data_nef_c25804_2n7f save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2N7F stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 3 CYS SG 1 21 CYS SG 1 10 CYS SG 1 26 CYS SG 1 20 CYS SG 1 31 CYS SG stop_ 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 ARG start . . 2 A 2 ASP middle . . 3 A 3 CYS middle -HG . 4 A 4 GLN middle . . 5 A 5 GLU middle . . 6 A 6 LYS middle . . 7 A 7 TRP middle . . 8 A 8 GLU middle . . 9 A 9 TYR middle . . 10 A 10 CYS middle -HG . 11 A 11 ILE middle . . 12 A 12 VAL middle . . 13 A 13 PRO middle . false 14 A 14 ILE middle . . 15 A 15 LEU middle . . 16 A 16 GLY middle . false 17 A 17 PHE middle . . 18 A 18 VAL middle . . 19 A 19 TYR middle . . 20 A 20 CYS middle -HG . 21 A 21 CYS middle -HG . 22 A 22 PRO middle . false 23 A 23 GLY middle . false 24 A 24 LEU middle . . 25 A 25 ILE middle . . 26 A 26 CYS middle -HG . 27 A 27 GLY middle . false 28 A 28 PRO middle . false 29 A 29 PHE middle . . 30 A 30 VAL middle . . 31 A 31 CYS middle -HG . 32 A 32 VAL 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 ARG HA H 1 3.969 0.000 A 1 ARG HBx H 1 1.894 0.000 A 1 ARG HBy H 1 1.894 0.000 A 1 ARG HDx H 1 3.156 0.000 A 1 ARG HDy H 1 3.156 0.000 A 1 ARG HE H 1 7.197 0.000 A 1 ARG HGx H 1 1.654 0.000 A 1 ARG HGy H 1 1.654 0.000 A 1 ARG CA C 13 55.492 0.000 A 1 ARG CB C 13 30.867 0.000 A 1 ARG CD C 13 43.316 0.000 A 1 ARG CG C 13 26.457 0.000 A 1 ARG NE N 15 113.868 0.000 A 2 ASP H H 1 8.669 0.000 A 2 ASP HA H 1 4.778 0.000 A 2 ASP HBx H 1 2.806 0.000 A 2 ASP HBy H 1 2.869 0.000 A 2 ASP CA C 13 52.775 0.000 A 2 ASP CB C 13 37.967 0.000 A 2 ASP N N 15 121.625 0.000 A 3 CYS H H 1 7.661 0.000 A 3 CYS HA H 1 4.790 0.000 A 3 CYS HBx H 1 2.750 0.000 A 3 CYS HBy H 1 3.099 0.000 A 3 CYS CA C 13 53.912 0.000 A 3 CYS CB C 13 43.345 0.000 A 3 CYS N N 15 113.713 0.000 A 4 GLN H H 1 8.770 0.000 A 4 GLN HA H 1 4.440 0.000 A 4 GLN HBx H 1 1.807 0.000 A 4 GLN HBy H 1 2.005 0.000 A 4 GLN HE2x H 1 6.306 0.000 A 4 GLN HE2y H 1 8.275 0.000 A 4 GLN HGx H 1 1.890 0.001 A 4 GLN HGy H 1 2.536 0.000 A 4 GLN CB C 13 32.094 0.000 A 4 GLN CG C 13 33.538 0.000 A 4 GLN N N 15 118.330 0.000 A 5 GLU H H 1 7.629 0.000 A 5 GLU HA H 1 4.043 0.000 A 5 GLU HBx H 1 1.548 0.000 A 5 GLU HBy H 1 2.189 0.000 A 5 GLU HGx H 1 2.360 0.000 A 5 GLU HGy H 1 2.490 0.000 A 5 GLU CA C 13 53.922 0.000 A 5 GLU CB C 13 29.327 0.000 A 5 GLU CG C 13 32.961 0.000 A 5 GLU N N 15 120.832 0.000 A 6 LYS H H 1 7.670 0.000 A 6 LYS HA H 1 3.151 0.000 A 6 LYS HBx H 1 1.276 0.000 A 6 LYS HBy H 1 1.276 0.000 A 6 LYS HDx H 1 1.216 0.000 A 6 LYS HDy H 1 1.216 0.000 A 6 LYS HEx H 1 2.258 0.000 A 6 LYS HEy H 1 2.477 0.000 A 6 LYS HGx H 1 0.041 0.000 A 6 LYS HGy H 1 0.550 0.000 A 6 LYS HZ1 H 1 7.359 0.000 A 6 LYS HZ2 H 1 7.359 0.000 A 6 LYS HZ3 H 1 7.359 0.000 A 6 LYS CA C 13 59.015 0.000 A 6 LYS CB C 13 32.388 0.000 A 6 LYS CD C 13 29.675 0.000 A 6 LYS CE C 13 41.561 0.000 A 6 LYS CG C 13 25.021 0.000 A 6 LYS N N 15 119.543 0.000 A 7 TRP H H 1 8.913 0.000 A 7 TRP HA H 1 4.048 0.000 A 7 TRP HBx H 1 3.410 0.000 A 7 TRP HBy H 1 3.670 0.001 A 7 TRP HD1 H 1 6.993 0.000 A 7 TRP HE1 H 1 9.952 0.000 A 7 TRP HE3 H 1 7.425 0.000 A 7 TRP HH2 H 1 7.131 0.000 A 7 TRP HZ2 H 1 7.424 0.000 A 7 TRP HZ3 H 1 6.960 0.000 A 7 TRP CA C 13 58.717 0.000 A 7 TRP CB C 13 27.295 0.000 A 7 TRP CD1 C 13 126.765 0.000 A 7 TRP CE3 C 13 121.058 0.000 A 7 TRP CH2 C 13 124.212 0.000 A 7 TRP CZ2 C 13 114.185 0.000 A 7 TRP CZ3 C 13 121.584 0.000 A 7 TRP N N 15 115.545 0.000 A 7 TRP NE1 N 15 127.049 0.000 A 8 GLU H H 1 7.779 0.000 A 8 GLU HA H 1 4.413 0.000 A 8 GLU HBx H 1 2.068 0.000 A 8 GLU HBy H 1 2.068 0.000 A 8 GLU HGx H 1 2.234 0.000 A 8 GLU HGy H 1 2.259 0.000 A 8 GLU CB C 13 29.536 0.000 A 8 GLU CG C 13 34.064 0.000 A 8 GLU N N 15 115.184 0.000 A 9 TYR H H 1 7.863 0.000 A 9 TYR HA H 1 4.924 0.000 A 9 TYR HBx H 1 2.711 0.000 A 9 TYR HBy H 1 3.032 0.000 A 9 TYR HDx H 1 7.282 0.000 A 9 TYR HDy H 1 7.282 0.000 A 9 TYR HEx H 1 6.727 0.000 A 9 TYR HEy H 1 6.727 0.000 A 9 TYR CA C 13 59.058 0.000 A 9 TYR CB C 13 39.219 0.000 A 9 TYR CDy C 13 133.364 0.000 A 9 TYR CEy C 13 117.947 0.000 A 9 TYR N N 15 118.021 0.000 A 10 CYS H H 1 8.273 0.000 A 10 CYS HA H 1 4.933 0.000 A 10 CYS HBx H 1 2.457 0.000 A 10 CYS HBy H 1 2.914 0.000 A 10 CYS CA C 13 54.821 0.000 A 10 CYS CB C 13 40.569 0.000 A 11 ILE H H 1 8.313 0.000 A 11 ILE HA H 1 4.410 0.000 A 11 ILE HB H 1 1.598 0.000 A 11 ILE HD1% H 1 0.734 0.000 A 11 ILE HG1x H 1 0.937 0.000 A 11 ILE HG1y H 1 1.289 0.000 A 11 ILE HG2% H 1 0.747 0.000 A 11 ILE CB C 13 42.112 0.000 A 11 ILE CD1 C 13 13.501 0.000 A 11 ILE CG1 C 13 26.722 0.000 A 11 ILE CG2 C 13 17.847 0.000 A 11 ILE N N 15 115.502 0.000 A 12 VAL H H 1 8.218 0.000 A 12 VAL HA H 1 4.521 0.000 A 12 VAL HB H 1 2.035 0.000 A 12 VAL HGx% H 1 0.869 0.000 A 12 VAL HGy% H 1 0.816 0.000 A 12 VAL CA C 13 57.736 0.000 A 12 VAL CB C 13 34.704 0.000 A 12 VAL CGy C 13 21.426 0.000 A 12 VAL CGx C 13 20.635 0.000 A 13 PRO HA H 1 4.119 0.000 A 13 PRO HBy H 1 2.164 0.003 A 13 PRO HBx H 1 1.796 0.000 A 13 PRO HDx H 1 3.590 0.000 A 13 PRO HDy H 1 3.654 0.000 A 13 PRO HGy H 1 1.781 0.000 A 13 PRO HGx H 1 1.388 0.000 A 13 PRO CA C 13 64.402 0.000 A 13 PRO CB C 13 31.742 0.000 A 13 PRO CD C 13 50.568 0.000 A 13 PRO CG C 13 27.509 0.000 A 14 ILE H H 1 7.703 0.000 A 14 ILE HA H 1 4.117 0.000 A 14 ILE HB H 1 1.378 0.000 A 14 ILE HD1% H 1 0.820 0.000 A 14 ILE HG1x H 1 1.083 0.000 A 14 ILE HG1y H 1 1.388 0.000 A 14 ILE HG2% H 1 0.813 0.000 A 14 ILE CA C 13 55.871 0.000 A 14 ILE CB C 13 42.329 0.000 A 14 ILE CD1 C 13 12.771 0.000 A 14 ILE CG1 C 13 27.762 0.000 A 14 ILE CG2 C 13 17.629 0.000 A 16 GLY H H 1 7.983 0.000 A 16 GLY HAy H 1 4.068 0.000 A 16 GLY HAx H 1 3.376 0.000 A 16 GLY CA C 13 45.406 0.000 A 16 GLY N N 15 106.027 0.000 A 17 PHE H H 1 7.690 0.000 A 17 PHE HA H 1 4.509 0.000 A 17 PHE HBx H 1 2.788 0.003 A 17 PHE HBy H 1 2.978 0.000 A 17 PHE HDx H 1 7.146 0.000 A 17 PHE HDy H 1 7.146 0.000 A 17 PHE HEx H 1 6.724 0.000 A 17 PHE HEy H 1 6.724 0.000 A 17 PHE CB C 13 39.503 0.000 A 17 PHE CDx C 13 131.853 0.000 A 17 PHE CEx C 13 133.353 0.000 A 18 VAL H H 1 7.549 0.000 A 18 VAL HA H 1 4.893 0.000 A 18 VAL HB H 1 1.681 0.006 A 18 VAL HGx% H 1 0.761 0.000 A 18 VAL HGy% H 1 0.592 0.000 A 18 VAL CA C 13 58.728 0.000 A 18 VAL CB C 13 35.994 0.000 A 18 VAL CGy C 13 21.621 0.000 A 18 VAL CGx C 13 21.562 0.000 A 19 TYR H H 1 7.528 0.000 A 19 TYR HA H 1 4.419 0.000 A 19 TYR HBx H 1 2.770 0.000 A 19 TYR HBy H 1 3.003 0.000 A 19 TYR HDx H 1 6.975 0.000 A 19 TYR HDy H 1 6.975 0.000 A 19 TYR HEx H 1 6.665 0.000 A 19 TYR HEy H 1 6.665 0.000 A 19 TYR CB C 13 39.210 0.000 A 19 TYR CDx C 13 133.043 0.000 A 19 TYR CEy C 13 117.939 0.000 A 20 CYS H H 1 8.399 0.000 A 20 CYS HA H 1 4.912 0.000 A 20 CYS HBx H 1 2.477 0.000 A 20 CYS HBy H 1 2.940 0.006 A 20 CYS CA C 13 55.045 0.000 A 20 CYS CB C 13 40.529 0.000 A 21 CYS H H 1 9.291 0.000 A 21 CYS HA H 1 4.628 0.000 A 21 CYS HBx H 1 2.220 0.000 A 21 CYS HBy H 1 3.192 0.000 A 21 CYS CA C 13 53.306 0.000 A 21 CYS CB C 13 37.726 0.000 A 21 CYS N N 15 121.142 0.000 A 22 PRO HA H 1 4.216 0.000 A 22 PRO HBy H 1 2.228 0.000 A 22 PRO HBx H 1 1.724 0.000 A 22 PRO HDx H 1 3.503 0.000 A 22 PRO HDy H 1 3.842 0.000 A 22 PRO HGx H 1 1.959 0.000 A 22 PRO HGy H 1 2.051 0.000 A 22 PRO CA C 13 64.242 0.000 A 22 PRO CB C 13 31.749 0.000 A 22 PRO CD C 13 50.470 0.000 A 22 PRO CG C 13 27.773 0.000 A 23 GLY H H 1 8.603 0.000 A 23 GLY HAy H 1 4.205 0.000 A 23 GLY HAx H 1 3.425 0.000 A 23 GLY CA C 13 44.618 0.000 A 23 GLY N N 15 111.521 0.000 A 24 LEU H H 1 7.774 0.000 A 24 LEU HA H 1 4.706 0.000 A 24 LEU HBx H 1 1.013 0.000 A 24 LEU HBy H 1 2.021 0.000 A 24 LEU HDx% H 1 0.659 0.000 A 24 LEU HDy% H 1 0.487 0.000 A 24 LEU HG H 1 1.244 0.000 A 24 LEU CA C 13 52.692 0.000 A 24 LEU CB C 13 44.385 0.000 A 24 LEU CDy C 13 26.778 0.000 A 24 LEU CDx C 13 22.960 0.000 A 24 LEU CG C 13 26.543 0.000 A 24 LEU N N 15 119.440 0.000 A 25 ILE H H 1 8.265 0.000 A 25 ILE HA H 1 4.438 0.000 A 25 ILE HB H 1 1.625 0.000 A 25 ILE HD1% H 1 0.745 0.000 A 25 ILE HG1x H 1 0.931 0.000 A 25 ILE HG1y H 1 1.263 0.000 A 25 ILE HG2% H 1 0.745 0.000 A 25 ILE CB C 13 42.336 0.000 A 25 ILE CD1 C 13 13.343 0.000 A 25 ILE CG1 C 13 26.785 0.000 A 25 ILE CG2 C 13 17.558 0.000 A 25 ILE N N 15 114.487 0.000 A 26 CYS H H 1 8.668 0.000 A 26 CYS HA H 1 4.624 0.000 A 26 CYS HBx H 1 2.936 0.000 A 26 CYS HBy H 1 2.987 0.000 A 26 CYS CA C 13 55.914 0.000 A 26 CYS CB C 13 39.778 0.000 A 26 CYS N N 15 123.741 0.000 A 27 GLY H H 1 8.330 0.000 A 27 GLY HAy H 1 4.396 0.000 A 27 GLY HAx H 1 3.623 0.000 A 27 GLY CA C 13 43.012 0.000 A 27 GLY N N 15 118.253 0.000 A 28 PRO HA H 1 4.490 0.000 A 28 PRO HBy H 1 2.282 0.000 A 28 PRO HBx H 1 1.772 0.000 A 28 PRO HDx H 1 3.611 0.000 A 28 PRO HDy H 1 3.611 0.000 A 28 PRO HGx H 1 1.974 0.004 A 28 PRO HGy H 1 2.053 0.006 A 28 PRO CA C 13 62.587 0.000 A 28 PRO CB C 13 27.868 0.000 A 28 PRO CD C 13 50.176 0.000 A 28 PRO CG C 13 27.520 0.000 A 29 PHE H H 1 8.257 0.000 A 29 PHE HA H 1 3.643 0.000 A 29 PHE HBx H 1 3.508 0.000 A 29 PHE HBy H 1 3.634 0.000 A 29 PHE HDx H 1 7.254 0.000 A 29 PHE HDy H 1 7.254 0.000 A 29 PHE HEx H 1 7.318 0.000 A 29 PHE HEy H 1 7.318 0.000 A 29 PHE CA C 13 50.361 0.000 A 29 PHE CB C 13 37.549 0.000 A 29 PHE N N 15 110.773 0.000 A 30 VAL H H 1 6.842 0.000 A 30 VAL HA H 1 4.998 0.000 A 30 VAL HB H 1 1.602 0.000 A 30 VAL HGx% H 1 0.597 0.000 A 30 VAL HGy% H 1 0.710 0.000 A 30 VAL CA C 13 58.219 0.000 A 30 VAL CB C 13 36.646 0.000 A 30 VAL CGx C 13 21.553 0.000 A 30 VAL CGy C 13 21.559 0.000 A 30 VAL N N 15 108.125 0.000 A 31 CYS H H 1 8.515 0.000 A 31 CYS HA H 1 4.931 0.000 A 31 CYS HBx H 1 2.464 0.000 A 31 CYS HBy H 1 3.013 0.000 A 31 CYS CA C 13 55.292 0.000 A 31 CYS CB C 13 40.733 0.000 A 31 CYS N N 15 121.703 0.000 A 32 VAL H H 1 9.485 0.000 A 32 VAL HA H 1 4.226 0.000 A 32 VAL HB H 1 2.063 0.000 A 32 VAL HGx% H 1 0.810 0.000 A 32 VAL HGy% H 1 0.740 0.000 A 32 VAL CA C 13 59.273 0.000 A 32 VAL CB C 13 34.730 0.000 A 32 VAL CGy C 13 23.298 0.000 A 32 VAL CGx C 13 21.940 0.000 A 32 VAL N N 15 117.995 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 32 VAL H A 32 VAL HGy% 1.0 0.0 4.09 2 2 A 21 CYS H A 21 CYS HBx 1.0 0.0 3.50 3 3 A 21 CYS H A 21 CYS HBy 1.0 0.0 3.77 4 4 A 4 GLN H A 4 GLN HBy 1.0 0.0 3.78 5 5 A 4 GLN H A 4 GLN HGx 1.0 0.0 3.90 6 6 A 26 CYS H A 26 CYS HBx 1.0 0.0 3.33 7 7 A 2 ASP H A 2 ASP HBy 1.0 0.0 3.96 8 8 A 22 PRO HA A 23 GLY H 1.0 0.0 2.59 9 9 A 31 CYS H A 31 CYS HBx 1.0 0.0 3.44 10 10 A 27 GLY H A 28 PRO HDx 1.0 0.0 3.38 11 10 A 27 GLY H A 28 PRO HDy 1.0 0.0 3.38 12 11 A 11 ILE H A 11 ILE HG2% 1.0 0.0 4.07 13 12 A 11 ILE H A 11 ILE HD1% 1.0 0.0 4.53 14 13 A 25 ILE H A 25 ILE HG2% 1.0 0.0 3.50 15 14 A 25 ILE H A 25 ILE HB 1.0 0.0 3.97 16 15 A 25 ILE H A 25 ILE HG1y 1.0 0.0 3.83 17 16 A 5 GLU H A 5 GLU HGy 1.0 0.0 3.40 18 17 A 5 GLU H A 5 GLU HGx 1.0 0.0 3.66 19 18 A 5 GLU H A 5 GLU HBx 1.0 0.0 3.07 20 19 A 5 GLU H A 5 GLU HBy 1.0 0.0 3.56 21 20 A 30 VAL H A 30 VAL HGx% 1.0 0.0 3.85 22 21 A 30 VAL H A 30 VAL HGy% 1.0 0.0 3.16 23 22 A 1 ARG HE A 1 ARG HBx 1.0 0.0 3.78 24 22 A 1 ARG HE A 1 ARG HBy 1.0 0.0 3.78 25 23 A 6 LYS H A 6 LYS HGy 1.0 0.0 4.25 26 24 A 6 LYS H A 6 LYS HGx 1.0 0.0 4.25 27 25 A 3 CYS H A 3 CYS HBy 1.0 0.0 4.14 28 26 A 3 CYS H A 3 CYS HBx 1.0 0.0 4.14 29 27 A 18 VAL H A 18 VAL HGy% 1.0 0.0 5.12 30 28 A 18 VAL H A 18 VAL HGx% 1.0 0.0 5.12 31 29 A 9 TYR H A 9 TYR HBx 1.0 0.0 3.86 32 30 A 9 TYR H A 9 TYR HBy 1.0 0.0 3.86 33 31 A 8 GLU H A 8 GLU HBx 1.0 0.0 3.47 34 31 A 8 GLU H A 8 GLU HBy 1.0 0.0 3.47 35 32 A 32 VAL H A 31 CYS HA 1.0 0.0 3.09 36 33 A 32 VAL H A 31 CYS HBy 1.0 0.0 3.87 37 34 A 31 CYS H A 30 VAL HA 1.0 0.0 3.15 38 35 A 31 CYS H A 30 VAL HB 1.0 0.0 3.52 39 36 A 31 CYS H A 30 VAL HGy% 1.0 0.0 3.97 40 37 A 31 CYS H A 30 VAL HGx% 1.0 0.0 3.80 41 38 A 29 PHE HA A 29 PHE HD% 1.0 0.0 3.90 42 39 A 29 PHE HA A 29 PHE HE% 1.0 0.0 4.84 43 40 A 30 VAL H A 29 PHE HBx 1.0 0.0 4.53 44 41 A 30 VAL H A 29 PHE HBy 1.0 0.0 4.53 45 42 A 7 TRP HA A 7 TRP HD1 1.0 0.0 4.70 46 43 A 7 TRP HD1 A 7 TRP HBy 1.0 0.0 3.80 47 44 A 7 TRP HD1 A 7 TRP HBx 1.0 0.0 3.41 48 45 A 8 GLU H A 8 GLU HGx 1.0 0.0 3.24 49 46 A 9 TYR H A 8 GLU HGy 1.0 0.0 4.34 50 47 A 9 TYR H A 8 GLU HBx 1.0 0.0 3.83 51 47 A 9 TYR H A 8 GLU HBy 1.0 0.0 3.83 52 48 A 8 GLU HGx A 8 GLU HA 1.0 0.0 3.51 53 49 A 8 GLU HGy A 8 GLU HA 1.0 0.0 3.87 54 50 A 8 GLU H A 7 TRP HBy 1.0 0.0 4.50 55 51 A 32 VAL HGy% A 32 VAL HA 1.0 0.0 3.15 56 52 A 30 VAL HGy% A 30 VAL HA 1.0 0.0 3.82 57 53 A 30 VAL HGx% A 30 VAL HA 1.0 0.0 3.54 58 54 A 9 TYR H A 9 TYR HD% 1.0 0.0 4.16 59 55 A 9 TYR HD% A 9 TYR HA 1.0 0.0 3.42 60 56 A 9 TYR HA A 9 TYR HE% 1.0 0.0 4.61 61 57 A 25 ILE H A 31 CYS HBy 1.0 0.0 4.74 62 58 A 6 LYS HA A 6 LYS HDx 1.0 0.0 4.40 63 58 A 6 LYS HA A 6 LYS HDy 1.0 0.0 4.40 64 59 A 6 LYS HGx A 6 LYS HA 1.0 0.0 4.00 65 60 A 6 LYS HGy A 6 LYS HA 1.0 0.0 4.13 66 61 A 6 LYS HGy A 7 TRP HA 1.0 0.0 5.01 67 62 A 6 LYS HGy A 32 VAL HA 1.0 0.0 4.35 68 63 A 6 LYS H A 6 LYS HBx 1.0 0.0 2.75 69 63 A 6 LYS H A 6 LYS HBy 1.0 0.0 2.75 70 64 A 6 LYS H A 6 LYS HDx 1.0 0.0 3.54 71 64 A 6 LYS H A 6 LYS HDy 1.0 0.0 3.54 72 65 A 31 CYS HBy A 6 LYS HBx 1.0 0.0 4.11 73 65 A 31 CYS HBy A 6 LYS HBy 1.0 0.0 4.11 74 66 A 7 TRP HD1 A 6 LYS HDx 1.0 0.0 3.84 75 66 A 7 TRP HD1 A 6 LYS HDy 1.0 0.0 3.84 76 67 A 6 LYS HGx A 7 TRP HD1 1.0 0.0 4.21 77 68 A 6 LYS HGy A 7 TRP HD1 1.0 0.0 3.88 78 69 A 6 LYS HGy A 7 TRP HE3 1.0 0.0 5.09 79 70 A 6 LYS HGy A 7 TRP HZ2 1.0 0.0 5.41 80 71 A 6 LYS HGy A 8 GLU H 1.0 0.0 5.18 81 72 A 7 TRP HBy A 7 TRP HE3 1.0 0.0 3.73 82 73 A 23 GLY H A 22 PRO HDy 1.0 0.0 5.50 83 74 A 21 CYS HBx A 22 PRO HDx 1.0 0.0 3.79 84 75 A 23 GLY H A 22 PRO HBy 1.0 0.0 3.56 85 76 A 23 GLY H A 22 PRO HBx 1.0 0.0 3.89 86 77 A 22 PRO HDx A 21 CYS HA 1.0 0.0 3.35 87 78 A 22 PRO HDy A 21 CYS HA 1.0 0.0 3.72 88 79 A 21 CYS HA A 22 PRO HGx 1.0 0.0 4.75 89 80 A 21 CYS HA A 22 PRO HGy 1.0 0.0 4.75 90 81 A 22 PRO HBx A 21 CYS HA 1.0 0.0 4.94 91 82 A 24 LEU HA A 24 LEU HG 1.0 0.0 3.67 92 83 A 24 LEU HA A 24 LEU HDx% 1.0 0.0 4.04 93 84 A 24 LEU HA A 24 LEU HDy% 1.0 0.0 3.00 94 85 A 22 PRO HA A 24 LEU HG 1.0 0.0 4.63 95 86 A 24 LEU HG A 23 GLY HAx 1.0 0.0 4.88 96 87 A 24 LEU HDy% A 23 GLY HAx 1.0 0.0 3.84 97 88 A 24 LEU HDx% A 24 LEU HBy 1.0 0.0 3.13 98 89 A 24 LEU HDy% A 24 LEU HBy 1.0 0.0 3.50 99 90 A 24 LEU HDy% A 24 LEU HBx 1.0 0.0 3.41 100 91 A 24 LEU HDx% A 24 LEU HBx 1.0 0.0 3.34 101 92 A 24 LEU HBy A 24 LEU H 1.0 0.0 3.85 102 93 A 24 LEU HG A 24 LEU H 1.0 0.0 3.39 103 94 A 24 LEU HBx A 24 LEU H 1.0 0.0 3.89 104 95 A 24 LEU HDx% A 24 LEU H 1.0 0.0 4.05 105 96 A 24 LEU HDy% A 24 LEU H 1.0 0.0 3.97 106 97 A 25 ILE HG2% A 25 ILE HA 1.0 0.0 3.21 107 98 A 25 ILE HB A 25 ILE HD1% 1.0 0.0 3.28 108 99 A 25 ILE H A 25 ILE HG1x 1.0 0.0 3.83 109 100 A 25 ILE H A 24 LEU HA 1.0 0.0 3.04 110 101 A 25 ILE H A 24 LEU HBy 1.0 0.0 3.65 111 102 A 25 ILE H A 24 LEU HBx 1.0 0.0 3.60 112 103 A 25 ILE H A 24 LEU HDx% 1.0 0.0 4.50 113 104 A 25 ILE H A 24 LEU HDy% 1.0 0.0 4.07 114 105 A 26 CYS H A 25 ILE HA 1.0 0.0 3.04 115 106 A 26 CYS H A 25 ILE HB 1.0 0.0 3.56 116 107 A 26 CYS H A 25 ILE HG2% 1.0 0.0 3.87 117 108 A 28 PRO HA A 29 PHE H 1.0 0.0 3.52 118 109 A 29 PHE H A 28 PRO HBy 1.0 0.0 4.49 119 110 A 29 PHE H A 28 PRO HGx 1.0 0.0 4.34 120 111 A 29 PHE H A 28 PRO HBx 1.0 0.0 4.49 121 112 A 29 PHE H A 28 PRO HGy 1.0 0.0 4.34 122 113 A 27 GLY H A 26 CYS HA 1.0 0.0 3.14 123 114 A 27 GLY H A 26 CYS HBy 1.0 0.0 4.47 124 115 A 26 CYS HBx A 27 GLY H 1.0 0.0 4.77 125 116 A 2 ASP H A 2 ASP HBx 1.0 0.0 3.96 126 117 A 14 ILE H A 14 ILE HG2% 1.0 0.0 4.57 127 118 A 14 ILE H A 14 ILE HD1% 1.0 0.0 5.11 128 119 A 7 TRP HBx A 7 TRP HE1 1.0 0.0 4.96 129 120 A 7 TRP HBy A 7 TRP HE1 1.0 0.0 5.25 130 121 A 6 LYS HGy A 7 TRP HE1 1.0 0.0 4.15 131 122 A 6 LYS HGx A 7 TRP HE1 1.0 0.0 4.69 132 123 A 7 TRP HE1 A 6 LYS HDx 1.0 0.0 3.51 133 123 A 6 LYS HDy A 7 TRP HE1 1.0 0.0 3.51 134 124 A 7 TRP HE1 A 6 LYS HEy 1.0 0.0 4.69 135 125 A 7 TRP HE1 A 6 LYS HEx 1.0 0.0 4.69 136 126 A 32 VAL H A 31 CYS H 1.0 0.0 4.70 137 127 A 32 VAL H A 27 GLY H 1.0 0.0 4.94 138 128 A 4 GLN H A 5 GLU H 1.0 0.0 4.75 139 129 A 4 GLN H A 4 GLN HE2x 1.0 0.0 4.86 140 130 A 26 CYS H A 25 ILE H 1.0 0.0 4.40 141 131 A 26 CYS H A 27 GLY H 1.0 0.0 4.46 142 132 A 31 CYS H A 10 CYS H 1.0 0.0 5.44 143 133 A 31 CYS H A 8 GLU H 1.0 0.0 4.27 144 134 A 23 GLY H A 24 LEU H 1.0 0.0 3.28 145 135 A 2 ASP H A 3 CYS H 1.0 0.0 4.18 146 136 A 2 ASP H A 1 ARG HE 1.0 0.0 5.19 147 137 A 9 TYR H A 4 GLN HE2y 1.0 0.0 5.50 148 138 A 30 VAL H A 29 PHE H 1.0 0.0 3.56 149 139 A 27 GLY H A 30 VAL H 1.0 0.0 4.56 150 140 A 31 CYS H A 30 VAL H 1.0 0.0 4.83 151 141 A 29 PHE HD% A 29 PHE H 1.0 0.0 4.32 152 142 A 8 GLU H A 10 CYS H 1.0 0.0 5.11 153 143 A 25 ILE H A 24 LEU H 1.0 0.0 5.44 154 144 A 9 TYR H A 10 CYS H 1.0 0.0 4.45 155 145 A 17 PHE H A 17 PHE HD% 1.0 0.0 4.64 156 146 A 6 LYS H A 5 GLU HA 1.0 0.0 3.03 157 147 A 5 GLU HGy A 6 LYS H 1.0 0.0 4.63 158 148 A 5 GLU HGx A 6 LYS H 1.0 0.0 4.05 159 149 A 5 GLU HBy A 6 LYS H 1.0 0.0 3.29 160 150 A 5 GLU H A 4 GLN HA 1.0 0.0 2.92 161 151 A 4 GLN HGx A 5 GLU H 1.0 0.0 4.49 162 152 A 5 GLU H A 4 GLN HGy 1.0 0.0 4.16 163 153 A 4 GLN HBy A 5 GLU H 1.0 0.0 4.27 164 154 A 5 GLU H A 4 GLN HBx 1.0 0.0 4.05 165 155 A 4 GLN HGx A 4 GLN HE2y 1.0 0.0 4.04 166 156 A 4 GLN HBy A 4 GLN HE2x 1.0 0.0 4.11 167 157 A 4 GLN HBy A 4 GLN HE2y 1.0 0.0 4.50 168 158 A 4 GLN HE2y A 4 GLN HBx 1.0 0.0 5.06 169 159 A 4 GLN H A 3 CYS HA 1.0 0.0 3.17 170 160 A 4 GLN H A 3 CYS HBx 1.0 0.0 3.78 171 161 A 4 GLN H A 3 CYS HBy 1.0 0.0 3.78 172 162 A 3 CYS H A 2 ASP HA 1.0 0.0 2.95 173 163 A 3 CYS H A 2 ASP HBx 1.0 0.0 4.74 174 164 A 3 CYS H A 2 ASP HBy 1.0 0.0 4.74 175 165 A 2 ASP H A 1 ARG HBx 1.0 0.0 3.48 176 165 A 2 ASP H A 1 ARG HBy 1.0 0.0 3.48 177 166 A 2 ASP H A 1 ARG HA 1.0 0.0 2.83 178 167 A 1 ARG HA A 1 ARG HDx 1.0 0.0 5.41 179 167 A 1 ARG HA A 1 ARG HDy 1.0 0.0 5.41 180 168 A 1 ARG HBy A 1 ARG HDx 1.0 0.0 3.56 181 168 A 1 ARG HBx A 1 ARG HDx 1.0 0.0 3.56 182 168 A 1 ARG HDy A 1 ARG HBx 1.0 0.0 3.56 183 168 A 1 ARG HBy A 1 ARG HDy 1.0 0.0 3.56 184 169 A 4 GLN HE2x A 20 CYS HA 1.0 0.0 3.94 185 170 A 10 CYS H A 9 TYR HBx 1.0 0.0 4.64 186 171 A 10 CYS H A 9 TYR HBy 1.0 0.0 4.64 187 172 A 12 VAL HA A 12 VAL HGx% 1.0 0.0 3.92 188 173 A 11 ILE H A 11 ILE HG1x 1.0 0.0 4.59 189 174 A 11 ILE H A 11 ILE HG1y 1.0 0.0 4.59 190 175 A 11 ILE H A 10 CYS HBx 1.0 0.0 4.89 191 176 A 11 ILE H A 10 CYS HBy 1.0 0.0 4.43 192 177 A 11 ILE HG2% A 11 ILE HA 1.0 0.0 3.46 193 178 A 31 CYS HA A 30 VAL HA 1.0 0.0 4.52 194 179 A 17 PHE HD% A 17 PHE HA 1.0 0.0 3.81 195 180 A 21 CYS H A 20 CYS HA 1.0 0.0 3.24 196 181 A 21 CYS H A 20 CYS HBx 1.0 0.0 4.12 197 182 A 21 CYS H A 20 CYS HBy 1.0 0.0 4.12 198 183 A 5 GLU H A 8 GLU HGx 1.0 0.0 3.71 199 184 A 19 TYR HBy A 20 CYS H 1.0 0.0 4.78 200 185 A 20 CYS H A 19 TYR HBx 1.0 0.0 4.78 201 186 A 32 VAL H A 25 ILE H 1.0 0.0 3.66 202 187 A 32 VAL H A 24 LEU HDy% 1.0 0.0 4.46 203 188 A 32 VAL H A 24 LEU HDx% 1.0 0.0 4.70 204 189 A 32 VAL H A 24 LEU HBx 1.0 0.0 4.34 205 190 A 32 VAL H A 24 LEU HBy 1.0 0.0 4.66 206 191 A 32 VAL H A 24 LEU HA 1.0 0.0 4.49 207 192 A 32 VAL H A 26 CYS HA 1.0 0.0 4.25 208 193 A 21 CYS H A 4 GLN HBy 1.0 0.0 5.18 209 194 A 21 CYS H A 24 LEU HDx% 1.0 0.0 3.59 210 195 A 21 CYS H A 24 LEU HG 1.0 0.0 5.04 211 196 A 5 GLU HGy A 5 GLU HA 1.0 0.0 3.71 212 197 A 5 GLU HGx A 5 GLU HA 1.0 0.0 3.63 213 198 A 4 GLN HA A 4 GLN HGy 1.0 0.0 4.11 214 199 A 11 ILE HD1% A 11 ILE HB 1.0 0.0 3.54 215 200 A 12 VAL HA A 12 VAL HGy% 1.0 0.0 3.92 216 201 A 32 VAL HGy% A 7 TRP HE1 1.0 0.0 4.64 217 202 A 32 VAL H A 32 VAL HGx% 1.0 0.0 3.22 218 203 A 21 CYS H A 24 LEU HBx 1.0 0.0 5.18 219 204 A 21 CYS H A 24 LEU HDy% 1.0 0.0 5.29 220 205 A 21 CYS H A 5 GLU HA 1.0 0.0 4.60 221 206 A 21 CYS H A 3 CYS HA 1.0 0.0 5.12 222 207 A 21 CYS H A 22 PRO HDy 1.0 0.0 5.29 223 208 A 32 VAL H A 28 PRO HDx 1.0 0.0 5.50 224 208 A 32 VAL H A 28 PRO HDy 1.0 0.0 5.50 225 209 A 32 VAL H A 26 CYS HBx 1.0 0.0 5.50 226 210 A 32 VAL H A 32 VAL HB 1.0 0.0 4.17 227 211 A 32 VAL H A 25 ILE HB 1.0 0.0 5.41 228 212 A 30 VAL H A 31 CYS HA 1.0 0.0 5.03 229 213 A 30 VAL H A 26 CYS HA 1.0 0.0 5.17 230 214 A 30 VAL H A 28 PRO HA 1.0 0.0 5.02 231 215 A 30 VAL H A 28 PRO HGx 1.0 0.0 4.94 232 216 A 30 VAL H A 28 PRO HGy 1.0 0.0 4.94 233 217 A 30 VAL H A 32 VAL HGx% 1.0 0.0 5.50 234 218 A 7 TRP HD1 A 32 VAL HA 1.0 0.0 5.50 235 219 A 4 GLN H A 20 CYS HA 1.0 0.0 3.67 236 220 A 26 CYS H A 31 CYS HA 1.0 0.0 5.17 237 221 A 8 GLU HGy A 4 GLN HE2y 1.0 0.0 5.50 238 222 A 4 GLN HE2y A 8 GLU HBx 1.0 0.0 4.34 239 222 A 8 GLU HBy A 4 GLN HE2y 1.0 0.0 4.34 240 223 A 23 GLY H A 24 LEU HG 1.0 0.0 4.52 241 224 A 23 GLY H A 24 LEU HDx% 1.0 0.0 5.50 242 225 A 23 GLY H A 24 LEU HDy% 1.0 0.0 5.16 243 226 A 8 GLU H A 10 CYS HBx 1.0 0.0 4.69 244 227 A 31 CYS HBx A 8 GLU H 1.0 0.0 3.99 245 228 A 8 GLU H A 6 LYS HA 1.0 0.0 3.98 246 229 A 7 TRP HE3 A 32 VAL HB 1.0 0.0 5.50 247 230 A 7 TRP HZ2 A 32 VAL HB 1.0 0.0 5.50 248 231 A 31 CYS HA A 26 CYS HA 1.0 0.0 4.09 249 232 A 8 GLU HA A 9 TYR HA 1.0 0.0 5.50 250 233 A 11 ILE HA A 10 CYS HA 1.0 0.0 5.50 251 234 A 30 VAL HA A 10 CYS HBx 1.0 0.0 5.50 252 235 A 31 CYS HBx A 30 VAL HA 1.0 0.0 4.81 253 236 A 30 VAL HA A 7 TRP HA 1.0 0.0 5.35 254 237 A 31 CYS HA A 32 VAL HGx% 1.0 0.0 4.78 255 238 A 25 ILE HB A 31 CYS HA 1.0 0.0 5.50 256 239 A 21 CYS HBy A 22 PRO HDx 1.0 0.0 3.15 257 240 A 21 CYS HBy A 22 PRO HDy 1.0 0.0 3.49 258 241 A 6 LYS HA A 5 GLU HA 1.0 0.0 4.47 259 242 A 31 CYS HBx A 7 TRP HA 1.0 0.0 4.79 260 243 A 32 VAL HA A 6 LYS HA 1.0 0.0 4.53 261 244 A 31 CYS HBx A 32 VAL HA 1.0 0.0 5.32 262 245 A 22 PRO HDx A 3 CYS HBx 1.0 0.0 5.42 263 246 A 22 PRO HDx A 3 CYS HBy 1.0 0.0 5.42 264 247 A 1 ARG HA A 2 ASP HBy 1.0 0.0 5.50 265 248 A 1 ARG HA A 2 ASP HBx 1.0 0.0 5.50 266 249 A 4 GLN HGx A 3 CYS HA 1.0 0.0 5.22 267 250 A 4 GLN HGx A 20 CYS HA 1.0 0.0 4.67 268 251 A 5 GLU HGy A 4 GLN HA 1.0 0.0 5.07 269 252 A 24 LEU HDy% A 6 LYS HEy 1.0 0.0 4.37 270 253 A 24 LEU HDy% A 6 LYS HEx 1.0 0.0 4.37 271 254 A 31 CYS HBy A 24 LEU HDy% 1.0 0.0 4.44 272 255 A 31 CYS HBx A 24 LEU HDy% 1.0 0.0 4.91 273 256 A 31 CYS HBx A 24 LEU HDx% 1.0 0.0 3.51 274 257 A 31 CYS HBy A 24 LEU HDx% 1.0 0.0 3.18 275 258 A 5 GLU HGx A 24 LEU HDx% 1.0 0.0 5.27 276 259 A 31 CYS HBx A 24 LEU HBx 1.0 0.0 4.40 277 260 A 31 CYS HBx A 24 LEU HBy 1.0 0.0 4.35 278 261 A 31 CYS HBy A 24 LEU HBy 1.0 0.0 3.26 279 262 A 31 CYS HA A 24 LEU HBx 1.0 0.0 4.81 280 263 A 4 GLN HBy A 20 CYS HA 1.0 0.0 3.94 281 264 A 4 GLN HBy A 3 CYS HA 1.0 0.0 4.66 282 265 A 2 ASP HA A 1 ARG HBx 1.0 0.0 4.53 283 265 A 1 ARG HBy A 2 ASP HA 1.0 0.0 4.53 284 266 A 4 GLN HGy A 20 CYS HA 1.0 0.0 4.31 285 267 A 30 VAL HGx% A 29 PHE HBx 1.0 0.0 4.78 286 268 A 30 VAL HGx% A 29 PHE HBy 1.0 0.0 4.78 287 269 A 5 GLU HGx A 4 GLN HA 1.0 0.0 5.50 288 270 A 30 VAL HB A 7 TRP HA 1.0 0.0 3.68 289 271 A 32 VAL HA A 7 TRP HE1 1.0 0.0 5.50 290 272 A 32 VAL H A 25 ILE HA 1.0 0.0 5.22 291 273 A 3 CYS H A 1 ARG HBx 1.0 0.0 4.59 292 273 A 1 ARG HBy A 3 CYS H 1.0 0.0 4.59 293 274 A 5 GLU H A 8 GLU HBx 1.0 0.0 4.31 294 274 A 5 GLU H A 8 GLU HBy 1.0 0.0 4.31 295 275 A 6 LYS H A 24 LEU HDx% 1.0 0.0 3.20 296 276 A 30 VAL HGx% A 10 CYS H 1.0 0.0 5.06 297 277 A 30 VAL HGx% A 29 PHE H 1.0 0.0 5.26 298 278 A 21 CYS H A 4 GLN H 1.0 0.0 4.12 299 279 A 32 VAL H A 26 CYS H 1.0 0.0 5.50 300 280 A 22 PRO HDy A 3 CYS HBy 1.0 0.0 4.68 301 281 A 22 PRO HDy A 3 CYS HBx 1.0 0.0 4.68 302 282 A 26 CYS HBx A 25 ILE HA 1.0 0.0 4.34 303 283 A 21 CYS HA A 3 CYS HBy 1.0 0.0 3.65 304 284 A 21 CYS HA A 3 CYS HBx 1.0 0.0 3.65 305 285 A 30 VAL HB A 9 TYR HA 1.0 0.0 5.50 306 286 A 31 CYS HA A 30 VAL HB 1.0 0.0 5.50 307 287 A 31 CYS HBx A 30 VAL HGx% 1.0 0.0 5.50 308 288 A 30 VAL HGx% A 9 TYR HA 1.0 0.0 3.96 309 289 A 30 VAL HGy% A 31 CYS HA 1.0 0.0 4.70 310 290 A 31 CYS HA A 24 LEU HDy% 1.0 0.0 5.50 311 291 A 32 VAL HA A 32 VAL HGx% 1.0 0.0 3.33 312 292 A 21 CYS H A 3 CYS HBy 1.0 0.0 4.83 313 293 A 8 GLU HGx A 6 LYS HA 1.0 0.0 4.99 314 294 A 21 CYS H A 3 CYS HBx 1.0 0.0 4.83 315 295 A 32 VAL H A 6 LYS HA 1.0 0.0 5.50 316 296 A 4 GLN H A 21 CYS HA 1.0 0.0 4.55 317 297 A 2 ASP H A 1 ARG HDx 1.0 0.0 4.84 318 297 A 2 ASP H A 1 ARG HDy 1.0 0.0 4.84 319 298 A 23 GLY H A 24 LEU HA 1.0 0.0 5.24 320 299 A 31 CYS H A 6 LYS HA 1.0 0.0 4.80 321 300 A 31 CYS H A 7 TRP HA 1.0 0.0 4.49 322 301 A 4 GLN H A 24 LEU HDx% 1.0 0.0 5.19 323 302 A 26 CYS H A 31 CYS HBy 1.0 0.0 5.08 324 303 A 22 PRO HA A 24 LEU H 1.0 0.0 3.69 325 304 A 6 LYS H A 24 LEU HDy% 1.0 0.0 4.05 326 305 A 30 VAL HGx% A 7 TRP HE3 1.0 0.0 4.29 327 306 A 30 VAL HGy% A 7 TRP HE3 1.0 0.0 3.16 328 307 A 9 TYR HA A 8 GLU HBx 1.0 0.0 5.41 329 307 A 8 GLU HBy A 9 TYR HA 1.0 0.0 5.41 330 308 A 10 CYS HA A 8 GLU HBx 1.0 0.0 5.50 331 308 A 8 GLU HBy A 10 CYS HA 1.0 0.0 5.50 332 309 A 32 VAL HA A 6 LYS HBx 1.0 0.0 4.43 333 309 A 32 VAL HA A 6 LYS HBy 1.0 0.0 4.43 334 310 A 30 VAL HGy% A 7 TRP HA 1.0 0.0 3.37 335 311 A 24 LEU HDx% A 5 GLU HA 1.0 0.0 3.69 336 312 A 30 VAL HGx% A 7 TRP HA 1.0 0.0 3.85 337 313 A 6 LYS HGx A 5 GLU HA 1.0 0.0 5.50 338 314 A 6 LYS HGx A 7 TRP HA 1.0 0.0 5.50 339 315 A 24 LEU HDy% A 5 GLU HA 1.0 0.0 5.11 340 316 A 24 LEU HDx% A 20 CYS HA 1.0 0.0 4.59 341 317 A 6 LYS HA A 24 LEU HDy% 1.0 0.0 3.82 342 318 A 6 LYS HA A 24 LEU HDx% 1.0 0.0 3.40 343 319 A 30 VAL H A 27 GLY HAx 1.0 0.0 5.50 344 320 A 31 CYS H A 10 CYS HBx 1.0 0.0 3.83 345 321 A 6 LYS H A 8 GLU H 1.0 0.0 4.32 346 322 A 32 VAL H A 6 LYS HGx 1.0 0.0 5.50 347 323 A 31 CYS HBy A 24 LEU HBx 1.0 0.0 3.64 348 324 A 31 CYS HBy A 24 LEU HA 1.0 0.0 4.59 349 325 A 5 GLU HA A 6 LYS HBx 1.0 0.0 4.70 350 325 A 6 LYS HBy A 5 GLU HA 1.0 0.0 4.70 351 326 A 7 TRP HA A 6 LYS HBx 1.0 0.0 5.13 352 326 A 7 TRP HA A 6 LYS HBy 1.0 0.0 5.13 353 327 A 32 VAL HA A 6 LYS HDx 1.0 0.0 4.26 354 327 A 32 VAL HA A 6 LYS HDy 1.0 0.0 4.26 355 328 A 4 GLN H A 4 GLN HBx 1.0 0.0 3.79 356 329 A 4 GLN H A 4 GLN HGy 1.0 0.0 4.10 357 330 A 31 CYS HA A 24 LEU HBy 1.0 0.0 4.23 358 331 A 7 TRP HE1 A 32 VAL HB 1.0 0.0 5.50 359 332 A 7 TRP HE1 A 7 TRP H 1.0 0.0 5.50 360 333 A 31 CYS H A 7 TRP H 1.0 0.0 5.50 361 334 A 8 GLU H A 7 TRP H 1.0 0.0 3.90 362 335 A 7 TRP HE3 A 7 TRP H 1.0 0.0 5.02 363 336 A 7 TRP HD1 A 7 TRP H 1.0 0.0 4.95 364 337 A 32 VAL HA A 7 TRP H 1.0 0.0 4.96 365 338 A 6 LYS HA A 7 TRP H 1.0 0.0 3.54 366 339 A 31 CYS HBx A 7 TRP H 1.0 0.0 4.95 367 340 A 8 GLU HGx A 7 TRP H 1.0 0.0 5.32 368 341 A 30 VAL HB A 7 TRP H 1.0 0.0 5.48 369 342 A 7 TRP H A 6 LYS HBx 1.0 0.0 3.90 370 342 A 6 LYS HBy A 7 TRP H 1.0 0.0 3.90 371 343 A 7 TRP H A 6 LYS HDx 1.0 0.0 4.70 372 343 A 6 LYS HDy A 7 TRP H 1.0 0.0 4.70 373 344 A 30 VAL HGy% A 7 TRP H 1.0 0.0 5.46 374 345 A 6 LYS HGx A 7 TRP H 1.0 0.0 4.03 375 346 A 6 LYS HGy A 7 TRP H 1.0 0.0 4.00 376 347 A 32 VAL H A 31 CYS HBx 1.0 0.0 4.22 377 348 A 24 LEU HDy% A 7 TRP H 1.0 0.0 5.47 378 349 A 24 LEU HDx% A 7 TRP H 1.0 0.0 4.65 379 350 A 30 VAL HB A 7 TRP HE3 1.0 0.0 4.21 380 351 A 32 VAL HGy% A 7 TRP HZ3 1.0 0.0 3.92 381 352 A 30 VAL HGx% A 7 TRP HZ3 1.0 0.0 5.50 382 353 A 32 VAL HGy% A 7 TRP HZ2 1.0 0.0 3.32 383 354 A 32 VAL HGy% A 7 TRP HH2 1.0 0.0 3.57 384 355 A 32 VAL HB A 7 TRP HZ3 1.0 0.0 5.50 385 356 A 32 VAL HB A 7 TRP HH2 1.0 0.0 5.09 386 357 A 7 TRP HA A 7 TRP HZ3 1.0 0.0 5.05 387 358 A 32 VAL HA A 7 TRP HZ3 1.0 0.0 5.50 388 359 A 7 TRP HA A 7 TRP HE3 1.0 0.0 3.02 389 360 A 32 VAL HA A 7 TRP HZ2 1.0 0.0 5.02 390 361 A 30 VAL HGx% A 8 GLU H 1.0 0.0 4.47 391 362 A 8 GLU H A 30 VAL HB 1.0 0.0 4.26 392 363 A 14 ILE HG2% A 14 ILE HA 1.0 0.0 3.48 393 364 A 21 CYS H A 4 GLN HA 1.0 0.0 5.50 394 365 A 12 VAL H A 12 VAL HGy% 1.0 0.0 4.65 395 366 A 12 VAL H A 12 VAL HGx% 1.0 0.0 4.65 396 367 A 21 CYS H A 4 GLN HGx 1.0 0.0 5.42 397 368 A 21 CYS H A 4 GLN HGy 1.0 0.0 5.25 398 369 A 32 VAL H A 6 LYS HBx 1.0 0.0 4.61 399 369 A 32 VAL H A 6 LYS HBy 1.0 0.0 4.61 400 370 A 22 PRO HDx A 24 LEU HDx% 1.0 0.0 4.77 401 371 A 26 CYS H A 26 CYS HBy 1.0 0.0 3.71 402 372 A 27 GLY H A 32 VAL HGx% 1.0 0.0 3.76 403 373 A 21 CYS H A 6 LYS H 1.0 0.0 5.46 404 374 A 21 CYS H A 4 GLN HE2x 1.0 0.0 5.35 405 375 A 21 CYS H A 22 PRO HDx 1.0 0.0 4.80 406 376 A 21 CYS HBx A 4 GLN H 1.0 0.0 4.82 407 377 A 21 CYS HBy A 4 GLN H 1.0 0.0 5.50 408 378 A 4 GLN H A 5 GLU HA 1.0 0.0 5.50 409 379 A 26 CYS H A 27 GLY HAy 1.0 0.0 5.50 410 380 A 31 CYS H A 8 GLU HBx 1.0 0.0 5.35 411 380 A 31 CYS H A 8 GLU HBy 1.0 0.0 5.35 412 381 A 10 CYS H A 8 GLU HBx 1.0 0.0 3.92 413 381 A 8 GLU HBy A 10 CYS H 1.0 0.0 3.92 414 382 A 30 VAL HGx% A 9 TYR H 1.0 0.0 4.74 415 383 A 6 LYS H A 7 TRP HBx 1.0 0.0 4.98 416 384 A 30 VAL HA A 29 PHE HA 1.0 0.0 5.50 417 385 A 4 GLN HBx A 3 CYS HA 1.0 0.0 5.50 418 386 A 26 CYS HA A 28 PRO HDx 1.0 0.0 4.63 419 386 A 28 PRO HDy A 26 CYS HA 1.0 0.0 4.63 420 387 A 31 CYS HBy A 6 LYS HA 1.0 0.0 4.09 421 388 A 21 CYS HBx A 20 CYS HA 1.0 0.0 4.94 422 389 A 5 GLU HBx A 4 GLN HA 1.0 0.0 4.48 423 390 A 1 ARG HA A 2 ASP HBy 1.0 0.0 4.77 424 390 A 1 ARG HA A 2 ASP HBx 1.0 0.0 4.77 425 391 A 2 ASP H A 2 ASP HBy 1.0 0.0 3.18 426 391 A 2 ASP H A 2 ASP HBx 1.0 0.0 3.18 427 392 A 3 CYS H A 2 ASP HBy 1.0 0.0 4.06 428 392 A 3 CYS H A 2 ASP HBx 1.0 0.0 4.06 429 393 A 3 CYS H A 3 CYS HBx 1.0 0.0 3.61 430 393 A 3 CYS H A 3 CYS HBy 1.0 0.0 3.61 431 394 A 4 GLN H A 3 CYS HBx 1.0 0.0 3.28 432 394 A 4 GLN H A 3 CYS HBy 1.0 0.0 3.28 433 395 A 21 CYS H A 3 CYS HBx 1.0 0.0 3.98 434 395 A 21 CYS H A 3 CYS HBy 1.0 0.0 3.98 435 396 A 21 CYS HA A 3 CYS HBx 1.0 0.0 3.20 436 396 A 21 CYS HA A 3 CYS HBy 1.0 0.0 3.20 437 397 A 22 PRO HDx A 3 CYS HBx 1.0 0.0 4.73 438 397 A 22 PRO HDx A 3 CYS HBy 1.0 0.0 4.73 439 398 A 22 PRO HDy A 3 CYS HBx 1.0 0.0 4.06 440 398 A 22 PRO HDy A 3 CYS HBy 1.0 0.0 4.06 441 399 A 4 GLN HGy A 20 CYS HBx 1.0 0.0 3.71 442 399 A 4 GLN HGy A 20 CYS HBy 1.0 0.0 3.71 443 400 A 6 LYS HBy A 6 LYS HEx 1.0 0.0 4.34 444 400 A 6 LYS HBx A 6 LYS HEx 1.0 0.0 4.34 445 400 A 6 LYS HEy A 6 LYS HBx 1.0 0.0 4.34 446 400 A 6 LYS HBy A 6 LYS HEy 1.0 0.0 4.34 447 401 A 7 TRP HD1 A 6 LYS HEx 1.0 0.0 4.38 448 401 A 7 TRP HD1 A 6 LYS HEy 1.0 0.0 4.38 449 402 A 7 TRP HE1 A 6 LYS HEx 1.0 0.0 3.83 450 402 A 7 TRP HE1 A 6 LYS HEy 1.0 0.0 3.83 451 403 A 7 TRP HZ2 A 6 LYS HEx 1.0 0.0 3.52 452 403 A 7 TRP HZ2 A 6 LYS HEy 1.0 0.0 3.52 453 404 A 7 TRP HH2 A 6 LYS HEx 1.0 0.0 4.74 454 404 A 7 TRP HH2 A 6 LYS HEy 1.0 0.0 4.74 455 405 A 24 LEU HDy% A 6 LYS HEx 1.0 0.0 3.75 456 405 A 24 LEU HDy% A 6 LYS HEy 1.0 0.0 3.75 457 406 A 32 VAL HA A 6 LYS HEx 1.0 0.0 4.41 458 406 A 32 VAL HA A 6 LYS HEy 1.0 0.0 4.41 459 407 A 10 CYS H A 9 TYR HBy 1.0 0.0 3.80 460 407 A 10 CYS H A 9 TYR HBx 1.0 0.0 3.80 461 408 A 30 VAL HGx% A 9 TYR HBy 1.0 0.0 5.34 462 408 A 30 VAL HGx% A 9 TYR HBx 1.0 0.0 5.34 463 409 A 11 ILE H A 11 ILE HG1y 1.0 0.0 3.75 464 409 A 11 ILE H A 11 ILE HG1x 1.0 0.0 3.75 465 410 A 11 ILE HG2% A 11 ILE HG1y 1.0 0.0 3.26 466 410 A 11 ILE HG2% A 11 ILE HG1x 1.0 0.0 3.26 467 411 A 12 VAL H A 12 VAL HGy% 1.0 0.0 3.83 468 411 A 12 VAL H A 12 VAL HGx% 1.0 0.0 3.83 469 412 A 14 ILE HA A 14 ILE HG1x 1.0 0.0 3.63 470 412 A 14 ILE HA A 14 ILE HG1y 1.0 0.0 3.63 471 413 A 18 VAL H A 18 VAL HGy% 1.0 0.0 4.05 472 413 A 18 VAL H A 18 VAL HGx% 1.0 0.0 4.05 473 414 A 19 TYR H A 18 VAL HGy% 1.0 0.0 4.67 474 414 A 18 VAL HGx% A 19 TYR H 1.0 0.0 4.67 475 415 A 26 CYS H A 25 ILE HG1y 1.0 0.0 4.45 476 415 A 26 CYS H A 25 ILE HG1x 1.0 0.0 4.45 477 416 A 32 VAL H A 25 ILE HG1y 1.0 0.0 5.05 478 416 A 32 VAL H A 25 ILE HG1x 1.0 0.0 5.05 479 417 A 29 PHE H A 28 PRO HBx 1.0 0.0 3.84 480 417 A 29 PHE H A 28 PRO HBy 1.0 0.0 3.84 481 418 A 30 VAL H A 28 PRO HBx 1.0 0.0 5.01 482 418 A 30 VAL H A 28 PRO HBy 1.0 0.0 5.01 483 419 A 30 VAL H A 29 PHE HBy 1.0 0.0 3.97 484 419 A 30 VAL H A 29 PHE HBx 1.0 0.0 3.97 485 420 A 30 VAL HA A 29 PHE HBy 1.0 0.0 5.34 486 420 A 30 VAL HA A 29 PHE HBx 1.0 0.0 5.34 487 421 A 30 VAL HGx% A 29 PHE HBy 1.0 0.0 4.08 488 421 A 30 VAL HGx% A 29 PHE HBx 1.0 0.0 4.08 489 422 A 30 VAL HGy% A 29 PHE HBy 1.0 0.0 3.80 490 422 A 30 VAL HGy% A 29 PHE HBx 1.0 0.0 3.80 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 1 ARG C A 2 ASP N A 2 ASP CA A 2 ASP C 1.0 -116.0 -56.0 PHI 2 2 A 2 ASP N A 2 ASP CA A 2 ASP C A 3 CYS N 1.0 55.0 227.0 PSI 3 3 A 2 ASP C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -190.0 -66.0 PHI 4 4 A 3 CYS N A 3 CYS CA A 3 CYS C A 4 GLN N 1.0 143.0 179.0 PSI 5 5 A 3 CYS C A 4 GLN N A 4 GLN CA A 4 GLN C 1.0 -166.0 -82.0 PHI 6 6 A 4 GLN N A 4 GLN CA A 4 GLN C A 5 GLU N 1.0 136.0 172.0 PSI 7 7 A 4 GLN C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -149.0 -45.0 PHI 8 8 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 LYS N 1.0 98.0 226.0 PSI 9 9 A 5 GLU C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -77.0 -45.0 PHI 10 10 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 TRP N 1.0 -48.0 -8.0 PSI 11 11 A 6 LYS C A 7 TRP N A 7 TRP CA A 7 TRP C 1.0 -83.0 -55.0 PHI 12 12 A 7 TRP C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -83.0 -47.0 PHI 13 13 A 8 GLU C A 9 TYR N A 9 TYR CA A 9 TYR C 1.0 -108.0 -52.0 PHI 14 14 A 9 TYR N A 9 TYR CA A 9 TYR C A 10 CYS N 1.0 -59.0 5.0 PSI 15 15 A 10 CYS C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -165.0 -97.0 PHI 16 16 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 VAL N 1.0 133.0 185.0 PSI 17 17 A 11 ILE C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -157.0 -61.0 PHI 18 18 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 PRO N 1.0 62.0 170.0 PSI 19 19 A 13 PRO C A 14 ILE N A 14 ILE CA A 14 ILE C 1.0 -158.0 -94.0 PHI 20 20 A 14 ILE N A 14 ILE CA A 14 ILE C A 15 LEU N 1.0 120.0 184.0 PSI 21 21 A 14 ILE C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -217.0 -41.0 PHI 22 22 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 GLY N 1.0 121.0 181.0 PSI 23 23 A 15 LEU C A 16 GLY N A 16 GLY CA A 16 GLY C 1.0 58.0 122.0 PHI 24 24 A 16 GLY N A 16 GLY CA A 16 GLY C A 17 PHE N 1.0 -5.0 35.0 PSI 25 25 A 16 GLY C A 17 PHE N A 17 PHE CA A 17 PHE C 1.0 -126.0 -54.0 PHI 26 26 A 17 PHE N A 17 PHE CA A 17 PHE C A 18 VAL N 1.0 111.0 175.0 PSI 27 27 A 17 PHE C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -161.0 -105.0 PHI 28 28 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 TYR N 1.0 130.0 186.0 PSI 29 29 A 18 VAL C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -136.0 -40.0 PHI 30 30 A 19 TYR N A 19 TYR CA A 19 TYR C A 20 CYS N 1.0 107.0 163.0 PSI 31 31 A 19 TYR C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -162.0 -22.0 PHI 32 32 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 CYS N 1.0 94.0 198.0 PSI 33 33 A 20 CYS C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -146.0 -26.0 PHI 34 34 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 PRO N 1.0 67.0 183.0 PSI 35 35 A 22 PRO C A 23 GLY N A 23 GLY CA A 23 GLY C 1.0 68.0 112.0 PHI 36 36 A 23 GLY N A 23 GLY CA A 23 GLY C A 24 LEU N 1.0 -30.0 14.0 PSI 37 37 A 23 GLY C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -170.0 -66.0 PHI 38 38 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 ILE N 1.0 143.0 171.0 PSI 39 39 A 24 LEU C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -171.0 -107.0 PHI 40 40 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 CYS N 1.0 118.0 182.0 PSI 41 41 A 25 ILE C A 26 CYS N A 26 CYS CA A 26 CYS C 1.0 -164.0 -36.0 PHI 42 42 A 26 CYS N A 26 CYS CA A 26 CYS C A 27 GLY N 1.0 88.0 156.0 PSI 43 43 A 26 CYS C A 27 GLY N A 27 GLY CA A 27 GLY C 1.0 -137.0 -29.0 PHI 44 44 A 29 PHE C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -154.0 -98.0 PHI 45 45 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 CYS N 1.0 94.0 210.0 PSI 46 46 A 30 VAL C A 31 CYS N A 31 CYS CA A 31 CYS C 1.0 -187.0 -51.0 PHI 47 47 A 31 CYS N A 31 CYS CA A 31 CYS C A 32 VAL N 1.0 108.0 200.0 PSI stop_ save_