data_nef_c30642_6pv1 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 6PV1 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 PHE C 1 4 NLE N 1 4 NLE C 1 5 CYS N 1 5 CYS SG 2 1 ZN ZN 1 7 TRP C 1 8 AIB N 1 8 AIB C 1 9 GLY N 1 10 CYS SG 2 1 ZN ZN 1 23 HIS NE2 2 1 ZN ZN 1 27 HIS NE2 2 1 ZN ZN 1 31 LYS C 1 32 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 ARG start . . 2 A 2 PRO middle . false 3 A 3 PHE middle -OXT . 4 A 4 NLE middle -HN2,-OXT . 5 A 5 CYS middle -H2,-HG . 6 A 6 THR middle . . 7 A 7 TRP middle -OXT . 8 A 8 AIB middle -H2,-OXT . 9 A 9 GLY middle -H2 false 10 A 10 CYS middle -HG . 11 A 11 GLY middle . false 12 A 12 LYS middle . . 13 A 13 ARG middle . . 14 A 14 PHE middle . . 15 A 15 THR middle . . 16 A 16 ARG middle . . 17 A 17 SER middle . . 18 A 18 ASP middle . . 19 A 19 GLU middle . . 20 A 20 LEU middle . . 21 A 21 GLN middle . . 22 A 22 ARG middle . . 23 A 23 HIS middle -HE2 . 24 A 24 LYS middle . . 25 A 25 ARG middle . . 26 A 26 THR middle . . 27 A 27 HIS middle -HE2 . 28 A 28 THR middle . . 29 A 29 GLY middle . false 30 A 30 GLU middle . . 31 A 31 LYS middle -OXT . 32 A 32 NH2 end . . 33 B 1 ZN . . . 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 ARG HA H 1 4.181 0.000 A 1 ARG HB2 H 1 1.761 0.001 A 1 ARG HB3 H 1 1.761 0.001 A 1 ARG HD2 H 1 3.115 0.001 A 1 ARG HD3 H 1 3.115 0.001 A 1 ARG HG2 H 1 1.579 0.001 A 1 ARG HG3 H 1 1.579 0.001 A 2 PRO HA H 1 4.500 0.001 A 2 PRO HBy H 1 2.188 0.002 A 2 PRO HBx H 1 1.625 0.001 A 2 PRO HDy H 1 3.696 0.001 A 2 PRO HDx H 1 3.575 0.003 A 2 PRO HGy H 1 1.956 0.002 A 2 PRO HGx H 1 1.873 0.001 A 3 PHE H H 1 8.565 0.000 A 3 PHE HA H 1 4.631 0.002 A 3 PHE HBy H 1 3.059 0.001 A 3 PHE HBx H 1 2.955 0.001 A 3 PHE HD1 H 1 7.180 0.000 A 3 PHE HD2 H 1 7.180 0.000 A 3 PHE HE1 H 1 7.429 0.001 A 3 PHE HE2 H 1 7.429 0.001 A 4 NLE H H 1 8.420 0.001 A 4 NLE HA H 1 4.978 0.001 A 4 NLE HBx H 1 1.537 0.004 A 4 NLE HBy H 1 1.707 0.001 A 4 NLE HDx H 1 1.202 0.002 A 4 NLE HDy H 1 1.202 0.002 A 4 NLE HE% H 1 0.804 0.001 A 4 NLE HGx H 1 1.071 0.000 A 4 NLE HGy H 1 1.106 0.003 A 5 CYS H H 1 9.110 0.000 A 5 CYS HA H 1 4.580 0.001 A 5 CYS HBy H 1 3.425 0.000 A 5 CYS HBx H 1 2.901 0.000 A 6 THR HA H 1 4.507 0.001 A 6 THR HB H 1 4.675 0.000 A 6 THR HG2% H 1 1.276 0.000 A 7 TRP H H 1 8.851 0.001 A 7 TRP HA H 1 4.038 0.001 A 7 TRP HBy H 1 2.786 0.001 A 7 TRP HBx H 1 2.610 0.002 A 7 TRP HD1 H 1 6.837 0.000 A 7 TRP HE1 H 1 10.028 0.000 A 7 TRP HE3 H 1 7.393 0.000 A 7 TRP HH2 H 1 7.148 0.000 A 7 TRP HZ2 H 1 7.457 0.000 A 7 TRP HZ3 H 1 7.080 0.000 A 8 AIB H H 1 8.225 0.001 A 8 AIB HBx% H 1 1.106 0.000 A 8 AIB HBy% H 1 1.375 0.000 A 9 GLY H H 1 8.134 0.000 A 9 GLY HAy H 1 4.011 0.000 A 9 GLY HAx H 1 3.758 0.002 A 10 CYS H H 1 8.132 0.000 A 10 CYS HA H 1 4.418 0.001 A 10 CYS HBy H 1 3.263 0.001 A 10 CYS HBx H 1 3.170 0.002 A 11 GLY H H 1 8.452 0.001 A 11 GLY HAy H 1 4.016 0.002 A 11 GLY HAx H 1 3.877 0.003 A 12 LYS H H 1 8.078 0.000 A 12 LYS HA H 1 4.000 0.001 A 12 LYS HB2 H 1 1.417 0.002 A 12 LYS HB3 H 1 1.417 0.002 A 12 LYS HD2 H 1 1.490 0.002 A 12 LYS HD3 H 1 1.490 0.002 A 12 LYS HE2 H 1 3.003 0.000 A 12 LYS HE3 H 1 3.003 0.000 A 12 LYS HGy H 1 1.329 0.001 A 12 LYS HGx H 1 1.251 0.000 A 13 ARG H H 1 7.817 0.002 A 13 ARG HA H 1 5.064 0.001 A 13 ARG HB2 H 1 1.499 0.001 A 13 ARG HB3 H 1 1.499 0.001 A 13 ARG HD2 H 1 3.101 0.003 A 13 ARG HD3 H 1 3.101 0.003 A 13 ARG HE H 1 7.189 0.000 A 13 ARG HGy H 1 1.648 0.002 A 13 ARG HGx H 1 1.442 0.003 A 14 PHE H H 1 8.772 0.000 A 14 PHE HA H 1 4.880 0.002 A 14 PHE HBy H 1 3.593 0.001 A 14 PHE HBx H 1 2.646 0.002 A 14 PHE HD1 H 1 7.198 0.001 A 14 PHE HD2 H 1 7.198 0.001 A 14 PHE HE1 H 1 6.898 0.000 A 14 PHE HE2 H 1 6.898 0.000 A 14 PHE HZ H 1 6.213 0.000 A 15 THR H H 1 9.174 0.000 A 15 THR HA H 1 4.558 0.001 A 15 THR HB H 1 4.466 0.001 A 15 THR HG2% H 1 1.336 0.003 A 16 ARG H H 1 7.745 0.002 A 16 ARG HA H 1 4.717 0.001 A 16 ARG HB2 H 1 2.149 0.002 A 16 ARG HB3 H 1 2.149 0.002 A 16 ARG HDy H 1 3.308 0.000 A 16 ARG HDx H 1 3.260 0.002 A 16 ARG HGy H 1 1.671 0.000 A 16 ARG HGx H 1 1.642 0.000 A 17 SER H H 1 8.520 0.001 A 17 SER HA H 1 3.090 0.001 A 17 SER HBy H 1 3.510 0.001 A 17 SER HBx H 1 3.389 0.003 A 18 ASP H H 1 8.719 0.001 A 18 ASP HA H 1 4.204 0.003 A 18 ASP HBy H 1 2.668 0.005 A 18 ASP HBx H 1 2.592 0.000 A 19 GLU H H 1 7.037 0.001 A 19 GLU HA H 1 3.853 0.000 A 19 GLU HBy H 1 2.305 0.001 A 19 GLU HBx H 1 2.264 0.001 A 19 GLU HG2 H 1 2.081 0.003 A 19 GLU HG3 H 1 2.081 0.003 A 20 LEU H H 1 6.980 0.004 A 20 LEU HA H 1 3.258 0.001 A 20 LEU HBy H 1 1.998 0.000 A 20 LEU HBx H 1 1.290 0.003 A 20 LEU HDx% H 1 1.069 0.001 A 20 LEU HDy% H 1 1.095 0.001 A 20 LEU HG H 1 1.546 0.000 A 21 GLN H H 1 8.150 0.000 A 21 GLN HA H 1 3.863 0.002 A 21 GLN HB2 H 1 2.073 0.001 A 21 GLN HB3 H 1 2.073 0.001 A 21 GLN HG2 H 1 2.402 0.001 A 21 GLN HG3 H 1 2.402 0.001 A 22 ARG H H 1 7.675 0.004 A 22 ARG HA H 1 3.896 0.001 A 22 ARG HBy H 1 1.808 0.000 A 22 ARG HBx H 1 1.760 0.000 A 22 ARG HDy H 1 3.229 0.000 A 22 ARG HDx H 1 3.132 0.000 A 22 ARG HG2 H 1 1.506 0.000 A 22 ARG HG3 H 1 1.506 0.000 A 23 HIS H H 1 7.692 0.001 A 23 HIS HA H 1 4.232 0.001 A 23 HIS HBy H 1 3.013 0.002 A 23 HIS HBx H 1 2.866 0.002 A 23 HIS HD2 H 1 7.067 0.001 A 23 HIS HE1 H 1 7.901 0.001 A 24 LYS H H 1 8.746 0.000 A 24 LYS HA H 1 3.628 0.001 A 24 LYS HB2 H 1 1.963 0.000 A 24 LYS HB3 H 1 1.963 0.000 A 24 LYS HD2 H 1 1.780 0.000 A 24 LYS HD3 H 1 1.780 0.000 A 24 LYS HEy H 1 3.170 0.000 A 24 LYS HEx H 1 3.093 0.000 A 24 LYS HG2 H 1 1.846 0.000 A 24 LYS HG3 H 1 1.846 0.000 A 25 ARG H H 1 7.044 0.002 A 25 ARG HA H 1 4.127 0.002 A 25 ARG HB2 H 1 1.794 0.000 A 25 ARG HB3 H 1 1.794 0.000 A 25 ARG HD2 H 1 3.163 0.001 A 25 ARG HD3 H 1 3.163 0.001 A 25 ARG HE H 1 7.235 0.000 A 25 ARG HGy H 1 1.891 0.006 A 25 ARG HGx H 1 1.635 0.001 A 26 THR H H 1 7.670 0.002 A 26 THR HA H 1 4.022 0.000 A 26 THR HB H 1 3.927 0.000 A 26 THR HG2% H 1 1.109 0.001 A 27 HIS H H 1 6.872 0.000 A 27 HIS HA H 1 4.262 0.001 A 27 HIS HBy H 1 2.120 0.001 A 27 HIS HBx H 1 0.966 0.002 A 27 HIS HD2 H 1 6.227 0.001 A 27 HIS HE1 H 1 7.950 0.000 A 28 THR H H 1 7.459 0.000 A 28 THR HA H 1 4.248 0.000 A 28 THR HB H 1 4.301 0.003 A 28 THR HG2% H 1 1.168 0.000 A 29 GLY H H 1 8.167 0.000 A 29 GLY HAy H 1 4.057 0.001 A 29 GLY HAx H 1 3.962 0.002 A 30 GLU H H 1 8.177 0.000 A 30 GLU HA H 1 4.248 0.001 A 30 GLU HBy H 1 2.047 0.003 A 30 GLU HBx H 1 1.937 0.001 A 30 GLU HG2 H 1 2.257 0.003 A 30 GLU HG3 H 1 2.257 0.003 A 31 LYS H H 1 8.431 0.001 A 31 LYS HA H 1 4.253 0.001 A 31 LYS HBy H 1 1.852 0.001 A 31 LYS HBx H 1 1.768 0.001 A 31 LYS HD2 H 1 1.675 0.001 A 31 LYS HD3 H 1 1.675 0.001 A 31 LYS HE2 H 1 2.995 0.000 A 31 LYS HE3 H 1 2.995 0.000 A 31 LYS HGy H 1 1.471 0.001 A 31 LYS HGx H 1 1.424 0.003 A 32 NH2 HNx H 1 7.083 0.000 A 32 NH2 HNy H 1 7.544 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 30 GLU HBx A 30 GLU HG2 1.0 1.384 2.178 2 1 A 30 GLU HBx A 30 GLU HG3 1.0 1.384 2.178 3 1 A 19 GLU HBy A 19 GLU HG2 1.0 1.384 2.178 4 1 A 19 GLU HG3 A 19 GLU HBy 1.0 1.384 2.178 5 2 A 19 GLU HG2 A 19 GLU HA 1.0 1.545 2.641 6 2 A 19 GLU HG3 A 19 GLU HA 1.0 1.545 2.641 7 2 A 21 GLN HA A 21 GLN HB2 1.0 1.545 2.641 8 2 A 21 GLN HA A 21 GLN HB3 1.0 1.545 2.641 9 3 A 24 LYS HEx A 24 LYS HD2 1.0 1.553 2.665 10 3 A 25 ARG HD2 A 25 ARG HB2 1.0 1.553 2.665 11 3 A 24 LYS HD3 A 24 LYS HEx 1.0 1.553 2.665 12 3 A 25 ARG HD3 A 25 ARG HB2 1.0 1.553 2.665 13 3 A 25 ARG HB3 A 25 ARG HD3 1.0 1.553 2.665 14 3 A 25 ARG HB3 A 25 ARG HD2 1.0 1.553 2.665 15 4 A 20 LEU HG A 20 LEU HDy% 1.0 1.598 2.816 16 4 A 4 NLE HBx A 4 NLE HGy 1.0 1.598 2.816 17 5 A 9 GLY HAy A 10 CYS H 1.0 1.609 2.855 18 5 A 9 GLY HAy A 9 GLY H 1.0 1.609 2.855 19 6 A 25 ARG HB2 A 26 THR H 1.0 1.638 2.956 20 6 A 25 ARG HB3 A 26 THR H 1.0 1.638 2.956 21 6 A 22 ARG HBx A 22 ARG H 1.0 1.638 2.956 22 7 A 20 LEU HA A 21 GLN H 1.0 1.652 3.010 23 7 A 10 CYS H A 10 CYS HBx 1.0 1.652 3.010 24 8 A 10 CYS H A 9 GLY HAx 1.0 1.667 3.067 25 8 A 9 GLY H A 9 GLY HAx 1.0 1.667 3.067 26 9 A 22 ARG HBy A 23 HIS H 1.0 1.681 3.123 27 9 A 22 ARG H A 22 ARG HBy 1.0 1.681 3.123 28 10 A 28 THR H A 28 THR HA 1.0 1.709 3.241 29 10 A 27 HIS HA A 28 THR H 1.0 1.709 3.241 30 11 A 29 GLY HAx A 30 GLU H 1.0 1.736 3.358 31 11 A 29 GLY HAx A 29 GLY H 1.0 1.736 3.358 32 12 A 30 GLU H A 29 GLY HAy 1.0 1.737 3.363 33 12 A 29 GLY H A 29 GLY HAy 1.0 1.737 3.363 34 13 A 12 LYS H A 12 LYS HA 1.0 1.751 3.425 35 13 A 11 GLY HAx A 12 LYS H 1.0 1.751 3.425 36 14 A 31 LYS H A 31 LYS HA 1.0 1.777 3.553 37 14 A 30 GLU HA A 31 LYS H 1.0 1.777 3.553 38 15 A 26 THR H A 26 THR HB 1.0 1.777 3.553 39 15 A 22 ARG H A 22 ARG HA 1.0 1.777 3.553 40 16 A 13 ARG H A 12 LYS HB2 1.0 1.784 3.588 41 16 A 13 ARG H A 12 LYS HB3 1.0 1.784 3.588 42 16 A 13 ARG HGy A 13 ARG H 1.0 1.784 3.588 43 17 A 22 ARG H A 18 ASP HA 1.0 1.805 3.693 44 17 A 23 HIS H A 23 HIS HA 1.0 1.805 3.693 45 18 A 21 GLN HA A 22 ARG H 1.0 1.812 3.738 46 18 A 19 GLU HA A 23 HIS H 1.0 1.812 3.738 47 18 A 19 GLU HA A 22 ARG H 1.0 1.812 3.738 48 19 A 30 GLU H A 30 GLU HA 1.0 1.825 3.805 49 19 A 28 THR HA A 29 GLY H 1.0 1.825 3.805 50 20 A 21 GLN HB3 A 19 GLU H 1.0 1.825 3.805 51 20 A 19 GLU HG2 A 19 GLU H 1.0 1.825 3.805 52 20 A 19 GLU HG3 A 19 GLU H 1.0 1.825 3.805 53 20 A 21 GLN HB2 A 19 GLU H 1.0 1.825 3.805 54 21 A 14 PHE HZ A 23 HIS HBx 1.0 1.828 3.824 55 21 A 14 PHE HZ A 12 LYS HE2 1.0 1.828 3.824 56 21 A 12 LYS HE3 A 14 PHE HZ 1.0 1.828 3.824 57 22 A 25 ARG HB2 A 24 LYS H 1.0 1.836 3.872 58 22 A 25 ARG HB3 A 24 LYS H 1.0 1.836 3.872 59 22 A 24 LYS HD2 A 24 LYS H 1.0 1.836 3.872 60 22 A 24 LYS HD3 A 24 LYS H 1.0 1.836 3.872 61 23 A 23 HIS HD2 A 27 HIS HD2 1.0 1.850 3.956 62 23 A 14 PHE HZ A 23 HIS HD2 1.0 1.850 3.956 63 24 A 28 THR H A 27 HIS HBy 1.0 1.853 3.973 64 24 A 27 HIS HBy A 7 TRP HZ2 1.0 1.853 3.973 65 25 A 3 PHE HBx A 20 LEU HDx% 1.0 1.853 3.983 66 25 A 20 LEU HDx% A 24 LYS HEy 1.0 1.853 3.983 67 26 A 23 HIS HBx A 14 PHE HE1 1.0 1.855 3.987 68 26 A 23 HIS HBx A 14 PHE HE2 1.0 1.855 3.987 69 26 A 12 LYS HE2 A 14 PHE HE1 1.0 1.855 3.987 70 26 A 12 LYS HE2 A 14 PHE HE2 1.0 1.855 3.987 71 26 A 12 LYS HE3 A 14 PHE HE1 1.0 1.855 3.987 72 26 A 12 LYS HE3 A 14 PHE HE2 1.0 1.855 3.987 73 27 A 20 LEU HDy% A 17 SER HA 1.0 1.857 4.005 74 27 A 20 LEU HDy% A 24 LYS HEy 1.0 1.857 4.005 75 28 A 21 GLN HA A 24 LYS HD2 1.0 1.858 4.010 76 28 A 21 GLN HA A 24 LYS HD3 1.0 1.858 4.010 77 28 A 19 GLU HA A 22 ARG HBx 1.0 1.858 4.010 78 29 A 11 GLY HAy A 4 NLE HGx 1.0 1.868 4.078 79 29 A 21 GLN HA A 20 LEU HDx% 1.0 1.868 4.078 80 30 A 20 LEU HBx A 3 PHE HD2 1.0 1.873 4.107 81 30 A 20 LEU HBx A 3 PHE HD1 1.0 1.873 4.107 82 30 A 20 LEU HBx A 14 PHE HD2 1.0 1.873 4.107 83 30 A 20 LEU HBx A 14 PHE HD1 1.0 1.873 4.107 84 31 A 21 GLN HB3 A 20 LEU H 1.0 1.875 4.125 85 31 A 21 GLN HB2 A 20 LEU H 1.0 1.875 4.125 86 31 A 19 GLU HG2 A 20 LEU H 1.0 1.875 4.125 87 31 A 19 GLU HG3 A 20 LEU H 1.0 1.875 4.125 88 32 A 21 GLN HB3 A 18 ASP HBx 1.0 1.903 4.329 89 32 A 21 GLN HB2 A 18 ASP HBx 1.0 1.903 4.329 90 32 A 19 GLU HG2 A 14 PHE HBy 1.0 1.903 4.329 91 32 A 19 GLU HG3 A 14 PHE HBy 1.0 1.903 4.329 92 33 A 20 LEU HDx% A 5 CYS H 1.0 1.903 4.333 93 33 A 4 NLE HGx A 5 CYS H 1.0 1.903 4.333 94 34 A 14 PHE HD2 A 4 NLE H 1.0 1.914 4.422 95 34 A 14 PHE HD1 A 4 NLE H 1.0 1.914 4.422 96 34 A 3 PHE HD2 A 4 NLE H 1.0 1.914 4.422 97 34 A 3 PHE HD1 A 4 NLE H 1.0 1.914 4.422 98 35 A 20 LEU HDx% A 20 LEU H 1.0 1.918 4.454 99 35 A 20 LEU HDy% A 20 LEU H 1.0 1.918 4.454 100 36 A 10 CYS H A 7 TRP HBy 1.0 1.938 4.652 101 36 A 9 GLY H A 7 TRP HBy 1.0 1.938 4.652 102 37 A 21 GLN HA A 22 ARG H 1.0 1.946 4.740 103 37 A 19 GLU HA A 22 ARG H 1.0 1.946 4.740 104 38 A 14 PHE HD2 A 15 THR H 1.0 1.960 4.902 105 38 A 14 PHE HD1 A 15 THR H 1.0 1.960 4.902 106 38 A 3 PHE HD2 A 15 THR H 1.0 1.960 4.902 107 38 A 3 PHE HD1 A 15 THR H 1.0 1.960 4.902 108 39 A 10 CYS H A 7 TRP H 1.0 1.968 5.016 109 39 A 9 GLY H A 7 TRP H 1.0 1.968 5.016 110 40 A 9 GLY H A 7 TRP HD1 1.0 1.971 5.065 111 40 A 10 CYS H A 7 TRP HD1 1.0 1.971 5.065 112 41 A 10 CYS H A 6 THR HA 1.0 1.982 5.250 113 41 A 9 GLY H A 6 THR HA 1.0 1.982 5.250 114 42 A 11 GLY HAx A 11 GLY HAy 1.0 1.335 2.053 115 43 A 30 GLU HBx A 30 GLU HBy 1.0 1.351 2.091 116 44 A 9 GLY HAy A 9 GLY HAx 1.0 1.367 2.133 117 45 A 7 TRP HBy A 7 TRP HBx 1.0 1.403 2.225 118 46 A 5 CYS HBy A 5 CYS HBx 1.0 1.408 2.238 119 47 A 3 PHE HBx A 3 PHE HBy 1.0 1.440 2.328 120 48 A 14 PHE HBy A 14 PHE HBx 1.0 1.446 2.344 121 49 A 7 TRP HZ3 A 7 TRP HH2 1.0 1.448 2.348 122 50 A 17 SER HBy A 17 SER HBx 1.0 1.449 2.351 123 51 A 3 PHE HD2 A 3 PHE HE2 1.0 1.449 2.351 124 51 A 3 PHE HD2 A 3 PHE HE1 1.0 1.449 2.351 125 51 A 3 PHE HD1 A 3 PHE HE2 1.0 1.449 2.351 126 51 A 3 PHE HD1 A 3 PHE HE1 1.0 1.449 2.351 127 52 A 23 HIS HBx A 23 HIS HBy 1.0 1.457 2.373 128 53 A 20 LEU HBx A 20 LEU HBy 1.0 1.467 2.405 129 54 A 14 PHE HE2 A 14 PHE HD2 1.0 1.484 2.452 130 54 A 14 PHE HE2 A 14 PHE HD1 1.0 1.484 2.452 131 54 A 14 PHE HE1 A 14 PHE HD2 1.0 1.484 2.452 132 54 A 14 PHE HE1 A 14 PHE HD1 1.0 1.484 2.452 133 55 A 19 GLU HG2 A 19 GLU HBx 1.0 1.488 2.462 134 55 A 19 GLU HG3 A 19 GLU HBx 1.0 1.488 2.462 135 56 A 14 PHE HZ A 14 PHE HE2 1.0 1.520 2.558 136 56 A 14 PHE HZ A 14 PHE HE1 1.0 1.520 2.558 137 57 A 12 LYS HA A 13 ARG H 1.0 1.535 2.607 138 58 A 20 LEU HG A 20 LEU HDx% 1.0 1.538 2.616 139 59 A 6 THR HB A 6 THR HG2% 1.0 1.555 2.673 140 60 A 27 HIS HBy A 27 HIS HBx 1.0 1.570 2.722 141 61 A 13 ARG HA A 14 PHE H 1.0 1.575 2.735 142 62 A 26 THR HB A 26 THR HG2% 1.0 1.580 2.756 143 63 A 7 TRP HA A 8 ABA H 1.0 1.584 2.766 144 64 A 5 CYS H A 4 NLE HA 1.0 1.587 2.777 145 65 A 11 GLY HAy A 11 GLY H 1.0 1.588 2.782 146 66 A 24 LYS HA A 24 LYS HB2 1.0 1.597 2.811 147 66 A 24 LYS HB3 A 24 LYS HA 1.0 1.597 2.811 148 67 A 27 HIS HD2 A 24 LYS HA 1.0 1.598 2.816 149 68 A 4 NLE H A 3 PHE HA 1.0 1.602 2.828 150 69 A 3 PHE HD2 A 3 PHE HBy 1.0 1.605 2.841 151 69 A 3 PHE HD1 A 3 PHE HBy 1.0 1.605 2.841 152 70 A 14 PHE HD2 A 14 PHE HBy 1.0 1.607 2.847 153 70 A 14 PHE HD1 A 14 PHE HBy 1.0 1.607 2.847 154 71 A 25 ARG HB2 A 25 ARG H 1.0 1.612 2.866 155 71 A 25 ARG HB3 A 25 ARG H 1.0 1.612 2.866 156 72 A 7 TRP HZ3 A 7 TRP HE3 1.0 1.620 2.894 157 73 A 22 ARG HBx A 22 ARG HA 1.0 1.624 2.908 158 74 A 14 PHE HD2 A 14 PHE HBx 1.0 1.626 2.914 159 74 A 14 PHE HD1 A 14 PHE HBx 1.0 1.626 2.914 160 75 A 7 TRP HD1 A 7 TRP HE1 1.0 1.628 2.922 161 76 A 26 THR HG2% A 26 THR HA 1.0 1.628 2.924 162 77 A 10 CYS HBx A 11 GLY H 1.0 1.628 2.924 163 78 A 6 THR HA A 6 THR HG2% 1.0 1.629 2.927 164 79 A 13 ARG HGx A 13 ARG HD2 1.0 1.630 2.930 165 79 A 13 ARG HGx A 13 ARG HD3 1.0 1.630 2.930 166 80 A 7 TRP H A 7 TRP HBx 1.0 1.637 2.955 167 81 A 12 LYS HA A 12 LYS HGx 1.0 1.639 2.961 168 82 A 23 HIS HD2 A 5 CYS HBy 1.0 1.642 2.972 169 83 A 15 THR HB A 15 THR HG2% 1.0 1.645 2.985 170 84 A 16 ARG HGx A 16 ARG HDy 1.0 1.647 2.993 171 85 A 20 LEU HA A 20 LEU HDx% 1.0 1.649 3.001 172 86 A 1 ARG HD2 A 1 ARG HB2 1.0 1.651 3.007 173 86 A 1 ARG HD3 A 1 ARG HB2 1.0 1.651 3.007 174 86 A 1 ARG HB3 A 1 ARG HD2 1.0 1.651 3.007 175 86 A 1 ARG HB3 A 1 ARG HD3 1.0 1.651 3.007 176 87 A 20 LEU HA A 20 LEU HBy 1.0 1.651 3.009 177 88 A 3 PHE HBx A 3 PHE HD2 1.0 1.653 3.015 178 88 A 3 PHE HBx A 3 PHE HD1 1.0 1.653 3.015 179 89 A 10 CYS HA A 10 CYS HBy 1.0 1.657 3.031 180 90 A 25 ARG HD2 A 25 ARG HGy 1.0 1.657 3.031 181 90 A 25 ARG HD3 A 25 ARG HGy 1.0 1.657 3.031 182 91 A 20 LEU HBx A 20 LEU H 1.0 1.659 3.035 183 92 A 23 HIS H A 23 HIS HBx 1.0 1.660 3.040 184 93 A 12 LYS HA A 12 LYS HGy 1.0 1.661 3.049 185 94 A 28 THR HB A 28 THR HG2% 1.0 1.664 3.056 186 95 A 10 CYS H A 10 CYS HBy 1.0 1.665 3.061 187 96 A 12 LYS H A 12 LYS HB2 1.0 1.666 3.064 188 96 A 12 LYS H A 12 LYS HB3 1.0 1.666 3.064 189 97 A 20 LEU HA A 23 HIS HBx 1.0 1.666 3.064 190 98 A 22 ARG HBy A 22 ARG HA 1.0 1.667 3.067 191 99 A 21 GLN HB2 A 21 GLN H 1.0 1.671 3.083 192 99 A 21 GLN HB3 A 21 GLN H 1.0 1.671 3.083 193 100 A 19 GLU HBy A 19 GLU HA 1.0 1.674 3.096 194 101 A 7 TRP HBy A 7 TRP H 1.0 1.674 3.098 195 102 A 24 LYS H A 24 LYS HB2 1.0 1.676 3.106 196 102 A 24 LYS H A 24 LYS HB3 1.0 1.676 3.106 197 103 A 18 ASP HA A 18 ASP HBx 1.0 1.676 3.106 198 104 A 19 GLU HBy A 19 GLU H 1.0 1.677 3.107 199 105 A 18 ASP HA A 18 ASP HBy 1.0 1.678 3.112 200 106 A 25 ARG HB2 A 25 ARG HA 1.0 1.680 3.120 201 106 A 25 ARG HB3 A 25 ARG HA 1.0 1.680 3.120 202 107 A 7 TRP HBx A 7 TRP HA 1.0 1.686 3.144 203 108 A 16 ARG HGx A 16 ARG H 1.0 1.687 3.147 204 109 A 2 PRO HA A 3 PHE H 1.0 1.688 3.150 205 110 A 5 CYS HBy A 5 CYS HA 1.0 1.690 3.158 206 111 A 14 PHE HBx A 14 PHE HA 1.0 1.693 3.169 207 112 A 13 ARG HA A 13 ARG HGx 1.0 1.693 3.173 208 113 A 27 HIS HD2 A 27 HIS HBx 1.0 1.697 3.189 209 114 A 26 THR H A 26 THR HG2% 1.0 1.697 3.189 210 115 A 27 HIS HBx A 27 HIS H 1.0 1.698 3.194 211 116 A 22 ARG HBy A 22 ARG HDx 1.0 1.698 3.196 212 117 A 21 GLN HB2 A 18 ASP HA 1.0 1.700 3.198 213 117 A 21 GLN HB3 A 18 ASP HA 1.0 1.700 3.198 214 118 A 25 ARG H A 25 ARG HGy 1.0 1.701 3.205 215 119 A 2 PRO HGx A 2 PRO HBx 1.0 1.703 3.217 216 120 A 25 ARG HA A 25 ARG HGx 1.0 1.704 3.220 217 121 A 20 LEU H A 20 LEU HBy 1.0 1.705 3.221 218 122 A 11 GLY HAx A 11 GLY H 1.0 1.705 3.221 219 123 A 16 ARG HGx A 16 ARG HA 1.0 1.706 3.224 220 124 A 2 PRO HA A 2 PRO HBx 1.0 1.706 3.224 221 125 A 28 THR HA A 28 THR HG2% 1.0 1.706 3.224 222 126 A 5 CYS H A 5 CYS HBx 1.0 1.706 3.226 223 127 A 20 LEU HDx% A 5 CYS HA 1.0 1.707 3.229 224 128 A 14 PHE HD2 A 14 PHE H 1.0 1.708 3.236 225 128 A 14 PHE HD1 A 14 PHE H 1.0 1.708 3.236 226 129 A 27 HIS HE1 A 10 CYS HBy 1.0 1.709 3.241 227 130 A 17 SER HA A 17 SER HBx 1.0 1.712 3.252 228 131 A 7 TRP HBx A 7 TRP HE3 1.0 1.713 3.259 229 132 A 17 SER HA A 20 LEU HBx 1.0 1.718 3.278 230 133 A 10 CYS HBx A 10 CYS HA 1.0 1.718 3.278 231 134 A 20 LEU HDx% A 14 PHE HD1 1.0 1.722 3.294 232 134 A 20 LEU HDx% A 14 PHE HD2 1.0 1.722 3.294 233 135 A 14 PHE HD2 A 14 PHE HA 1.0 1.722 3.294 234 135 A 14 PHE HD1 A 14 PHE HA 1.0 1.722 3.294 235 136 A 26 THR H A 27 HIS H 1.0 1.723 3.299 236 137 A 4 NLE HBx A 4 NLE HA 1.0 1.724 3.304 237 138 A 14 PHE HBy A 3 PHE HBy 1.0 1.726 3.310 238 139 A 20 LEU HDy% A 3 PHE HBx 1.0 1.726 3.316 239 140 A 14 PHE HE2 A 5 CYS HBy 1.0 1.727 3.319 240 140 A 14 PHE HE1 A 5 CYS HBy 1.0 1.727 3.319 241 141 A 3 PHE HD2 A 3 PHE HA 1.0 1.727 3.319 242 141 A 3 PHE HD1 A 3 PHE HA 1.0 1.727 3.319 243 142 A 12 LYS HA A 12 LYS HB2 1.0 1.728 3.322 244 142 A 12 LYS HA A 12 LYS HB3 1.0 1.728 3.322 245 143 A 23 HIS HBx A 23 HIS HD2 1.0 1.730 3.330 246 144 A 19 GLU HG2 A 14 PHE HD2 1.0 1.731 3.333 247 144 A 19 GLU HG2 A 14 PHE HD1 1.0 1.731 3.333 248 144 A 19 GLU HG3 A 14 PHE HD2 1.0 1.731 3.333 249 144 A 19 GLU HG3 A 14 PHE HD1 1.0 1.731 3.333 250 145 A 2 PRO HA A 2 PRO HBy 1.0 1.732 3.336 251 146 A 19 GLU HBy A 14 PHE HBx 1.0 1.732 3.336 252 147 A 16 ARG HGx A 16 ARG HDx 1.0 1.732 3.336 253 148 A 17 SER HA A 17 SER HBy 1.0 1.732 3.340 254 149 A 26 THR H A 25 ARG H 1.0 1.732 3.342 255 150 A 20 LEU HDx% A 5 CYS HBy 1.0 1.737 3.361 256 151 A 20 LEU HDy% A 20 LEU HBx 1.0 1.737 3.361 257 152 A 24 LYS HD2 A 24 LYS HA 1.0 1.738 3.366 258 152 A 24 LYS HD3 A 24 LYS HA 1.0 1.738 3.366 259 153 A 19 GLU HA A 22 ARG HBy 1.0 1.739 3.373 260 154 A 23 HIS H A 23 HIS HBy 1.0 1.739 3.373 261 155 A 12 LYS HA A 12 LYS HD2 1.0 1.740 3.376 262 155 A 12 LYS HA A 12 LYS HD3 1.0 1.740 3.376 263 156 A 20 LEU HDx% A 20 LEU HBy 1.0 1.741 3.379 264 157 A 20 LEU HG A 20 LEU HBx 1.0 1.742 3.382 265 158 A 21 GLN HA A 24 LYS HB2 1.0 1.743 3.389 266 158 A 21 GLN HA A 24 LYS HB3 1.0 1.743 3.389 267 159 A 2 PRO HDx A 1 ARG HA 1.0 1.744 3.392 268 160 A 7 TRP HBy A 7 TRP HA 1.0 1.744 3.392 269 161 A 15 THR HG2% A 15 THR HA 1.0 1.744 3.396 270 162 A 25 ARG HD2 A 25 ARG HGx 1.0 1.745 3.399 271 162 A 25 ARG HD3 A 25 ARG HGx 1.0 1.745 3.399 272 163 A 20 LEU HDx% A 14 PHE HE2 1.0 1.745 3.399 273 163 A 20 LEU HDx% A 14 PHE HE1 1.0 1.745 3.399 274 164 A 3 PHE HBx A 3 PHE HA 1.0 1.745 3.399 275 165 A 23 HIS HD2 A 20 LEU HDx% 1.0 1.745 3.399 276 166 A 13 ARG H A 13 ARG HB2 1.0 1.746 3.402 277 166 A 13 ARG H A 13 ARG HB3 1.0 1.746 3.402 278 167 A 5 CYS H A 5 CYS HBy 1.0 1.747 3.409 279 168 A 3 PHE HBx A 20 LEU HBy 1.0 1.749 3.415 280 169 A 12 LYS HB2 A 23 HIS HE1 1.0 1.749 3.419 281 169 A 12 LYS HB3 A 23 HIS HE1 1.0 1.749 3.419 282 170 A 23 HIS HA A 23 HIS HBy 1.0 1.750 3.422 283 171 A 16 ARG HA A 16 ARG HB2 1.0 1.752 3.430 284 171 A 16 ARG HA A 16 ARG HB3 1.0 1.752 3.430 285 172 A 12 LYS HB2 A 14 PHE HE2 1.0 1.753 3.433 286 172 A 12 LYS HB3 A 14 PHE HE2 1.0 1.753 3.433 287 172 A 12 LYS HB3 A 14 PHE HE1 1.0 1.753 3.433 288 172 A 12 LYS HB2 A 14 PHE HE1 1.0 1.753 3.433 289 173 A 10 CYS H A 10 CYS HA 1.0 1.753 3.437 290 174 A 25 ARG H A 25 ARG HA 1.0 1.754 3.440 291 175 A 2 PRO HGx A 2 PRO HDx 1.0 1.754 3.440 292 176 A 14 PHE HZ A 23 HIS HBy 1.0 1.755 3.443 293 177 A 14 PHE HBx A 16 ARG H 1.0 1.755 3.447 294 178 A 21 GLN HA A 21 GLN HG2 1.0 1.756 3.450 295 178 A 21 GLN HA A 21 GLN HG3 1.0 1.756 3.450 296 179 A 20 LEU HA A 20 LEU HBx 1.0 1.756 3.450 297 180 A 21 GLN HB2 A 22 ARG H 1.0 1.757 3.455 298 180 A 21 GLN HB3 A 22 ARG H 1.0 1.757 3.455 299 181 A 14 PHE HBy A 14 PHE H 1.0 1.757 3.455 300 182 A 14 PHE HE2 A 12 LYS HGy 1.0 1.757 3.455 301 182 A 14 PHE HE1 A 12 LYS HGy 1.0 1.757 3.455 302 183 A 21 GLN HA A 21 GLN H 1.0 1.762 3.476 303 184 A 20 LEU HDx% A 20 LEU HBx 1.0 1.762 3.476 304 185 A 7 TRP HBy A 7 TRP HD1 1.0 1.762 3.480 305 186 A 19 GLU H A 19 GLU HBx 1.0 1.762 3.480 306 187 A 19 GLU HA A 19 GLU H 1.0 1.764 3.484 307 188 A 23 HIS H A 24 LYS H 1.0 1.764 3.484 308 189 A 22 ARG HA A 22 ARG HG2 1.0 1.764 3.492 309 189 A 22 ARG HA A 22 ARG HG3 1.0 1.764 3.492 310 190 A 23 HIS HA A 26 THR HG2% 1.0 1.764 3.492 311 191 A 7 TRP H A 7 TRP HA 1.0 1.766 3.496 312 192 A 23 HIS HBx A 24 LYS H 1.0 1.768 3.508 313 193 A 21 GLN H A 20 LEU H 1.0 1.769 3.511 314 194 A 26 THR H A 26 THR HA 1.0 1.769 3.511 315 195 A 28 THR H A 27 HIS H 1.0 1.770 3.516 316 196 A 27 HIS HA A 27 HIS H 1.0 1.770 3.520 317 197 A 11 GLY H A 10 CYS HBy 1.0 1.770 3.520 318 198 A 5 CYS HBx A 5 CYS HA 1.0 1.772 3.528 319 199 A 24 LYS H A 25 ARG H 1.0 1.774 3.532 320 200 A 14 PHE HD2 A 20 LEU HBy 1.0 1.774 3.532 321 200 A 14 PHE HD1 A 20 LEU HBy 1.0 1.774 3.532 322 201 A 24 LYS H A 24 LYS HA 1.0 1.774 3.532 323 202 A 22 ARG H A 22 ARG HA 1.0 1.774 3.536 324 203 A 27 HIS HA A 27 HIS HBy 1.0 1.775 3.545 325 204 A 20 LEU HDy% A 3 PHE HD2 1.0 1.777 3.553 326 204 A 20 LEU HDy% A 3 PHE HD1 1.0 1.777 3.553 327 205 A 13 ARG H A 13 ARG HGx 1.0 1.777 3.553 328 206 A 20 LEU HDx% A 24 LYS HG3 1.0 1.778 3.558 329 206 A 20 LEU HDx% A 24 LYS HG2 1.0 1.778 3.558 330 207 A 19 GLU HA A 19 GLU HBx 1.0 1.778 3.558 331 208 A 14 PHE H A 13 ARG HGx 1.0 1.779 3.561 332 209 A 21 GLN H A 20 LEU HBx 1.0 1.781 3.571 333 210 A 16 ARG HA A 17 SER H 1.0 1.782 3.580 334 211 A 20 LEU HA A 20 LEU H 1.0 1.782 3.580 335 212 A 4 NLE HA A 4 NLE HBy 1.0 1.782 3.580 336 213 A 7 TRP HZ2 A 7 TRP HE1 1.0 1.784 3.584 337 214 A 13 ARG HA A 13 ARG HB2 1.0 1.784 3.588 338 214 A 13 ARG HA A 13 ARG HB3 1.0 1.784 3.588 339 215 A 13 ARG H A 12 LYS HGy 1.0 1.785 3.593 340 216 A 3 PHE HBy A 3 PHE H 1.0 1.786 3.598 341 217 A 14 PHE HBy A 14 PHE HA 1.0 1.787 3.603 342 218 A 23 HIS HA A 23 HIS HBx 1.0 1.788 3.608 343 219 A 7 TRP HBy A 10 CYS HBy 1.0 1.788 3.612 344 220 A 2 PRO HBy A 2 PRO HDy 1.0 1.791 3.621 345 221 A 2 PRO HDy A 2 PRO HGy 1.0 1.791 3.621 346 222 A 23 HIS HD2 A 14 PHE HE2 1.0 1.792 3.626 347 222 A 23 HIS HD2 A 14 PHE HE1 1.0 1.792 3.626 348 223 A 31 LYS HA A 31 LYS HBy 1.0 1.794 3.636 349 224 A 21 GLN H A 21 GLN HG2 1.0 1.794 3.636 350 224 A 21 GLN H A 21 GLN HG3 1.0 1.794 3.636 351 225 A 15 THR H A 14 PHE HA 1.0 1.794 3.636 352 226 A 22 ARG H A 21 GLN H 1.0 1.794 3.636 353 227 A 14 PHE HZ A 12 LYS HGy 1.0 1.795 3.641 354 228 A 3 PHE HBy A 20 LEU HBy 1.0 1.795 3.641 355 229 A 19 GLU HBy A 14 PHE HD2 1.0 1.796 3.646 356 229 A 19 GLU HBy A 14 PHE HD1 1.0 1.796 3.646 357 230 A 4 NLE HBx A 4 NLE H 1.0 1.796 3.646 358 231 A 14 PHE HD2 A 13 ARG HA 1.0 1.796 3.646 359 231 A 14 PHE HD1 A 13 ARG HA 1.0 1.796 3.646 360 232 A 25 ARG H A 25 ARG HGx 1.0 1.796 3.646 361 233 A 10 CYS H A 11 GLY H 1.0 1.797 3.651 362 234 A 12 LYS HB2 A 14 PHE HZ 1.0 1.798 3.656 363 234 A 12 LYS HB3 A 14 PHE HZ 1.0 1.798 3.656 364 235 A 4 NLE H A 4 NLE HBy 1.0 1.802 3.682 365 236 A 10 CYS HBx A 7 TRP HBy 1.0 1.803 3.687 366 237 A 20 LEU HA A 23 HIS HBy 1.0 1.805 3.699 367 238 A 23 HIS HD2 A 24 LYS HA 1.0 1.806 3.704 368 239 A 1 ARG HB2 A 1 ARG HA 1.0 1.806 3.704 369 239 A 1 ARG HB3 A 1 ARG HA 1.0 1.806 3.704 370 240 A 7 TRP HA A 7 TRP HE3 1.0 1.809 3.715 371 241 A 3 PHE HD2 A 3 PHE H 1.0 1.810 3.726 372 241 A 3 PHE HD1 A 3 PHE H 1.0 1.810 3.726 373 242 A 16 ARG H A 16 ARG HA 1.0 1.813 3.743 374 243 A 3 PHE HBy A 3 PHE HA 1.0 1.815 3.749 375 244 A 24 LYS HB2 A 25 ARG H 1.0 1.815 3.755 376 244 A 24 LYS HB3 A 25 ARG H 1.0 1.815 3.755 377 245 A 23 HIS HD2 A 5 CYS HBx 1.0 1.815 3.755 378 246 A 28 THR H A 28 THR HG2% 1.0 1.815 3.755 379 247 A 7 TRP HBy A 7 TRP HE3 1.0 1.818 3.768 380 248 A 14 PHE HBy A 20 LEU HBy 1.0 1.819 3.773 381 249 A 17 SER HA A 3 PHE HE2 1.0 1.819 3.773 382 249 A 17 SER HA A 3 PHE HE1 1.0 1.819 3.773 383 250 A 7 TRP HD1 A 10 CYS HBy 1.0 1.819 3.773 384 251 A 20 LEU HG A 20 LEU HA 1.0 1.821 3.785 385 252 A 22 ARG HDx A 22 ARG HG2 1.0 1.822 3.792 386 252 A 22 ARG HDx A 22 ARG HG3 1.0 1.822 3.792 387 253 A 12 LYS H A 5 CYS HBx 1.0 1.823 3.799 388 254 A 1 ARG HA A 2 PRO HDy 1.0 1.823 3.799 389 255 A 20 LEU HDy% A 4 NLE H 1.0 1.825 3.805 390 256 A 25 ARG HD2 A 22 ARG HA 1.0 1.826 3.818 391 256 A 25 ARG HD3 A 22 ARG HA 1.0 1.826 3.818 392 257 A 12 LYS H A 11 GLY H 1.0 1.828 3.824 393 258 A 13 ARG H A 13 ARG HA 1.0 1.829 3.831 394 259 A 23 HIS H A 23 HIS HA 1.0 1.829 3.831 395 260 A 27 HIS HD2 A 27 HIS HBy 1.0 1.831 3.845 396 261 A 12 LYS H A 12 LYS HD2 1.0 1.832 3.852 397 261 A 12 LYS H A 12 LYS HD3 1.0 1.832 3.852 398 262 A 1 ARG HB2 A 2 PRO HDy 1.0 1.832 3.852 399 262 A 1 ARG HB3 A 2 PRO HDy 1.0 1.832 3.852 400 263 A 19 GLU HBy A 20 LEU H 1.0 1.835 3.865 401 264 A 24 LYS H A 24 LYS HG2 1.0 1.835 3.865 402 264 A 24 LYS H A 24 LYS HG3 1.0 1.835 3.865 403 265 A 28 THR H A 27 HIS HBx 1.0 1.836 3.872 404 266 A 27 HIS HBy A 27 HIS H 1.0 1.838 3.880 405 267 A 11 GLY HAy A 4 NLE HE% 1.0 1.838 3.880 406 268 A 2 PRO HGx A 2 PRO HDy 1.0 1.838 3.880 407 269 A 14 PHE HZ A 12 LYS HD2 1.0 1.838 3.880 408 269 A 14 PHE HZ A 12 LYS HD3 1.0 1.838 3.880 409 270 A 19 GLU HBy A 16 ARG H 1.0 1.839 3.887 410 271 A 2 PRO HDx A 2 PRO HGy 1.0 1.839 3.887 411 272 A 27 HIS HD2 A 7 TRP HBx 1.0 1.839 3.887 412 273 A 20 LEU HDy% A 3 PHE HBy 1.0 1.840 3.902 413 274 A 19 GLU HG2 A 14 PHE HBx 1.0 1.840 3.902 414 274 A 19 GLU HG3 A 14 PHE HBx 1.0 1.840 3.902 415 275 A 10 CYS HBx A 27 HIS HE1 1.0 1.842 3.910 416 276 A 30 GLU H A 30 GLU HBy 1.0 1.843 3.917 417 277 A 12 LYS HD2 A 23 HIS HE1 1.0 1.843 3.917 418 277 A 12 LYS HD3 A 23 HIS HE1 1.0 1.843 3.917 419 278 A 14 PHE HBy A 16 ARG H 1.0 1.846 3.932 420 279 A 13 ARG HD2 A 13 ARG HE 1.0 1.847 3.941 421 279 A 13 ARG HD3 A 13 ARG HE 1.0 1.847 3.941 422 280 A 3 PHE H A 2 PRO HBx 1.0 1.848 3.948 423 281 A 3 PHE HD2 A 16 ARG H 1.0 1.848 3.948 424 281 A 3 PHE HD1 A 16 ARG H 1.0 1.848 3.948 425 282 A 13 ARG HGy A 13 ARG HA 1.0 1.851 3.965 426 283 A 5 CYS H A 5 CYS HA 1.0 1.853 3.973 427 284 A 19 GLU HBy A 14 PHE HBy 1.0 1.853 3.973 428 285 A 12 LYS H A 12 LYS HGx 1.0 1.855 3.989 429 286 A 11 GLY H A 10 CYS HA 1.0 1.855 3.993 430 287 A 14 PHE HE2 A 5 CYS HBx 1.0 1.858 4.008 431 287 A 14 PHE HE1 A 5 CYS HBx 1.0 1.858 4.008 432 288 A 3 PHE HD2 A 15 THR HA 1.0 1.858 4.012 433 288 A 3 PHE HD1 A 15 THR HA 1.0 1.858 4.012 434 289 A 3 PHE HBy A 14 PHE H 1.0 1.859 4.017 435 290 A 24 LYS HA A 24 LYS HG2 1.0 1.860 4.020 436 290 A 24 LYS HA A 24 LYS HG3 1.0 1.860 4.020 437 291 A 31 LYS H A 31 LYS HBy 1.0 1.860 4.024 438 292 A 26 THR HA A 27 HIS H 1.0 1.862 4.032 439 293 A 3 PHE HA A 3 PHE H 1.0 1.861 4.033 440 294 A 21 GLN HA A 24 LYS H 1.0 1.863 4.039 441 295 A 4 NLE HA A 13 ARG HGx 1.0 1.864 4.048 442 296 A 7 TRP H A 6 THR HA 1.0 1.864 4.050 443 297 A 18 ASP HA A 19 GLU H 1.0 1.867 4.071 444 298 A 11 GLY HAx A 4 NLE HE% 1.0 1.868 4.074 445 299 A 4 NLE HGy A 4 NLE HA 1.0 1.868 4.078 446 300 A 15 THR HB A 16 ARG H 1.0 1.869 4.085 447 301 A 20 LEU HA A 14 PHE HE2 1.0 1.869 4.085 448 301 A 20 LEU HA A 14 PHE HE1 1.0 1.869 4.085 449 302 A 4 NLE HGx A 4 NLE HA 1.0 1.869 4.087 450 303 A 21 GLN H A 18 ASP HA 1.0 1.869 4.087 451 304 A 28 THR H A 29 GLY H 1.0 1.870 4.088 452 305 A 10 CYS HBx A 7 TRP H 1.0 1.870 4.094 453 306 A 21 GLN HA A 24 LYS HG2 1.0 1.871 4.101 454 306 A 21 GLN HA A 24 LYS HG3 1.0 1.871 4.101 455 307 A 3 PHE HBx A 14 PHE HBy 1.0 1.872 4.102 456 308 A 21 GLN HA A 20 LEU HG 1.0 1.873 4.111 457 309 A 14 PHE H A 14 PHE HA 1.0 1.873 4.111 458 310 A 14 PHE HBx A 14 PHE H 1.0 1.873 4.111 459 311 A 7 TRP HD1 A 7 TRP HBx 1.0 1.875 4.123 460 312 A 3 PHE HD2 A 16 ARG HA 1.0 1.875 4.125 461 312 A 3 PHE HD1 A 16 ARG HA 1.0 1.875 4.125 462 313 A 20 LEU HDx% A 5 CYS HBx 1.0 1.877 4.133 463 314 A 20 LEU HA A 23 HIS H 1.0 1.877 4.133 464 315 A 27 HIS HD2 A 7 TRP HBy 1.0 1.877 4.139 465 316 A 23 HIS HBx A 20 LEU HDx% 1.0 1.877 4.139 466 317 A 30 GLU HBx A 30 GLU H 1.0 1.878 4.146 467 318 A 7 TRP HZ3 A 28 THR HG2% 1.0 1.879 4.151 468 319 A 26 THR H A 25 ARG HA 1.0 1.879 4.151 469 320 A 19 GLU H A 20 LEU H 1.0 1.880 4.156 470 321 A 10 CYS HBx A 7 TRP HD1 1.0 1.881 4.169 471 322 A 25 ARG HD2 A 25 ARG HA 1.0 1.882 4.176 472 322 A 25 ARG HD3 A 25 ARG HA 1.0 1.882 4.176 473 323 A 30 GLU HA A 30 GLU HBy 1.0 1.882 4.176 474 324 A 5 CYS H A 13 ARG HA 1.0 1.883 4.177 475 325 A 5 CYS HBx A 11 GLY H 1.0 1.884 4.184 476 326 A 28 THR H A 25 ARG HA 1.0 1.884 4.186 477 327 A 18 ASP HA A 18 ASP H 1.0 1.884 4.190 478 328 A 20 LEU H A 19 GLU HBx 1.0 1.887 4.211 479 329 A 17 SER HA A 20 LEU H 1.0 1.888 4.222 480 330 A 4 NLE HGy A 5 CYS H 1.0 1.888 4.222 481 331 A 23 HIS HA A 24 LYS H 1.0 1.889 4.229 482 332 A 15 THR H A 16 ARG H 1.0 1.890 4.234 483 333 A 7 TRP HD1 A 27 HIS HE1 1.0 1.891 4.243 484 334 A 17 SER HBx A 3 PHE HE2 1.0 1.892 4.244 485 334 A 17 SER HBx A 3 PHE HE1 1.0 1.892 4.244 486 335 A 3 PHE HBy A 14 PHE HBx 1.0 1.892 4.252 487 336 A 20 LEU HDy% A 3 PHE HA 1.0 1.893 4.253 488 337 A 14 PHE HZ A 14 PHE HD2 1.0 1.893 4.255 489 337 A 14 PHE HZ A 14 PHE HD1 1.0 1.893 4.255 490 338 A 21 GLN H A 20 LEU HBy 1.0 1.893 4.255 491 339 A 14 PHE H A 4 NLE HA 1.0 1.892 4.256 492 340 A 14 PHE HBx A 15 THR HA 1.0 1.892 4.256 493 341 A 16 ARG H A 15 THR HA 1.0 1.893 4.257 494 342 A 6 THR HA A 11 GLY H 1.0 1.894 4.262 495 343 A 28 THR H A 28 THR HB 1.0 1.894 4.264 496 344 A 18 ASP HBx A 18 ASP H 1.0 1.894 4.264 497 345 A 18 ASP HA A 21 GLN HG2 1.0 1.894 4.264 498 345 A 18 ASP HA A 21 GLN HG3 1.0 1.894 4.264 499 346 A 19 GLU H A 16 ARG HB2 1.0 1.895 4.271 500 346 A 19 GLU H A 16 ARG HB3 1.0 1.895 4.271 501 347 A 15 THR H A 15 THR HA 1.0 1.895 4.275 502 348 A 4 NLE HGy A 11 GLY HAy 1.0 1.896 4.284 503 349 A 24 LYS HA A 27 HIS H 1.0 1.897 4.287 504 350 A 3 PHE HBx A 4 NLE H 1.0 1.897 4.289 505 351 A 3 PHE HBx A 3 PHE H 1.0 1.899 4.297 506 352 A 19 GLU HBx A 16 ARG H 1.0 1.899 4.297 507 353 A 16 ARG HDy A 16 ARG HB2 1.0 1.899 4.301 508 353 A 16 ARG HDy A 16 ARG HB3 1.0 1.899 4.301 509 354 A 17 SER HA A 17 SER H 1.0 1.899 4.303 510 355 A 19 GLU HA A 20 LEU H 1.0 1.903 4.329 511 356 A 16 ARG HDx A 16 ARG HB2 1.0 1.903 4.329 512 356 A 16 ARG HDx A 16 ARG HB3 1.0 1.903 4.329 513 357 A 17 SER HBy A 3 PHE HE2 1.0 1.904 4.350 514 357 A 17 SER HBy A 3 PHE HE1 1.0 1.904 4.350 515 358 A 24 LYS H A 23 HIS HBy 1.0 1.906 4.358 516 359 A 15 THR H A 14 PHE HBx 1.0 1.907 4.367 517 360 A 20 LEU H A 14 PHE HBy 1.0 1.907 4.373 518 361 A 15 THR HB A 16 ARG HGx 1.0 1.908 4.378 519 362 A 1 ARG HB2 A 2 PRO HDx 1.0 1.909 4.383 520 362 A 1 ARG HB3 A 2 PRO HDx 1.0 1.909 4.383 521 363 A 17 SER HBy A 17 SER H 1.0 1.910 4.398 522 364 A 19 GLU H A 18 ASP HBy 1.0 1.910 4.398 523 365 A 25 ARG HA A 27 HIS H 1.0 1.911 4.401 524 366 A 23 HIS HD2 A 23 HIS HBy 1.0 1.911 4.405 525 367 A 14 PHE HE2 A 23 HIS HBy 1.0 1.913 4.419 526 367 A 14 PHE HE1 A 23 HIS HBy 1.0 1.913 4.419 527 368 A 7 TRP HH2 A 28 THR HG2% 1.0 1.914 4.426 528 369 A 26 THR HB A 27 HIS H 1.0 1.916 4.442 529 370 A 24 LYS HD2 A 27 HIS HD2 1.0 1.918 4.466 530 370 A 24 LYS HD3 A 27 HIS HD2 1.0 1.918 4.466 531 371 A 3 PHE H A 2 PRO HBy 1.0 1.920 4.472 532 372 A 19 GLU H A 18 ASP HBx 1.0 1.920 4.472 533 373 A 30 GLU HG2 A 30 GLU H 1.0 1.920 4.478 534 373 A 30 GLU HG3 A 30 GLU H 1.0 1.920 4.478 535 374 A 27 HIS HD2 A 24 LYS HB2 1.0 1.921 4.485 536 374 A 27 HIS HD2 A 24 LYS HB3 1.0 1.921 4.485 537 375 A 10 CYS HBx A 7 TRP HBx 1.0 1.922 4.500 538 376 A 14 PHE HZ A 23 HIS HE1 1.0 1.922 4.504 539 377 A 14 PHE HD2 A 4 NLE HA 1.0 1.923 4.507 540 377 A 14 PHE HD1 A 4 NLE HA 1.0 1.923 4.507 541 378 A 4 NLE H A 4 NLE HA 1.0 1.923 4.511 542 379 A 20 LEU HA A 23 HIS HD2 1.0 1.924 4.516 543 380 A 28 THR HG2% A 25 ARG HA 1.0 1.924 4.520 544 381 A 24 LYS H A 20 LEU HDx% 1.0 1.925 4.527 545 382 A 7 TRP HBy A 27 HIS HE1 1.0 1.926 4.530 546 383 A 16 ARG HB2 A 18 ASP H 1.0 1.927 4.545 547 383 A 16 ARG HB3 A 18 ASP H 1.0 1.927 4.545 548 384 A 16 ARG H A 16 ARG HGy 1.0 1.927 4.549 549 385 A 7 TRP HD1 A 7 TRP HA 1.0 1.927 4.549 550 386 A 3 PHE HE2 A 17 SER H 1.0 1.928 4.558 551 386 A 3 PHE HE1 A 17 SER H 1.0 1.928 4.558 552 387 A 17 SER HBx A 17 SER H 1.0 1.928 4.558 553 388 A 14 PHE HE2 A 14 PHE HBx 1.0 1.930 4.572 554 388 A 14 PHE HE1 A 14 PHE HBx 1.0 1.930 4.572 555 389 A 26 THR H A 24 LYS HA 1.0 1.930 4.574 556 390 A 7 TRP H A 10 CYS HBy 1.0 1.933 4.599 557 391 A 12 LYS HGx A 23 HIS HE1 1.0 1.933 4.599 558 392 A 15 THR HG2% A 16 ARG H 1.0 1.933 4.601 559 393 A 12 LYS HE2 A 23 HIS HE1 1.0 1.933 4.607 560 393 A 12 LYS HE3 A 23 HIS HE1 1.0 1.933 4.607 561 394 A 2 PRO HBx A 2 PRO HDx 1.0 1.935 4.617 562 395 A 15 THR H A 15 THR HG2% 1.0 1.935 4.617 563 396 A 24 LYS HA A 25 ARG H 1.0 1.935 4.625 564 397 A 22 ARG HA A 25 ARG H 1.0 1.935 4.629 565 398 A 14 PHE H A 3 PHE H 1.0 1.935 4.631 566 399 A 4 NLE HBx A 5 CYS H 1.0 1.938 4.654 567 400 A 25 ARG HD2 A 25 ARG H 1.0 1.940 4.672 568 400 A 25 ARG HD3 A 25 ARG H 1.0 1.940 4.672 569 401 A 20 LEU HG A 21 GLN H 1.0 1.941 4.683 570 402 A 20 LEU H A 14 PHE HBx 1.0 1.942 4.694 571 403 A 3 PHE HD2 A 2 PRO HA 1.0 1.942 4.696 572 403 A 3 PHE HD1 A 2 PRO HA 1.0 1.942 4.696 573 404 A 16 ARG HA A 16 ARG HGy 1.0 1.942 4.698 574 405 A 26 THR HG2% A 23 HIS HE1 1.0 1.943 4.705 575 406 A 27 HIS HD2 A 24 LYS HG2 1.0 1.944 4.716 576 406 A 27 HIS HD2 A 24 LYS HG3 1.0 1.944 4.716 577 407 A 17 SER HA A 16 ARG HA 1.0 1.945 4.721 578 408 A 14 PHE HD2 A 5 CYS H 1.0 1.945 4.725 579 408 A 14 PHE HD1 A 5 CYS H 1.0 1.945 4.725 580 409 A 23 HIS HD2 A 5 CYS HA 1.0 1.946 4.732 581 410 A 20 LEU HA A 24 LYS H 1.0 1.945 4.735 582 411 A 5 CYS H A 4 NLE HBy 1.0 1.946 4.742 583 412 A 14 PHE HE2 A 5 CYS H 1.0 1.947 4.753 584 412 A 14 PHE HE1 A 5 CYS H 1.0 1.947 4.753 585 413 A 12 LYS HB2 A 5 CYS HBx 1.0 1.949 4.765 586 413 A 12 LYS HB3 A 5 CYS HBx 1.0 1.949 4.765 587 414 A 7 TRP HBx A 8 ABA H 1.0 1.949 4.777 588 415 A 27 HIS HBx A 24 LYS HA 1.0 1.950 4.782 589 416 A 3 PHE HE2 A 15 THR HA 1.0 1.952 4.814 590 416 A 3 PHE HE1 A 15 THR HA 1.0 1.952 4.814 591 417 A 27 HIS HD2 A 27 HIS H 1.0 1.953 4.817 592 418 A 7 TRP H A 5 CYS HA 1.0 1.954 4.832 593 419 A 7 TRP H A 7 TRP HE3 1.0 1.955 4.845 594 420 A 16 ARG HB2 A 17 SER H 1.0 1.957 4.875 595 420 A 16 ARG HB3 A 17 SER H 1.0 1.957 4.875 596 421 A 12 LYS H A 5 CYS HBy 1.0 1.958 4.882 597 422 A 21 GLN H A 17 SER HA 1.0 1.958 4.888 598 423 A 27 HIS HE1 A 10 CYS HA 1.0 1.961 4.923 599 424 A 18 ASP HBy A 18 ASP H 1.0 1.963 4.943 600 425 A 7 TRP H A 8 ABA H 1.0 1.963 4.951 601 426 A 23 HIS HD2 A 23 HIS HE1 1.0 1.964 4.966 602 427 A 27 HIS HBy A 7 TRP HE3 1.0 1.965 4.985 603 428 A 7 TRP H A 7 TRP HD1 1.0 1.966 4.992 604 429 A 17 SER HBy A 18 ASP H 1.0 1.966 4.992 605 430 A 14 PHE HBy A 15 THR H 1.0 1.966 4.994 606 431 A 27 HIS HBy A 7 TRP HE1 1.0 1.967 5.001 607 432 A 7 TRP HBy A 8 ABA H 1.0 1.967 5.003 608 433 A 12 LYS HGy A 23 HIS HE1 1.0 1.969 5.029 609 434 A 20 LEU HA A 21 GLN H 1.0 1.974 5.108 610 435 A 27 HIS HE1 A 7 TRP HBx 1.0 1.974 5.114 611 436 A 12 LYS H A 5 CYS H 1.0 1.974 5.118 612 437 A 27 HIS HD2 A 27 HIS HE1 1.0 1.974 5.122 613 438 A 27 HIS HD2 A 7 TRP HE3 1.0 1.975 5.125 614 439 A 3 PHE HD2 A 17 SER HBy 1.0 1.978 5.174 615 439 A 3 PHE HD1 A 17 SER HBy 1.0 1.978 5.174 616 440 A 7 TRP HD1 A 8 ABA H 1.0 1.981 5.229 617 441 A 12 LYS HB2 A 5 CYS H 1.0 1.981 5.241 618 441 A 12 LYS HB3 A 5 CYS H 1.0 1.981 5.241 619 442 A 8 ABA H A 7 TRP HE3 1.0 1.984 5.300 620 443 A 23 HIS HD2 A 5 CYS H 1.0 1.986 5.332 621 444 A 7 TRP H A 5 CYS HBx 1.0 1.995 5.603 622 445 A 7 TRP HZ3 A 7 TRP HE1 1.0 1.998 5.732 623 446 A 21 GLN H A 19 GLU H 1.0 1.999 5.855 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 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 3 PHE H A 14 PHE O 1.0 1.8 2.0 2 2 A 14 PHE O A 3 PHE N 1.0 2.7 3.1 3 3 A 14 PHE H A 3 PHE O 1.0 1.8 2.0 4 4 A 3 PHE O A 14 PHE N 1.0 2.7 3.1 5 5 A 5 CYS H A 12 LYS O 1.0 1.8 2.0 6 6 A 12 LYS O A 5 CYS N 1.0 2.7 3.1 7 7 A 11 GLY H A 5 CYS O 1.0 1.8 2.0 8 8 A 5 CYS O A 11 GLY N 1.0 2.7 3.1 9 9 A 5 CYS H A 12 LYS O 1.0 1.8 2.0 10 10 A 12 LYS O A 5 CYS N 1.0 2.7 3.1 11 11 A 20 LEU H A 16 ARG O 1.0 1.8 2.0 12 12 A 16 ARG O A 20 LEU N 1.0 2.7 3.1 13 13 A 21 GLN H A 17 SER O 1.0 1.8 2.0 14 14 A 17 SER O A 21 GLN N 1.0 2.7 3.1 15 15 A 22 ARG H A 18 ASP O 1.0 1.8 2.0 16 16 A 18 ASP O A 22 ARG N 1.0 2.7 3.1 17 17 A 23 HIS H A 19 GLU O 1.0 1.8 2.0 18 18 A 19 GLU O A 23 HIS N 1.0 2.7 3.1 19 19 A 24 LYS H A 20 LEU O 1.0 1.8 2.0 20 20 A 20 LEU O A 24 LYS N 1.0 2.7 3.1 21 21 A 25 ARG H A 21 GLN O 1.0 1.8 2.0 22 22 A 21 GLN O A 25 ARG N 1.0 2.7 3.1 23 23 A 25 ARG H A 22 ARG O 1.0 1.8 2.0 24 24 A 25 ARG N A 22 ARG O 1.0 2.7 3.1 25 25 A 26 THR H A 23 HIS O 1.0 1.8 2.0 26 26 A 23 HIS O A 26 THR N 1.0 2.7 3.1 27 27 A 27 HIS H A 24 LYS O 1.0 1.8 2.0 28 28 A 24 LYS O A 27 HIS N 1.0 2.7 3.1 29 29 A 28 THR H A 24 LYS O 1.0 1.8 2.0 30 30 A 24 LYS O A 28 THR N 1.0 2.7 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 2 PRO C A 3 PHE N A 3 PHE CA A 3 PHE C 1.0 -160.0 -80.0 PHI 2 2 A 4 NLE C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -90.0 -40.0 PHI 3 3 A 6 THR C A 7 TRP N A 7 TRP CA A 7 TRP C 1.0 -90.0 -40.0 PHI 4 4 A 11 GLY C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -90.0 -40.0 PHI 5 5 A 12 LYS C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -160.0 -80.0 PHI 6 6 A 13 ARG C A 14 PHE N A 14 PHE CA A 14 PHE C 1.0 -160.0 -80.0 PHI 7 7 A 14 PHE C A 15 THR N A 15 THR CA A 15 THR C 1.0 -160.0 -80.0 PHI 8 8 A 15 THR C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -160.0 -80.0 PHI 9 9 A 18 ASP C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -90.0 -40.0 PHI 10 10 A 19 GLU C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -90.0 -40.0 PHI 11 11 A 20 LEU C A 21 GLN N A 21 GLN CA A 21 GLN C 1.0 -90.0 -40.0 PHI 12 12 A 22 ARG C A 23 HIS N A 23 HIS CA A 23 HIS C 1.0 -90.0 -40.0 PHI 13 13 A 24 LYS C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -90.0 -40.0 PHI stop_ save_