1.6 5.0 58 22 B 75 LEU HBx A 13 LEU HDx% 1.0 1.6 5.0 59 22 A 13 LEU HD21 B 75 LEU HBx 1.0 1.6 5.0 60 22 A 13 LEU HDx% B 75 LEU HBy 1.0 1.6 5.0 61 23 A 41 LEU HBy B 101 LEU HD11 1.0 1.6 5.0 62 23 A 41 LEU HBx B 101 LEU HD11 1.0 1.6 5.0 63 23 B 101 LEU HD21 A 41 LEU HBy 1.0 1.6 5.0 64 23 A 41 LEU HBx B 101 LEU HD21 1.0 1.6 5.0 65 24 A 41 LEU HD21 B 101 LEU HBy 1.0 1.6 5.0 66 24 A 41 LEU HDx% B 101 LEU HBy 1.0 1.6 5.0 67 24 B 101 LEU HBx A 41 LEU HDx% 1.0 1.6 5.0 68 24 B 101 LEU HBx A 41 LEU HD21 1.0 1.6 5.0 69 25 A 38 LEU HBx B 102 LEU HD11 1.0 1.6 5.0 70 25 A 38 LEU HBy B 102 LEU HD11 1.0 1.6 5.0 71 25 B 102 LEU HD21 A 38 LEU HBy 1.0 1.6 5.0 72 25 A 38 LEU HBx B 102 LEU HD21 1.0 1.6 5.0 73 26 A 42 LEU HD21 B 98 LEU HBy 1.0 1.6 5.0 74 26 B 98 LEU HBx A 42 LEU HDx% 1.0 1.6 5.0 75 26 B 98 LEU HBx A 42 LEU HD21 1.0 1.6 5.0 76 26 A 42 LEU HDx% B 98 LEU HBy 1.0 1.6 5.0 77 27 A 45 ARG HGy B 98 LEU HD11 1.0 1.6 5.0 78 27 A 45 ARG HGx B 98 LEU HD11 1.0 1.6 5.0 79 27 B 98 LEU HD21 A 45 ARG HGx 1.0 1.6 5.0 80 27 A 45 ARG HGy B 98 LEU HD21 1.0 1.6 5.0 81 28 A 38 LEU HD21 B 105 ARG HGx 1.0 1.6 5.0 82 28 A 38 LEU HDx% B 105 ARG HGx 1.0 1.6 5.0 83 28 B 105 ARG HGy A 38 LEU HDx% 1.0 1.6 5.0 84 28 B 105 ARG HGy A 38 LEU HD21 1.0 1.6 5.0 85 29 A 38 LEU HDx% B 101 LEU HBy 1.0 1.5 3.0 86 29 B 101 LEU HBx A 38 LEU HDx% 1.0 1.5 3.0 87 29 B 101 LEU HBx A 38 LEU HD21 1.0 1.5 3.0 88 29 A 38 LEU HD21 B 101 LEU HBy 1.0 1.5 3.0 89 30 A 41 LEU HBy B 98 LEU HD11 1.0 1.5 3.0 90 30 A 41 LEU HBx B 98 LEU HD11 1.0 1.5 3.0 91 30 B 98 LEU HD21 A 41 LEU HBy 1.0 1.5 3.0 92 30 A 41 LEU HBx B 98 LEU HD21 1.0 1.5 3.0 93 31 B 98 LEU HD21 A 42 LEU HA 1.0 1.6 5.0 94 31 A 42 LEU HA B 98 LEU HD11 1.0 1.6 5.0 95 32 A 38 LEU HD21 B 102 LEU HBy 1.0 1.6 5.0 96 32 A 38 LEU HDx% B 102 LEU HBy 1.0 1.6 5.0 97 32 B 102 LEU HBx A 38 LEU HDx% 1.0 1.6 5.0 98 32 A 38 LEU HD21 B 102 LEU HBx 1.0 1.6 5.0 99 33 A 41 LEU HDx% B 105 ARG HDx 1.0 1.6 5.0 100 33 A 41 LEU HD21 B 105 ARG HDx 1.0 1.6 5.0 101 33 B 105 ARG HDy A 41 LEU HDx% 1.0 1.6 5.0 102 33 A 41 LEU HD21 B 105 ARG HDy 1.0 1.6 5.0 103 34 A 45 ARG HDx B 101 LEU HD11 1.0 1.6 5.0 104 34 A 45 ARG HDy B 101 LEU HD11 1.0 1.6 5.0 105 34 B 101 LEU HD21 A 45 ARG HDx 1.0 1.6 5.0 106 34 B 101 LEU HD21 A 45 ARG HDy 1.0 1.6 5.0 107 35 A 41 LEU HD21 B 105 ARG HBy 1.0 1.5 3.0 108 35 B 105 ARG HBx A 41 LEU HDx% 1.0 1.5 3.0 109 35 A 41 LEU HD21 B 105 ARG HBx 1.0 1.5 3.0 110 35 A 41 LEU HDx% B 105 ARG HBy 1.0 1.5 3.0 111 36 A 45 ARG HBx B 101 LEU HD11 1.0 1.5 3.0 112 36 A 45 ARG HBy B 101 LEU HD11 1.0 1.5 3.0 113 36 B 101 LEU HD21 A 45 ARG HBy 1.0 1.5 3.0 114 36 B 101 LEU HD21 A 45 ARG HBx 1.0 1.5 3.0 115 37 A 41 LEU HD21 B 105 ARG HGx 1.0 1.5 3.0 116 37 A 41 LEU HDx% B 105 ARG HGx 1.0 1.5 3.0 117 37 B 105 ARG HGy A 41 LEU HDx% 1.0 1.5 3.0 118 37 A 41 LEU HD21 B 105 ARG HGy 1.0 1.5 3.0 119 38 A 45 ARG HGx B 101 LEU HD11 1.0 1.5 3.0 120 38 A 45 ARG HGy B 101 LEU HD11 1.0 1.5 3.0 121 38 B 101 LEU HD21 A 45 ARG HGx 1.0 1.5 3.0 122 38 B 101 LEU HD21 A 45 ARG HGy 1.0 1.5 3.0 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _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 2 ILE HA A 2 ILE H 1.0 1.8 5.0 2 2 A 2 ILE H A 2 ILE HG1x 1.0 1.8 5.0 3 2 A 2 ILE H A 2 ILE HG2% 1.0 1.8 5.0 4 2 A 2 ILE H A 2 ILE HG1y 1.0 1.8 5.0 5 3 A 4 SER HA A 5 ILE H 1.0 1.8 5.0 6 4 A 4 SER HA A 7 THR H 1.0 1.8 5.0 7 5 A 5 ILE H A 5 ILE HA 1.0 1.8 5.0 8 6 A 5 ILE HA A 8 GLY H 1.0 1.8 5.0 9 7 A 5 ILE H A 5 ILE HB 1.0 1.8 5.0 10 8 A 5 ILE HB A 6 ALA H 1.0 1.8 5.0 11 9 A 5 ILE H A 5 ILE HD1% 1.0 1.8 5.0 12 10 A 5 ILE H A 5 ILE HG1x 1.0 1.8 5.0 13 10 A 5 ILE H A 5 ILE HG2% 1.0 1.8 5.0 14 10 A 5 ILE H A 5 ILE HG1y 1.0 1.8 5.0 15 11 A 7 THR H A 6 ALA H 1.0 1.8 5.0 16 12 A 6 ALA H A 6 ALA HA 1.0 1.8 3.3 17 13 A 6 ALA H A 6 ALA HB% 1.0 1.8 3.3 18 14 A 7 THR H A 6 ALA HB% 1.0 1.8 5.0 19 15 A 7 THR H A 8 GLY H 1.0 1.8 5.0 20 16 A 7 THR H A 7 THR HA 1.0 1.8 3.3 21 17 A 8 GLY H A 7 THR HA 1.0 1.8 5.0 22 18 A 7 THR H A 7 THR HB 1.0 1.8 3.3 23 19 A 7 THR H A 7 THR HG2% 1.0 1.8 5.0 24 19 A 7 THR H A 7 THR HG1 1.0 1.8 5.0 25 20 A 8 GLY H A 6 ALA H 1.0 1.8 5.0 26 21 A 7 THR H A 8 GLY H 1.0 1.8 3.3 27 22 A 8 GLY H A 9 LEU H 1.0 1.8 5.0 28 23 A 8 GLY H A 8 GLY HAx 1.0 1.8 3.3 29 23 A 8 GLY H A 8 GLY HAy 1.0 1.8 3.3 30 24 A 8 GLY H A 9 LEU H 1.0 1.8 5.0 31 25 A 12 ALA H A 9 LEU H 1.0 1.8 5.0 32 26 A 9 LEU HA A 10 VAL H 1.0 1.8 5.0 33 27 A 13 LEU H A 9 LEU HA 1.0 1.8 5.0 34 28 A 10 VAL H A 9 LEU HBx 1.0 1.8 5.0 35 29 A 9 LEU H A 9 LEU HG 1.0 1.8 5.0 36 30 A 8 GLY H A 10 VAL H 1.0 1.8 5.0 37 31 A 10 VAL H A 10 VAL HA 1.0 1.8 5.0 38 32 A 13 LEU H A 10 VAL HA 1.0 1.8 5.0 39 33 A 10 VAL HA A 14 LEU H 1.0 2.8 6.0 40 34 A 10 VAL H A 10 VAL HB 1.0 1.8 5.0 41 35 A 10 VAL H A 10 VAL HG21 1.0 1.8 5.0 42 35 A 10 VAL H A 10 VAL HGx% 1.0 1.8 5.0 43 36 A 10 VAL H A 11 GLY H 1.0 1.8 5.0 44 37 A 11 GLY H A 11 GLY HAx 1.0 1.8 5.0 45 37 A 11 GLY H A 11 GLY HAy 1.0 1.8 5.0 46 38 A 14 LEU H A 11 GLY HAx 1.0 1.8 5.0 47 38 A 14 LEU H A 11 GLY HAy 1.0 1.8 5.0 48 39 A 12 ALA HA A 15 LEU H 1.0 1.8 3.3 49 40 A 12 ALA HB% A 12 ALA H 1.0 1.8 5.0 50 41 A 12 ALA HB% A 13 LEU H 1.0 1.8 5.0 51 42 A 13 LEU H A 12 ALA H 1.0 1.8 5.0 52 43 A 13 LEU H A 14 LEU H 1.0 1.8 3.3 53 44 A 13 LEU H A 13 LEU HA 1.0 1.8 5.0 54 45 A 13 LEU H A 13 LEU HBx 1.0 1.8 3.3 55 46 A 13 LEU HBx A 14 LEU H 1.0 1.8 3.3 56 47 A 13 LEU H A 13 LEU HDx% 1.0 1.8 5.0 57 47 A 13 LEU H A 13 LEU HD21 1.0 1.8 5.0 58 48 A 13 LEU H A 13 LEU HG 1.0 1.8 5.0 59 49 A 13 LEU H A 14 LEU H 1.0 1.8 5.0 60 50 A 14 LEU H A 15 LEU H 1.0 1.8 5.0 61 51 A 14 LEU H A 14 LEU HA 1.0 1.8 5.0 62 52 A 15 LEU H A 14 LEU HA 1.0 1.8 3.3 63 53 A 14 LEU H A 14 LEU HBx 1.0 1.8 3.3 64 54 A 15 LEU H A 14 LEU HBx 1.0 1.8 5.0 65 55 A 14 LEU H A 14 LEU HD21 1.0 1.8 3.3 66 55 A 14 LEU H A 14 LEU HDx% 1.0 1.8 3.3 67 56 A 14 LEU H A 14 LEU HG 1.0 1.8 5.0 68 57 A 14 LEU H A 15 LEU H 1.0 1.8 3.3 69 58 A 15 LEU H A 15 LEU HA 1.0 1.8 3.3 70 59 A 15 LEU HBx A 15 LEU H 1.0 1.8 3.3 71 60 A 17 LEU H A 16 LEU H 1.0 1.8 5.0 72 61 A 17 LEU H A 17 LEU HA 1.0 1.8 2.8 73 62 A 17 LEU H A 17 LEU HBx 1.0 1.8 2.8 74 63 A 18 VAL H A 19 VAL H 1.0 1.8 3.3 75 64 A 19 VAL H A 18 VAL HB 1.0 1.8 5.0 76 65 A 19 VAL H A 19 VAL HB 1.0 1.8 5.0 77 66 A 19 VAL H A 19 VAL HG21 1.0 1.8 3.3 78 66 A 19 VAL HGx% A 19 VAL H 1.0 1.8 3.3 79 67 A 19 VAL H A 20 ALA H 1.0 1.8 5.0 80 68 A 20 ALA H A 20 ALA HA 1.0 1.8 5.0 81 69 A 20 ALA H A 20 ALA HB% 1.0 1.8 5.0 82 70 A 20 ALA H A 21 LEU H 1.0 1.8 5.0 83 71 A 21 LEU H A 21 LEU HA 1.0 1.8 3.3 84 72 A 21 LEU HA A 22 GLY H 1.0 1.8 5.0 85 73 A 22 GLY H A 21 LEU HBx 1.0 1.8 5.0 86 74 A 22 GLY H A 22 GLY HAx 1.0 1.8 5.0 87 74 A 22 GLY H A 22 GLY HAy 1.0 1.8 5.0 88 75 A 23 ILE HA A 26 PHE H 1.0 1.8 5.0 89 76 A 26 PHE H A 23 ILE H 1.0 1.8 5.0 90 77 A 26 PHE H A 26 PHE HA 1.0 1.8 3.3 91 78 A 26 PHE HA A 27 ILE H 1.0 1.8 5.0 92 79 A 27 ILE H A 26 PHE HBx 1.0 1.8 5.0 93 80 A 27 ILE H A 28 ARG H 1.0 1.8 5.0 94 81 A 27 ILE H A 27 ILE HA 1.0 1.8 5.0 95 82 A 27 ILE HA A 30 ARG H 1.0 1.8 5.0 96 83 A 27 ILE HA A 31 HIS H 1.0 1.8 5.0 97 84 A 27 ILE H A 27 ILE HB 1.0 1.8 5.0 98 85 A 27 ILE HB A 29 ARG H 1.0 1.8 5.0 99 86 A 27 ILE H A 27 ILE HG1x 1.0 1.8 5.0 100 86 A 27 ILE H A 27 ILE HG2% 1.0 1.8 5.0 101 86 A 27 ILE H A 27 ILE HG1y 1.0 1.8 5.0 102 87 A 28 ARG H A 28 ARG HA 1.0 1.8 5.0 103 88 A 28 ARG H A 28 ARG HBx 1.0 1.8 5.0 104 89 A 28 ARG H A 29 ARG H 1.0 1.8 5.0 105 90 A 30 ARG H A 29 ARG H 1.0 1.8 5.0 106 91 A 29 ARG H A 29 ARG HA 1.0 1.8 5.0 107 92 A 29 ARG H A 29 ARG HBx 1.0 1.8 5.0 108 93 A 29 ARG H A 29 ARG HDx 1.0 1.8 5.0 109 93 A 29 ARG H A 29 ARG HDy 1.0 1.8 5.0 110 94 A 29 ARG H A 29 ARG HGx 1.0 1.8 5.0 111 94 A 29 ARG H A 29 ARG HGy 1.0 1.8 5.0 112 95 A 30 ARG H A 31 HIS H 1.0 1.8 5.0 113 96 A 30 ARG H A 30 ARG HA 1.0 1.8 5.0 114 97 A 31 HIS H A 30 ARG HA 1.0 1.8 5.0 115 98 A 30 ARG H A 30 ARG HBx 1.0 1.8 5.0 116 99 A 31 HIS H A 32 ILE H 1.0 1.8 5.0 117 100 A 31 HIS H A 31 HIS HA 1.0 1.8 5.0 118 101 A 32 ILE H A 31 HIS HA 1.0 1.8 5.0 119 102 A 31 HIS H A 31 HIS HBx 1.0 1.8 5.0 120 103 A 32 ILE H A 31 HIS HBx 1.0 1.8 5.0 121 104 A 32 ILE H A 32 ILE HA 1.0 1.8 5.0 122 105 A 32 ILE H A 32 ILE HB 1.0 1.8 3.3 123 106 A 32 ILE HB A 33 VAL H 1.0 1.8 5.0 124 107 A 32 ILE H A 32 ILE HD1% 1.0 1.8 5.0 125 108 A 32 ILE H A 32 ILE HG1x 1.0 1.8 5.0 126 108 A 32 ILE H A 32 ILE HG2% 1.0 1.8 5.0 127 108 A 32 ILE H A 32 ILE HG1y 1.0 1.8 5.0 128 109 A 33 VAL H A 33 VAL HA 1.0 1.8 3.3 129 110 A 33 VAL H A 33 VAL HB 1.0 1.8 5.0 130 111 A 33 VAL H A 33 VAL HGx% 1.0 1.8 3.3 131 111 A 33 VAL H A 33 VAL HG21 1.0 1.8 3.3 132 112 A 35 LYS HA A 35 LYS H 1.0 1.8 3.3 133 113 A 35 LYS H A 35 LYS HBx 1.0 1.8 3.3 134 114 A 37 THR H A 38 LEU H 1.0 1.8 5.0 135 115 A 37 THR H A 37 THR HA 1.0 1.8 5.0 136 116 A 38 LEU H A 37 THR HB 1.0 1.8 5.0 137 117 A 37 THR H A 37 THR HG2% 1.0 1.8 5.0 138 117 A 37 THR H A 37 THR HG1 1.0 1.8 5.0 139 118 A 37 THR H A 38 LEU H 1.0 1.8 5.0 140 119 A 38 LEU H A 40 ARG H 1.0 1.8 3.3 141 120 A 38 LEU H A 38 LEU HA 1.0 1.8 2.8 142 121 A 38 LEU HBx A 38 LEU H 1.0 1.8 3.3 143 122 A 38 LEU H A 38 LEU HDx% 1.0 1.8 5.0 144 122 A 38 LEU HD21 A 38 LEU H 1.0 1.8 5.0 145 123 A 40 ARG H A 39 ARG H 1.0 1.8 3.3 146 124 A 39 ARG H A 42 LEU H 1.0 1.8 3.3 147 125 A 39 ARG H A 39 ARG HA 1.0 1.8 5.0 148 126 A 39 ARG H A 39 ARG HDx 1.0 1.8 5.0 149 126 A 39 ARG H A 39 ARG HDy 1.0 1.8 5.0 150 127 A 40 ARG H A 40 ARG HA 1.0 1.8 3.3 151 128 A 40 ARG H A 40 ARG HBx 1.0 1.8 5.0 152 129 A 40 ARG H A 40 ARG HDx 1.0 1.8 5.0 153 129 A 40 ARG H A 40 ARG HDy 1.0 1.8 5.0 154 130 A 40 ARG H A 40 ARG HGx 1.0 1.8 5.0 155 130 A 40 ARG H A 40 ARG HGy 1.0 1.8 5.0 156 131 A 41 LEU HA A 41 LEU H 1.0 1.8 2.8 157 132 A 41 LEU HBx A 41 LEU H 1.0 1.8 3.3 158 133 A 42 LEU H A 42 LEU HA 1.0 1.8 2.8 159 134 A 42 LEU H A 42 LEU HBx 1.0 1.8 3.3 160 135 A 43 GLN H A 44 GLU H 1.0 1.8 5.0 161 136 A 44 GLU H A 44 GLU HA 1.0 1.8 5.0 162 137 A 44 GLU H A 44 GLU HBx 1.0 1.8 5.0 163 138 A 44 GLU H A 45 ARG H 1.0 1.8 5.0 164 139 A 45 ARG H A 48 VAL H 1.0 1.8 5.0 165 140 A 45 ARG H A 45 ARG HA 1.0 1.8 3.3 166 141 A 45 ARG HBx A 45 ARG H 1.0 1.8 3.3 167 142 A 45 ARG H A 45 ARG HDx 1.0 1.8 5.0 168 142 A 45 ARG HDy A 45 ARG H 1.0 1.8 5.0 169 143 A 45 ARG H A 45 ARG HGx 1.0 1.8 5.0 170 143 A 45 ARG HGy A 45 ARG H 1.0 1.8 5.0 171 144 A 45 ARG H A 46 GLU H 1.0 1.8 5.0 172 145 A 46 GLU H A 46 GLU HA 1.0 1.8 3.3 173 146 A 46 GLU H A 46 GLU HBx 1.0 1.8 5.0 174 147 A 47 LEU HA A 47 LEU H 1.0 1.8 5.0 175 148 A 48 VAL H A 47 LEU HA 1.0 1.8 2.8 176 149 A 47 LEU HA A 49 GLU H 1.0 1.8 5.0 177 150 A 47 LEU H A 47 LEU HBx 1.0 1.8 3.3 178 151 A 48 VAL H A 47 LEU HBx 1.0 1.8 5.0 179 152 A 48 VAL H A 48 VAL HA 1.0 1.8 5.0 180 153 A 49 GLU H A 48 VAL HA 1.0 1.8 2.8 181 154 A 48 VAL H A 48 VAL HB 1.0 1.8 5.0 182 155 A 48 VAL H A 48 VAL HGx% 1.0 1.8 3.3 183 155 A 48 VAL H A 48 VAL HG21 1.0 1.8 3.3 184 156 A 48 VAL H A 49 GLU H 1.0 1.8 5.0 185 157 A 49 GLU H A 49 GLU HA 1.0 1.8 3.3 186 158 A 49 GLU H A 49 GLU HBx 1.0 1.8 3.3 187 159 A 49 GLU H A 49 GLU HGx 1.0 1.8 5.0 188 159 A 49 GLU H A 49 GLU HGy 1.0 1.8 5.0 189 160 A 51 LEU HA A 51 LEU H 1.0 1.8 2.8 190 161 A 51 LEU HA A 52 THR H 1.0 1.8 2.8 191 162 A 51 LEU H A 51 LEU HBx 1.0 1.8 3.3 192 163 A 51 LEU H A 52 THR H 1.0 1.8 3.3 193 164 A 52 THR H A 52 THR HA 1.0 1.8 5.0 194 165 A 52 THR H A 52 THR HB 1.0 1.8 5.0 195 166 A 52 THR H A 52 THR HG2% 1.0 1.8 5.0 196 166 A 52 THR H A 52 THR HG1 1.0 1.8 5.0 197 167 A 53 PRO HA A 54 SER H 1.0 1.8 3.3 198 168 A 53 PRO HA A 55 GLY H 1.0 1.8 3.3 199 169 A 54 SER H A 54 SER HA 1.0 1.8 3.3 200 170 A 55 GLY H A 54 SER HA 1.0 1.8 5.0 201 171 A 54 SER H A 54 SER HBx 1.0 1.8 5.0 202 172 A 55 GLY H A 55 GLY HAx 1.0 1.8 3.3 203 172 A 55 GLY H A 55 GLY HAy 1.0 1.8 3.3 204 173 A 58 LEU HA A 58 LEU H 1.0 1.8 2.8 205 174 A 58 LEU H A 58 LEU HBx 1.0 1.8 2.8 206 175 A 8 GLY H A 9 LEU H 1.0 1.8 5.0 207 176 A 10 VAL H A 11 GLY H 1.0 1.8 5.0 208 177 A 10 VAL HA A 11 GLY H 1.0 1.8 3.3 209 178 A 10 VAL HB A 11 GLY H 1.0 1.8 5.0 210 179 A 11 GLY H A 11 GLY HAx 1.0 1.8 3.3 211 179 A 11 GLY H A 11 GLY HAy 1.0 1.8 3.3 212 180 A 12 ALA H A 11 GLY HAx 1.0 1.8 5.0 213 180 A 12 ALA H A 11 GLY HAy 1.0 1.8 5.0 214 181 A 12 ALA HA A 12 ALA H 1.0 1.8 5.0 215 182 A 15 LEU HA A 19 VAL H 1.0 1.8 5.0 216 183 A 17 LEU HBx A 18 VAL H 1.0 1.8 5.0 217 184 A 18 VAL H A 18 VAL HA 1.0 1.8 5.0 218 185 A 18 VAL H A 18 VAL HB 1.0 1.8 5.0 219 186 A 18 VAL H A 18 VAL HGx% 1.0 1.8 3.3 220 186 A 18 VAL H A 18 VAL HG21 1.0 1.8 3.3 221 187 A 19 VAL H A 19 VAL HA 1.0 1.8 5.0 222 188 A 21 LEU HA A 24 GLY H 1.0 1.8 5.0 223 189 A 23 ILE H A 22 GLY HAx 1.0 1.8 5.0 224 189 A 22 GLY HAy A 23 ILE H 1.0 1.8 5.0 225 190 A 26 PHE H A 22 GLY HAx 1.0 1.8 5.0 226 190 A 22 GLY HAy A 26 PHE H 1.0 1.8 5.0 227 191 A 23 ILE HA A 23 ILE H 1.0 1.8 5.0 228 192 A 23 ILE H A 23 ILE HB 1.0 1.8 3.3 229 193 A 24 GLY H A 23 ILE HB 1.0 1.8 5.0 230 194 A 23 ILE H A 23 ILE HG1x 1.0 1.8 5.0 231 194 A 23 ILE H A 23 ILE HG2% 1.0 1.8 5.0 232 194 A 23 ILE H A 23 ILE HG1y 1.0 1.8 5.0 233 195 A 24 GLY H A 24 GLY HAx 1.0 1.8 3.3 234 195 A 24 GLY H A 24 GLY HAy 1.0 1.8 3.3 235 196 A 25 LEU H A 24 GLY HAx 1.0 1.8 5.0 236 196 A 24 GLY HAy A 25 LEU H 1.0 1.8 5.0 237 197 A 25 LEU H A 25 LEU HA 1.0 1.8 3.3 238 198 A 25 LEU H A 25 LEU HBx 1.0 1.8 5.0 239 199 A 26 PHE H A 25 LEU HBx 1.0 1.8 5.0 240 200 A 25 LEU H A 25 LEU HDx% 1.0 1.8 5.0 241 200 A 25 LEU H A 25 LEU HD21 1.0 1.8 5.0 242 201 A 25 LEU H A 25 LEU HG 1.0 1.8 3.3 243 202 A 26 PHE H A 25 LEU H 1.0 1.8 3.3 244 203 A 26 PHE H A 27 ILE H 1.0 1.8 5.0 245 204 A 26 PHE H A 26 PHE HD% 1.0 1.8 5.0 246 205 A 26 PHE H A 27 ILE H 1.0 1.8 5.0 247 206 A 27 ILE H A 28 ARG H 1.0 1.8 5.0 248 207 A 30 ARG H A 29 ARG HBx 1.0 1.8 5.0 249 208 A 36 ARG HA A 36 ARG H 1.0 1.8 2.8 250 209 A 36 ARG H A 36 ARG HBx 1.0 1.8 3.3 251 210 A 37 THR H A 39 ARG H 1.0 1.8 5.0 252 211 A 40 ARG HBx A 41 LEU H 1.0 1.8 3.3 253 212 A 56 GLU H A 55 GLY HAx 1.0 1.8 5.0 254 212 A 55 GLY HAy A 56 GLU H 1.0 1.8 5.0 255 213 A 56 GLU H A 56 GLU HA 1.0 1.8 5.0 256 214 A 56 GLU H A 56 GLU HBx 1.0 1.8 5.0 257 215 A 57 LYS HA A 57 LYS H 1.0 1.8 2.8 258 216 A 57 LYS H A 57 LYS HBx 1.0 1.8 3.3 259 217 A 57 LYS HBx A 59 TRP H 1.0 1.8 5.0 260 218 A 58 LEU HA A 59 TRP H 1.0 1.8 3.3 261 219 A 7 THR H A 6 ALA H 1.0 1.8 5.0 262 220 A 7 THR H A 6 ALA H 1.0 1.8 5.0 263 221 A 7 THR H A 8 GLY H 1.0 1.8 3.3 264 222 A 13 LEU H A 14 LEU H 1.0 1.8 5.0 265 223 A 17 LEU H A 18 VAL H 1.0 1.8 2.8 266 224 A 18 VAL H A 19 VAL H 1.0 1.8 5.0 267 225 A 38 LEU H A 39 ARG H 1.0 1.8 3.3 268 226 A 39 ARG H A 42 LEU H 1.0 1.8 3.3 269 227 A 41 LEU H A 43 GLN H 1.0 1.8 5.0 270 228 A 42 LEU H A 44 GLU H 1.0 1.8 3.3 271 229 A 44 GLU H A 46 GLU H 1.0 1.8 5.0 272 230 A 45 ARG H A 46 GLU H 1.0 1.8 3.3 273 231 A 47 LEU H A 49 GLU H 1.0 1.8 5.0 274 232 A 48 VAL H A 49 GLU H 1.0 1.8 3.3 275 233 A 5 ILE HA A 5 ILE HG2% 1.0 1.8 5.0 276 234 A 5 ILE HA A 5 ILE HB 1.0 1.8 5.0 277 235 A 6 ALA HA A 6 ALA HB% 1.0 1.8 5.0 278 236 A 7 THR HB A 7 THR HG2% 1.0 1.8 5.0 279 237 A 9 LEU HA A 9 LEU HDx% 1.0 1.8 5.0 280 238 A 12 ALA HB% A 9 LEU HA 1.0 1.8 3.3 281 239 A 9 LEU HBx A 10 VAL HGx% 1.0 1.8 3.3 282 240 A 10 VAL H A 10 VAL HGx% 1.0 1.8 5.0 283 241 A 10 VAL HA A 10 VAL HGx% 1.0 1.8 3.3 284 242 A 12 ALA HA A 12 ALA HB% 1.0 1.8 5.0 285 243 A 14 LEU HA A 14 LEU HDx% 1.0 1.8 2.8 286 244 A 11 GLY HAy A 14 LEU HBx 1.0 1.8 5.0 287 245 A 12 ALA HA A 15 LEU HBx 1.0 1.8 5.0 288 246 A 13 LEU HA A 16 LEU HBx 1.0 1.8 3.3 289 247 A 17 LEU HA A 20 ALA HB% 1.0 1.8 3.3 290 248 A 19 VAL H A 19 VAL HA 1.0 1.8 5.0 291 249 A 19 VAL HGx% A 19 VAL H 1.0 1.8 5.0 292 250 A 20 ALA HA A 20 ALA HB% 1.0 1.8 5.0 293 251 A 21 LEU H A 19 VAL HA 1.0 1.8 5.0 294 252 A 23 ILE HA A 23 ILE HG2% 1.0 1.8 5.0 295 253 A 27 ILE HB A 24 GLY HAx 1.0 1.8 5.0 296 253 A 27 ILE HB A 24 GLY HAy 1.0 1.8 5.0 297 254 A 27 ILE HA A 27 ILE HG2% 1.0 1.8 5.0 298 255 A 27 ILE HB A 24 GLY HAy 1.0 1.8 5.0 299 256 A 32 ILE HA A 32 ILE HB 1.0 1.8 5.0 300 257 A 32 ILE HA A 32 ILE HG2% 1.0 1.8 5.0 301 258 A 34 ARG HBx A 34 ARG HA 1.0 1.8 5.0 302 259 A 39 ARG HA A 42 LEU HBx 1.0 1.8 5.0 303 260 A 37 THR HA A 40 ARG HBx 1.0 1.8 5.0 304 261 A 41 LEU HBx A 38 LEU HA 1.0 1.8 2.8 305 262 A 43 GLN HA A 43 GLN HBx 1.0 1.8 5.0 306 263 A 46 GLU HBx A 43 GLN HA 1.0 1.8 3.3 307 264 A 47 LEU HA A 47 LEU HBx 1.0 1.8 5.0 308 265 A 48 VAL HA A 48 VAL HB 1.0 1.8 5.0 309 266 A 52 THR HA A 52 THR HB 1.0 1.8 5.0 310 267 A 52 THR HB A 52 THR HG2% 1.0 1.8 2.8 311 268 A 36 ARG H A 35 LYS HBy 1.0 1.8 5.0 312 268 A 36 ARG H A 35 LYS HBx 1.0 1.8 5.0 313 269 A 34 ARG HDx A 38 LEU HBy 1.0 1.8 5.0 314 269 A 34 ARG HDy A 38 LEU HBy 1.0 1.8 5.0 315 269 A 38 LEU HBx A 34 ARG HDx 1.0 1.8 5.0 316 269 A 38 LEU HBx A 34 ARG HDy 1.0 1.8 5.0 317 270 A 45 ARG H A 44 GLU HBx 1.0 1.8 5.0 318 270 A 45 ARG H A 44 GLU HBy 1.0 1.8 5.0 319 271 A 40 ARG H A 41 LEU H 1.0 1.8 5.0 320 272 B 62 ILE HA B 62 ILE H 1.0 1.8 5.0 321 273 B 62 ILE H B 62 ILE HG21 1.0 1.8 5.0 322 273 B 62 ILE H B 62 ILE HG1y 1.0 1.8 5.0 323 273 B 62 ILE H B 62 ILE HG1x 1.0 1.8 5.0 324 274 B 64 SER HA B 65 ILE H 1.0 1.8 5.0 325 275 B 64 SER HA B 67 THR H 1.0 1.8 5.0 326 276 B 65 ILE H B 65 ILE HA 1.0 1.8 5.0 327 277 B 65 ILE HA B 68 GLY H 1.0 1.8 5.0 328 278 B 65 ILE H B 65 ILE HB 1.0 1.8 5.0 329 279 B 65 ILE HB B 66 ALA H 1.0 1.8 5.0 330 280 B 65 ILE H B 65 ILE HD11 1.0 1.8 5.0 331 281 B 65 ILE H B 65 ILE HG1x 1.0 1.8 5.0 332 281 B 65 ILE H B 65 ILE HG21 1.0 1.8 5.0 333 281 B 65 ILE H B 65 ILE HG1y 1.0 1.8 5.0 334 282 B 67 THR H B 66 ALA H 1.0 1.8 5.0 335 283 B 66 ALA H B 66 ALA HA 1.0 1.8 3.3 336 284 B 66 ALA H B 66 ALA HB1 1.0 1.8 3.3 337 285 B 67 THR H B 66 ALA HB1 1.0 1.8 5.0 338 286 B 67 THR H B 68 GLY H 1.0 1.8 5.0 339 287 B 67 THR H B 67 THR HA 1.0 1.8 3.3 340 288 B 68 GLY H B 67 THR HA 1.0 1.8 5.0 341 289 B 67 THR H B 67 THR HB 1.0 1.8 3.3 342 290 B 67 THR H B 67 THR HG21 1.0 1.8 5.0 343 290 B 67 THR H B 67 THR HG1 1.0 1.8 5.0 344 291 B 68 GLY H B 66 ALA H 1.0 1.8 5.0 345 292 B 67 THR H B 68 GLY H 1.0 1.8 3.3 346 293 B 68 GLY H B 69 LEU H 1.0 1.8 5.0 347 294 B 68 GLY H B 68 GLY HAx 1.0 1.8 3.3 348 294 B 68 GLY H B 68 GLY HAy 1.0 1.8 3.3 349 295 B 68 GLY H B 69 LEU H 1.0 1.8 5.0 350 296 B 72 ALA H B 69 LEU H 1.0 1.8 5.0 351 297 B 69 LEU HA B 70 VAL H 1.0 1.8 5.0 352 298 B 73 LEU H B 69 LEU HA 1.0 1.8 5.0 353 299 B 70 VAL H B 69 LEU HBx 1.0 1.8 5.0 354 300 B 69 LEU H B 69 LEU HG 1.0 1.8 5.0 355 301 B 68 GLY H B 70 VAL H 1.0 1.8 5.0 356 302 B 70 VAL H B 70 VAL HA 1.0 1.8 5.0 357 303 B 73 LEU H B 70 VAL HA 1.0 1.8 5.0 358 304 B 70 VAL HA B 74 LEU H 1.0 2.8 6.0 359 305 B 70 VAL H B 70 VAL HB 1.0 1.8 5.0 360 306 B 70 VAL H B 70 VAL HG21 1.0 1.8 5.0 361 306 B 70 VAL H B 70 VAL HG11 1.0 1.8 5.0 362 307 B 70 VAL H B 71 GLY H 1.0 1.8 5.0 363 308 B 71 GLY H B 71 GLY HAx 1.0 1.8 5.0 364 308 B 71 GLY H B 71 GLY HAy 1.0 1.8 5.0 365 309 B 74 LEU H B 71 GLY HAx 1.0 1.8 5.0 366 309 B 74 LEU H B 71 GLY HAy 1.0 1.8 5.0 367 310 B 72 ALA HA B 75 LEU H 1.0 1.8 3.3 368 311 B 72 ALA HB1 B 72 ALA H 1.0 1.8 5.0 369 312 B 72 ALA HB1 B 73 LEU H 1.0 1.8 5.0 370 313 B 73 LEU H B 72 ALA H 1.0 1.8 5.0 371 314 B 73 LEU H B 74 LEU H 1.0 1.8 3.3 372 315 B 73 LEU H B 73 LEU HA 1.0 1.8 5.0 373 316 B 73 LEU H B 73 LEU HBx 1.0 1.8 3.3 374 317 B 73 LEU HBx B 74 LEU H 1.0 1.8 3.3 375 318 B 73 LEU H B 73 LEU HD11 1.0 1.8 5.0 376 318 B 73 LEU H B 73 LEU HD21 1.0 1.8 5.0 377 319 B 73 LEU H B 73 LEU HG 1.0 1.8 5.0 378 320 B 73 LEU H B 74 LEU H 1.0 1.8 5.0 379 321 B 74 LEU H B 75 LEU H 1.0 1.8 5.0 380 322 B 74 LEU H B 74 LEU HA 1.0 1.8 5.0 381 323 B 75 LEU H B 74 LEU HA 1.0 1.8 3.3 382 324 B 74 LEU H B 74 LEU HBx 1.0 1.8 3.3 383 325 B 75 LEU H B 74 LEU HBx 1.0 1.8 5.0 384 326 B 74 LEU H B 74 LEU HD21 1.0 1.8 3.3 385 326 B 74 LEU H B 74 LEU HD11 1.0 1.8 3.3 386 327 B 74 LEU H B 74 LEU HG 1.0 1.8 5.0 387 328 B 74 LEU H B 75 LEU H 1.0 1.8 3.3 388 329 B 75 LEU H B 75 LEU HA 1.0 1.8 3.3 389 330 B 75 LEU HBx B 75 LEU H 1.0 1.8 3.3 390 331 B 77 LEU H B 76 LEU H 1.0 1.8 5.0 391 332 B 77 LEU H B 77 LEU HA 1.0 1.8 2.8 392 333 B 77 LEU H B 77 LEU HBx 1.0 1.8 2.8 393 334 B 78 VAL H B 79 VAL H 1.0 1.8 3.3 394 335 B 79 VAL H B 78 VAL HB 1.0 1.8 5.0 395 336 B 79 VAL H B 79 VAL HB 1.0 1.8 5.0 396 337 B 79 VAL H B 79 VAL HG21 1.0 1.8 3.3 397 337 B 79 VAL HG11 B 79 VAL H 1.0 1.8 3.3 398 338 B 79 VAL H B 80 ALA H 1.0 1.8 5.0 399 339 B 80 ALA H B 80 ALA HA 1.0 1.8 5.0 400 340 B 80 ALA H B 80 ALA HB1 1.0 1.8 5.0 401 341 B 80 ALA H B 81 LEU H 1.0 1.8 5.0 402 342 B 81 LEU H B 81 LEU HA 1.0 1.8 3.3 403 343 B 81 LEU HA B 82 GLY H 1.0 1.8 5.0 404 344 B 82 GLY H B 81 LEU HBx 1.0 1.8 5.0 405 345 B 82 GLY H B 82 GLY HAx 1.0 1.8 5.0 406 345 B 82 GLY H B 82 GLY HAy 1.0 1.8 5.0 407 346 B 83 ILE HA B 86 PHE H 1.0 1.8 5.0 408 347 B 86 PHE H B 83 ILE H 1.0 1.8 5.0 409 348 B 86 PHE H B 86 PHE HA 1.0 1.8 3.3 410 349 B 86 PHE HA B 87 ILE H 1.0 1.8 5.0 411 350 B 87 ILE H B 86 PHE HBx 1.0 1.8 5.0 412 351 B 87 ILE H B 88 ARG H 1.0 1.8 5.0 413 352 B 87 ILE H B 87 ILE HA 1.0 1.8 5.0 414 353 B 87 ILE HA B 90 ARG H 1.0 1.8 5.0 415 354 B 87 ILE HA B 91 HIS H 1.0 1.8 5.0 416 355 B 87 ILE H B 87 ILE HB 1.0 1.8 5.0 417 356 B 87 ILE HB B 89 ARG H 1.0 1.8 5.0 418 357 B 87 ILE H B 87 ILE HG1x 1.0 1.8 5.0 419 357 B 87 ILE H B 87 ILE HG21 1.0 1.8 5.0 420 357 B 87 ILE H B 87 ILE HG1y 1.0 1.8 5.0 421 358 B 88 ARG H B 88 ARG HA 1.0 1.8 5.0 422 359 B 88 ARG H B 88 ARG HBx 1.0 1.8 5.0 423 360 B 88 ARG H B 89 ARG H 1.0 1.8 5.0 424 361 B 90 ARG H B 89 ARG H 1.0 1.8 5.0 425 362 B 89 ARG H B 89 ARG HA 1.0 1.8 5.0 426 363 B 89 ARG H B 89 ARG HBx 1.0 1.8 5.0 427 364 B 89 ARG H B 89 ARG HDx 1.0 1.8 5.0 428 364 B 89 ARG H B 89 ARG HDy 1.0 1.8 5.0 429 365 B 89 ARG H B 89 ARG HGx 1.0 1.8 5.0 430 365 B 89 ARG H B 89 ARG HGy 1.0 1.8 5.0 431 366 B 90 ARG H B 91 HIS H 1.0 1.8 5.0 432 367 B 90 ARG H B 90 ARG HA 1.0 1.8 5.0 433 368 B 91 HIS H B 90 ARG HA 1.0 1.8 5.0 434 369 B 90 ARG H B 90 ARG HBx 1.0 1.8 5.0 435 370 B 91 HIS H B 92 ILE H 1.0 1.8 5.0 436 371 B 91 HIS H B 91 HIS HA 1.0 1.8 5.0 437 372 B 92 ILE H B 91 HIS HA 1.0 1.8 5.0 438 373 B 91 HIS H B 91 HIS HBx 1.0 1.8 5.0 439 374 B 92 ILE H B 91 HIS HBx 1.0 1.8 5.0 440 375 B 92 ILE H B 92 ILE HA 1.0 1.8 5.0 441 376 B 92 ILE H B 92 ILE HB 1.0 1.8 3.3 442 377 B 92 ILE HB B 93 VAL H 1.0 1.8 5.0 443 378 B 92 ILE H B 92 ILE HD11 1.0 1.8 5.0 444 379 B 92 ILE H B 92 ILE HG1x 1.0 1.8 5.0 445 379 B 92 ILE H B 92 ILE HG21 1.0 1.8 5.0 446 379 B 92 ILE H B 92 ILE HG1y 1.0 1.8 5.0 447 380 B 93 VAL H B 93 VAL HA 1.0 1.8 3.3 448 381 B 93 VAL H B 93 VAL HB 1.0 1.8 5.0 449 382 B 93 VAL H B 93 VAL HG11 1.0 1.8 3.3 450 382 B 93 VAL H B 93 VAL HG21 1.0 1.8 3.3 451 383 B 95 LYS HA B 95 LYS H 1.0 1.8 3.3 452 384 B 95 LYS H B 95 LYS HBx 1.0 1.8 3.3 453 385 B 97 THR H B 98 LEU H 1.0 1.8 5.0 454 386 B 97 THR H B 97 THR HA 1.0 1.8 5.0 455 387 B 98 LEU H B 97 THR HB 1.0 1.8 5.0 456 388 B 97 THR H B 97 THR HG21 1.0 1.8 5.0 457 388 B 97 THR H B 97 THR HG1 1.0 1.8 5.0 458 389 B 97 THR H B 98 LEU H 1.0 1.8 5.0 459 390 B 98 LEU H B 100 ARG H 1.0 1.8 3.3 460 391 B 98 LEU H B 98 LEU HA 1.0 1.8 2.8 461 392 B 98 LEU HBx B 98 LEU H 1.0 1.8 3.3 462 393 B 98 LEU H B 98 LEU HD11 1.0 1.8 5.0 463 393 B 98 LEU HD21 B 98 LEU H 1.0 1.8 5.0 464 394 B 100 ARG H B 99 ARG H 1.0 1.8 3.3 465 395 B 99 ARG H B 102 LEU H 1.0 1.8 3.3 466 396 B 99 ARG H B 99 ARG HA 1.0 1.8 5.0 467 397 B 99 ARG H B 99 ARG HDx 1.0 1.8 5.0 468 397 B 99 ARG H B 99 ARG HDy 1.0 1.8 5.0 469 398 B 100 ARG H B 100 ARG HA 1.0 1.8 3.3 470 399 B 100 ARG H B 100 ARG HBx 1.0 1.8 5.0 471 400 B 100 ARG H B 100 ARG HDx 1.0 1.8 5.0 472 400 B 100 ARG H B 100 ARG HDy 1.0 1.8 5.0 473 401 B 100 ARG H B 100 ARG HGx 1.0 1.8 5.0 474 401 B 100 ARG H B 100 ARG HGy 1.0 1.8 5.0 475 402 B 101 LEU HA B 101 LEU H 1.0 1.8 2.8 476 403 B 101 LEU HBx B 101 LEU H 1.0 1.8 3.3 477 404 B 102 LEU H B 102 LEU HA 1.0 1.8 2.8 478 405 B 102 LEU HBx B 102 LEU H 1.0 1.8 3.3 479 406 B 103 GLN H B 104 GLU H 1.0 1.8 5.0 480 407 B 104 GLU H B 104 GLU HA 1.0 1.8 5.0 481 408 B 104 GLU H B 104 GLU HBx 1.0 1.8 5.0 482 409 B 104 GLU H B 105 ARG H 1.0 1.8 5.0 483 410 B 105 ARG H B 108 VAL H 1.0 1.8 5.0 484 411 B 105 ARG H B 105 ARG HA 1.0 1.8 3.3 485 412 B 105 ARG HBx B 105 ARG H 1.0 1.8 3.3 486 413 B 105 ARG H B 105 ARG HDx 1.0 1.8 5.0 487 413 B 105 ARG HDy B 105 ARG H 1.0 1.8 5.0 488 414 B 105 ARG H B 105 ARG HGx 1.0 1.8 5.0 489 414 B 105 ARG HGy B 105 ARG H 1.0 1.8 5.0 490 415 B 105 ARG H B 106 GLU H 1.0 1.8 5.0 491 416 B 106 GLU H B 106 GLU HA 1.0 1.8 3.3 492 417 B 106 GLU H B 106 GLU HBx 1.0 1.8 5.0 493 418 B 107 LEU HA B 107 LEU H 1.0 1.8 5.0 494 419 B 108 VAL H B 107 LEU HA 1.0 1.8 2.8 495 420 B 107 LEU HA B 109 GLU H 1.0 1.8 5.0 496 421 B 107 LEU H B 107 LEU HBx 1.0 1.8 3.3 497 422 B 108 VAL H B 107 LEU HBx 1.0 1.8 5.0 498 423 B 108 VAL H B 108 VAL HA 1.0 1.8 5.0 499 424 B 109 GLU H B 108 VAL HA 1.0 1.8 2.8 500 425 B 108 VAL H B 108 VAL HB 1.0 1.8 5.0 501 426 B 108 VAL H B 108 VAL HG11 1.0 1.8 3.3 502 426 B 108 VAL H B 108 VAL HG21 1.0 1.8 3.3 503 427 B 108 VAL H B 109 GLU H 1.0 1.8 5.0 504 428 B 109 GLU H B 109 GLU HA 1.0 1.8 3.3 505 429 B 109 GLU H B 109 GLU HBx 1.0 1.8 3.3 506 430 B 109 GLU H B 109 GLU HGx 1.0 1.8 5.0 507 430 B 109 GLU H B 109 GLU HGy 1.0 1.8 5.0 508 431 B 111 LEU HA B 111 LEU H 1.0 1.8 2.8 509 432 B 111 LEU HA B 112 THR H 1.0 1.8 2.8 510 433 B 111 LEU H B 111 LEU HBx 1.0 1.8 3.3 511 434 B 111 LEU H B 112 THR H 1.0 1.8 3.3 512 435 B 112 THR H B 112 THR HA 1.0 1.8 5.0 513 436 B 112 THR H B 112 THR HB 1.0 1.8 5.0 514 437 B 112 THR H B 112 THR HG21 1.0 1.8 5.0 515 437 B 112 THR H B 112 THR HG1 1.0 1.8 5.0 516 438 B 113 PRO HA B 114 SER H 1.0 1.8 3.3 517 439 B 113 PRO HA B 115 GLY H 1.0 1.8 3.3 518 440 B 114 SER H B 114 SER HA 1.0 1.8 3.3 519 441 B 115 GLY H B 114 SER HA 1.0 1.8 5.0 520 442 B 114 SER H B 114 SER HBx 1.0 1.8 5.0 521 443 B 115 GLY H B 115 GLY HAx 1.0 1.8 3.3 522 443 B 115 GLY H B 115 GLY HAy 1.0 1.8 3.3 523 444 B 118 LEU HA B 118 LEU H 1.0 1.8 2.8 524 445 B 118 LEU H B 118 LEU HBx 1.0 1.8 2.8 525 446 B 68 GLY H B 69 LEU H 1.0 1.8 5.0 526 447 B 70 VAL H B 71 GLY H 1.0 1.8 5.0 527 448 B 70 VAL HA B 71 GLY H 1.0 1.8 3.3 528 449 B 70 VAL HB B 71 GLY H 1.0 1.8 5.0 529 450 B 71 GLY H B 71 GLY HAx 1.0 1.8 3.3 530 450 B 71 GLY H B 71 GLY HAy 1.0 1.8 3.3 531 451 B 72 ALA H B 71 GLY HAx 1.0 1.8 5.0 532 451 B 72 ALA H B 71 GLY HAy 1.0 1.8 5.0 533 452 B 72 ALA HA B 72 ALA H 1.0 1.8 5.0 534 453 B 75 LEU HA B 79 VAL H 1.0 1.8 5.0 535 454 B 77 LEU HBx B 78 VAL H 1.0 1.8 5.0 536 455 B 78 VAL H B 78 VAL HA 1.0 1.8 5.0 537 456 B 78 VAL H B 78 VAL HB 1.0 1.8 5.0 538 457 B 78 VAL H B 78 VAL HG11 1.0 1.8 3.3 539 457 B 78 VAL H B 78 VAL HG21 1.0 1.8 3.3 540 458 B 79 VAL H B 79 VAL HA 1.0 1.8 5.0 541 459 B 81 LEU HA B 84 GLY H 1.0 1.8 5.0 542 460 B 83 ILE H B 82 GLY HAx 1.0 1.8 5.0 543 460 B 82 GLY HAy B 83 ILE H 1.0 1.8 5.0 544 461 B 86 PHE H B 82 GLY HAx 1.0 1.8 5.0 545 461 B 82 GLY HAy B 86 PHE H 1.0 1.8 5.0 546 462 B 83 ILE HA B 83 ILE H 1.0 1.8 5.0 547 463 B 83 ILE H B 83 ILE HB 1.0 1.8 3.3 548 464 B 84 GLY H B 83 ILE HB 1.0 1.8 5.0 549 465 B 83 ILE H B 83 ILE HG1x 1.0 1.8 5.0 550 465 B 83 ILE H B 83 ILE HG21 1.0 1.8 5.0 551 465 B 83 ILE H B 83 ILE HG1y 1.0 1.8 5.0 552 466 B 84 GLY H B 84 GLY HAx 1.0 1.8 3.3 553 466 B 84 GLY H B 84 GLY HAy 1.0 1.8 3.3 554 467 B 85 LEU H B 84 GLY HAx 1.0 1.8 5.0 555 467 B 84 GLY HAy B 85 LEU H 1.0 1.8 5.0 556 468 B 85 LEU H B 85 LEU HA 1.0 1.8 3.3 557 469 B 85 LEU H B 85 LEU HBx 1.0 1.8 5.0 558 470 B 86 PHE H B 85 LEU HBx 1.0 1.8 5.0 559 471 B 85 LEU H B 85 LEU HD11 1.0 1.8 5.0 560 471 B 85 LEU H B 85 LEU HD21 1.0 1.8 5.0 561 472 B 85 LEU H B 85 LEU HG 1.0 1.8 3.3 562 473 B 86 PHE H B 85 LEU H 1.0 1.8 3.3 563 474 B 86 PHE H B 87 ILE H 1.0 1.8 5.0 564 475 B 86 PHE H B 86 PHE HD% 1.0 1.8 5.0 565 476 B 86 PHE H B 87 ILE H 1.0 1.8 5.0 566 477 B 87 ILE H B 88 ARG H 1.0 1.8 5.0 567 478 B 90 ARG H B 89 ARG HBx 1.0 1.8 5.0 568 479 B 96 ARG HA B 96 ARG H 1.0 1.8 2.8 569 480 B 96 ARG H B 96 ARG HBx 1.0 1.8 3.3 570 481 B 97 THR H B 99 ARG H 1.0 1.8 5.0 571 482 B 100 ARG HBx B 101 LEU H 1.0 1.8 3.3 572 483 B 116 GLU H B 115 GLY HAx 1.0 1.8 5.0 573 483 B 115 GLY HAy B 116 GLU H 1.0 1.8 5.0 574 484 B 116 GLU H B 116 GLU HA 1.0 1.8 5.0 575 485 B 116 GLU H B 116 GLU HBx 1.0 1.8 5.0 576 486 B 117 LYS HA B 117 LYS H 1.0 1.8 2.8 577 487 B 117 LYS H B 117 LYS HBx 1.0 1.8 3.3 578 488 B 117 LYS HBx B 119 TRP H 1.0 1.8 5.0 579 489 B 118 LEU HA B 119 TRP H 1.0 1.8 3.3 580 490 B 67 THR H B 66 ALA H 1.0 1.8 5.0 581 491 B 67 THR H B 66 ALA H 1.0 1.8 5.0 582 492 B 67 THR H B 68 GLY H 1.0 1.8 3.3 583 493 B 73 LEU H B 74 LEU H 1.0 1.8 5.0 584 494 B 77 LEU H B 78 VAL H 1.0 1.8 2.8 585 495 B 78 VAL H B 79 VAL H 1.0 1.8 5.0 586 496 B 98 LEU H B 99 ARG H 1.0 1.8 3.3 587 497 B 99 ARG H B 102 LEU H 1.0 1.8 3.3 588 498 B 101 LEU H B 103 GLN H 1.0 1.8 5.0 589 499 B 102 LEU H B 104 GLU H 1.0 1.8 3.3 590 500 B 104 GLU H B 106 GLU H 1.0 1.8 5.0 591 501 B 105 ARG H B 106 GLU H 1.0 1.8 3.3 592 502 B 107 LEU H B 109 GLU H 1.0 1.8 5.0 593 503 B 108 VAL H B 109 GLU H 1.0 1.8 3.3 594 504 B 65 ILE HA B 65 ILE HG21 1.0 1.8 5.0 595 505 B 65 ILE HA B 65 ILE HB 1.0 1.8 5.0 596 506 B 66 ALA HA B 66 ALA HB1 1.0 1.8 5.0 597 507 B 67 THR HB B 67 THR HG21 1.0 1.8 5.0 598 508 B 69 LEU HA B 69 LEU HD11 1.0 1.8 5.0 599 509 B 72 ALA HB1 B 69 LEU HA 1.0 1.8 3.3 600 510 B 69 LEU HBx B 70 VAL HG11 1.0 1.8 3.3 601 511 B 70 VAL H B 70 VAL HG11 1.0 1.8 5.0 602 512 B 70 VAL HA B 70 VAL HG11 1.0 1.8 3.3 603 513 B 72 ALA HB1 B 72 ALA HA 1.0 1.8 5.0 604 514 B 74 LEU HA B 74 LEU HD11 1.0 1.8 2.8 605 515 B 71 GLY HAy B 74 LEU HBx 1.0 1.8 5.0 606 516 B 72 ALA HA B 75 LEU HBx 1.0 1.8 5.0 607 517 B 73 LEU HA B 76 LEU HBx 1.0 1.8 3.3 608 518 B 77 LEU HA B 80 ALA HB1 1.0 1.8 3.3 609 519 B 79 VAL H B 79 VAL HA 1.0 1.8 5.0 610 520 B 79 VAL HG11 B 79 VAL H 1.0 1.8 5.0 611 521 B 80 ALA HA B 80 ALA HB1 1.0 1.8 5.0 612 522 B 81 LEU H B 79 VAL HA 1.0 1.8 5.0 613 523 B 83 ILE HA B 83 ILE HG21 1.0 1.8 5.0 614 524 B 87 ILE HB B 84 GLY HAx 1.0 1.8 5.0 615 524 B 87 ILE HB B 84 GLY HAy 1.0 1.8 5.0 616 525 B 87 ILE HA B 87 ILE HG21 1.0 1.8 5.0 617 526 B 87 ILE HB B 84 GLY HAy 1.0 1.8 5.0 618 527 B 92 ILE HA B 92 ILE HB 1.0 1.8 5.0 619 528 B 92 ILE HA B 92 ILE HG21 1.0 1.8 5.0 620 529 B 94 ARG HBx B 94 ARG HA 1.0 1.8 5.0 621 530 B 102 LEU HBx B 99 ARG HA 1.0 1.8 5.0 622 531 B 97 THR HA B 100 ARG HBx 1.0 1.8 5.0 623 532 B 101 LEU HBx B 98 LEU HA 1.0 1.8 2.8 624 533 B 103 GLN HA B 103 GLN HBx 1.0 1.8 5.0 625 534 B 106 GLU HBx B 103 GLN HA 1.0 1.8 3.3 626 535 B 107 LEU HA B 107 LEU HBx 1.0 1.8 5.0 627 536 B 108 VAL HA B 108 VAL HB 1.0 1.8 5.0 628 537 B 112 THR HA B 112 THR HB 1.0 1.8 5.0 629 538 B 112 THR HB B 112 THR HG21 1.0 1.8 2.8 630 539 B 96 ARG H B 95 LYS HBy 1.0 1.8 5.0 631 539 B 96 ARG H B 95 LYS HBx 1.0 1.8 5.0 632 540 B 94 ARG HDx B 98 LEU HBy 1.0 1.8 5.0 633 540 B 94 ARG HDy B 98 LEU HBy 1.0 1.8 5.0 634 540 B 98 LEU HBx B 94 ARG HDx 1.0 1.8 5.0 635 540 B 98 LEU HBx B 94 ARG HDy 1.0 1.8 5.0 636 541 B 105 ARG H B 104 GLU HBx 1.0 1.8 5.0 637 541 B 105 ARG H B 104 GLU HBy 1.0 1.8 5.0 638 542 B 100 ARG H B 101 LEU H 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 B 66 ALA O B 70 VAL N 1.0 2.7 3.0 2 2 B 70 VAL H B 66 ALA O 1.0 1.8 2.0 3 3 B 68 GLY O B 72 ALA N 1.0 2.7 3.0 4 4 B 72 ALA H B 68 GLY O 1.0 1.8 2.0 5 5 B 69 LEU O B 73 LEU N 1.0 2.7 3.0 6 6 B 73 LEU H B 69 LEU O 1.0 1.8 2.0 7 7 B 70 VAL O B 74 LEU N 1.0 2.7 3.0 8 8 B 74 LEU H B 70 VAL O 1.0 1.8 2.0 9 9 B 71 GLY O B 75 LEU N 1.0 2.7 3.0 10 10 B 75 LEU H B 71 GLY O 1.0 1.8 2.0 11 11 B 72 ALA O B 76 LEU N 1.0 2.7 3.0 12 12 B 76 LEU H B 72 ALA O 1.0 1.8 2.0 13 13 B 73 LEU O B 77 LEU N 1.0 2.7 3.0 14 14 B 77 LEU H B 73 LEU O 1.0 1.8 2.0 15 15 B 74 LEU O B 78 VAL N 1.0 2.7 3.0 16 16 B 78 VAL H B 74 LEU O 1.0 1.8 2.0 17 17 B 75 LEU O B 79 VAL N 1.0 2.7 3.0 18 18 B 79 VAL H B 75 LEU O 1.0 1.8 2.0 19 19 B 76 LEU O B 80 ALA N 1.0 2.7 3.0 20 20 B 80 ALA H B 76 LEU O 1.0 1.8 2.0 21 21 B 77 LEU O B 81 LEU N 1.0 2.7 3.0 22 22 B 81 LEU H B 77 LEU O 1.0 1.8 2.0 23 23 B 78 VAL O B 82 GLY N 1.0 2.7 3.0 24 24 B 82 GLY H B 78 VAL O 1.0 1.8 2.0 25 25 B 79 VAL O B 83 ILE N 1.0 2.7 3.0 26 26 B 83 ILE H B 79 VAL O 1.0 1.8 2.0 27 27 B 80 ALA O B 84 GLY N 1.0 2.7 3.0 28 28 B 84 GLY H B 80 ALA O 1.0 1.8 2.0 29 29 B 81 LEU O B 85 LEU N 1.0 2.7 3.0 30 30 B 85 LEU H B 81 LEU O 1.0 1.8 2.0 31 31 B 82 GLY O B 86 PHE N 1.0 2.7 3.0 32 32 B 86 PHE H B 82 GLY O 1.0 1.8 2.0 33 33 B 83 ILE O B 87 ILE N 1.0 2.7 3.0 34 34 B 87 ILE H B 83 ILE O 1.0 1.8 2.0 35 35 B 84 GLY O B 88 ARG N 1.0 2.7 3.0 36 36 B 88 ARG H B 84 GLY O 1.0 1.8 2.0 37 37 A 6 ALA O A 10 VAL N 1.0 2.7 3.0 38 38 A 10 VAL H A 6 ALA O 1.0 1.8 2.0 39 39 A 8 GLY O A 12 ALA N 1.0 2.7 3.0 40 40 A 12 ALA H A 8 GLY O 1.0 1.8 2.0 41 41 A 9 LEU O A 13 LEU N 1.0 2.7 3.0 42 42 A 13 LEU H A 9 LEU O 1.0 1.8 2.0 43 43 A 10 VAL O A 14 LEU N 1.0 2.7 3.0 44 44 A 14 LEU H A 10 VAL O 1.0 1.8 2.0 45 45 A 11 GLY O A 15 LEU N 1.0 2.7 3.0 46 46 A 15 LEU H A 11 GLY O 1.0 1.8 2.0 47 47 A 12 ALA O A 16 LEU N 1.0 2.7 3.0 48 48 A 16 LEU H A 12 ALA O 1.0 1.8 2.0 49 49 A 13 LEU O A 17 LEU N 1.0 2.7 3.0 50 50 A 17 LEU H A 13 LEU O 1.0 1.8 2.0 51 51 A 14 LEU O A 18 VAL N 1.0 2.7 3.0 52 52 A 18 VAL H A 14 LEU O 1.0 1.8 2.0 53 53 A 15 LEU O A 19 VAL N 1.0 2.7 3.0 54 54 A 19 VAL H A 15 LEU O 1.0 1.8 2.0 55 55 A 16 LEU O A 20 ALA N 1.0 2.7 3.0 56 56 A 20 ALA H A 16 LEU O 1.0 1.8 2.0 57 57 A 17 LEU O A 21 LEU N 1.0 2.7 3.0 58 58 A 21 LEU H A 17 LEU O 1.0 1.8 2.0 59 59 A 18 VAL O A 22 GLY N 1.0 2.7 3.0 60 60 A 22 GLY H A 18 VAL O 1.0 1.8 2.0 61 61 A 19 VAL O A 23 ILE N 1.0 2.7 3.0 62 62 A 23 ILE H A 19 VAL O 1.0 1.8 2.0 63 63 A 20 ALA O A 24 GLY N 1.0 2.7 3.0 64 64 A 24 GLY H A 20 ALA O 1.0 1.8 2.0 65 65 A 21 LEU O A 25 LEU N 1.0 2.7 3.0 66 66 A 25 LEU H A 21 LEU O 1.0 1.8 2.0 67 67 A 22 GLY O A 26 PHE N 1.0 2.7 3.0 68 68 A 26 PHE H A 22 GLY O 1.0 1.8 2.0 69 69 A 23 ILE O A 27 ILE N 1.0 2.7 3.0 70 70 A 27 ILE H A 23 ILE O 1.0 1.8 2.0 71 71 A 24 GLY O A 28 ARG N 1.0 2.7 3.0 72 72 A 28 ARG H A 24 GLY O 1.0 1.8 2.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 ILE C A 3 PRO N A 3 PRO CA A 3 PRO C 1.0 -83.0 -43.0 PHI 2 2 A 3 PRO N A 3 PRO CA A 3 PRO C A 4 SER N 1.0 125.0 165.0 PSI 3 3 A 3 PRO C A 4 SER N A 4 SER CA A 4 SER C 1.0 -80.2 -40.2 PHI 4 4 A 4 SER N A 4 SER CA A 4 SER C A 5 ILE N 1.0 -51.3 -7.1 PSI 5 5 A 4 SER C A 5 ILE N A 5 ILE CA A 5 ILE C 1.0 -82.7 -42.7 PHI 6 6 A 5 ILE N A 5 ILE CA A 5 ILE C A 6 ALA N 1.0 -62.3 -22.3 PSI 7 7 A 5 ILE C A 6 ALA N A 6 ALA CA A 6 ALA C 1.0 -83.9 -43.9 PHI 8 8 A 6 ALA N A 6 ALA CA A 6 ALA C A 7 THR N 1.0 -58.3 -18.3 PSI 9 9 A 6 ALA C A 7 THR N A 7 THR CA A 7 THR C 1.0 -84.3 -44.3 PHI 10 10 A 7 THR N A 7 THR CA A 7 THR C A 8 GLY N 1.0 -63.7 -23.7 PSI 11 11 A 7 THR C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 -81.7 -41.7 PHI 12 12 A 8 GLY N A 8 GLY CA A 8 GLY C A 9 LEU N 1.0 -62.7 -22.7 PSI 13 13 A 8 GLY C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -83.1 -43.1 PHI 14 14 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 VAL N 1.0 -65.0 -25.0 PSI 15 15 A 9 LEU C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -82.4 -42.4 PHI 16 16 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 GLY N 1.0 -64.4 -24.4 PSI 17 17 A 10 VAL C A 11 GLY N A 11 GLY CA A 11 GLY C 1.0 -81.5 -41.5 PHI 18 18 A 11 GLY N A 11 GLY CA A 11 GLY C A 12 ALA N 1.0 -60.9 -20.9 PSI 19 19 A 11 GLY C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -79.5 -39.5 PHI 20 20 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 LEU N 1.0 -65.3 -25.3 PSI 21 21 A 12 ALA C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -83.5 -43.5 PHI 22 22 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 LEU N 1.0 -61.8 -21.8 PSI 23 23 A 13 LEU C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -83.9 -43.9 PHI 24 24 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 LEU N 1.0 -60.1 -19.1 PSI 25 25 A 14 LEU C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -83.7 -43.7 PHI 26 26 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 LEU N 1.0 -63.8 -23.8 PSI 27 27 A 15 LEU C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -79.3 -39.3 PHI 28 28 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 LEU N 1.0 -63.5 -23.5 PSI 29 29 A 16 LEU C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -84.0 -44.0 PHI 30 30 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 VAL N 1.0 -61.0 -21.0 PSI 31 31 A 17 LEU C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -84.8 -44.8 PHI 32 32 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 VAL N 1.0 -62.7 -22.7 PSI 33 33 A 18 VAL C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -85.1 -45.1 PHI 34 34 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 ALA N 1.0 -63.6 -23.6 PSI 35 35 A 19 VAL C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -78.0 -38.0 PHI 36 36 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 LEU N 1.0 -62.1 -22.1 PSI 37 37 A 20 ALA C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -81.3 -41.3 PHI 38 38 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 GLY N 1.0 -62.3 -22.3 PSI 39 39 A 21 LEU C A 22 GLY N A 22 GLY CA A 22 GLY C 1.0 -82.0 -42.0 PHI 40 40 A 22 GLY N A 22 GLY CA A 22 GLY C A 23 ILE N 1.0 -64.0 -24.0 PSI 41 41 A 22 GLY C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -80.0 -40.0 PHI 42 42 A 23 ILE N A 23 ILE CA A 23 ILE C A 24 GLY N 1.0 -62.0 -22.0 PSI 43 43 A 23 ILE C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 -81.0 -41.0 PHI 44 44 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 LEU N 1.0 -63.0 -23.0 PSI 45 45 A 24 GLY C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -84.0 -44.0 PHI 46 46 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 PHE N 1.0 -64.0 -24.0 PSI 47 47 A 25 LEU C A 26 PHE N A 26 PHE CA A 26 PHE C 1.0 -82.0 -42.0 PHI 48 48 A 26 PHE N A 26 PHE CA A 26 PHE C A 27 ILE N 1.0 -64.0 -24.0 PSI 49 49 A 26 PHE C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -83.3 -43.3 PHI 50 50 A 27 ILE N A 27 ILE CA A 27 ILE C A 28 ARG N 1.0 -59.4 -19.4 PSI 51 51 A 27 ILE C A 28 ARG N A 28 ARG CA A 28 ARG C 1.0 -79.3 -39.3 PHI 52 52 A 28 ARG N A 28 ARG CA A 28 ARG C A 29 ARG N 1.0 -66.2 -26.2 PSI 53 53 A 28 ARG C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -81.7 -41.7 PHI 54 54 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 ARG N 1.0 -58.5 -18.5 PSI 55 55 A 29 ARG C A 30 ARG N A 30 ARG CA A 30 ARG C 1.0 -86.0 -46.0 PHI 56 56 A 30 ARG N A 30 ARG CA A 30 ARG C A 31 HIS N 1.0 -62.0 -22.0 PSI 57 57 A 30 ARG C A 31 HIS N A 31 HIS CA A 31 HIS C 1.0 -83.0 -43.0 PHI 58 58 A 31 HIS N A 31 HIS CA A 31 HIS C A 32 ILE N 1.0 -64.0 -16.0 PSI 59 59 A 31 HIS C A 32 ILE N A 32 ILE CA A 32 ILE C 1.0 -83.0 -43.0 PHI 60 60 A 32 ILE N A 32 ILE CA A 32 ILE C A 33 VAL N 1.0 -63.0 -11.0 PSI 61 61 A 32 ILE C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -120.0 -40.0 PHI 62 62 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 ARG N 1.0 -60.0 16.0 PSI 63 63 A 36 ARG C A 37 THR N A 37 THR CA A 37 THR C 1.0 -83.0 -43.0 PHI 64 64 A 37 THR N A 37 THR CA A 37 THR C A 38 LEU N 1.0 -70.0 -14.0 PSI 65 65 A 37 THR C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -88.0 -44.0 PHI 66 66 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 ARG N 1.0 -59.0 -7.0 PSI 67 67 A 38 LEU C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -95.0 -47.0 PHI 68 68 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 ARG N 1.0 -56.0 8.0 PSI 69 69 A 39 ARG C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -102.0 -46.0 PHI 70 70 A 40 ARG N A 40 ARG CA A 40 ARG C A 41 LEU N 1.0 -77.0 23.0 PSI 71 71 A 40 ARG C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -110.0 -42.0 PHI 72 72 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 LEU N 1.0 -81.0 35.0 PSI 73 73 A 42 LEU C A 43 GLN N A 43 GLN CA A 43 GLN C 1.0 -119.0 -39.0 PHI 74 74 A 43 GLN N A 43 GLN CA A 43 GLN C A 44 GLU N 1.0 -70.0 14.0 PSI 75 75 A 43 GLN C A 44 GLU N A 44 GLU CA A 44 GLU C 1.0 -83.0 -43.0 PHI 76 76 A 44 GLU N A 44 GLU CA A 44 GLU C A 45 ARG N 1.0 -60.0 -20.0 PSI 77 77 A 44 GLU C A 45 ARG N A 45 ARG CA A 45 ARG C 1.0 -88.0 -48.0 PHI 78 78 A 45 ARG N A 45 ARG CA A 45 ARG C A 46 GLU N 1.0 -56.0 -12.0 PSI 79 79 A 45 ARG C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -116.0 -44.0 PHI 80 80 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 LEU N 1.0 -67.0 17.0 PSI 81 81 A 48 VAL C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -111.0 -51.0 PHI 82 82 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 PRO N 1.0 108.0 172.0 PSI 83 83 A 49 GLU C A 50 PRO N A 50 PRO CA A 50 PRO C 1.0 -87.0 -47.0 PHI 84 84 A 50 PRO N A 50 PRO CA A 50 PRO C A 51 LEU N 1.0 132.0 172.0 PSI 85 85 A 50 PRO C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -142.0 -2.0 PHI 86 86 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 THR N 1.0 89.0 165.0 PSI 87 87 A 51 LEU C A 52 THR N A 52 THR CA A 52 THR C 1.0 -142.0 -2.0 PHI 88 88 A 52 THR N A 52 THR CA A 52 THR C A 53 PRO N 1.0 89.0 165.0 PSI 89 89 A 56 GLU C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -85.0 -45.0 PHI 90 90 A 57 LYS N A 57 LYS CA A 57 LYS C A 58 LEU N 1.0 -61.0 -21.0 PSI 91 91 A 57 LYS C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -90.0 -50.0 PHI 92 92 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 TRP N 1.0 -47.0 -7.0 PSI 93 93 B 62 ILE C B 63 PRO N B 63 PRO CA B 63 PRO C 1.0 -83.0 -43.0 PHI 94 94 B 63 PRO N B 63 PRO CA B 63 PRO C B 64 SER N 1.0 125.0 165.0 PSI 95 95 B 63 PRO C B 64 SER N B 64 SER CA B 64 SER C 1.0 -80.2 -40.2 PHI 96 96 B 64 SER N B 64 SER CA B 64 SER C B 65 ILE N 1.0 -51.3 -7.1 PSI 97 97 B 64 SER C B 65 ILE N B 65 ILE CA B 65 ILE C 1.0 -82.7 -42.7 PHI 98 98 B 65 ILE N B 65 ILE CA B 65 ILE C B 66 ALA N 1.0 -62.3 -22.3 PSI 99 99 B 65 ILE C B 66 ALA N B 66 ALA CA B 66 ALA C 1.0 -83.9 -43.9 PHI 100 100 B 66 ALA N B 66 ALA CA B 66 ALA C B 67 THR N 1.0 -58.3 -18.3 PSI 101 101 B 66 ALA C B 67 THR N B 67 THR CA B 67 THR C 1.0 -84.3 -44.3 PHI 102 102 B 67 THR N B 67 THR CA B 67 THR C B 68 GLY N 1.0 -63.7 -23.7 PSI 103 103 B 67 THR C B 68 GLY N B 68 GLY CA B 68 GLY C 1.0 -81.7 -41.7 PHI 104 104 B 68 GLY N B 68 GLY CA B 68 GLY C B 69 LEU N 1.0 -62.7 -22.7 PSI 105 105 B 68 GLY C B 69 LEU N B 69 LEU CA B 69 LEU C 1.0 -83.1 -43.1 PHI 106 106 B 69 LEU N B 69 LEU CA B 69 LEU C B 70 VAL N 1.0 -65.0 -25.0 PSI 107 107 B 69 LEU C B 70 VAL N B 70 VAL CA B 70 VAL C 1.0 -82.4 -42.4 PHI 108 108 B 70 VAL N B 70 VAL CA B 70 VAL C B 71 GLY N 1.0 -64.4 -24.4 PSI 109 109 B 70 VAL C B 71 GLY N B 71 GLY CA B 71 GLY C 1.0 -81.5 -41.5 PHI 110 110 B 71 GLY N B 71 GLY CA B 71 GLY C B 72 ALA N 1.0 -60.9 -20.9 PSI 111 111 B 71 GLY C B 72 ALA N B 72 ALA CA B 72 ALA C 1.0 -79.5 -39.5 PHI 112 112 B 72 ALA N B 72 ALA CA B 72 ALA C B 73 LEU N 1.0 -65.3 -25.3 PSI 113 113 B 72 ALA C B 73 LEU N B 73 LEU CA B 73 LEU C 1.0 -83.5 -43.5 PHI 114 114 B 73 LEU N B 73 LEU CA B 73 LEU C B 74 LEU N 1.0 -61.8 -21.8 PSI 115 115 B 73 LEU C B 74 LEU N B 74 LEU CA B 74 LEU C 1.0 -83.9 -43.9 PHI 116 116 B 74 LEU N B 74 LEU CA B 74 LEU C B 75 LEU N 1.0 -60.1 -19.1 PSI 117 117 B 74 LEU C B 75 LEU N B 75 LEU CA B 75 LEU C 1.0 -83.7 -43.7 PHI 118 118 B 75 LEU N B 75 LEU CA B 75 LEU C B 76 LEU N 1.0 -63.8 -23.8 PSI 119 119 B 75 LEU C B 76 LEU N B 76 LEU CA B 76 LEU C 1.0 -79.3 -39.3 PHI 120 120 B 76 LEU N B 76 LEU CA B 76 LEU C B 77 LEU N 1.0 -63.5 -23.5 PSI 121 121 B 76 LEU C B 77 LEU N B 77 LEU CA B 77 LEU C 1.0 -84.0 -44.0 PHI 122 122 B 77 LEU N B 77 LEU CA B 77 LEU C B 78 VAL N 1.0 -61.0 -21.0 PSI 123 123 B 77 LEU C B 78 VAL N B 78 VAL CA B 78 VAL C 1.0 -84.8 -44.8 PHI 124 124 B 78 VAL N B 78 VAL CA B 78 VAL C B 79 VAL N 1.0 -62.7 -22.7 PSI 125 125 B 78 VAL C B 79 VAL N B 79 VAL CA B 79 VAL C 1.0 -85.1 -45.1 PHI 126 126 B 79 VAL N B 79 VAL CA B 79 VAL C B 80 ALA N 1.0 -63.6 -23.6 PSI 127 127 B 79 VAL C B 80 ALA N B 80 ALA CA B 80 ALA C 1.0 -78.0 -38.0 PHI 128 128 B 80 ALA N B 80 ALA CA B 80 ALA C B 81 LEU N 1.0 -62.1 -22.1 PSI 129 129 B 80 ALA C B 81 LEU N B 81 LEU CA B 81 LEU C 1.0 -81.3 -41.3 PHI 130 130 B 81 LEU N B 81 LEU CA B 81 LEU C B 82 GLY N 1.0 -62.3 -22.3 PSI 131 131 B 81 LEU C B 82 GLY N B 82 GLY CA B 82 GLY C 1.0 -82.0 -42.0 PHI 132 132 B 82 GLY N B 82 GLY CA B 82 GLY C B 83 ILE N 1.0 -64.0 -24.0 PSI 133 133 B 82 GLY C B 83 ILE N B 83 ILE CA B 83 ILE C 1.0 -80.0 -40.0 PHI 134 134 B 83 ILE N B 83 ILE CA B 83 ILE C B 84 GLY N 1.0 -62.0 -22.0 PSI 135 135 B 83 ILE C B 84 GLY N B 84 GLY CA B 84 GLY C 1.0 -81.0 -41.0 PHI 136 136 B 84 GLY N B 84 GLY CA B 84 GLY C B 85 LEU N 1.0 -63.0 -23.0 PSI 137 137 B 84 GLY C B 85 LEU N B 85 LEU CA B 85 LEU C 1.0 -84.0 -44.0 PHI 138 138 B 85 LEU N B 85 LEU CA B 85 LEU C B 86 PHE N 1.0 -64.0 -24.0 PSI 139 139 B 85 LEU C B 86 PHE N B 86 PHE CA B 86 PHE C 1.0 -82.0 -42.0 PHI 140 140 B 86 PHE N B 86 PHE CA B 86 PHE C B 87 ILE N 1.0 -64.0 -24.0 PSI 141 141 B 86 PHE C B 87 ILE N B 87 ILE CA B 87 ILE C 1.0 -83.3 -43.3 PHI 142 142 B 87 ILE N B 87 ILE CA B 87 ILE C B 88 ARG N 1.0 -59.4 -19.4 PSI 143 143 B 87 ILE C B 88 ARG N B 88 ARG CA B 88 ARG C 1.0 -79.3 -39.3 PHI 144 144 B 88 ARG N B 88 ARG CA B 88 ARG C B 89 ARG N 1.0 -66.2 -26.2 PSI 145 145 B 88 ARG C B 89 ARG N B 89 ARG CA B 89 ARG C 1.0 -81.7 -41.7 PHI 146 146 B 89 ARG N B 89 ARG CA B 89 ARG C B 90 ARG N 1.0 -58.5 -18.5 PSI 147 147 B 89 ARG C B 90 ARG N B 90 ARG CA B 90 ARG C 1.0 -86.0 -46.0 PHI 148 148 B 90 ARG N B 90 ARG CA B 90 ARG C B 91 HIS N 1.0 -62.0 -22.0 PSI 149 149 B 90 ARG C B 91 HIS N B 91 HIS CA B 91 HIS C 1.0 -83.0 -43.0 PHI 150 150 B 91 HIS N B 91 HIS CA B 91 HIS C B 92 ILE N 1.0 -64.0 -16.0 PSI 151 151 B 91 HIS C B 92 ILE N B 92 ILE CA B 92 ILE C 1.0 -83.0 -43.0 PHI 152 152 B 92 ILE N B 92 ILE CA B 92 ILE C B 93 VAL N 1.0 -63.0 -11.0 PSI 153 153 B 92 ILE C B 93 VAL N B 93 VAL CA B 93 VAL C 1.0 -120.0 -40.0 PHI 154 154 B 93 VAL N B 93 VAL CA B 93 VAL C B 94 ARG N 1.0 -60.0 16.0 PSI 155 155 B 96 ARG C B 97 THR N B 97 THR CA B 97 THR C 1.0 -83.0 -43.0 PHI 156 156 B 97 THR N B 97 THR CA B 97 THR C B 98 LEU N 1.0 -70.0 -14.0 PSI 157 157 B 97 THR C B 98 LEU N B 98 LEU CA B 98 LEU C 1.0 -88.0 -44.0 PHI 158 158 B 98 LEU N B 98 LEU CA B 98 LEU C B 99 ARG N 1.0 -59.0 -7.0 PSI 159 159 B 98 LEU C B 99 ARG N B 99 ARG CA B 99 ARG C 1.0 -95.0 -47.0 PHI 160 160 B 99 ARG N B 99 ARG CA B 99 ARG C B 100 ARG N 1.0 -56.0 8.0 PSI 161 161 B 99 ARG C B 100 ARG N B 100 ARG CA B 100 ARG C 1.0 -102.0 -46.0 PHI 162 162 B 100 ARG N B 100 ARG CA B 100 ARG C B 101 LEU N 1.0 -77.0 23.0 PSI 163 163 B 100 ARG C B 101 LEU N B 101 LEU CA B 101 LEU C 1.0 -110.0 -42.0 PHI 164 164 B 101 LEU N B 101 LEU CA B 101 LEU C B 102 LEU N 1.0 -81.0 35.0 PSI 165 165 B 102 LEU C B 103 GLN N B 103 GLN CA B 103 GLN C 1.0 -119.0 -39.0 PHI 166 166 B 103 GLN N B 103 GLN CA B 103 GLN C B 104 GLU N 1.0 -70.0 14.0 PSI 167 167 B 103 GLN C B 104 GLU N B 104 GLU CA B 104 GLU C 1.0 -83.0 -43.0 PHI 168 168 B 104 GLU N B 104 GLU CA B 104 GLU C B 105 ARG N 1.0 -60.0 -20.0 PSI 169 169 B 104 GLU C B 105 ARG N B 105 ARG CA B 105 ARG C 1.0 -88.0 -48.0 PHI 170 170 B 105 ARG N B 105 ARG CA B 105 ARG C B 106 GLU N 1.0 -56.0 -12.0 PSI 171 171 B 105 ARG C B 106 GLU N B 106 GLU CA B 106 GLU C 1.0 -116.0 -44.0 PHI 172 172 B 106 GLU N B 106 GLU CA B 106 GLU C B 107 LEU N 1.0 -67.0 17.0 PSI 173 173 B 108 VAL C B 109 GLU N B 109 GLU CA B 109 GLU C 1.0 -111.0 -51.0 PHI 174 174 B 109 GLU N B 109 GLU CA B 109 GLU C B 110 PRO N 1.0 108.0 172.0 PSI 175 175 B 109 GLU C B 110 PRO N B 110 PRO CA B 110 PRO C 1.0 -87.0 -47.0 PHI 176 176 B 110 PRO N B 110 PRO CA B 110 PRO C B 111 LEU N 1.0 132.0 172.0 PSI 177 177 B 110 PRO C B 111 LEU N B 111 LEU CA B 111 LEU C 1.0 -142.0 -2.0 PHI 178 178 B 111 LEU N B 111 LEU CA B 111 LEU C B 112 THR N 1.0 89.0 165.0 PSI 179 179 B 111 LEU C B 112 THR N B 112 THR CA B 112 THR C 1.0 -142.0 -2.0 PHI 180 180 B 112 THR N B 112 THR CA B 112 THR C B 113 PRO N 1.0 89.0 165.0 PSI 181 181 B 116 GLU C B 117 LYS N B 117 LYS CA B 117 LYS C 1.0 -85.0 -45.0 PHI 182 182 B 117 LYS N B 117 LYS CA B 117 LYS C B 118 LEU N 1.0 -61.0 -21.0 PSI 183 183 B 117 LYS C B 118 LEU N B 118 LEU CA B 118 LEU C 1.0 -90.0 -50.0 PHI 184 184 B 118 LEU N B 118 LEU CA B 118 LEU C B 119 TRP N 1.0 -47.0 -7.0 PSI stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 5 ILE N A 5 ILE CA A 5 ILE CB A 5 ILE CG1 1.0 -90.0 -30.0 CHI1 2 2 A 7 THR N A 7 THR CA A 7 THR CB A 7 THR CG2 1.0 -90.0 -30.0 . 3 3 A 18 VAL N A 18 VAL CA A 18 VAL CB A 18 VAL CG1 1.0 150.0 210.0 CHI1 4 4 A 19 VAL N A 19 VAL CA A 19 VAL CB A 19 VAL CG1 1.0 150.0 210.0 CHI1 5 5 A 23 ILE N A 23 ILE CA A 23 ILE CB A 23 ILE CG1 1.0 -90.0 -30.0 CHI1 6 6 A 26 PHE N A 26 PHE CA A 26 PHE CB A 26 PHE CG 1.0 150.0 210.0 CHI1 7 7 A 27 ILE N A 27 ILE CA A 27 ILE CB A 27 ILE CG1 1.0 -90.0 -30.0 CHI1 8 8 A 32 ILE N A 32 ILE CA A 32 ILE CB A 32 ILE CG1 1.0 -90.0 -30.0 CHI1 9 9 A 33 VAL N A 33 VAL CA A 33 VAL CB A 33 VAL CG1 1.0 150.0 210.0 CHI1 10 10 A 37 THR N A 37 THR CA A 37 THR CB A 37 THR CG2 1.0 -90.0 -30.0 . 11 11 A 48 VAL N A 48 VAL CA A 48 VAL CB A 48 VAL CG1 1.0 150.0 210.0 CHI1 12 12 A 52 THR N A 52 THR CA A 52 THR CB A 52 THR CG2 1.0 -90.0 -30.0 . 13 13 A 58 LEU N A 58 LEU CA A 58 LEU CB A 58 LEU CG 1.0 -90.0 -30.0 CHI1 14 14 B 65 ILE N B 65 ILE CA B 65 ILE CB B 65 ILE CG1 1.0 -90.0 -30.0 CHI1 15 15 B 67 THR N B 67 THR CA B 67 THR CB B 67 THR CG2 1.0 -90.0 -30.0 . 16 16 B 78 VAL N B 78 VAL CA B 78 VAL CB B 78 VAL CG1 1.0 150.0 210.0 CHI1 17 17 B 79 VAL N B 79 VAL CA B 79 VAL CB B 79 VAL CG1 1.0 150.0 210.0 CHI1 18 18 B 83 ILE N B 83 ILE CA B 83 ILE CB B 83 ILE CG1 1.0 -90.0 -30.0 CHI1 19 19 B 86 PHE N B 86 PHE CA B 86 PHE CB B 86 PHE CG 1.0 150.0 210.0 CHI1 20 20 B 87 ILE N B 87 ILE CA B 87 ILE CB B 87 ILE CG1 1.0 -90.0 -30.0 CHI1 21 21 B 92 ILE N B 92 ILE CA B 92 ILE CB B 92 ILE CG1 1.0 -90.0 -30.0 CHI1 22 22 B 93 VAL N B 93 VAL CA B 93 VAL CB B 93 VAL CG1 1.0 150.0 210.0 CHI1 23 23 B 97 THR N B 97 THR CA B 97 THR CB B 97 THR CG2 1.0 -90.0 -30.0 . 24 24 B 108 VAL N B 108 VAL CA B 108 VAL CB B 108 VAL CG1 1.0 150.0 210.0 CHI1 25 25 B 112 THR N B 112 THR CA B 112 THR CB B 112 THR CG2 1.0 -90.0 -30.0 . 26 26 B 118 LEU N B 118 LEU CA B 118 LEU CB B 118 LEU CG 1.0 -90.0 -30.0 CHI1 stop_ save_