data_nef_c30643_6pv2 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 6PV2 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 ORN NE 1 8 ORN C 1 9 CYS N 1 9 CYS SG 2 1 ZN ZN 1 22 HIS NE2 2 1 ZN ZN 1 26 HIS NE2 2 1 ZN ZN 1 30 LYS C 1 31 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 ORN middle -HE2,-OXT . 9 A 9 CYS middle -H2,-HG . 10 A 10 GLY middle . false 11 A 11 LYS middle . . 12 A 12 ARG middle . . 13 A 13 PHE middle . . 14 A 14 THR middle . . 15 A 15 ARG middle . . 16 A 16 SER middle . . 17 A 17 ASP middle . . 18 A 18 GLU middle . . 19 A 19 LEU middle . . 20 A 20 GLN middle . . 21 A 21 ARG middle . . 22 A 22 HIS middle -HE2 . 23 A 23 LYS middle . . 24 A 24 ARG middle . . 25 A 25 THR middle . . 26 A 26 HIS middle -HE2 . 27 A 27 THR middle . . 28 A 28 GLY middle . false 29 A 29 GLU middle . . 30 A 30 LYS middle -OXT . 31 A 31 NH2 end . . 32 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 4.243 0.000 A 1 ARG HB2 H 1 1.802 0.000 A 1 ARG HB3 H 1 1.802 0.000 A 1 ARG HD2 H 1 3.132 0.001 A 1 ARG HD3 H 1 3.132 0.001 A 1 ARG HGy H 1 1.603 0.000 A 1 ARG HGx H 1 1.541 0.000 A 2 PRO HA H 1 4.511 0.002 A 2 PRO HBy H 1 2.203 0.001 A 2 PRO HBx H 1 1.674 0.001 A 2 PRO HDy H 1 3.684 0.001 A 2 PRO HDx H 1 3.563 0.004 A 2 PRO HGy H 1 1.958 0.001 A 2 PRO HGx H 1 1.900 0.000 A 3 PHE H H 1 8.574 0.000 A 3 PHE HA H 1 4.649 0.001 A 3 PHE HBy H 1 3.065 0.000 A 3 PHE HBx H 1 2.988 0.003 A 3 PHE HD1 H 1 7.178 0.000 A 3 PHE HD2 H 1 7.178 0.000 A 3 PHE HE1 H 1 7.419 0.000 A 3 PHE HE2 H 1 7.419 0.000 A 4 NLE H H 1 8.406 0.001 A 4 NLE HA H 1 5.124 0.001 A 4 NLE HBx H 1 1.509 0.004 A 4 NLE HBy H 1 1.677 0.002 A 4 NLE HDx H 1 1.201 0.004 A 4 NLE HDy H 1 1.201 0.004 A 4 NLE HE% H 1 0.796 0.002 A 4 NLE HGx H 1 1.099 0.006 A 4 NLE HGy H 1 1.099 0.006 A 5 CYS H H 1 9.197 0.000 A 5 CYS HA H 1 4.551 0.001 A 5 CYS HBy H 1 3.412 0.002 A 5 CYS HBx H 1 2.927 0.000 A 6 THR H H 1 8.057 0.000 A 6 THR HA H 1 4.819 0.002 A 6 THR HB H 1 4.686 0.000 A 6 THR HG2% H 1 1.185 0.001 A 7 TRP H H 1 8.735 0.001 A 7 TRP HA H 1 4.231 0.001 A 7 TRP HBy H 1 2.792 0.001 A 7 TRP HBx H 1 2.757 0.000 A 7 TRP HD1 H 1 6.879 0.000 A 7 TRP HE1 H 1 10.049 0.000 A 7 TRP HE3 H 1 7.414 0.000 A 7 TRP HH2 H 1 7.192 0.000 A 7 TRP HZ2 H 1 7.433 0.000 A 7 TRP HZ3 H 1 7.110 0.000 A 8 ORN HA H 1 3.976 0.001 A 8 ORN HBx H 1 1.740 0.000 A 8 ORN HBy H 1 1.740 0.000 A 8 ORN HDx H 1 2.842 0.001 A 8 ORN HDy H 1 3.390 0.002 A 8 ORN HE1 H 1 7.778 0.001 A 8 ORN HGx H 1 1.612 0.001 A 8 ORN HGy H 1 1.612 0.001 A 9 CYS HA H 1 4.024 0.000 A 9 CYS HBy H 1 3.346 0.000 A 9 CYS HBx H 1 3.212 0.000 A 10 GLY H H 1 8.475 0.001 A 10 GLY HAy H 1 4.080 0.000 A 10 GLY HAx H 1 3.959 0.000 A 11 LYS H H 1 8.084 0.001 A 11 LYS HA H 1 3.975 0.001 A 11 LYS HB2 H 1 1.413 0.000 A 11 LYS HB3 H 1 1.413 0.000 A 11 LYS HD2 H 1 1.454 0.001 A 11 LYS HD3 H 1 1.454 0.001 A 11 LYS HE2 H 1 2.980 0.000 A 11 LYS HE3 H 1 2.980 0.000 A 11 LYS HG2 H 1 1.288 0.000 A 11 LYS HG3 H 1 1.288 0.000 A 12 ARG H H 1 7.814 0.001 A 12 ARG HA H 1 5.050 0.002 A 12 ARG HB2 H 1 1.525 0.002 A 12 ARG HB3 H 1 1.525 0.002 A 12 ARG HD2 H 1 3.107 0.002 A 12 ARG HD3 H 1 3.107 0.002 A 12 ARG HE H 1 7.200 0.000 A 12 ARG HGy H 1 1.660 0.001 A 12 ARG HGx H 1 1.444 0.002 A 13 PHE H H 1 8.763 0.000 A 13 PHE HA H 1 4.878 0.002 A 13 PHE HBy H 1 3.580 0.002 A 13 PHE HBx H 1 2.632 0.002 A 13 PHE HD1 H 1 7.191 0.001 A 13 PHE HD2 H 1 7.191 0.001 A 13 PHE HE1 H 1 6.913 0.000 A 13 PHE HE2 H 1 6.913 0.000 A 13 PHE HZ H 1 6.258 0.001 A 14 THR H H 1 9.169 0.001 A 14 THR HA H 1 4.587 0.001 A 14 THR HB H 1 4.466 0.001 A 14 THR HG2% H 1 1.330 0.001 A 15 ARG H H 1 7.744 0.001 A 15 ARG HA H 1 4.714 0.001 A 15 ARG HB2 H 1 2.156 0.001 A 15 ARG HB3 H 1 2.156 0.001 A 15 ARG HDy H 1 3.311 0.002 A 15 ARG HDx H 1 3.263 0.003 A 15 ARG HE H 1 8.063 0.001 A 15 ARG HGy H 1 1.671 0.002 A 15 ARG HGx H 1 1.645 0.001 A 16 SER H H 1 8.557 0.000 A 16 SER HA H 1 3.105 0.000 A 16 SER HBy H 1 3.542 0.002 A 16 SER HBx H 1 3.433 0.002 A 17 ASP H H 1 8.728 0.000 A 17 ASP HA H 1 4.210 0.001 A 17 ASP HBy H 1 2.675 0.001 A 17 ASP HBx H 1 2.592 0.003 A 18 GLU H H 1 7.057 0.001 A 18 GLU HA H 1 3.865 0.000 A 18 GLU HB2 H 1 2.273 0.001 A 18 GLU HB3 H 1 2.273 0.001 A 18 GLU HGy H 1 2.320 0.001 A 18 GLU HGx H 1 2.099 0.000 A 19 LEU H H 1 6.981 0.001 A 19 LEU HA H 1 3.230 0.001 A 19 LEU HBy H 1 1.991 0.000 A 19 LEU HBx H 1 1.258 0.005 A 19 LEU HDx% H 1 1.062 0.001 A 19 LEU HDy% H 1 1.095 0.002 A 19 LEU HG H 1 1.532 0.001 A 20 GLN H H 1 8.138 0.000 A 20 GLN HA H 1 3.856 0.001 A 20 GLN HB2 H 1 2.073 0.001 A 20 GLN HB3 H 1 2.073 0.001 A 20 GLN HGy H 1 2.413 0.001 A 20 GLN HGx H 1 2.388 0.000 A 21 ARG H H 1 7.699 0.000 A 21 ARG HA H 1 3.896 0.001 A 21 ARG HBy H 1 1.821 0.000 A 21 ARG HBx H 1 1.768 0.000 A 21 ARG HDy H 1 3.232 0.000 A 21 ARG HDx H 1 3.148 0.002 A 21 ARG HE H 1 7.316 0.001 A 21 ARG HG2 H 1 1.517 0.000 A 21 ARG HG3 H 1 1.517 0.000 A 22 HIS H H 1 7.695 0.000 A 22 HIS HA H 1 4.265 0.001 A 22 HIS HBy H 1 3.030 0.002 A 22 HIS HBx H 1 2.912 0.000 A 22 HIS HD2 H 1 7.138 0.000 A 22 HIS HE1 H 1 7.944 0.000 A 23 LYS H H 1 8.752 0.000 A 23 LYS HA H 1 3.632 0.001 A 23 LYS HB2 H 1 1.912 0.000 A 23 LYS HB3 H 1 1.912 0.000 A 23 LYS HD2 H 1 1.636 0.000 A 23 LYS HD3 H 1 1.636 0.000 A 23 LYS HEy H 1 3.014 0.001 A 23 LYS HEx H 1 2.896 0.000 A 23 LYS HG2 H 1 1.705 0.000 A 23 LYS HG3 H 1 1.705 0.000 A 24 ARG H H 1 7.096 0.000 A 24 ARG HA H 1 4.122 0.001 A 24 ARG HBy H 1 1.833 0.000 A 24 ARG HBx H 1 1.802 0.000 A 24 ARG HD2 H 1 3.169 0.000 A 24 ARG HD3 H 1 3.169 0.000 A 24 ARG HE H 1 7.241 0.000 A 24 ARG HGy H 1 1.896 0.000 A 24 ARG HGx H 1 1.644 0.000 A 25 THR H H 1 7.678 0.000 A 25 THR HA H 1 4.074 0.001 A 25 THR HB H 1 3.999 0.001 A 25 THR HG2% H 1 1.154 0.000 A 26 HIS H H 1 7.009 0.000 A 26 HIS HA H 1 4.396 0.000 A 26 HIS HBy H 1 2.231 0.001 A 26 HIS HBx H 1 1.552 0.000 A 26 HIS HD2 H 1 6.330 0.000 A 26 HIS HE1 H 1 8.078 0.000 A 27 THR H H 1 7.538 0.001 A 27 THR HA H 1 4.239 0.002 A 27 THR HB H 1 4.277 0.001 A 27 THR HG2% H 1 1.139 0.001 A 28 GLY H H 1 8.225 0.000 A 28 GLY HAy H 1 4.045 0.000 A 28 GLY HAx H 1 3.958 0.000 A 29 GLU H H 1 8.146 0.001 A 29 GLU HA H 1 4.242 0.001 A 29 GLU HBy H 1 2.044 0.003 A 29 GLU HBx H 1 1.941 0.001 A 29 GLU HG2 H 1 2.252 0.001 A 29 GLU HG3 H 1 2.252 0.001 A 30 LYS H H 1 8.421 0.001 A 30 LYS HA H 1 4.226 0.001 A 30 LYS HBy H 1 1.822 0.001 A 30 LYS HBx H 1 1.741 0.001 A 30 LYS HD2 H 1 1.652 0.001 A 30 LYS HD3 H 1 1.652 0.001 A 30 LYS HE2 H 1 2.975 0.003 A 30 LYS HE3 H 1 2.975 0.003 A 30 LYS HGy H 1 1.441 0.001 A 30 LYS HGx H 1 1.379 0.002 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 22 HIS HBy A 22 HIS HBx 1.0 1.341 2.065 2 1 A 23 LYS HEy A 23 LYS HEx 1.0 1.341 2.065 3 2 A 15 ARG HB3 A 15 ARG HGy 1.0 1.477 2.431 4 2 A 15 ARG HB2 A 15 ARG HGy 1.0 1.477 2.431 5 2 A 15 ARG HGx A 15 ARG HB2 1.0 1.477 2.431 6 2 A 15 ARG HGx A 15 ARG HB3 1.0 1.477 2.431 7 3 A 21 ARG HBy A 22 HIS H 1.0 1.643 2.977 8 3 A 21 ARG HBy A 21 ARG H 1.0 1.643 2.977 9 4 A 13 PHE HE1 A 5 CYS HBy 1.0 1.679 3.115 10 4 A 13 PHE HE2 A 5 CYS HBy 1.0 1.679 3.115 11 4 A 22 HIS HBy A 13 PHE HE2 1.0 1.679 3.115 12 4 A 22 HIS HBy A 13 PHE HE1 1.0 1.679 3.115 13 5 A 24 ARG HA A 24 ARG HBy 1.0 1.710 3.242 14 5 A 24 ARG HBx A 24 ARG HA 1.0 1.710 3.242 15 6 A 30 LYS H A 30 LYS HA 1.0 1.715 3.267 16 6 A 29 GLU HA A 30 LYS H 1.0 1.715 3.267 17 7 A 21 ARG H A 20 GLN HA 1.0 1.727 3.319 18 7 A 22 HIS H A 18 GLU HA 1.0 1.727 3.319 19 7 A 21 ARG H A 18 GLU HA 1.0 1.727 3.319 20 8 A 11 LYS H A 11 LYS HA 1.0 1.737 3.365 21 8 A 10 GLY HAy A 11 LYS H 1.0 1.737 3.365 22 9 A 13 PHE HE1 A 11 LYS HG3 1.0 1.739 3.369 23 9 A 13 PHE HE2 A 19 LEU HBy 1.0 1.739 3.369 24 9 A 13 PHE HE2 A 11 LYS HG3 1.0 1.739 3.369 25 9 A 13 PHE HE2 A 11 LYS HG2 1.0 1.739 3.369 26 9 A 13 PHE HE1 A 11 LYS HG2 1.0 1.739 3.369 27 9 A 13 PHE HE1 A 19 LEU HBy 1.0 1.739 3.369 28 10 A 2 PRO HBy A 13 PHE H 1.0 1.742 3.386 29 10 A 23 LYS H A 23 LYS HD2 1.0 1.742 3.386 30 10 A 23 LYS HD3 A 23 LYS H 1.0 1.742 3.386 31 11 A 30 LYS HA A 30 LYS HBx 1.0 1.751 3.425 32 11 A 1 ARG HA A 1 ARG HB2 1.0 1.751 3.425 33 11 A 1 ARG HB3 A 1 ARG HA 1.0 1.751 3.425 34 12 A 11 LYS HA A 12 ARG HGy 1.0 1.765 3.491 35 12 A 11 LYS HA A 11 LYS HD2 1.0 1.765 3.491 36 12 A 11 LYS HA A 11 LYS HD3 1.0 1.765 3.491 37 13 A 19 LEU HBx A 3 PHE HD1 1.0 1.787 3.603 38 13 A 19 LEU HBx A 3 PHE HD2 1.0 1.787 3.603 39 13 A 19 LEU HBx A 13 PHE HD2 1.0 1.787 3.603 40 13 A 19 LEU HBx A 13 PHE HD1 1.0 1.787 3.603 41 14 A 20 GLN H A 20 GLN HGy 1.0 1.796 3.650 42 14 A 20 GLN HGx A 20 GLN H 1.0 1.796 3.650 43 15 A 17 ASP HA A 17 ASP H 1.0 1.801 3.673 44 15 A 7 TRP HA A 7 TRP H 1.0 1.801 3.673 45 16 A 20 GLN HA A 20 GLN HGx 1.0 1.825 3.813 46 16 A 20 GLN HA A 20 GLN HGy 1.0 1.825 3.813 47 17 A 24 ARG HBy A 25 THR H 1.0 1.837 3.879 48 17 A 21 ARG H A 21 ARG HBx 1.0 1.837 3.879 49 18 A 22 HIS H A 19 LEU HA 1.0 1.839 3.893 50 18 A 21 ARG H A 19 LEU HA 1.0 1.839 3.893 51 19 A 4 NLE H A 19 LEU HDy% 1.0 1.848 3.950 52 19 A 4 NLE H A 4 NLE HGx 1.0 1.848 3.950 53 19 A 4 NLE HGy A 4 NLE H 1.0 1.848 3.950 54 20 A 26 HIS HBy A 7 TRP HH2 1.0 1.861 4.031 55 20 A 12 ARG HE A 12 ARG HB2 1.0 1.861 4.031 56 20 A 12 ARG HB3 A 12 ARG HE 1.0 1.861 4.031 57 21 A 22 HIS H A 21 ARG HG3 1.0 1.869 4.087 58 21 A 22 HIS H A 21 ARG HG2 1.0 1.869 4.087 59 21 A 21 ARG H A 21 ARG HG2 1.0 1.869 4.087 60 21 A 21 ARG H A 21 ARG HG3 1.0 1.869 4.087 61 22 A 5 CYS HBy A 23 LYS H 1.0 1.880 4.166 62 22 A 5 CYS HBy A 7 TRP H 1.0 1.880 4.166 63 22 A 22 HIS HBy A 23 LYS H 1.0 1.880 4.166 64 23 A 22 HIS H A 21 ARG HA 1.0 1.883 4.179 65 23 A 21 ARG H A 21 ARG HA 1.0 1.883 4.179 66 23 A 21 ARG H A 20 GLN HA 1.0 1.883 4.179 67 24 A 25 THR H A 23 LYS HB2 1.0 1.892 4.252 68 24 A 25 THR H A 23 LYS HB3 1.0 1.892 4.252 69 24 A 21 ARG H A 23 LYS HB2 1.0 1.892 4.252 70 24 A 22 HIS H A 23 LYS HB2 1.0 1.892 4.252 71 24 A 21 ARG H A 23 LYS HB3 1.0 1.892 4.252 72 24 A 22 HIS H A 23 LYS HB3 1.0 1.892 4.252 73 25 A 13 PHE H A 19 LEU HDx% 1.0 1.904 4.344 74 25 A 23 LYS H A 19 LEU HDx% 1.0 1.904 4.344 75 26 A 19 LEU H A 20 GLN HB2 1.0 1.907 4.367 76 26 A 19 LEU H A 20 GLN HB3 1.0 1.907 4.367 77 26 A 18 GLU HGy A 19 LEU H 1.0 1.907 4.367 78 27 A 23 LYS HEx A 7 TRP HE3 1.0 1.907 4.371 79 27 A 3 PHE HBy A 3 PHE HE2 1.0 1.907 4.371 80 27 A 3 PHE HBy A 3 PHE HE1 1.0 1.907 4.371 81 28 A 2 PRO HBy A 3 PHE HD2 1.0 1.935 4.627 82 28 A 2 PRO HBy A 3 PHE HD1 1.0 1.935 4.627 83 28 A 15 ARG HGx A 3 PHE HD1 1.0 1.935 4.627 84 28 A 13 PHE HD2 A 4 NLE HBy 1.0 1.935 4.627 85 28 A 13 PHE HD1 A 4 NLE HBy 1.0 1.935 4.627 86 28 A 15 ARG HGx A 3 PHE HD2 1.0 1.935 4.627 87 28 A 2 PRO HBy A 12 ARG HE 1.0 1.935 4.627 88 28 A 12 ARG HE A 4 NLE HBy 1.0 1.935 4.627 89 29 A 25 THR HG2% A 24 ARG H 1.0 1.945 4.723 90 29 A 27 THR HG2% A 7 TRP HZ3 1.0 1.945 4.723 91 30 A 7 TRP H A 7 TRP HE3 1.0 1.948 4.768 92 30 A 17 ASP H A 3 PHE HE2 1.0 1.948 4.768 93 30 A 17 ASP H A 3 PHE HE1 1.0 1.948 4.768 94 31 A 25 THR HG2% A 26 HIS H 1.0 1.951 4.803 95 31 A 27 THR HG2% A 26 HIS H 1.0 1.951 4.803 96 32 A 21 ARG H A 19 LEU HDx% 1.0 1.954 4.840 97 32 A 22 HIS H A 19 LEU HDx% 1.0 1.954 4.840 98 33 A 7 TRP H A 9 CYS HBy 1.0 1.958 4.878 99 33 A 23 LYS H A 19 LEU HA 1.0 1.958 4.878 100 34 A 11 LYS H A 9 CYS HA 1.0 1.964 4.960 101 34 A 9 CYS HA A 26 HIS HE1 1.0 1.964 4.960 102 35 A 7 TRP H A 26 HIS HD2 1.0 1.966 5.004 103 35 A 23 LYS H A 26 HIS HD2 1.0 1.966 5.004 104 36 A 12 ARG HA A 12 ARG HGx 1.0 1.984 5.296 105 36 A 4 NLE HBy A 12 ARG HA 1.0 1.984 5.296 106 37 A 26 HIS HE1 A 22 HIS HD2 1.0 1.989 5.407 107 37 A 11 LYS H A 22 HIS HD2 1.0 1.989 5.407 108 38 A 22 HIS H A 21 ARG HA 1.0 1.990 5.426 109 38 A 21 ARG H A 21 ARG HA 1.0 1.990 5.426 110 39 A 25 THR H A 22 HIS HD2 1.0 1.990 5.428 111 39 A 22 HIS H A 22 HIS HD2 1.0 1.990 5.428 112 40 A 17 ASP HBy A 17 ASP HBx 1.0 1.261 1.877 113 41 A 21 ARG HDy A 21 ARG HDx 1.0 1.327 2.033 114 42 A 18 GLU HGy A 18 GLU HB2 1.0 1.357 2.107 115 42 A 18 GLU HGy A 18 GLU HB3 1.0 1.357 2.107 116 43 A 16 SER HBy A 16 SER HBx 1.0 1.374 2.152 117 44 A 5 CYS HBy A 5 CYS HBx 1.0 1.407 2.235 118 45 A 8 ORN HDx A 8 ORN HDy 1.0 1.416 2.262 119 46 A 2 PRO HDy A 2 PRO HDx 1.0 1.425 2.285 120 47 A 13 PHE HBy A 13 PHE HBx 1.0 1.430 2.300 121 48 A 13 PHE HE2 A 13 PHE HD1 1.0 1.464 2.396 122 48 A 13 PHE HE2 A 13 PHE HD2 1.0 1.464 2.396 123 48 A 13 PHE HE1 A 13 PHE HD2 1.0 1.464 2.396 124 48 A 13 PHE HE1 A 13 PHE HD1 1.0 1.464 2.396 125 49 A 26 HIS HBy A 26 HIS HBx 1.0 1.472 2.420 126 50 A 19 LEU HBy A 19 LEU HBx 1.0 1.481 2.443 127 51 A 13 PHE HE2 A 13 PHE HZ 1.0 1.506 2.520 128 51 A 13 PHE HE1 A 13 PHE HZ 1.0 1.506 2.520 129 52 A 11 LYS HA A 12 ARG H 1.0 1.522 2.566 130 53 A 20 GLN HA A 20 GLN HB2 1.0 1.524 2.572 131 53 A 20 GLN HA A 20 GLN HB3 1.0 1.524 2.572 132 54 A 6 THR HB A 6 THR HG2% 1.0 1.543 2.633 133 55 A 2 PRO HBy A 2 PRO HBx 1.0 1.545 2.637 134 56 A 29 GLU HBx A 29 GLU HG2 1.0 1.551 2.657 135 56 A 29 GLU HBx A 29 GLU HG3 1.0 1.551 2.657 136 57 A 19 LEU HDx% A 19 LEU HG 1.0 1.557 2.675 137 58 A 13 PHE H A 12 ARG HA 1.0 1.566 2.708 138 59 A 4 NLE H A 3 PHE HA 1.0 1.570 2.722 139 60 A 19 LEU HDy% A 19 LEU HG 1.0 1.573 2.729 140 61 A 4 NLE HA A 5 CYS H 1.0 1.573 2.733 141 62 A 13 PHE HD2 A 13 PHE HBy 1.0 1.581 2.757 142 62 A 13 PHE HD1 A 13 PHE HBy 1.0 1.581 2.757 143 63 A 25 THR HG2% A 25 THR HB 1.0 1.585 2.771 144 64 A 3 PHE HD2 A 3 PHE HBy 1.0 1.604 2.838 145 64 A 3 PHE HD1 A 3 PHE HBy 1.0 1.604 2.838 146 65 A 26 HIS HD2 A 23 LYS HA 1.0 1.605 2.841 147 66 A 5 CYS HBy A 22 HIS HD2 1.0 1.606 2.846 148 67 A 22 HIS HBx A 22 HIS H 1.0 1.610 2.860 149 68 A 11 LYS HA A 11 LYS HG2 1.0 1.613 2.869 150 68 A 11 LYS HA A 11 LYS HG3 1.0 1.613 2.869 151 69 A 21 ARG HBy A 21 ARG HA 1.0 1.617 2.883 152 70 A 24 ARG HBy A 24 ARG H 1.0 1.619 2.889 153 71 A 24 ARG HBy A 24 ARG HD2 1.0 1.623 2.903 154 71 A 24 ARG HBy A 24 ARG HD3 1.0 1.623 2.903 155 72 A 18 GLU HGy A 18 GLU HGx 1.0 1.623 2.903 156 73 A 13 PHE HD2 A 13 PHE HBx 1.0 1.623 2.907 157 73 A 13 PHE HD1 A 13 PHE HBx 1.0 1.623 2.907 158 74 A 3 PHE HD2 A 3 PHE HBx 1.0 1.630 2.930 159 74 A 3 PHE HD1 A 3 PHE HBx 1.0 1.630 2.930 160 75 A 23 LYS HB2 A 23 LYS HA 1.0 1.631 2.933 161 75 A 23 LYS HB3 A 23 LYS HA 1.0 1.631 2.933 162 76 A 8 ORN HA A 8 ORN HBx 1.0 1.631 2.933 163 76 A 8 ORN HBy A 8 ORN HA 1.0 1.631 2.933 164 77 A 2 PRO HA A 3 PHE H 1.0 1.631 2.933 165 78 A 8 ORN HDy A 8 ORN HA 1.0 1.635 2.949 166 79 A 6 THR HG2% A 6 THR HA 1.0 1.636 2.952 167 80 A 7 TRP HD1 A 7 TRP HE1 1.0 1.638 2.956 168 81 A 19 LEU HBx A 19 LEU H 1.0 1.640 2.966 169 82 A 8 ORN HDx A 8 ORN HBx 1.0 1.641 2.969 170 82 A 8 ORN HDx A 8 ORN HBy 1.0 1.641 2.969 171 83 A 18 GLU HB2 A 18 GLU H 1.0 1.642 2.974 172 83 A 18 GLU HB3 A 18 GLU H 1.0 1.642 2.974 173 84 A 19 LEU HA A 19 LEU HDx% 1.0 1.643 2.977 174 85 A 25 THR HG2% A 25 THR HA 1.0 1.643 2.977 175 86 A 19 LEU HBy A 19 LEU HA 1.0 1.644 2.980 176 87 A 22 HIS HBx A 19 LEU HA 1.0 1.644 2.984 177 88 A 21 ARG HBx A 21 ARG HA 1.0 1.647 2.991 178 89 A 10 GLY HAx A 10 GLY H 1.0 1.649 2.999 179 90 A 20 GLN HGy A 20 GLN HB2 1.0 1.650 3.002 180 90 A 20 GLN HGy A 20 GLN HB3 1.0 1.650 3.002 181 91 A 12 ARG HGx A 12 ARG HD2 1.0 1.652 3.010 182 91 A 12 ARG HGx A 12 ARG HD3 1.0 1.652 3.010 183 92 A 3 PHE HBy A 13 PHE HBy 1.0 1.652 3.014 184 93 A 7 TRP H A 7 TRP HBy 1.0 1.655 3.021 185 94 A 20 GLN H A 20 GLN HB2 1.0 1.656 3.026 186 94 A 20 GLN H A 20 GLN HB3 1.0 1.656 3.026 187 95 A 23 LYS H A 23 LYS HB2 1.0 1.657 3.029 188 95 A 23 LYS H A 23 LYS HB3 1.0 1.657 3.029 189 96 A 19 LEU H A 18 GLU H 1.0 1.664 3.054 190 97 A 17 ASP HA A 17 ASP HBx 1.0 1.667 3.071 191 98 A 13 PHE HD2 A 13 PHE HA 1.0 1.667 3.071 192 98 A 13 PHE HD1 A 13 PHE HA 1.0 1.667 3.071 193 99 A 21 ARG HBy A 21 ARG HDy 1.0 1.667 3.071 194 100 A 7 TRP H A 7 TRP HBx 1.0 1.670 3.080 195 101 A 17 ASP HA A 17 ASP HBy 1.0 1.670 3.084 196 102 A 18 GLU HA A 18 GLU HB2 1.0 1.672 3.088 197 102 A 18 GLU HA A 18 GLU HB3 1.0 1.672 3.088 198 103 A 14 THR HB A 14 THR HG2% 1.0 1.672 3.088 199 104 A 21 ARG HG2 A 21 ARG HDx 1.0 1.676 3.102 200 104 A 21 ARG HG3 A 21 ARG HDx 1.0 1.676 3.102 201 105 A 13 PHE HD1 A 19 LEU HDx% 1.0 1.681 3.125 202 105 A 13 PHE HD2 A 19 LEU HDx% 1.0 1.681 3.125 203 106 A 13 PHE HBx A 13 PHE HA 1.0 1.683 3.135 204 107 A 24 ARG HA A 24 ARG HGx 1.0 1.686 3.144 205 108 A 22 HIS HBy A 22 HIS H 1.0 1.688 3.150 206 109 A 26 HIS H A 26 HIS HBx 1.0 1.688 3.150 207 110 A 25 THR H A 25 THR HG2% 1.0 1.690 3.160 208 111 A 2 PRO HBx A 2 PRO HA 1.0 1.691 3.165 209 112 A 5 CYS HBy A 5 CYS HA 1.0 1.696 3.186 210 113 A 8 ORN HDy A 8 ORN HBx 1.0 1.698 3.192 211 113 A 8 ORN HDy A 8 ORN HBy 1.0 1.698 3.192 212 114 A 11 LYS H A 11 LYS HB2 1.0 1.698 3.192 213 114 A 11 LYS H A 11 LYS HB3 1.0 1.698 3.192 214 115 A 19 LEU HBx A 19 LEU HDy% 1.0 1.700 3.202 215 116 A 5 CYS HBy A 19 LEU HDx% 1.0 1.700 3.202 216 117 A 23 LYS HB2 A 24 ARG H 1.0 1.702 3.208 217 117 A 23 LYS HB3 A 24 ARG H 1.0 1.702 3.208 218 118 A 17 ASP HA A 20 GLN HB2 1.0 1.702 3.208 219 118 A 17 ASP HA A 20 GLN HB3 1.0 1.702 3.208 220 119 A 27 THR HG2% A 27 THR HB 1.0 1.702 3.208 221 120 A 19 LEU HBy A 19 LEU H 1.0 1.703 3.213 222 121 A 19 LEU HDx% A 22 HIS HD2 1.0 1.704 3.220 223 122 A 12 ARG HA A 12 ARG HGx 1.0 1.705 3.225 224 123 A 3 PHE HD2 A 3 PHE HA 1.0 1.709 3.237 225 123 A 3 PHE HD1 A 3 PHE HA 1.0 1.709 3.237 226 124 A 1 ARG HA A 2 PRO HDx 1.0 1.709 3.237 227 125 A 5 CYS HBx A 5 CYS H 1.0 1.710 3.242 228 126 A 15 ARG HA A 16 SER H 1.0 1.711 3.249 229 127 A 9 CYS HBy A 9 CYS HA 1.0 1.714 3.260 230 128 A 19 LEU HDx% A 5 CYS HA 1.0 1.714 3.260 231 129 A 25 THR H A 26 HIS H 1.0 1.717 3.273 232 130 A 9 CYS HBy A 26 HIS HE1 1.0 1.717 3.273 233 131 A 12 ARG HB2 A 12 ARG HD2 1.0 1.718 3.280 234 131 A 12 ARG HB2 A 12 ARG HD3 1.0 1.718 3.280 235 131 A 12 ARG HB3 A 12 ARG HD2 1.0 1.718 3.280 236 131 A 12 ARG HB3 A 12 ARG HD3 1.0 1.718 3.280 237 132 A 22 HIS HBx A 22 HIS HD2 1.0 1.720 3.286 238 133 A 15 ARG HGx A 15 ARG HDx 1.0 1.721 3.293 239 134 A 10 GLY HAy A 10 GLY H 1.0 1.721 3.293 240 135 A 13 PHE H A 13 PHE HD2 1.0 1.723 3.299 241 135 A 13 PHE H A 13 PHE HD1 1.0 1.723 3.299 242 136 A 13 PHE HA A 14 THR H 1.0 1.723 3.299 243 137 A 22 HIS H A 22 HIS HA 1.0 1.726 3.312 244 138 A 21 ARG HBy A 21 ARG HDx 1.0 1.726 3.312 245 139 A 26 HIS HD2 A 26 HIS HBx 1.0 1.726 3.312 246 140 A 12 ARG HGy A 12 ARG HD2 1.0 1.728 3.322 247 140 A 12 ARG HGy A 12 ARG HD3 1.0 1.728 3.322 248 141 A 19 LEU HDy% A 3 PHE HBx 1.0 1.729 3.325 249 142 A 12 ARG HB2 A 12 ARG H 1.0 1.731 3.333 250 142 A 12 ARG HB3 A 12 ARG H 1.0 1.731 3.333 251 143 A 2 PRO HBx A 2 PRO HGx 1.0 1.731 3.337 252 144 A 3 PHE HA A 3 PHE HBx 1.0 1.734 3.348 253 145 A 22 HIS HBy A 22 HIS HA 1.0 1.736 3.354 254 146 A 24 ARG HD2 A 24 ARG HGy 1.0 1.736 3.354 255 146 A 24 ARG HD3 A 24 ARG HGy 1.0 1.736 3.354 256 147 A 15 ARG HGx A 15 ARG HA 1.0 1.736 3.358 257 148 A 13 PHE HE2 A 19 LEU HDx% 1.0 1.736 3.358 258 148 A 13 PHE HE1 A 19 LEU HDx% 1.0 1.736 3.358 259 149 A 4 NLE HA A 4 NLE HBx 1.0 1.736 3.358 260 150 A 16 SER HBx A 16 SER HA 1.0 1.737 3.363 261 151 A 28 GLY HAy A 28 GLY H 1.0 1.738 3.368 262 152 A 24 ARG HA A 24 ARG H 1.0 1.740 3.372 263 153 A 3 PHE HD1 A 19 LEU HDy% 1.0 1.739 3.373 264 153 A 3 PHE HD2 A 19 LEU HDy% 1.0 1.739 3.373 265 154 A 9 CYS HA A 9 CYS HBx 1.0 1.740 3.376 266 155 A 11 LYS HA A 11 LYS HB2 1.0 1.741 3.379 267 155 A 11 LYS HA A 11 LYS HB3 1.0 1.741 3.379 268 156 A 5 CYS HBy A 5 CYS H 1.0 1.742 3.382 269 157 A 14 THR HG2% A 14 THR HA 1.0 1.741 3.383 270 158 A 13 PHE HD2 A 18 GLU HB2 1.0 1.742 3.386 271 158 A 13 PHE HD1 A 18 GLU HB2 1.0 1.742 3.386 272 158 A 13 PHE HD2 A 18 GLU HB3 1.0 1.742 3.386 273 158 A 13 PHE HD1 A 18 GLU HB3 1.0 1.742 3.386 274 159 A 21 ARG H A 20 GLN HB2 1.0 1.743 3.389 275 159 A 21 ARG H A 20 GLN HB3 1.0 1.743 3.389 276 160 A 13 PHE HE2 A 22 HIS HD2 1.0 1.744 3.392 277 160 A 13 PHE HE1 A 22 HIS HD2 1.0 1.744 3.392 278 161 A 8 ORN HDx A 8 ORN HGx 1.0 1.744 3.394 279 161 A 8 ORN HDx A 8 ORN HGy 1.0 1.744 3.394 280 162 A 27 THR HG2% A 27 THR HA 1.0 1.746 3.402 281 163 A 13 PHE H A 3 PHE H 1.0 1.747 3.405 282 164 A 13 PHE HBx A 15 ARG H 1.0 1.747 3.407 283 165 A 21 ARG HG2 A 21 ARG HA 1.0 1.748 3.410 284 165 A 21 ARG HG3 A 21 ARG HA 1.0 1.748 3.410 285 166 A 20 GLN HA A 23 LYS HB2 1.0 1.747 3.411 286 166 A 20 GLN HA A 23 LYS HB3 1.0 1.747 3.411 287 167 A 20 GLN HA A 20 GLN H 1.0 1.749 3.415 288 168 A 5 CYS HA A 6 THR H 1.0 1.750 3.422 289 169 A 22 HIS H A 23 LYS H 1.0 1.752 3.430 290 170 A 20 GLN H A 19 LEU H 1.0 1.752 3.430 291 171 A 18 GLU HB2 A 13 PHE HBx 1.0 1.752 3.432 292 171 A 18 GLU HB3 A 13 PHE HBx 1.0 1.752 3.432 293 172 A 7 TRP HA A 7 TRP HBy 1.0 1.753 3.435 294 173 A 7 TRP HA A 7 TRP HBx 1.0 1.753 3.435 295 174 A 25 THR H A 25 THR HA 1.0 1.753 3.437 296 175 A 7 TRP HE3 A 7 TRP HBx 1.0 1.754 3.442 297 176 A 9 CYS HA A 10 GLY H 1.0 1.756 3.448 298 177 A 19 LEU HBx A 20 GLN H 1.0 1.758 3.462 299 178 A 22 HIS HBx A 23 LYS H 1.0 1.759 3.463 300 179 A 19 LEU HBx A 19 LEU HA 1.0 1.761 3.473 301 180 A 19 LEU HA A 19 LEU H 1.0 1.762 3.480 302 181 A 18 GLU HA A 18 GLU H 1.0 1.762 3.480 303 182 A 23 LYS H A 23 LYS HA 1.0 1.762 3.482 304 183 A 19 LEU HBx A 19 LEU HDx% 1.0 1.764 3.486 305 184 A 19 LEU HBy A 3 PHE HBx 1.0 1.765 3.493 306 185 A 11 LYS H A 11 LYS HG2 1.0 1.766 3.494 307 185 A 11 LYS H A 11 LYS HG3 1.0 1.766 3.494 308 186 A 13 PHE H A 13 PHE HBy 1.0 1.766 3.496 309 187 A 13 PHE HBy A 13 PHE HA 1.0 1.767 3.505 310 188 A 5 CYS HBx A 5 CYS HA 1.0 1.768 3.508 311 189 A 8 ORN HDy A 8 ORN HGx 1.0 1.768 3.510 312 189 A 8 ORN HDy A 8 ORN HGy 1.0 1.768 3.510 313 190 A 19 LEU HBy A 13 PHE HD2 1.0 1.770 3.514 314 190 A 19 LEU HBy A 13 PHE HD1 1.0 1.770 3.514 315 191 A 26 HIS HBy A 26 HIS HA 1.0 1.770 3.516 316 192 A 3 PHE HBy A 3 PHE H 1.0 1.770 3.518 317 193 A 12 ARG HB2 A 12 ARG HA 1.0 1.771 3.523 318 193 A 12 ARG HB3 A 12 ARG HA 1.0 1.771 3.523 319 194 A 22 HIS HBx A 19 LEU HDx% 1.0 1.773 3.529 320 195 A 22 HIS HBy A 13 PHE HZ 1.0 1.773 3.531 321 196 A 19 LEU H A 18 GLU HB2 1.0 1.773 3.531 322 196 A 19 LEU H A 18 GLU HB3 1.0 1.773 3.531 323 197 A 25 THR H A 24 ARG H 1.0 1.773 3.533 324 198 A 3 PHE HE2 A 15 ARG HA 1.0 1.773 3.533 325 198 A 3 PHE HE1 A 15 ARG HA 1.0 1.773 3.533 326 199 A 21 ARG H A 21 ARG HA 1.0 1.773 3.533 327 200 A 15 ARG HB2 A 15 ARG HA 1.0 1.774 3.534 328 200 A 15 ARG HB3 A 15 ARG HA 1.0 1.774 3.534 329 201 A 2 PRO HDy A 2 PRO HGy 1.0 1.775 3.541 330 202 A 21 ARG H A 20 GLN H 1.0 1.775 3.543 331 203 A 2 PRO HBy A 3 PHE H 1.0 1.777 3.549 332 204 A 7 TRP H A 6 THR HA 1.0 1.777 3.551 333 205 A 24 ARG HD2 A 24 ARG HGx 1.0 1.780 3.564 334 205 A 24 ARG HD3 A 24 ARG HGx 1.0 1.780 3.564 335 206 A 23 LYS H A 24 ARG H 1.0 1.779 3.565 336 207 A 18 GLU HGx A 18 GLU H 1.0 1.781 3.567 337 208 A 28 GLY H A 27 THR HA 1.0 1.780 3.568 338 209 A 12 ARG HGx A 12 ARG H 1.0 1.781 3.573 339 210 A 8 ORN HA A 8 ORN HGx 1.0 1.781 3.573 340 210 A 8 ORN HA A 8 ORN HGy 1.0 1.781 3.573 341 211 A 26 HIS H A 27 THR H 1.0 1.783 3.581 342 212 A 28 GLY H A 28 GLY HAx 1.0 1.783 3.583 343 213 A 15 ARG HGx A 15 ARG HDy 1.0 1.783 3.585 344 214 A 13 PHE HD2 A 19 LEU HA 1.0 1.786 3.594 345 214 A 13 PHE HD1 A 19 LEU HA 1.0 1.786 3.594 346 215 A 23 LYS H A 23 LYS HG2 1.0 1.787 3.605 347 215 A 23 LYS H A 23 LYS HG3 1.0 1.787 3.605 348 216 A 2 PRO HDy A 2 PRO HGx 1.0 1.789 3.615 349 217 A 18 GLU HA A 18 GLU HGx 1.0 1.790 3.616 350 218 A 11 LYS H A 5 CYS HBx 1.0 1.790 3.622 351 219 A 29 GLU HA A 29 GLU H 1.0 1.792 3.626 352 220 A 20 GLN HGy A 23 LYS HB2 1.0 1.793 3.633 353 220 A 20 GLN HGy A 23 LYS HB3 1.0 1.793 3.633 354 221 A 17 ASP H A 17 ASP HBx 1.0 1.794 3.636 355 222 A 7 TRP HE1 A 7 TRP HZ2 1.0 1.794 3.636 356 223 A 13 PHE HE2 A 11 LYS HB2 1.0 1.795 3.647 357 223 A 13 PHE HE1 A 11 LYS HB2 1.0 1.795 3.647 358 223 A 13 PHE HE2 A 11 LYS HB3 1.0 1.795 3.647 359 223 A 13 PHE HE1 A 11 LYS HB3 1.0 1.795 3.647 360 224 A 13 PHE HD2 A 12 ARG HA 1.0 1.796 3.648 361 224 A 13 PHE HD1 A 12 ARG HA 1.0 1.796 3.648 362 225 A 11 LYS HG2 A 12 ARG H 1.0 1.796 3.648 363 225 A 11 LYS HG3 A 12 ARG H 1.0 1.796 3.648 364 226 A 4 NLE H A 4 NLE HBy 1.0 1.796 3.652 365 227 A 1 ARG HA A 2 PRO HDy 1.0 1.797 3.653 366 228 A 26 HIS H A 26 HIS HA 1.0 1.799 3.663 367 229 A 11 LYS H A 10 GLY H 1.0 1.799 3.665 368 230 A 29 GLU HG2 A 29 GLU HBy 1.0 1.800 3.666 369 230 A 29 GLU HG3 A 29 GLU HBy 1.0 1.800 3.666 370 231 A 9 CYS HBy A 10 GLY H 1.0 1.800 3.666 371 232 A 3 PHE HD2 A 3 PHE H 1.0 1.799 3.667 372 232 A 3 PHE HD1 A 3 PHE H 1.0 1.799 3.667 373 233 A 11 LYS HB2 A 22 HIS HE1 1.0 1.800 3.670 374 233 A 11 LYS HB3 A 22 HIS HE1 1.0 1.800 3.670 375 234 A 29 GLU H A 29 GLU HBy 1.0 1.801 3.673 376 235 A 4 NLE H A 4 NLE HBx 1.0 1.801 3.673 377 236 A 7 TRP HD1 A 7 TRP HBy 1.0 1.803 3.687 378 237 A 26 HIS HA A 27 THR H 1.0 1.804 3.692 379 238 A 2 PRO HDx A 2 PRO HGx 1.0 1.805 3.697 380 239 A 11 LYS HD2 A 22 HIS HE1 1.0 1.806 3.700 381 239 A 11 LYS HD3 A 22 HIS HE1 1.0 1.806 3.700 382 240 A 22 HIS HD2 A 5 CYS HBx 1.0 1.808 3.714 383 241 A 1 ARG HB2 A 1 ARG HD2 1.0 1.809 3.719 384 241 A 1 ARG HB2 A 1 ARG HD3 1.0 1.809 3.719 385 241 A 1 ARG HB3 A 1 ARG HD2 1.0 1.809 3.719 386 241 A 1 ARG HB3 A 1 ARG HD3 1.0 1.809 3.719 387 242 A 19 LEU HDy% A 3 PHE HBy 1.0 1.809 3.719 388 243 A 17 ASP HA A 17 ASP H 1.0 1.811 3.727 389 244 A 22 HIS HD2 A 23 LYS HA 1.0 1.811 3.727 390 245 A 24 ARG HA A 24 ARG HGy 1.0 1.811 3.729 391 246 A 13 PHE H A 13 PHE HA 1.0 1.811 3.731 392 247 A 23 LYS HA A 23 LYS HG2 1.0 1.813 3.743 393 247 A 23 LYS HA A 23 LYS HG3 1.0 1.813 3.743 394 248 A 13 PHE HBy A 3 PHE HBx 1.0 1.814 3.748 395 249 A 3 PHE HE2 A 16 SER HBx 1.0 1.815 3.751 396 249 A 3 PHE HE1 A 16 SER HBx 1.0 1.815 3.751 397 250 A 26 HIS HE1 A 9 CYS HBx 1.0 1.815 3.753 398 251 A 8 ORN HDx A 8 ORN HA 1.0 1.816 3.756 399 252 A 14 THR H A 15 ARG H 1.0 1.816 3.756 400 253 A 21 ARG HG2 A 21 ARG HDy 1.0 1.817 3.761 401 253 A 21 ARG HG3 A 21 ARG HDy 1.0 1.817 3.761 402 254 A 4 NLE HGx A 4 NLE HA 1.0 1.817 3.763 403 254 A 4 NLE HGy A 4 NLE HA 1.0 1.817 3.763 404 255 A 12 ARG HD2 A 2 PRO HGx 1.0 1.818 3.768 405 255 A 12 ARG HD3 A 2 PRO HGx 1.0 1.818 3.768 406 256 A 11 LYS H A 11 LYS HD2 1.0 1.819 3.773 407 256 A 11 LYS H A 11 LYS HD3 1.0 1.819 3.773 408 257 A 18 GLU HB2 A 15 ARG H 1.0 1.821 3.783 409 257 A 18 GLU HB3 A 15 ARG H 1.0 1.821 3.783 410 258 A 3 PHE HBy A 3 PHE HA 1.0 1.821 3.789 411 259 A 19 LEU HBx A 3 PHE HBy 1.0 1.821 3.789 412 260 A 12 ARG HGy A 12 ARG HA 1.0 1.822 3.790 413 261 A 3 PHE HD2 A 14 THR HA 1.0 1.825 3.807 414 261 A 3 PHE HD1 A 14 THR HA 1.0 1.825 3.807 415 262 A 24 ARG H A 24 ARG HGy 1.0 1.827 3.823 416 263 A 17 ASP H A 18 GLU H 1.0 1.829 3.829 417 264 A 22 HIS HBx A 22 HIS HA 1.0 1.829 3.831 418 265 A 2 PRO HBy A 2 PRO HA 1.0 1.829 3.835 419 266 A 3 PHE HE2 A 16 SER HBy 1.0 1.830 3.838 420 266 A 3 PHE HE1 A 16 SER HBy 1.0 1.830 3.838 421 267 A 12 ARG HA A 12 ARG H 1.0 1.830 3.842 422 268 A 13 PHE HE2 A 5 CYS HBx 1.0 1.831 3.843 423 268 A 13 PHE HE1 A 5 CYS HBx 1.0 1.831 3.843 424 269 A 26 HIS HBy A 26 HIS H 1.0 1.831 3.845 425 270 A 18 GLU HGy A 18 GLU H 1.0 1.831 3.847 426 271 A 7 TRP HA A 7 TRP HE3 1.0 1.835 3.863 427 272 A 4 NLE HBy A 4 NLE HA 1.0 1.835 3.869 428 273 A 7 TRP HE3 A 7 TRP HBy 1.0 1.836 3.874 429 274 A 13 PHE HD2 A 13 PHE HZ 1.0 1.837 3.875 430 274 A 13 PHE HD1 A 13 PHE HZ 1.0 1.837 3.875 431 275 A 15 ARG HA A 15 ARG H 1.0 1.837 3.879 432 276 A 13 PHE HZ A 11 LYS HB2 1.0 1.838 3.884 433 276 A 13 PHE HZ A 11 LYS HB3 1.0 1.838 3.884 434 277 A 27 THR HG2% A 27 THR H 1.0 1.839 3.887 435 278 A 13 PHE HBx A 14 THR H 1.0 1.839 3.891 436 279 A 15 ARG HB2 A 15 ARG HDy 1.0 1.840 3.898 437 279 A 15 ARG HB3 A 15 ARG HDy 1.0 1.840 3.898 438 280 A 18 GLU HGy A 13 PHE HBx 1.0 1.841 3.905 439 281 A 1 ARG HB2 A 2 PRO HDy 1.0 1.841 3.905 440 281 A 1 ARG HB3 A 2 PRO HDy 1.0 1.841 3.905 441 282 A 26 HIS HBx A 26 HIS HA 1.0 1.841 3.905 442 283 A 3 PHE HD2 A 16 SER HA 1.0 1.842 3.910 443 283 A 3 PHE HD1 A 16 SER HA 1.0 1.842 3.910 444 284 A 30 LYS HA A 30 LYS HBy 1.0 1.845 3.923 445 285 A 4 NLE H A 4 NLE HA 1.0 1.846 3.934 446 286 A 17 ASP H A 17 ASP HBy 1.0 1.846 3.936 447 287 A 21 ARG HBy A 18 GLU HA 1.0 1.848 3.942 448 288 A 22 HIS HBx A 13 PHE HE2 1.0 1.848 3.950 449 288 A 22 HIS HBx A 13 PHE HE1 1.0 1.848 3.950 450 289 A 26 HIS HD2 A 7 TRP HBx 1.0 1.851 3.965 451 290 A 26 HIS HBy A 26 HIS HD2 1.0 1.853 3.977 452 291 A 3 PHE HD2 A 15 ARG HA 1.0 1.853 3.981 453 291 A 3 PHE HD1 A 15 ARG HA 1.0 1.853 3.981 454 292 A 5 CYS H A 5 CYS HA 1.0 1.853 3.981 455 293 A 3 PHE HD2 A 2 PRO HA 1.0 1.853 3.983 456 293 A 3 PHE HD1 A 2 PRO HA 1.0 1.853 3.983 457 294 A 3 PHE HA A 3 PHE H 1.0 1.854 3.984 458 295 A 13 PHE HBy A 15 ARG H 1.0 1.855 3.987 459 296 A 7 TRP HA A 7 TRP HD1 1.0 1.855 3.989 460 297 A 28 GLY HAx A 29 GLU H 1.0 1.855 3.989 461 298 A 23 LYS HD2 A 23 LYS HA 1.0 1.855 3.991 462 298 A 23 LYS HD3 A 23 LYS HA 1.0 1.855 3.991 463 299 A 14 THR HB A 15 ARG H 1.0 1.857 4.001 464 300 A 4 NLE HGx A 5 CYS H 1.0 1.857 4.005 465 300 A 4 NLE HGy A 5 CYS H 1.0 1.857 4.005 466 301 A 13 PHE HD2 A 4 NLE HA 1.0 1.859 4.015 467 301 A 13 PHE HD1 A 4 NLE HA 1.0 1.859 4.015 468 302 A 13 PHE HE2 A 11 LYS HD2 1.0 1.860 4.018 469 302 A 13 PHE HE1 A 11 LYS HD2 1.0 1.860 4.018 470 302 A 13 PHE HE2 A 11 LYS HD3 1.0 1.860 4.018 471 302 A 13 PHE HE1 A 11 LYS HD3 1.0 1.860 4.018 472 303 A 25 THR H A 25 THR HB 1.0 1.860 4.018 473 304 A 2 PRO HDx A 2 PRO HGy 1.0 1.860 4.020 474 305 A 7 TRP HD1 A 7 TRP HBx 1.0 1.860 4.022 475 306 A 13 PHE H A 12 ARG HB2 1.0 1.861 4.031 476 306 A 13 PHE H A 12 ARG HB3 1.0 1.861 4.031 477 307 A 20 GLN H A 17 ASP HA 1.0 1.862 4.038 478 308 A 28 GLY HAy A 29 GLU H 1.0 1.864 4.048 479 309 A 16 SER H A 16 SER HA 1.0 1.865 4.057 480 310 A 15 ARG HB2 A 15 ARG HDx 1.0 1.865 4.059 481 310 A 15 ARG HB3 A 15 ARG HDx 1.0 1.865 4.059 482 311 A 13 PHE HE2 A 19 LEU HA 1.0 1.866 4.066 483 311 A 13 PHE HE1 A 19 LEU HA 1.0 1.866 4.066 484 312 A 29 GLU HA A 29 GLU HBy 1.0 1.867 4.071 485 313 A 4 NLE H A 3 PHE HBx 1.0 1.868 4.080 486 314 A 26 HIS HD2 A 7 TRP HBy 1.0 1.869 4.085 487 315 A 14 THR HB A 14 THR H 1.0 1.870 4.090 488 316 A 19 LEU HBy A 13 PHE HBy 1.0 1.870 4.092 489 317 A 26 HIS HBx A 27 THR H 1.0 1.870 4.094 490 318 A 16 SER HBy A 16 SER H 1.0 1.871 4.097 491 319 A 11 LYS H A 10 GLY HAx 1.0 1.871 4.099 492 320 A 20 GLN HA A 23 LYS H 1.0 1.871 4.101 493 321 A 20 GLN HA A 19 LEU HG 1.0 1.872 4.106 494 322 A 15 ARG HB2 A 18 GLU H 1.0 1.875 4.125 495 322 A 15 ARG HB3 A 18 GLU H 1.0 1.875 4.125 496 323 A 16 SER HBy A 16 SER HA 1.0 1.876 4.128 497 324 A 5 CYS HBx A 11 LYS HB2 1.0 1.876 4.130 498 324 A 5 CYS HBx A 11 LYS HB3 1.0 1.876 4.130 499 325 A 12 ARG HGy A 12 ARG H 1.0 1.876 4.138 500 326 A 26 HIS HD2 A 22 HIS HD2 1.0 1.876 4.138 501 327 A 15 ARG HGy A 15 ARG H 1.0 1.877 4.141 502 328 A 28 GLY H A 27 THR H 1.0 1.877 4.141 503 329 A 19 LEU HDy% A 3 PHE HA 1.0 1.878 4.146 504 330 A 19 LEU HDx% A 5 CYS HBx 1.0 1.880 4.158 505 331 A 12 ARG HE A 12 ARG HGx 1.0 1.883 4.183 506 332 A 16 SER HBx A 16 SER H 1.0 1.883 4.185 507 333 A 14 THR H A 14 THR HA 1.0 1.887 4.209 508 334 A 7 TRP HE3 A 26 HIS HD2 1.0 1.888 4.212 509 335 A 7 TRP H A 9 CYS HBx 1.0 1.888 4.212 510 336 A 11 LYS HD2 A 13 PHE HZ 1.0 1.888 4.220 511 336 A 11 LYS HD3 A 13 PHE HZ 1.0 1.888 4.220 512 337 A 29 GLU HBx A 29 GLU H 1.0 1.889 4.223 513 338 A 13 PHE H A 13 PHE HBx 1.0 1.889 4.227 514 339 A 15 ARG HB2 A 17 ASP H 1.0 1.889 4.227 515 339 A 15 ARG HB3 A 17 ASP H 1.0 1.889 4.227 516 340 A 7 TRP H A 6 THR H 1.0 1.889 4.229 517 341 A 26 HIS H A 26 HIS HD2 1.0 1.891 4.243 518 342 A 14 THR HG2% A 14 THR H 1.0 1.892 4.250 519 343 A 17 ASP HBy A 18 GLU H 1.0 1.892 4.250 520 344 A 21 ARG HA A 24 ARG H 1.0 1.892 4.250 521 345 A 3 PHE HBx A 3 PHE H 1.0 1.892 4.250 522 346 A 12 ARG HA A 5 CYS H 1.0 1.892 4.252 523 347 A 19 LEU H A 16 SER HA 1.0 1.893 4.255 524 348 A 22 HIS HD2 A 23 LYS HG2 1.0 1.895 4.267 525 348 A 22 HIS HD2 A 23 LYS HG3 1.0 1.895 4.267 526 349 A 19 LEU HBy A 20 GLN H 1.0 1.894 4.270 527 350 A 22 HIS HD2 A 13 PHE HZ 1.0 1.898 4.294 528 351 A 24 ARG H A 23 LYS HA 1.0 1.899 4.305 529 352 A 1 ARG HD2 A 1 ARG HGy 1.0 1.899 4.307 530 352 A 1 ARG HD3 A 1 ARG HGy 1.0 1.899 4.307 531 353 A 5 CYS HBy A 11 LYS H 1.0 1.899 4.307 532 354 A 27 THR HB A 27 THR H 1.0 1.900 4.310 533 355 A 18 GLU HA A 19 LEU H 1.0 1.900 4.314 534 356 A 15 ARG HB2 A 15 ARG H 1.0 1.901 4.321 535 356 A 15 ARG HB3 A 15 ARG H 1.0 1.901 4.321 536 357 A 27 THR HA A 27 THR H 1.0 1.901 4.321 537 358 A 21 ARG HA A 24 ARG HD2 1.0 1.901 4.323 538 358 A 21 ARG HA A 24 ARG HD3 1.0 1.901 4.323 539 359 A 22 HIS HBx A 13 PHE HZ 1.0 1.903 4.333 540 360 A 17 ASP H A 16 SER H 1.0 1.903 4.337 541 361 A 14 THR HA A 15 ARG H 1.0 1.904 4.340 542 362 A 12 ARG H A 11 LYS HB2 1.0 1.905 4.353 543 362 A 12 ARG H A 11 LYS HB3 1.0 1.905 4.353 544 363 A 19 LEU HBx A 19 LEU HG 1.0 1.907 4.371 545 364 A 19 LEU HBx A 16 SER HA 1.0 1.909 4.381 546 365 A 6 THR HG2% A 6 THR H 1.0 1.909 4.385 547 366 A 29 GLU HG2 A 29 GLU H 1.0 1.912 4.406 548 366 A 29 GLU HG3 A 29 GLU H 1.0 1.912 4.406 549 367 A 17 ASP HA A 18 GLU H 1.0 1.913 4.417 550 368 A 17 ASP H A 16 SER HBy 1.0 1.913 4.417 551 369 A 26 HIS H A 25 THR HA 1.0 1.914 4.428 552 370 A 10 GLY HAx A 4 NLE HE% 1.0 1.915 4.435 553 371 A 10 GLY HAy A 6 THR H 1.0 1.915 4.439 554 372 A 10 GLY HAy A 4 NLE HE% 1.0 1.915 4.443 555 373 A 30 LYS H A 30 LYS HBy 1.0 1.917 4.451 556 374 A 19 LEU HDx% A 4 NLE HA 1.0 1.917 4.455 557 375 A 26 HIS H A 23 LYS HA 1.0 1.918 4.458 558 376 A 3 PHE HE2 A 16 SER HA 1.0 1.918 4.458 559 376 A 3 PHE HE1 A 16 SER HA 1.0 1.918 4.458 560 377 A 15 ARG HB2 A 16 SER H 1.0 1.918 4.462 561 377 A 15 ARG HB3 A 16 SER H 1.0 1.918 4.462 562 378 A 3 PHE HD2 A 16 SER HBx 1.0 1.920 4.482 563 378 A 3 PHE HD1 A 16 SER HBx 1.0 1.920 4.482 564 379 A 13 PHE HE2 A 13 PHE HBy 1.0 1.920 4.482 565 379 A 13 PHE HE1 A 13 PHE HBy 1.0 1.920 4.482 566 380 A 25 THR H A 23 LYS HA 1.0 1.923 4.507 567 381 A 20 GLN H A 19 LEU HG 1.0 1.926 4.532 568 382 A 27 THR HB A 28 GLY H 1.0 1.926 4.536 569 383 A 24 ARG HA A 27 THR H 1.0 1.926 4.540 570 384 A 19 LEU HA A 22 HIS HD2 1.0 1.927 4.545 571 385 A 19 LEU HBy A 16 SER HA 1.0 1.927 4.553 572 386 A 19 LEU H A 13 PHE HBx 1.0 1.927 4.553 573 387 A 29 GLU HA A 29 GLU HBx 1.0 1.928 4.562 574 388 A 23 LYS H A 22 HIS HA 1.0 1.929 4.571 575 389 A 13 PHE HA A 15 ARG H 1.0 1.932 4.594 576 390 A 6 THR HG2% A 5 CYS HA 1.0 1.935 4.621 577 391 A 5 CYS HBx A 6 THR H 1.0 1.935 4.627 578 392 A 22 HIS HD2 A 5 CYS HA 1.0 1.935 4.627 579 393 A 15 ARG HGy A 18 GLU H 1.0 1.937 4.641 580 394 A 13 PHE H A 4 NLE HA 1.0 1.937 4.641 581 395 A 11 LYS HG2 A 22 HIS HE1 1.0 1.937 4.651 582 395 A 11 LYS HG3 A 22 HIS HE1 1.0 1.937 4.651 583 396 A 26 HIS HBy A 7 TRP HD1 1.0 1.939 4.661 584 397 A 23 LYS HB2 A 26 HIS HD2 1.0 1.940 4.676 585 397 A 23 LYS HB3 A 26 HIS HD2 1.0 1.940 4.676 586 398 A 23 LYS H A 22 HIS HD2 1.0 1.942 4.692 587 399 A 20 GLN H A 19 LEU HA 1.0 1.942 4.692 588 400 A 23 LYS HB2 A 22 HIS HD2 1.0 1.942 4.696 589 400 A 23 LYS HB3 A 22 HIS HD2 1.0 1.942 4.696 590 401 A 23 LYS HD2 A 22 HIS HD2 1.0 1.944 4.718 591 401 A 23 LYS HD3 A 22 HIS HD2 1.0 1.944 4.718 592 402 A 13 PHE HE2 A 5 CYS H 1.0 1.945 4.729 593 402 A 13 PHE HE1 A 5 CYS H 1.0 1.945 4.729 594 403 A 3 PHE HE2 A 3 PHE HBx 1.0 1.946 4.740 595 403 A 3 PHE HE1 A 3 PHE HBx 1.0 1.946 4.740 596 404 A 26 HIS HE1 A 7 TRP HD1 1.0 1.946 4.740 597 405 A 26 HIS HD2 A 23 LYS HG2 1.0 1.947 4.745 598 405 A 26 HIS HD2 A 23 LYS HG3 1.0 1.947 4.745 599 406 A 19 LEU HDx% A 5 CYS H 1.0 1.948 4.768 600 407 A 20 GLN H A 19 LEU HDy% 1.0 1.948 4.768 601 408 A 7 TRP H A 7 TRP HD1 1.0 1.949 4.773 602 409 A 17 ASP HBx A 18 GLU H 1.0 1.949 4.773 603 410 A 24 ARG HA A 25 THR H 1.0 1.950 4.786 604 411 A 13 PHE HE2 A 12 ARG HA 1.0 1.951 4.791 605 411 A 13 PHE HE1 A 12 ARG HA 1.0 1.951 4.791 606 412 A 13 PHE HE2 A 13 PHE HA 1.0 1.951 4.791 607 412 A 13 PHE HE1 A 13 PHE HA 1.0 1.951 4.791 608 413 A 25 THR HG2% A 22 HIS HE1 1.0 1.953 4.809 609 414 A 24 ARG HA A 26 HIS H 1.0 1.954 4.834 610 415 A 13 PHE HZ A 22 HIS HE1 1.0 1.957 4.865 611 416 A 23 LYS HD2 A 26 HIS HD2 1.0 1.957 4.865 612 416 A 23 LYS HD3 A 26 HIS HD2 1.0 1.957 4.865 613 417 A 19 LEU HDx% A 19 LEU H 1.0 1.957 4.871 614 418 A 19 LEU H A 13 PHE HBy 1.0 1.958 4.878 615 419 A 15 ARG HGy A 15 ARG HA 1.0 1.958 4.884 616 420 A 3 PHE HE2 A 16 SER H 1.0 1.960 4.904 617 420 A 3 PHE HE1 A 16 SER H 1.0 1.960 4.904 618 421 A 2 PRO HA A 2 PRO HGx 1.0 1.961 4.925 619 422 A 2 PRO HBx A 3 PHE H 1.0 1.962 4.932 620 423 A 1 ARG HB2 A 2 PRO HDx 1.0 1.963 4.945 621 423 A 1 ARG HB3 A 2 PRO HDx 1.0 1.963 4.945 622 424 A 21 ARG H A 17 ASP HA 1.0 1.965 4.967 623 425 A 26 HIS HE1 A 7 TRP HBx 1.0 1.965 4.989 624 426 A 15 ARG HGx A 14 THR HB 1.0 1.966 5.004 625 427 A 19 LEU HDx% A 13 PHE HBy 1.0 1.966 5.004 626 428 A 5 CYS HBx A 10 GLY H 1.0 1.968 5.020 627 429 A 17 ASP H A 16 SER HBx 1.0 1.969 5.043 628 430 A 27 THR HG2% A 28 GLY H 1.0 1.971 5.059 629 431 A 18 GLU HA A 13 PHE HD2 1.0 1.973 5.083 630 431 A 18 GLU HA A 13 PHE HD1 1.0 1.973 5.083 631 432 A 22 HIS HD2 A 22 HIS HE1 1.0 1.973 5.091 632 433 A 8 ORN HDy A 7 TRP HD1 1.0 1.973 5.099 633 434 A 9 CYS HBy A 7 TRP HD1 1.0 1.973 5.099 634 435 A 6 THR HA A 9 CYS HBx 1.0 1.977 5.161 635 436 A 19 LEU HDy% A 19 LEU H 1.0 1.977 5.161 636 437 A 26 HIS H A 25 THR HB 1.0 1.980 5.216 637 438 A 26 HIS HE1 A 26 HIS HD2 1.0 1.984 5.286 638 439 A 20 GLN H A 16 SER HA 1.0 1.985 5.339 639 440 A 17 ASP H A 16 SER HA 1.0 1.989 5.437 640 441 A 20 GLN H A 18 GLU H 1.0 1.993 5.535 641 442 A 2 PRO HA A 2 PRO HGy 1.0 1.995 5.625 642 443 A 17 ASP HA A 19 LEU H 1.0 1.996 5.670 643 444 A 26 HIS HD2 A 22 HIS HE1 1.0 1.998 5.778 644 445 A 12 ARG HB2 A 2 PRO HGx 1.0 2.000 6.046 645 445 A 12 ARG HB3 A 2 PRO HGx 1.0 2.000 6.046 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 13 PHE O 1.0 1.8 2.0 2 2 A 13 PHE O A 3 PHE N 1.0 2.7 3.1 3 3 A 13 PHE H A 3 PHE O 1.0 1.8 2.0 4 4 A 3 PHE O A 13 PHE N 1.0 2.7 3.1 5 5 A 5 CYS H A 11 LYS O 1.0 1.8 2.0 6 6 A 11 LYS O A 5 CYS N 1.0 2.7 3.1 7 7 A 9 CYS H A 7 TRP O 1.0 1.8 2.0 8 8 A 7 TRP O A 9 CYS N 1.0 2.7 3.1 9 9 A 19 LEU H A 15 ARG O 1.0 1.8 2.0 10 10 A 15 ARG O A 19 LEU N 1.0 2.7 3.1 11 11 A 20 GLN H A 16 SER O 1.0 1.8 2.0 12 12 A 16 SER O A 20 GLN N 1.0 2.7 3.1 13 13 A 21 ARG H A 17 ASP O 1.0 1.8 2.0 14 14 A 17 ASP O A 21 ARG N 1.0 2.7 3.1 15 15 A 22 HIS H A 18 GLU O 1.0 1.8 2.0 16 16 A 18 GLU O A 22 HIS N 1.0 2.7 3.1 17 17 A 23 LYS H A 19 LEU O 1.0 1.8 2.0 18 18 A 19 LEU O A 23 LYS N 1.0 2.7 3.1 19 19 A 24 ARG H A 20 GLN O 1.0 1.8 2.0 20 20 A 20 GLN O A 24 ARG N 1.0 2.7 3.1 21 21 A 24 ARG H A 21 ARG O 1.0 1.8 2.0 22 22 A 24 ARG N A 21 ARG O 1.0 2.7 3.1 23 23 A 25 THR H A 22 HIS O 1.0 1.8 2.0 24 24 A 22 HIS O A 25 THR N 1.0 2.7 3.1 25 25 A 26 HIS H A 23 LYS O 1.0 1.8 2.0 26 26 A 23 LYS O A 26 HIS N 1.0 2.7 3.1 27 27 A 27 THR H A 23 LYS O 1.0 1.8 2.0 28 28 A 23 LYS O A 27 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 3 PHE C A 4 NLE N A 4 NLE CA A 4 NLE C 1.0 -160.0 -80.0 PHI 3 3 A 11 LYS C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -160.0 -80.0 PHI 4 4 A 14 THR C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -160.0 -80.0 PHI 5 5 A 17 ASP C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -90.0 -40.0 PHI 6 6 A 18 GLU C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -90.0 -40.0 PHI stop_ save_