data_nef_c30750_6wqr 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6WQR 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 2 CYS SG 1 14 CYS SG 1 8 CYS SG 1 19 CYS SG 1 23 ILE C 1 24 NH2 N 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 ALA start . . 2 A 2 CYS middle -HG . 3 A 3 LYS middle . . 4 A 4 GLU middle . . 5 A 5 TYR middle . . 6 A 6 TRP middle . . 7 A 7 GLU middle . . 8 A 8 CYS middle -HG . 9 A 9 GLY middle . false 10 A 10 ALA middle . . 11 A 11 PHE middle . . 12 A 12 LEU middle . . 13 A 13 PHE middle . . 14 A 14 CYS middle -HG . 15 A 15 ILE middle . . 16 A 16 GLU middle . . 17 A 17 GLY middle . false 18 A 18 ILE middle . . 19 A 19 CYS middle -HG . 20 A 20 VAL middle . . 21 A 21 PRO middle . false 22 A 22 MET middle . . 23 A 23 ILE middle -OXT . 24 A 24 NH2 end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 ALA HA H 1 3.990 0.003 A 1 ALA HB% H 1 1.418 0.002 A 1 ALA CA C 13 52.248 0.000 A 1 ALA CB C 13 19.862 0.000 A 2 CYS HA H 1 4.508 0.003 A 2 CYS HBy H 1 3.176 0.002 A 2 CYS HBx H 1 2.916 0.003 A 2 CYS CA C 13 56.333 0.000 A 2 CYS CB C 13 43.447 0.025 A 3 LYS H H 1 8.442 0.003 A 3 LYS HA H 1 4.140 0.004 A 3 LYS HBx H 1 1.713 0.003 A 3 LYS HBy H 1 1.713 0.003 A 3 LYS HDx H 1 1.590 0.001 A 3 LYS HDy H 1 1.590 0.001 A 3 LYS HEx H 1 2.903 0.002 A 3 LYS HEy H 1 2.903 0.002 A 3 LYS HGx H 1 1.326 0.001 A 3 LYS HGy H 1 1.326 0.001 A 3 LYS CA C 13 57.290 0.000 A 3 LYS CB C 13 33.929 0.000 A 3 LYS CD C 13 29.492 0.000 A 3 LYS CE C 13 42.405 0.000 A 3 LYS CG C 13 25.420 0.000 A 3 LYS N N 15 122.837 0.000 A 4 GLU H H 1 7.579 0.001 A 4 GLU HA H 1 4.250 0.004 A 4 GLU HBy H 1 1.351 0.008 A 4 GLU HBx H 1 1.247 0.008 A 4 GLU HGx H 1 2.077 0.004 A 4 GLU HGy H 1 2.077 0.004 A 4 GLU CA C 13 55.339 0.000 A 4 GLU CB C 13 30.511 0.013 A 4 GLU CG C 13 35.276 0.000 A 4 GLU N N 15 116.571 0.000 A 5 TYR H H 1 8.160 0.003 A 5 TYR HA H 1 4.064 0.001 A 5 TYR HBy H 1 2.940 0.003 A 5 TYR HBx H 1 2.841 0.003 A 5 TYR HDx H 1 6.885 0.002 A 5 TYR HDy H 1 6.885 0.002 A 5 TYR HEx H 1 6.693 0.000 A 5 TYR HEy H 1 6.693 0.000 A 5 TYR CA C 13 61.380 0.000 A 5 TYR CB C 13 38.654 0.002 A 5 TYR N N 15 120.863 0.000 A 6 TRP H H 1 7.236 0.001 A 6 TRP HA H 1 4.373 0.004 A 6 TRP HBy H 1 3.296 0.005 A 6 TRP HBx H 1 3.075 0.005 A 6 TRP HD1 H 1 7.129 0.002 A 6 TRP HE1 H 1 10.157 0.007 A 6 TRP HE3 H 1 7.197 0.003 A 6 TRP HH2 H 1 7.131 0.004 A 6 TRP HZ2 H 1 7.386 0.004 A 6 TRP HZ3 H 1 7.018 0.001 A 6 TRP CA C 13 58.769 0.000 A 6 TRP CB C 13 28.910 0.008 A 6 TRP N N 15 116.495 0.000 A 6 TRP NE1 N 15 130.088 0.000 A 7 GLU H H 1 7.371 0.003 A 7 GLU HA H 1 4.130 0.002 A 7 GLU HBy H 1 1.928 0.007 A 7 GLU HBx H 1 1.785 0.019 A 7 GLU HGx H 1 1.931 0.011 A 7 GLU CA C 13 58.201 0.000 A 7 GLU CB C 13 30.285 0.004 A 7 GLU CG C 13 35.299 0.037 A 7 GLU N N 15 118.096 0.000 A 8 CYS H H 1 7.664 0.001 A 8 CYS HA H 1 4.624 0.003 A 8 CYS HBy H 1 3.172 0.004 A 8 CYS HBx H 1 3.057 0.002 A 8 CYS CA C 13 56.478 0.000 A 8 CYS CB C 13 42.793 0.008 A 8 CYS N N 15 115.528 0.000 A 9 GLY H H 1 7.914 0.002 A 9 GLY HAx H 1 3.737 0.003 A 9 GLY HAy H 1 3.855 0.002 A 9 GLY CA C 13 45.964 0.002 A 9 GLY N N 15 108.149 0.000 A 10 ALA H H 1 7.730 0.003 A 10 ALA HA H 1 4.506 0.010 A 10 ALA HB% H 1 1.167 0.002 A 10 ALA CA C 13 52.404 0.000 A 10 ALA CB C 13 21.060 0.000 A 11 PHE H H 1 8.234 0.002 A 11 PHE HA H 1 4.852 0.001 A 11 PHE HBy H 1 3.104 0.002 A 11 PHE HBx H 1 2.974 0.001 A 11 PHE CB C 13 41.248 0.010 A 12 LEU HA H 1 4.699 0.010 A 12 LEU HBy H 1 1.515 0.006 A 12 LEU HBx H 1 1.319 0.004 A 12 LEU HDx% H 1 0.653 0.000 A 12 LEU HDy% H 1 0.652 0.000 A 12 LEU HG H 1 0.738 0.002 A 12 LEU CB C 13 45.388 0.058 A 12 LEU CDx C 13 24.415 0.000 A 12 LEU CDy C 13 24.415 0.000 A 12 LEU CG C 13 25.829 0.000 A 13 PHE H H 1 8.754 0.001 A 13 PHE HA H 1 4.890 0.015 A 13 PHE HBx H 1 2.974 0.004 A 13 PHE HBy H 1 2.974 0.004 A 13 PHE HDx H 1 7.230 0.002 A 13 PHE HDy H 1 7.230 0.002 A 13 PHE HEx H 1 7.155 0.000 A 13 PHE HEy H 1 7.155 0.000 A 13 PHE CA C 13 57.086 0.000 A 13 PHE CB C 13 41.822 0.000 A 14 CYS H H 1 8.150 0.003 A 14 CYS HA H 1 5.528 0.002 A 14 CYS HBy H 1 2.835 0.001 A 14 CYS HBx H 1 2.528 0.001 A 14 CYS CB C 13 49.188 0.019 A 15 ILE H H 1 8.510 0.005 A 15 ILE HA H 1 4.054 0.003 A 15 ILE HB H 1 1.583 0.002 A 15 ILE HD1% H 1 0.868 0.002 A 15 ILE HG1x H 1 1.307 0.002 A 15 ILE HG1y H 1 1.307 0.002 A 15 ILE HG2% H 1 0.820 0.003 A 15 ILE CA C 13 61.003 0.000 A 15 ILE CB C 13 41.463 0.000 A 15 ILE CD1 C 13 14.240 0.000 A 15 ILE CG1 C 13 28.522 0.000 A 15 ILE N N 15 121.356 0.000 A 16 GLU H H 1 8.861 0.003 A 16 GLU HA H 1 3.678 0.007 A 16 GLU HBy H 1 2.244 0.005 A 16 GLU HBx H 1 1.923 0.006 A 16 GLU HGy H 1 2.328 0.013 A 16 GLU HGx H 1 2.311 0.011 A 16 GLU CA C 13 57.331 0.000 A 16 GLU CB C 13 27.632 0.003 A 16 GLU CG C 13 34.799 0.001 A 16 GLU N N 15 123.065 0.000 A 17 GLY H H 1 8.008 0.003 A 17 GLY HAx H 1 3.438 0.017 A 17 GLY HAy H 1 4.001 0.016 A 17 GLY CA C 13 45.850 0.008 A 17 GLY N N 15 103.084 0.000 A 18 ILE H H 1 7.839 0.004 A 18 ILE HA H 1 4.260 0.002 A 18 ILE HB H 1 1.979 0.003 A 18 ILE HD1% H 1 0.809 0.002 A 18 ILE HG1y H 1 1.451 0.001 A 18 ILE HG1x H 1 1.122 0.001 A 18 ILE HG2% H 1 0.809 0.000 A 18 ILE CA C 13 60.508 0.000 A 18 ILE CB C 13 39.284 0.000 A 18 ILE CD1 C 13 13.758 0.000 A 18 ILE CG1 C 13 27.595 0.009 A 18 ILE N N 15 121.431 0.000 A 19 CYS H H 1 8.267 0.004 A 19 CYS HA H 1 5.556 0.005 A 19 CYS HBy H 1 2.849 0.002 A 19 CYS HBx H 1 2.558 0.007 A 19 CYS CA C 13 55.403 0.000 A 19 CYS CB C 13 48.241 0.004 A 19 CYS N N 15 123.468 0.000 A 20 VAL H H 1 8.884 0.005 A 20 VAL HA H 1 4.743 0.003 A 20 VAL HB H 1 2.165 0.003 A 20 VAL HGx% H 1 0.973 0.004 A 20 VAL HGy% H 1 0.975 0.005 A 20 VAL CA C 13 58.585 0.000 A 20 VAL CB C 13 35.091 0.000 A 20 VAL CGy C 13 22.098 0.000 A 20 VAL CGx C 13 20.282 0.000 A 21 PRO HA H 1 4.720 0.009 A 21 PRO HBy H 1 2.083 0.004 A 21 PRO HBx H 1 1.846 0.002 A 21 PRO HDx H 1 3.692 0.001 A 21 PRO HDy H 1 3.692 0.001 A 21 PRO HGy H 1 2.081 0.003 A 21 PRO HGx H 1 1.845 0.002 A 21 PRO CA C 13 63.215 0.000 A 21 PRO CB C 13 32.686 0.016 A 21 PRO CD C 13 51.417 0.000 A 21 PRO CG C 13 28.131 0.004 A 22 MET H H 1 8.425 0.005 A 22 MET HA H 1 4.482 0.011 A 22 MET HBy H 1 1.824 0.002 A 22 MET HBx H 1 1.631 0.007 A 22 MET HE% H 1 1.890 0.000 A 22 MET HGx H 1 2.368 0.012 A 22 MET HGy H 1 2.368 0.012 A 22 MET CA C 13 55.472 0.000 A 22 MET CB C 13 35.015 0.000 A 22 MET CE C 13 17.820 0.000 A 22 MET CG C 13 33.088 0.000 A 22 MET N N 15 120.764 0.000 A 23 ILE H H 1 7.673 0.002 A 23 ILE HA H 1 4.210 0.005 A 23 ILE HB H 1 1.762 0.002 A 23 ILE HD1% H 1 0.812 0.002 A 23 ILE HG1y H 1 1.414 0.001 A 23 ILE HG1x H 1 1.099 0.009 A 23 ILE HG2% H 1 0.863 0.003 A 23 ILE CA C 13 60.865 0.000 A 23 ILE CB C 13 39.724 0.000 A 23 ILE CG1 C 13 27.866 0.000 A 23 ILE CG2 C 13 18.266 0.000 A 23 ILE N N 15 119.812 0.000 A 24 NH2 HNy H 1 7.465 0.000 A 24 NH2 HNx H 1 6.815 0.000 A 24 NH2 N N 15 109.688 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 18 ILE H A 17 GLY HAx 1.0 0.0 3.55 2 2 A 18 ILE H A 17 GLY HAy 1.0 0.0 3.55 3 3 A 18 ILE H A 17 GLY H 1.0 0.0 3.17 4 4 A 18 ILE HA A 19 CYS H 1.0 0.0 2.46 5 5 A 19 CYS H A 19 CYS HBx 1.0 0.0 3.58 6 6 A 19 CYS H A 19 CYS HBy 1.0 0.0 3.58 7 7 A 19 CYS HA A 20 VAL H 1.0 0.0 2.71 8 8 A 17 GLY H A 16 GLU HA 1.0 0.0 3.17 9 9 A 16 GLU HA A 16 GLU H 1.0 0.0 2.59 10 10 A 16 GLU H A 15 ILE HA 1.0 0.0 2.43 11 11 A 14 CYS HA A 15 ILE H 1.0 0.0 2.40 12 12 A 8 CYS HA A 9 GLY H 1.0 0.0 3.45 13 13 A 8 CYS H A 8 CYS HBx 1.0 0.0 3.48 14 14 A 8 CYS H A 8 CYS HBy 1.0 0.0 3.48 15 15 A 10 ALA HA A 11 PHE H 1.0 0.0 3.30 16 16 A 5 TYR HA A 6 TRP H 1.0 0.0 3.39 17 17 A 5 TYR H A 5 TYR HBy 1.0 0.0 3.02 18 18 A 5 TYR H A 5 TYR HBx 1.0 0.0 3.02 19 19 A 12 LEU HA A 13 PHE H 1.0 0.0 3.17 20 20 A 13 PHE HA A 14 CYS H 1.0 0.0 3.33 21 21 A 8 CYS H A 7 GLU HA 1.0 0.0 3.33 22 22 A 5 TYR H A 4 GLU HA 1.0 0.0 2.62 23 23 A 4 GLU H A 4 GLU HBx 1.0 0.0 3.61 24 24 A 4 GLU H A 4 GLU HBy 1.0 0.0 3.61 25 25 A 3 LYS H A 2 CYS HBx 1.0 0.0 3.98 26 26 A 3 LYS H A 2 CYS HBy 1.0 0.0 3.98 27 27 A 21 PRO HA A 22 MET H 1.0 0.0 2.43 28 28 A 22 MET H A 22 MET HA 1.0 0.0 2.68 29 29 A 22 MET H A 22 MET HBx 1.0 0.0 3.21 30 30 A 22 MET HA A 23 ILE H 1.0 0.0 2.77 31 31 A 23 ILE H A 23 ILE HB 1.0 0.0 3.08 32 32 A 22 MET H A 22 MET HBy 1.0 0.0 3.21 33 33 A 20 VAL H A 20 VAL HB 1.0 0.0 4.11 34 34 A 16 GLU H A 16 GLU HBy 1.0 0.0 3.95 35 35 A 16 GLU H A 16 GLU HBx 1.0 0.0 3.95 36 36 A 9 GLY H A 8 CYS H 1.0 0.0 3.11 37 37 A 18 ILE H A 18 ILE HB 1.0 0.0 2.96 38 38 A 15 ILE H A 14 CYS HBx 1.0 0.0 3.92 39 39 A 15 ILE H A 14 CYS HBy 1.0 0.0 3.92 40 40 A 15 ILE H A 15 ILE HB 1.0 0.0 3.39 41 41 A 16 GLU H A 15 ILE HB 1.0 0.0 4.17 42 42 A 7 GLU H A 7 GLU HBx 1.0 0.0 3.39 43 43 A 7 GLU H A 7 GLU HBy 1.0 0.0 3.39 44 44 A 6 TRP H A 5 TYR HBx 1.0 0.0 3.55 45 45 A 6 TRP H A 5 TYR HBy 1.0 0.0 3.55 46 46 A 7 GLU H A 6 TRP HBx 1.0 0.0 4.20 47 47 A 7 GLU H A 6 TRP HBy 1.0 0.0 4.20 48 48 A 3 LYS H A 2 CYS HA 1.0 0.0 2.74 49 49 A 4 GLU H A 3 LYS HBx 1.0 0.0 4.64 50 49 A 4 GLU H A 3 LYS HBy 1.0 0.0 4.64 51 50 A 5 TYR H A 4 GLU HBx 1.0 0.0 4.14 52 51 A 5 TYR H A 4 GLU HBy 1.0 0.0 4.14 53 52 A 17 GLY H A 16 GLU H 1.0 0.0 3.24 54 53 A 16 GLU H A 15 ILE H 1.0 0.0 3.79 55 54 A 18 ILE H A 15 ILE H 1.0 0.0 3.21 56 55 A 4 GLU H A 3 LYS H 1.0 0.0 2.96 57 56 A 8 CYS H A 7 GLU H 1.0 0.0 2.87 58 57 A 5 TYR HA A 5 TYR HD% 1.0 0.0 6.67 59 58 A 22 MET H A 22 MET HGx 1.0 0.0 5.89 60 58 A 22 MET H A 22 MET HGy 1.0 0.0 5.89 61 59 A 23 ILE H A 23 ILE HG1x 1.0 0.0 5.50 62 60 A 23 ILE H A 23 ILE HG1y 1.0 0.0 5.50 63 61 A 23 ILE H A 22 MET HGx 1.0 0.0 6.38 64 61 A 23 ILE H A 22 MET HGy 1.0 0.0 6.38 65 62 A 20 VAL HA A 21 PRO HDx 1.0 0.0 3.75 66 62 A 20 VAL HA A 21 PRO HDy 1.0 0.0 3.75 67 63 A 16 GLU H A 16 GLU HGx 1.0 0.0 4.60 68 64 A 16 GLU H A 16 GLU HGy 1.0 0.0 4.60 69 65 A 18 ILE H A 18 ILE HG1x 1.0 0.0 4.01 70 66 A 18 ILE H A 18 ILE HG1y 1.0 0.0 4.01 71 67 A 15 ILE H A 15 ILE HG1x 1.0 0.0 6.38 72 67 A 15 ILE H A 15 ILE HG1y 1.0 0.0 6.38 73 68 A 16 GLU H A 15 ILE HG1x 1.0 0.0 6.38 74 68 A 16 GLU H A 15 ILE HG1y 1.0 0.0 6.38 75 69 A 4 GLU H A 4 GLU HGx 1.0 0.0 6.07 76 69 A 4 GLU H A 4 GLU HGy 1.0 0.0 6.07 77 70 A 3 LYS H A 3 LYS HGx 1.0 0.0 6.38 78 70 A 3 LYS H A 3 LYS HGy 1.0 0.0 6.38 79 71 A 3 LYS HA A 3 LYS HDx 1.0 0.0 6.38 80 71 A 3 LYS HA A 3 LYS HDy 1.0 0.0 6.38 81 72 A 3 LYS HBy A 3 LYS HEx 1.0 0.0 7.26 82 72 A 3 LYS HBx A 3 LYS HEx 1.0 0.0 7.26 83 72 A 3 LYS HEy A 3 LYS HBx 1.0 0.0 7.26 84 72 A 3 LYS HBy A 3 LYS HEy 1.0 0.0 7.26 85 73 A 3 LYS H A 3 LYS HDx 1.0 0.0 6.38 86 73 A 3 LYS H A 3 LYS HDy 1.0 0.0 6.38 87 74 A 5 TYR H A 5 TYR HD% 1.0 0.0 7.63 88 75 A 20 VAL HB A 21 PRO HDx 1.0 0.0 4.47 89 75 A 20 VAL HB A 21 PRO HDy 1.0 0.0 4.47 90 76 A 12 LEU HG A 19 CYS HBx 1.0 0.0 3.45 91 77 A 12 LEU HG A 19 CYS HBy 1.0 0.0 3.45 92 78 A 13 PHE HD% A 22 MET HGx 1.0 0.0 8.51 93 78 A 22 MET HGy A 13 PHE HD% 1.0 0.0 8.51 94 79 A 6 TRP HE1 A 4 GLU HBx 1.0 0.0 5.50 95 80 A 6 TRP HE1 A 4 GLU HBy 1.0 0.0 5.50 96 81 A 6 TRP HE1 A 4 GLU HGx 1.0 0.0 6.38 97 81 A 4 GLU HGy A 6 TRP HE1 1.0 0.0 6.38 98 82 A 23 ILE H A 23 ILE HG2% 1.0 0.0 6.52 99 83 A 23 ILE HB A 23 ILE HD1% 1.0 0.0 3.98 100 84 A 23 ILE HG2% A 23 ILE HD1% 1.0 0.0 4.44 101 85 A 23 ILE H A 22 MET HE% 1.0 0.0 4.69 102 86 A 18 ILE H A 18 ILE HD1% 1.0 0.0 5.77 103 87 A 18 ILE HB A 18 ILE HD1% 1.0 0.0 3.42 104 88 A 18 ILE HA A 18 ILE HD1% 1.0 0.0 4.04 105 89 A 15 ILE H A 15 ILE HG2% 1.0 0.0 5.25 106 90 A 15 ILE HA A 15 ILE HD1% 1.0 0.0 5.40 107 91 A 15 ILE HB A 15 ILE HD1% 1.0 0.0 4.04 108 92 A 15 ILE HG2% A 15 ILE HD1% 1.0 0.0 4.44 109 93 A 16 GLU H A 15 ILE HG2% 1.0 0.0 6.52 110 94 A 3 LYS H A 2 CYS HBy 1.0 0.0 3.47 111 94 A 3 LYS H A 2 CYS HBx 1.0 0.0 3.47 112 95 A 4 GLU H A 4 GLU HBx 1.0 0.0 3.06 113 95 A 4 GLU H A 4 GLU HBy 1.0 0.0 3.06 114 96 A 5 TYR H A 4 GLU HBx 1.0 0.0 3.35 115 96 A 5 TYR H A 4 GLU HBy 1.0 0.0 3.35 116 97 A 6 TRP H A 4 GLU HBx 1.0 0.0 3.94 117 97 A 6 TRP H A 4 GLU HBy 1.0 0.0 3.94 118 98 A 6 TRP HE1 A 4 GLU HBx 1.0 0.0 4.83 119 98 A 6 TRP HE1 A 4 GLU HBy 1.0 0.0 4.83 120 99 A 6 TRP H A 5 TYR HBy 1.0 0.0 2.96 121 99 A 6 TRP H A 5 TYR HBx 1.0 0.0 2.96 122 100 A 6 TRP H A 6 TRP HBy 1.0 0.0 2.96 123 100 A 6 TRP H A 6 TRP HBx 1.0 0.0 2.96 124 101 A 6 TRP HE3 A 6 TRP HBy 1.0 0.0 3.39 125 101 A 6 TRP HBx A 6 TRP HE3 1.0 0.0 3.39 126 102 A 7 GLU H A 7 GLU HBx 1.0 0.0 2.84 127 102 A 7 GLU H A 7 GLU HBy 1.0 0.0 2.84 128 103 A 7 GLU H A 7 GLU HGx 1.0 0.0 4.73 129 103 A 7 GLU H A 7 GLU HGy 1.0 0.0 4.73 130 104 A 7 GLU HA A 7 GLU HGx 1.0 0.0 3.36 131 104 A 7 GLU HA A 7 GLU HGy 1.0 0.0 3.36 132 105 A 7 GLU HBx A 7 GLU HGx 1.0 0.0 2.18 133 105 A 7 GLU HBy A 7 GLU HGx 1.0 0.0 2.18 134 105 A 7 GLU HGy A 7 GLU HBx 1.0 0.0 2.18 135 105 A 7 GLU HBy A 7 GLU HGy 1.0 0.0 2.18 136 106 A 8 CYS H A 8 CYS HBy 1.0 0.0 2.87 137 106 A 8 CYS H A 8 CYS HBx 1.0 0.0 2.87 138 107 A 12 LEU HG A 12 LEU HBy 1.0 0.0 2.60 139 108 A 13 PHE H A 12 LEU HBy 1.0 0.0 4.12 140 109 A 12 LEU HBy A 19 CYS HBy 1.0 0.0 3.10 141 109 A 12 LEU HBy A 19 CYS HBx 1.0 0.0 3.10 142 110 A 12 LEU HDx% A 19 CYS HBy 1.0 0.0 4.51 143 110 A 12 LEU HDy% A 19 CYS HBy 1.0 0.0 4.51 144 110 A 19 CYS HBx A 12 LEU HDx% 1.0 0.0 4.51 145 110 A 19 CYS HBx A 12 LEU HDy% 1.0 0.0 4.51 146 111 A 12 LEU HDy% A 22 MET HBx 1.0 0.0 4.34 147 111 A 12 LEU HDx% A 22 MET HBx 1.0 0.0 4.34 148 111 A 22 MET HBy A 12 LEU HDx% 1.0 0.0 4.34 149 111 A 12 LEU HDy% A 22 MET HBy 1.0 0.0 4.34 150 112 A 13 PHE HBy A 20 VAL HGx% 1.0 0.0 5.63 151 112 A 13 PHE HBx A 20 VAL HGx% 1.0 0.0 5.63 152 112 A 20 VAL HGy% A 13 PHE HBx 1.0 0.0 5.63 153 112 A 13 PHE HBy A 20 VAL HGy% 1.0 0.0 5.63 154 113 A 14 CYS H A 14 CYS HBy 1.0 0.0 2.93 155 113 A 14 CYS H A 14 CYS HBx 1.0 0.0 2.93 156 114 A 14 CYS HA A 14 CYS HBy 1.0 0.0 2.58 157 114 A 14 CYS HA A 14 CYS HBx 1.0 0.0 2.58 158 115 A 15 ILE H A 14 CYS HBy 1.0 0.0 3.11 159 115 A 15 ILE H A 14 CYS HBx 1.0 0.0 3.11 160 116 A 18 ILE H A 14 CYS HBy 1.0 0.0 4.15 161 116 A 18 ILE H A 14 CYS HBx 1.0 0.0 4.15 162 117 A 16 GLU H A 16 GLU HBx 1.0 0.0 3.12 163 117 A 16 GLU H A 16 GLU HBy 1.0 0.0 3.12 164 118 A 16 GLU H A 16 GLU HGx 1.0 0.0 3.78 165 118 A 16 GLU H A 16 GLU HGy 1.0 0.0 3.78 166 119 A 17 GLY H A 16 GLU HBx 1.0 0.0 3.60 167 119 A 17 GLY H A 16 GLU HBy 1.0 0.0 3.60 168 120 A 18 ILE H A 16 GLU HBx 1.0 0.0 3.49 169 120 A 18 ILE H A 16 GLU HBy 1.0 0.0 3.49 170 121 A 17 GLY H A 17 GLY HAx 1.0 0.0 2.56 171 121 A 17 GLY H A 17 GLY HAy 1.0 0.0 2.56 172 122 A 18 ILE H A 17 GLY HAx 1.0 0.0 3.10 173 122 A 18 ILE H A 17 GLY HAy 1.0 0.0 3.10 174 123 A 18 ILE HB A 18 ILE HG1x 1.0 0.0 2.63 175 123 A 18 ILE HB A 18 ILE HG1y 1.0 0.0 2.63 176 124 A 19 CYS H A 19 CYS HBy 1.0 0.0 2.80 177 124 A 19 CYS H A 19 CYS HBx 1.0 0.0 2.80 178 125 A 19 CYS HA A 19 CYS HBy 1.0 0.0 2.62 179 125 A 19 CYS HA A 19 CYS HBx 1.0 0.0 2.62 180 126 A 20 VAL H A 19 CYS HBy 1.0 0.0 3.53 181 126 A 20 VAL H A 19 CYS HBx 1.0 0.0 3.53 182 127 A 22 MET H A 21 PRO HBy 1.0 0.0 3.59 183 127 A 22 MET H A 21 PRO HBx 1.0 0.0 3.59 184 128 A 23 ILE H A 22 MET HBx 1.0 0.0 3.21 185 128 A 23 ILE H A 22 MET HBy 1.0 0.0 3.21 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 15 ILE H A 18 ILE O 1.0 0.0 2.3 2 2 A 18 ILE O A 15 ILE N 1.0 0.0 3.3 3 3 A 18 ILE H A 15 ILE O 1.0 0.0 2.3 4 4 A 15 ILE O A 18 ILE N 1.0 0.0 3.3 5 5 A 20 VAL H A 13 PHE O 1.0 0.0 2.3 6 6 A 13 PHE O A 20 VAL N 1.0 0.0 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type 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 ALA C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -99.8 -39.8 PHI 2 2 A 2 CYS N A 2 CYS CA A 2 CYS C A 3 LYS N 1.0 114.2 174.2 PSI 3 3 A 2 CYS N A 2 CYS CA A 2 CYS CB A 2 CYS SG 1.0 -90.0 -30.0 CHI1 4 4 A 2 CYS C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -107.1 -47.1 PHI 5 5 A 3 LYS N A 3 LYS CA A 3 LYS C A 4 GLU N 1.0 -54.9 5.1 PSI 6 6 A 4 GLU C A 5 TYR N A 5 TYR CA A 5 TYR C 1.0 -92.2 -32.2 PHI 7 7 A 5 TYR N A 5 TYR CA A 5 TYR C A 6 TRP N 1.0 -73.1 -13.1 PSI 8 8 A 5 TYR C A 6 TRP N A 6 TRP CA A 6 TRP C 1.0 -96.8 -36.8 PHI 9 9 A 6 TRP N A 6 TRP CA A 6 TRP C A 7 GLU N 1.0 -63.1 -3.1 PSI 10 10 A 6 TRP C A 7 GLU N A 7 GLU CA A 7 GLU C 1.0 -102.4 -42.4 PHI 11 11 A 7 GLU N A 7 GLU CA A 7 GLU C A 8 CYS N 1.0 -56.6 3.4 PSI 12 12 A 7 GLU C A 8 CYS N A 8 CYS CA A 8 CYS C 1.0 -129.0 -69.0 PHI 13 13 A 8 CYS N A 8 CYS CA A 8 CYS C A 9 GLY N 1.0 -42.2 17.8 PSI 14 14 A 8 CYS N A 8 CYS CA A 8 CYS CB A 8 CYS SG 1.0 -90.0 -30.0 CHI1 15 15 A 9 GLY C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -112.3 -52.3 PHI 16 16 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 PHE N 1.0 94.6 174.6 PSI 17 17 A 11 PHE C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -143.4 -83.4 PHI 18 18 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 PHE N 1.0 102.7 162.7 PSI 19 19 A 12 LEU C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -142.9 -82.9 PHI 20 20 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 CYS N 1.0 108.5 168.5 PSI 21 21 A 13 PHE C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -161.7 -101.7 PHI 22 22 A 14 CYS N A 14 CYS CA A 14 CYS C A 15 ILE N 1.0 117.7 177.7 PSI 23 23 A 14 CYS N A 14 CYS CA A 14 CYS CB A 14 CYS SG 1.0 -90.0 -30.0 CHI1 24 24 A 14 CYS C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -158.4 -98.4 PHI 25 25 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 GLU N 1.0 91.9 151.9 PSI 26 26 A 15 ILE C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 23.1 83.1 PHI 27 27 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 GLY N 1.0 10.7 70.7 PSI 28 28 A 16 GLU C A 17 GLY N A 17 GLY CA A 17 GLY C 1.0 52.0 112.0 PHI 29 29 A 17 GLY N A 17 GLY CA A 17 GLY C A 18 ILE N 1.0 -28.5 31.5 PSI 30 30 A 17 GLY C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -133.1 -73.1 PHI 31 31 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 CYS N 1.0 105.3 165.3 PSI 32 32 A 18 ILE C A 19 CYS N A 19 CYS CA A 19 CYS C 1.0 -162.1 -82.1 PHI 33 33 A 19 CYS N A 19 CYS CA A 19 CYS C A 20 VAL N 1.0 110.0 170.0 PSI 34 34 A 19 CYS N A 19 CYS CA A 19 CYS CB A 19 CYS SG 1.0 -90.0 -30.0 CHI1 35 35 A 19 CYS C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -160.7 -100.7 PHI 36 36 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 PRO N 1.0 108.2 168.2 PSI 37 37 A 21 PRO N A 21 PRO CA A 21 PRO C A 22 MET N 1.0 113.1 173.1 PSI 38 38 A 21 PRO C A 22 MET N A 22 MET CA A 22 MET C 1.0 -128.2 -28.2 PHI 39 39 A 22 MET N A 22 MET CA A 22 MET C A 23 ILE N 1.0 104.3 184.3 PSI stop_ save_