data_nef_c18405_2ls1 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_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 1 CYS SG 1 13 CYS SG 1 7 CYS SG 1 19 CYS SG 1 1 CYS N 1 9 ASP CG 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 CYS start -HG . 2 A 2 VAL middle . . 3 A 3 TRP middle . . 4 A 4 GLY middle . false 5 A 5 GLY middle . false 6 A 6 ASP middle . . 7 A 7 CYS middle -HG . 8 A 8 THR middle . . 9 A 9 ASP middle . . 10 A 10 PHE middle . . 11 A 11 LEU middle . . 12 A 12 GLY middle . false 13 A 13 CYS middle -HG . 14 A 14 GLY middle . false 15 A 15 THR middle . . 16 A 16 ALA middle . . 17 A 17 TRP middle . . 18 A 18 ILE middle . . 19 A 19 CYS middle -HG . 20 A 20 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 CYS H1 H 1 8.688 0.0025 A 1 CYS HA H 1 4.862 0.0025 A 1 CYS HBx H 1 2.498 0.0025 A 1 CYS HBy H 1 3.669 0.0025 A 1 CYS CB C 13 44.52 0.025 A 2 VAL H H 1 9.194 0.0025 A 2 VAL HA H 1 4.859 0.0025 A 2 VAL HB H 1 2.29 0.0025 A 2 VAL HGx% H 1 0.723 0.0025 A 2 VAL HGy% H 1 0.318 0.0025 A 2 VAL CA C 13 58.427 0.025 A 2 VAL CB C 13 32.195 0.025 A 2 VAL CGy C 13 19.558 0.025 A 2 VAL CGx C 13 16.66 0.025 A 3 TRP H H 1 8.721 0.0025 A 3 TRP HA H 1 4.87 0.0025 A 3 TRP HBx H 1 3.262 0.0025 A 3 TRP HBy H 1 3.328 0.0025 A 3 TRP HD1 H 1 7.197 0.0025 A 3 TRP HE1 H 1 10.464 0.0025 A 3 TRP HE3 H 1 7.625 0.0025 A 3 TRP HH2 H 1 7.131 0.0025 A 3 TRP HZ2 H 1 7.384 0.0025 A 3 TRP HZ3 H 1 7.078 0.0025 A 3 TRP CA C 13 55.776 0.025 A 3 TRP CB C 13 29.573 0.025 A 3 TRP CD1 C 13 124.37 0.025 A 3 TRP CE3 C 13 118.825 0.025 A 3 TRP CH2 C 13 122.267 0.025 A 3 TRP CZ2 C 13 112.162 0.025 A 3 TRP CZ3 C 13 119.584 0.025 A 4 GLY H H 1 8.193 0.0025 A 4 GLY HAx H 1 3.127 0.0025 A 4 GLY HAy H 1 4.018 0.0025 A 4 GLY CA C 13 44.651 0.025 A 5 GLY H H 1 8.646 0.0025 A 5 GLY HAx H 1 3.784 0.0025 A 5 GLY HAy H 1 4.158 0.0025 A 5 GLY CA C 13 42.116 0.025 A 6 ASP H H 1 8.237 0.0025 A 6 ASP HA H 1 4.908 0.0025 A 6 ASP HBx H 1 2.685 0.0025 A 6 ASP HBy H 1 2.879 0.0025 A 6 ASP CA C 13 51.55 0.025 A 6 ASP CB C 13 37.574 0.025 A 7 CYS H H 1 7.835 0.0025 A 7 CYS HA H 1 4.901 0.0025 A 7 CYS HBx H 1 3.317 0.0025 A 7 CYS HBy H 1 3.373 0.0025 A 7 CYS CA C 13 53.21 0.025 A 7 CYS CB C 13 43.9 0.025 A 8 THR H H 1 8.501 0.0025 A 8 THR HA H 1 4.629 0.0025 A 8 THR HB H 1 3.864 0.0025 A 8 THR HG2% H 1 1.19 0.0025 A 8 THR CA C 13 61.705 0.0025 A 8 THR CB C 13 68.438 0.0025 A 8 THR CG2 C 13 20.24 0.0025 A 9 ASP H H 1 7.887 0.0025 A 9 ASP HA H 1 4.612 0.0025 A 9 ASP HBx H 1 2.832 0.0025 A 9 ASP HBy H 1 2.889 0.0025 A 9 ASP CA C 13 52.97 0.025 A 9 ASP CB C 13 35.754 0.025 A 10 PHE H H 1 8.541 0.0025 A 10 PHE HA H 1 4.409 0.0025 A 10 PHE HBx H 1 2.815 0.0025 A 10 PHE HBy H 1 2.914 0.0025 A 10 PHE HDy H 1 7.268 0.0025 A 10 PHE HEy H 1 7.23 0.0025 A 10 PHE HZ H 1 7.18 0.0025 A 10 PHE CA C 13 55.779 0.025 A 10 PHE CB C 13 40.198 0.025 A 10 PHE CDy C 13 130.473 0.025 A 10 PHE CEy C 13 128.928 0.025 A 10 PHE CZ C 13 127.436 0.025 A 11 LEU H H 1 8.53 0.0025 A 11 LEU HA H 1 3.964 0.0025 A 11 LEU HBx H 1 1.547 0.0025 A 11 LEU HBy H 1 1.547 0.0025 A 11 LEU HDx% H 1 0.962 0.0025 A 11 LEU HDy% H 1 0.916 0.0025 A 11 LEU HG H 1 1.576 0.0025 A 11 LEU CA C 13 55.49 0.025 A 11 LEU CB C 13 40.425 0.025 A 11 LEU CDx C 13 22.42 0.025 A 11 LEU CDy C 13 22.51 0.025 A 11 LEU CG C 13 25.309 0.025 A 12 GLY H H 1 9.002 0.0025 A 12 GLY HAx H 1 3.598 0.0025 A 12 GLY HAy H 1 4.181 0.0025 A 12 GLY CA C 13 43.744 0.025 A 13 CYS H H 1 8.628 0.0025 A 13 CYS HA H 1 4.597 0.0025 A 13 CYS HBx H 1 3.175 0.0025 A 13 CYS HBy H 1 3.587 0.0025 A 14 GLY H H 1 7.619 0.0025 A 14 GLY HAy H 1 3.972 0.0025 A 14 GLY CA C 13 44.874 0.025 A 15 THR H H 1 9.207 0.0025 A 15 THR HA H 1 5.549 0.0025 A 15 THR HB H 1 4.197 0.0025 A 15 THR HG2% H 1 1.051 0.0025 A 15 THR CA C 13 58.66 0.025 A 15 THR CB C 13 71.883 0.025 A 15 THR CG2 C 13 19.84 0.025 A 16 ALA H H 1 8.234 0.0025 A 16 ALA HA H 1 4.533 0.0025 A 16 ALA HB% H 1 1.333 0.0025 A 16 ALA CA C 13 48.5 0.025 A 16 ALA CB C 13 20.986 0.025 A 17 TRP H H 1 8.374 0.0025 A 17 TRP HA H 1 4.890 0.0025 A 17 TRP HBx H 1 3.034 0.0025 A 17 TRP HBy H 1 3.373 0.0025 A 17 TRP HD1 H 1 6.626 0.0025 A 17 TRP HE1 H 1 10.238 0.0025 A 17 TRP HE3 H 1 7.501 0.0025 A 17 TRP HH2 H 1 7.104 0.0025 A 17 TRP HZ2 H 1 7.413 0.0025 A 17 TRP HZ3 H 1 7.016 0.0025 A 17 TRP CA C 13 55.197 0.025 A 17 TRP CB C 13 28.122 0.025 A 17 TRP CD1 C 13 121.533 0.025 A 17 TRP CE3 C 13 118.37 0.025 A 17 TRP CH2 C 13 122.267 0.025 A 17 TRP CZ2 C 13 112.268 0.025 A 17 TRP CZ3 C 13 119.413 0.025 A 18 ILE H H 1 7.112 0.0025 A 18 ILE HA H 1 4.343 0.0025 A 18 ILE HB H 1 1.812 0.0025 A 18 ILE HD1% H 1 0.945 0.0025 A 18 ILE HG1x H 1 1.200 0.0025 A 18 ILE HG1y H 1 1.590 0.0025 A 18 ILE HG2% H 1 0.945 0.0025 A 18 ILE CA C 13 58.55 0.025 A 18 ILE CB C 13 38.017 0.025 A 18 ILE CD1 C 13 10.8 0.025 A 18 ILE CG1 C 13 25.65 0.025 A 18 ILE CG2 C 13 15.4 0.025 A 19 CYS H H 1 8.517 0.0025 A 19 CYS HA H 1 4.845 0.0025 A 19 CYS HBx H 1 2.730 0.0025 A 19 CYS HBy H 1 3.141 0.0025 A 19 CYS CA C 13 52.59 0.025 A 19 CYS CB C 13 42.427 0.025 A 20 VAL H H 1 7.863 0.0025 A 20 VAL HA H 1 4.255 0.0025 A 20 VAL HB H 1 2.167 0.0025 A 20 VAL HGx% H 1 0.930 0.0025 A 20 VAL HGy% H 1 0.920 0.0025 A 20 VAL CA C 13 59.807 0.025 A 20 VAL CB C 13 31.885 0.025 A 20 VAL CGy C 13 19.43 0.025 A 20 VAL CGx C 13 17.88 0.025 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 1 CYS HBx A 1 CYS HBy 1.0 1.8 2.3 2 2 A 1 CYS H1 A 1 CYS HBy 1.0 2.0 3.6 3 2 A 1 CYS HBx A 1 CYS H1 1.0 2.0 3.6 4 3 A 1 CYS H1 A 2 VAL H 1.0 1.9 3.5 5 4 A 2 VAL H A 1 CYS HBy 1.0 2.7 4.9 6 4 A 1 CYS HBx A 2 VAL H 1.0 2.7 4.9 7 5 A 1 CYS HBy A 2 VAL HGy% 1.0 2.8 5.2 8 5 A 1 CYS HBx A 2 VAL HGy% 1.0 2.8 5.2 9 5 A 2 VAL HGx% A 1 CYS HBy 1.0 2.8 5.2 10 5 A 1 CYS HBx A 2 VAL HGx% 1.0 2.8 5.2 11 6 A 1 CYS H1 A 9 ASP HBy 1.0 1.9 3.5 12 7 A 1 CYS H1 A 9 ASP HBx 1.0 1.9 3.5 13 8 A 10 PHE HD% A 1 CYS HBy 1.0 2.7 5.1 14 8 A 1 CYS HBx A 10 PHE HD% 1.0 2.7 5.1 15 9 A 1 CYS HA A 14 GLY H 1.0 2.0 3.8 16 10 A 14 GLY H A 1 CYS HBy 1.0 2.9 5.3 17 10 A 1 CYS HBx A 14 GLY H 1.0 2.9 5.3 18 11 A 2 VAL H A 2 VAL HB 1.0 2.4 4.4 19 12 A 2 VAL H A 2 VAL HGy% 1.0 1.8 3.3 20 12 A 2 VAL H A 2 VAL HGx% 1.0 1.8 3.3 21 13 A 2 VAL HA A 2 VAL HGy% 1.0 1.8 3.4 22 13 A 2 VAL HGx% A 2 VAL HA 1.0 1.8 3.4 23 14 A 2 VAL HB A 2 VAL HA 1.0 1.8 3.1 24 15 A 2 VAL HGx% A 2 VAL HGy% 1.0 1.8 3.1 25 16 A 2 VAL HB A 2 VAL HGy% 1.0 1.8 2.6 26 16 A 2 VAL HGx% A 2 VAL HB 1.0 1.8 2.6 27 17 A 2 VAL HB A 3 TRP H 1.0 1.8 2.7 28 18 A 3 TRP H A 2 VAL HGy% 1.0 2.1 3.9 29 18 A 2 VAL HGx% A 3 TRP H 1.0 2.1 3.9 30 19 A 5 GLY H A 2 VAL HGy% 1.0 2.8 5.2 31 19 A 2 VAL HGx% A 5 GLY H 1.0 2.8 5.2 32 20 A 2 VAL H A 9 ASP HBx 1.0 2.3 4.3 33 20 A 2 VAL H A 9 ASP HBy 1.0 2.3 4.3 34 21 A 15 THR HB A 2 VAL HGy% 1.0 2.4 4.4 35 21 A 2 VAL HGx% A 15 THR HB 1.0 2.4 4.4 36 22 A 2 VAL H A 16 ALA HA 1.0 2.6 4.8 37 23 A 16 ALA HA A 2 VAL HGy% 1.0 2.0 3.6 38 23 A 2 VAL HGx% A 16 ALA HA 1.0 2.0 3.6 39 24 A 16 ALA H A 2 VAL HGy% 1.0 3.1 5.7 40 24 A 2 VAL HGx% A 16 ALA H 1.0 3.1 5.7 41 25 A 16 ALA HB% A 2 VAL HGy% 1.0 2.6 4.8 42 25 A 2 VAL HGx% A 16 ALA HB% 1.0 2.6 4.8 43 26 A 2 VAL HB A 17 TRP HE1 1.0 2.6 4.8 44 27 A 2 VAL HB A 17 TRP HZ2 1.0 2.5 4.7 45 28 A 17 TRP HD1 A 2 VAL HGy% 1.0 2.1 3.9 46 28 A 2 VAL HGx% A 17 TRP HD1 1.0 2.1 3.9 47 29 A 17 TRP H A 2 VAL HGy% 1.0 2.5 4.7 48 29 A 2 VAL HGx% A 17 TRP H 1.0 2.5 4.7 49 30 A 17 TRP HE1 A 2 VAL HGy% 1.0 2.1 3.9 50 30 A 2 VAL HGx% A 17 TRP HE1 1.0 2.1 3.9 51 31 A 3 TRP H A 3 TRP HBx 1.0 1.8 3.4 52 32 A 3 TRP H A 3 TRP HBy 1.0 1.8 3.4 53 33 A 3 TRP H A 3 TRP HD1 1.0 2.9 5.3 54 34 A 3 TRP HE3 A 3 TRP HBx 1.0 2.1 3.9 55 34 A 3 TRP HBy A 3 TRP HE3 1.0 2.1 3.9 56 35 A 3 TRP HD1 A 3 TRP HBx 1.0 2.2 4.2 57 35 A 3 TRP HD1 A 3 TRP HBy 1.0 2.2 4.2 58 36 A 3 TRP HD1 A 3 TRP HE1 1.0 1.8 3.4 59 37 A 4 GLY H A 3 TRP HBx 1.0 2.4 4.6 60 37 A 3 TRP HBy A 4 GLY H 1.0 2.4 4.6 61 38 A 3 TRP HD1 A 4 GLY H 1.0 2.7 5.1 62 39 A 3 TRP HD1 A 4 GLY HAy 1.0 2.5 4.7 63 39 A 3 TRP HD1 A 4 GLY HAx 1.0 2.5 4.7 64 40 A 3 TRP H A 17 TRP HE1 1.0 2.7 4.9 65 41 A 3 TRP H A 17 TRP HZ2 1.0 2.7 4.9 66 42 A 4 GLY H A 4 GLY HAy 1.0 1.8 3.0 67 42 A 4 GLY H A 4 GLY HAx 1.0 1.8 3.0 68 43 A 4 GLY HAx A 4 GLY HAy 1.0 1.8 2.3 69 44 A 5 GLY H A 4 GLY H 1.0 1.9 3.5 70 45 A 5 GLY H A 4 GLY HAy 1.0 2.2 4.2 71 45 A 5 GLY H A 4 GLY HAx 1.0 2.2 4.2 72 46 A 4 GLY H A 15 THR HG2% 1.0 2.4 4.6 73 47 A 17 TRP HE1 A 4 GLY HAy 1.0 2.2 4.0 74 47 A 17 TRP HE1 A 4 GLY HAx 1.0 2.2 4.0 75 48 A 5 GLY HAx A 5 GLY HAy 1.0 1.8 2.3 76 49 A 5 GLY H A 5 GLY HAy 1.0 1.8 3.1 77 49 A 5 GLY H A 5 GLY HAx 1.0 1.8 3.1 78 50 A 6 ASP H A 5 GLY HAy 1.0 1.8 3.3 79 50 A 5 GLY HAx A 6 ASP H 1.0 1.8 3.3 80 51 A 7 CYS H A 5 GLY HAy 1.0 2.3 4.3 81 51 A 5 GLY HAx A 7 CYS H 1.0 2.3 4.3 82 52 A 5 GLY H A 15 THR HB 1.0 1.8 3.0 83 53 A 5 GLY H A 15 THR HG2% 1.0 2.2 4.0 84 54 A 5 GLY H A 17 TRP HD1 1.0 2.4 4.4 85 55 A 5 GLY H A 17 TRP HE1 1.0 2.5 4.7 86 56 A 17 TRP HA A 5 GLY HAy 1.0 2.3 4.3 87 56 A 5 GLY HAx A 17 TRP HA 1.0 2.3 4.3 88 57 A 17 TRP HD1 A 5 GLY HAy 1.0 2.0 3.6 89 57 A 17 TRP HD1 A 5 GLY HAx 1.0 2.0 3.6 90 58 A 17 TRP HE1 A 5 GLY HAy 1.0 2.8 5.2 91 58 A 17 TRP HE1 A 5 GLY HAx 1.0 2.8 5.2 92 59 A 6 ASP H A 6 ASP HBx 1.0 1.9 3.5 93 59 A 6 ASP H A 6 ASP HBy 1.0 1.9 3.5 94 60 A 6 ASP H A 7 CYS H 1.0 1.8 3.1 95 61 A 7 CYS H A 6 ASP HBx 1.0 2.7 4.9 96 61 A 7 CYS H A 6 ASP HBy 1.0 2.7 4.9 97 62 A 7 CYS H A 7 CYS HA 1.0 1.9 3.5 98 63 A 7 CYS H A 7 CYS HBy 1.0 2.2 4.0 99 64 A 7 CYS H A 7 CYS HBx 1.0 2.2 4.0 100 65 A 7 CYS HA A 8 THR H 1.0 1.8 3.4 101 66 A 8 THR H A 7 CYS HBy 1.0 1.9 3.5 102 66 A 8 THR H A 7 CYS HBx 1.0 1.9 3.5 103 67 A 7 CYS H A 15 THR HA 1.0 2.7 5.1 104 68 A 15 THR HB A 7 CYS H 1.0 2.0 3.6 105 69 A 15 THR HG2% A 7 CYS H 1.0 2.6 4.8 106 70 A 16 ALA HB% A 7 CYS HBy 1.0 2.9 5.5 107 70 A 16 ALA HB% A 7 CYS HBx 1.0 2.9 5.5 108 71 A 8 THR H A 8 THR HA 1.0 2.2 4.0 109 72 A 8 THR H A 8 THR HB 1.0 1.9 3.5 110 73 A 8 THR H A 8 THR HG2% 1.0 2.4 4.6 111 74 A 8 THR HA A 8 THR HB 1.0 1.8 3.4 112 75 A 8 THR HB A 8 THR HG2% 1.0 1.8 3.3 113 76 A 8 THR HA A 8 THR HG2% 1.0 2.1 3.9 114 77 A 8 THR HB A 9 ASP H 1.0 2.3 4.3 115 78 A 8 THR HG2% A 9 ASP H 1.0 2.1 3.9 116 79 A 8 THR HG2% A 10 PHE H 1.0 2.2 4.0 117 80 A 8 THR HG2% A 10 PHE HA 1.0 2.5 4.7 118 81 A 8 THR HG2% A 11 LEU HA 1.0 2.1 3.9 119 82 A 14 GLY H A 8 THR HG2% 1.0 2.7 4.9 120 83 A 15 THR HA A 8 THR HA 1.0 1.8 2.6 121 84 A 15 THR HB A 8 THR HA 1.0 2.7 5.1 122 85 A 15 THR HG2% A 8 THR HA 1.0 2.2 4.0 123 86 A 16 ALA H A 8 THR HA 1.0 2.3 4.3 124 87 A 9 ASP H A 9 ASP HBx 1.0 2.2 4.0 125 87 A 9 ASP HBy A 9 ASP H 1.0 2.2 4.0 126 88 A 9 ASP HA A 9 ASP HBx 1.0 1.8 3.3 127 88 A 9 ASP HBy A 9 ASP HA 1.0 1.8 3.3 128 89 A 10 PHE H A 9 ASP HA 1.0 2.0 3.8 129 90 A 9 ASP H A 10 PHE H 1.0 1.8 3.1 130 91 A 9 ASP H A 15 THR H 1.0 2.5 4.7 131 92 A 15 THR HA A 9 ASP H 1.0 1.8 3.3 132 93 A 15 THR HG2% A 9 ASP H 1.0 2.9 5.5 133 94 A 16 ALA HB% A 9 ASP HA 1.0 1.8 3.4 134 95 A 16 ALA HA A 9 ASP HBx 1.0 2.5 4.7 135 95 A 9 ASP HBy A 16 ALA HA 1.0 2.5 4.7 136 96 A 16 ALA HB% A 9 ASP HBx 1.0 2.0 3.6 137 96 A 9 ASP HBy A 16 ALA HB% 1.0 2.0 3.6 138 97 A 10 PHE H A 10 PHE HBx 1.0 2.0 3.8 139 97 A 10 PHE H A 10 PHE HBy 1.0 2.0 3.8 140 98 A 10 PHE HA A 10 PHE HBx 1.0 2.0 3.8 141 98 A 10 PHE HA A 10 PHE HBy 1.0 2.0 3.8 142 99 A 10 PHE HD% A 10 PHE HA 1.0 2.4 4.4 143 100 A 10 PHE HA A 11 LEU H 1.0 2.0 3.6 144 101 A 10 PHE H A 13 CYS HBy 1.0 2.0 3.8 145 101 A 10 PHE H A 13 CYS HBx 1.0 2.0 3.8 146 102 A 10 PHE HBx A 13 CYS HBy 1.0 2.0 3.8 147 102 A 10 PHE HBy A 13 CYS HBy 1.0 2.0 3.8 148 102 A 13 CYS HBx A 10 PHE HBx 1.0 2.0 3.8 149 102 A 10 PHE HBy A 13 CYS HBx 1.0 2.0 3.8 150 103 A 14 GLY H A 10 PHE H 1.0 2.2 4.2 151 104 A 14 GLY H A 10 PHE HBy 1.0 2.9 5.3 152 105 A 14 GLY H A 10 PHE HBx 1.0 2.9 5.3 153 106 A 11 LEU HA A 11 LEU HG 1.0 1.8 3.4 154 107 A 11 LEU HA A 12 GLY H 1.0 1.8 2.6 155 108 A 12 GLY H A 12 GLY HAy 1.0 1.8 3.3 156 108 A 12 GLY H A 12 GLY HAx 1.0 1.8 3.3 157 109 A 12 GLY HAx A 12 GLY HAy 1.0 1.8 2.3 158 110 A 13 CYS HBx A 13 CYS HBy 1.0 1.8 2.6 159 111 A 14 GLY H A 13 CYS HBy 1.0 1.8 3.1 160 111 A 14 GLY H A 13 CYS HBx 1.0 1.8 3.1 161 112 A 14 GLY H A 14 GLY HAx 1.0 1.8 3.1 162 112 A 14 GLY H A 14 GLY HAy 1.0 1.8 3.1 163 113 A 14 GLY H A 15 THR H 1.0 2.6 4.8 164 114 A 15 THR H A 14 GLY HAx 1.0 1.8 2.7 165 114 A 15 THR H A 14 GLY HAy 1.0 1.8 2.7 166 115 A 15 THR HA A 14 GLY HAx 1.0 2.6 4.8 167 115 A 15 THR HA A 14 GLY HAy 1.0 2.6 4.8 168 116 A 14 GLY H A 15 THR HG2% 1.0 3.0 5.6 169 117 A 15 THR HG2% A 14 GLY HAx 1.0 2.0 3.8 170 117 A 15 THR HG2% A 14 GLY HAy 1.0 2.0 3.8 171 118 A 15 THR HG2% A 15 THR H 1.0 2.0 3.8 172 119 A 15 THR HB A 15 THR HA 1.0 1.8 3.0 173 120 A 15 THR HB A 15 THR HG2% 1.0 1.8 2.7 174 121 A 15 THR HG2% A 15 THR HA 1.0 1.8 3.3 175 122 A 16 ALA H A 15 THR H 1.0 2.5 4.7 176 123 A 16 ALA H A 15 THR HA 1.0 1.8 3.1 177 124 A 16 ALA HB% A 15 THR HA 1.0 2.6 4.8 178 125 A 15 THR HB A 16 ALA H 1.0 1.8 2.7 179 126 A 16 ALA H A 15 THR HG2% 1.0 2.4 4.4 180 127 A 16 ALA H A 16 ALA HB% 1.0 1.9 3.5 181 128 A 16 ALA HA A 16 ALA HB% 1.0 1.8 3.0 182 129 A 16 ALA HA A 17 TRP HD1 1.0 2.5 4.7 183 130 A 16 ALA HA A 17 TRP H 1.0 1.8 3.1 184 131 A 16 ALA HB% A 17 TRP HD1 1.0 3.1 5.9 185 132 A 16 ALA HB% A 18 ILE H 1.0 2.8 5.2 186 133 A 16 ALA HB% A 19 CYS H 1.0 2.9 5.5 187 134 A 16 ALA HB% A 19 CYS HA 1.0 2.7 4.9 188 135 A 17 TRP H A 17 TRP HBx 1.0 1.8 3.4 189 135 A 17 TRP H A 17 TRP HBy 1.0 1.8 3.4 190 136 A 17 TRP HD1 A 17 TRP H 1.0 2.3 4.3 191 137 A 17 TRP HD1 A 17 TRP HA 1.0 1.8 3.4 192 138 A 17 TRP HBy A 17 TRP HBx 1.0 1.8 2.5 193 139 A 17 TRP HD1 A 17 TRP HBx 1.0 2.4 4.4 194 140 A 17 TRP HD1 A 17 TRP HBy 1.0 2.4 4.4 195 141 A 17 TRP HE3 A 17 TRP HBx 1.0 2.3 4.3 196 141 A 17 TRP HBy A 17 TRP HE3 1.0 2.3 4.3 197 142 A 17 TRP HE1 A 17 TRP HD1 1.0 1.8 3.3 198 143 A 17 TRP H A 18 ILE H 1.0 1.9 3.5 199 144 A 18 ILE HA A 18 ILE HG1x 1.0 2.2 4.2 200 144 A 18 ILE HA A 18 ILE HG1y 1.0 2.2 4.2 201 145 A 18 ILE HB A 18 ILE HG1x 1.0 2.0 3.8 202 145 A 18 ILE HG1y A 18 ILE HB 1.0 2.0 3.8 203 146 A 19 CYS H A 18 ILE HA 1.0 1.8 3.0 204 147 A 19 CYS H A 18 ILE HB 1.0 2.4 4.6 205 148 A 19 CYS H A 18 ILE HG2% 1.0 2.2 4.0 206 149 A 19 CYS H A 19 CYS HA 1.0 2.0 3.6 207 150 A 19 CYS H A 19 CYS HBy 1.0 1.9 3.5 208 150 A 19 CYS H A 19 CYS HBx 1.0 1.9 3.5 209 151 A 19 CYS HA A 19 CYS HBy 1.0 1.8 3.4 210 151 A 19 CYS HA A 19 CYS HBx 1.0 1.8 3.4 211 152 A 19 CYS HBx A 19 CYS HBy 1.0 1.8 2.3 212 153 A 19 CYS HA A 20 VAL H 1.0 2.0 3.6 213 154 A 20 VAL H A 19 CYS HBy 1.0 2.4 4.4 214 154 A 19 CYS HBx A 20 VAL H 1.0 2.4 4.4 215 155 A 20 VAL H A 20 VAL HA 1.0 2.2 4.0 216 156 A 20 VAL H A 20 VAL HB 1.0 2.6 4.8 217 157 A 20 VAL HA A 20 VAL HB 1.0 2.4 4.4 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 16 ALA HB% A 7 CYS HBy 1.0 2.3 4.3 2 1 A 16 ALA HB% A 17 TRP HBx 1.0 2.3 4.3 3 1 A 16 ALA HB% A 17 TRP HBy 1.0 2.3 4.3 4 1 A 16 ALA HB% A 7 CYS HBx 1.0 2.3 4.3 5 2 A 9 ASP H A 9 ASP HA 1.0 1.8 2.7 6 2 A 8 THR HA A 9 ASP H 1.0 1.8 2.7 7 3 A 2 VAL HA A 14 GLY HAx 1.0 1.8 3.4 8 3 A 1 CYS HA A 14 GLY HAx 1.0 1.8 3.4 9 3 A 2 VAL HA A 14 GLY HAy 1.0 1.8 3.4 10 3 A 1 CYS HA A 14 GLY HAy 1.0 1.8 3.4 11 4 A 18 ILE HA A 18 ILE HG2% 1.0 1.8 3.4 12 4 A 18 ILE HA A 18 ILE HD1% 1.0 1.8 3.4 13 5 A 9 ASP H A 14 GLY HAx 1.0 2.5 4.7 14 5 A 9 ASP H A 14 GLY HAy 1.0 2.5 4.7 15 5 A 9 ASP H A 11 LEU HA 1.0 2.5 4.7 16 6 A 15 THR HB A 15 THR H 1.0 1.8 3.1 17 6 A 2 VAL H A 15 THR HB 1.0 1.8 3.1 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 1 CYS C A 2 VAL N A 2 VAL CA A 2 VAL C 1.0 -150.0 -90.0 PHI 2 2 A 2 VAL C A 3 TRP N A 3 TRP CA A 3 TRP C 1.0 -165.0 -75.0 PHI 3 3 A 5 GLY C A 6 ASP N A 6 ASP CA A 6 ASP C 1.0 -165.0 -75.0 PHI 4 4 A 6 ASP C A 7 CYS N A 7 CYS CA A 7 CYS C 1.0 -165.0 -75.0 PHI 5 5 A 7 CYS C A 8 THR N A 8 THR CA A 8 THR C 1.0 -165.0 -75.0 PHI 6 6 A 8 THR C A 9 ASP N A 9 ASP CA A 9 ASP C 1.0 -150.0 -90.0 PHI 7 7 A 9 ASP C A 10 PHE N A 10 PHE CA A 10 PHE C 1.0 -165.0 -75.0 PHI 8 8 A 14 GLY C A 15 THR N A 15 THR CA A 15 THR C 1.0 -150.0 -90.0 PHI 9 9 A 15 THR C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -150.0 -90.0 PHI 10 10 A 16 ALA C A 17 TRP N A 17 TRP CA A 17 TRP C 1.0 -150.0 -90.0 PHI 11 11 A 18 ILE C A 19 CYS N A 19 CYS CA A 19 CYS C 1.0 -150.0 -90.0 PHI 12 12 A 19 CYS C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -165.0 -75.0 PHI stop_ save_