data_nef_c30641_6pv0 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 6PV0 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 DPR N 1 8 DPR 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 DPR middle -H,-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 4.173 0.001 A 1 ARG HB2 H 1 1.754 0.000 A 1 ARG HB3 H 1 1.754 0.000 A 1 ARG HD2 H 1 3.122 0.000 A 1 ARG HD3 H 1 3.122 0.000 A 1 ARG HG2 H 1 1.585 0.000 A 1 ARG HG3 H 1 1.585 0.000 A 2 PRO HA H 1 4.497 0.001 A 2 PRO HBy H 1 2.193 0.002 A 2 PRO HBx H 1 1.635 0.001 A 2 PRO HDy H 1 3.694 0.003 A 2 PRO HDx H 1 3.578 0.002 A 2 PRO HGy H 1 1.955 0.004 A 2 PRO HGx H 1 1.868 0.000 A 3 PHE H H 1 8.542 0.000 A 3 PHE HA H 1 4.633 0.001 A 3 PHE HBy H 1 3.065 0.002 A 3 PHE HBx H 1 2.965 0.001 A 3 PHE HD1 H 1 7.179 0.001 A 3 PHE HD2 H 1 7.179 0.001 A 3 PHE HE1 H 1 7.428 0.000 A 3 PHE HE2 H 1 7.428 0.000 A 4 NLE H H 1 8.403 0.002 A 4 NLE HA H 1 5.044 0.003 A 4 NLE HBx H 1 1.520 0.001 A 4 NLE HBy H 1 1.689 0.006 A 4 NLE HDx H 1 1.195 0.003 A 4 NLE HDy H 1 1.195 0.003 A 4 NLE HE% H 1 0.796 0.003 A 4 NLE HGx H 1 1.063 0.000 A 4 NLE HGy H 1 1.096 0.000 A 5 CYS H H 1 9.226 0.000 A 5 CYS HA H 1 4.550 0.000 A 5 CYS HBy H 1 3.431 0.000 A 5 CYS HBx H 1 2.916 0.002 A 6 THR HA H 1 4.643 0.001 A 6 THR HB H 1 4.696 0.000 A 6 THR HG2% H 1 1.223 0.000 A 7 TRP H H 1 8.855 0.001 A 7 TRP HA H 1 4.559 0.001 A 7 TRP HBy H 1 2.948 0.001 A 7 TRP HBx H 1 2.641 0.002 A 7 TRP HD1 H 1 6.952 0.001 A 7 TRP HE1 H 1 10.079 0.001 A 7 TRP HE3 H 1 7.018 0.001 A 7 TRP HH2 H 1 7.192 0.000 A 7 TRP HZ2 H 1 7.438 0.000 A 7 TRP HZ3 H 1 7.075 0.002 A 8 DPR HA H 1 3.659 0.004 A 8 DPR HBy H 1 1.879 0.004 A 8 DPR HBx H 1 1.609 0.001 A 8 DPR HDy H 1 3.503 0.002 A 8 DPR HDx H 1 2.470 0.001 A 8 DPR HGy H 1 1.636 0.005 A 8 DPR HGx H 1 0.903 0.001 A 9 GLY H H 1 8.107 0.002 A 9 GLY HAy H 1 4.076 0.005 A 9 GLY HAx H 1 3.686 0.000 A 10 CYS H H 1 8.201 0.000 A 10 CYS HA H 1 4.058 0.000 A 10 CYS HBy H 1 3.486 0.000 A 10 CYS HBx H 1 3.261 0.001 A 11 GLY H H 1 8.427 0.000 A 11 GLY HA2 H 1 3.928 0.000 A 11 GLY HA3 H 1 3.928 0.000 A 12 LYS H H 1 8.143 0.000 A 12 LYS HA H 1 3.990 0.002 A 12 LYS HB2 H 1 1.482 0.002 A 12 LYS HB3 H 1 1.482 0.002 A 12 LYS HD2 H 1 1.437 0.000 A 12 LYS HD3 H 1 1.437 0.000 A 12 LYS HE2 H 1 2.996 0.001 A 12 LYS HE3 H 1 2.996 0.001 A 12 LYS HGy H 1 1.324 0.000 A 12 LYS HGx H 1 1.276 0.002 A 13 ARG H H 1 7.808 0.001 A 13 ARG HA H 1 5.078 0.001 A 13 ARG HB2 H 1 1.506 0.002 A 13 ARG HB3 H 1 1.506 0.002 A 13 ARG HD2 H 1 3.106 0.002 A 13 ARG HD3 H 1 3.106 0.002 A 13 ARG HGy H 1 1.663 0.000 A 13 ARG HGx H 1 1.442 0.002 A 14 PHE H H 1 8.774 0.000 A 14 PHE HA H 1 4.871 0.002 A 14 PHE HBy H 1 3.585 0.006 A 14 PHE HBx H 1 2.641 0.000 A 14 PHE HD1 H 1 7.195 0.001 A 14 PHE HD2 H 1 7.195 0.001 A 14 PHE HE1 H 1 6.909 0.001 A 14 PHE HE2 H 1 6.909 0.001 A 14 PHE HZ H 1 6.223 0.002 A 15 THR H H 1 9.170 0.002 A 15 THR HA H 1 4.563 0.002 A 15 THR HB H 1 4.463 0.003 A 15 THR HG2% H 1 1.334 0.000 A 16 ARG H H 1 7.740 0.001 A 16 ARG HA H 1 4.716 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 3.312 0.002 A 16 ARG HDx H 1 3.261 0.001 A 16 ARG HGy H 1 1.671 0.001 A 16 ARG HGx H 1 1.645 0.001 A 17 SER H H 1 8.525 0.000 A 17 SER HA H 1 3.095 0.001 A 17 SER HBy H 1 3.517 0.000 A 17 SER HBx H 1 3.396 0.001 A 18 ASP H H 1 8.717 0.000 A 18 ASP HA H 1 4.207 0.001 A 18 ASP HBy H 1 2.675 0.000 A 18 ASP HBx H 1 2.592 0.000 A 19 GLU H H 1 7.047 0.000 A 19 GLU HA H 1 3.853 0.001 A 19 GLU HBy H 1 2.258 0.000 A 19 GLU HBx H 1 2.083 0.000 A 19 GLU HG2 H 1 2.308 0.000 A 19 GLU HG3 H 1 2.308 0.000 A 20 LEU H H 1 6.978 0.000 A 20 LEU HA H 1 3.234 0.003 A 20 LEU HBy H 1 1.992 0.004 A 20 LEU HBx H 1 1.282 0.000 A 20 LEU HDx% H 1 1.069 0.001 A 20 LEU HDy% H 1 1.100 0.002 A 20 LEU HG H 1 1.532 0.007 A 21 GLN H H 1 8.143 0.001 A 21 GLN HA H 1 3.859 0.000 A 21 GLN HB2 H 1 2.071 0.003 A 21 GLN HB3 H 1 2.071 0.003 A 21 GLN HE2x H 1 6.919 0.000 A 21 GLN HE2y H 1 7.334 0.000 A 21 GLN HGy H 1 2.416 0.000 A 21 GLN HGx H 1 2.389 0.000 A 22 ARG H H 1 7.676 0.000 A 22 ARG HA H 1 3.892 0.001 A 22 ARG HBy H 1 1.795 0.000 A 22 ARG HBx H 1 1.755 0.000 A 22 ARG HDy H 1 3.228 0.000 A 22 ARG HDx H 1 3.141 0.000 A 22 ARG HG2 H 1 1.510 0.000 A 22 ARG HG3 H 1 1.510 0.000 A 23 HIS H H 1 7.678 0.000 A 23 HIS HA H 1 4.240 0.002 A 23 HIS HBy H 1 3.001 0.001 A 23 HIS HBx H 1 2.892 0.004 A 23 HIS HD2 H 1 7.102 0.000 A 23 HIS HE1 H 1 7.938 0.000 A 24 LYS H H 1 8.795 0.000 A 24 LYS HA H 1 3.637 0.001 A 24 LYS HB2 H 1 1.947 0.001 A 24 LYS HB3 H 1 1.947 0.001 A 24 LYS HD2 H 1 1.795 0.000 A 24 LYS HD3 H 1 1.795 0.000 A 24 LYS HE2 H 1 3.177 0.000 A 24 LYS HE3 H 1 3.177 0.000 A 24 LYS HG2 H 1 1.845 0.000 A 24 LYS HG3 H 1 1.845 0.000 A 25 ARG H H 1 7.043 0.002 A 25 ARG HA H 1 4.101 0.001 A 25 ARG HB2 H 1 1.789 0.003 A 25 ARG HB3 H 1 1.789 0.003 A 25 ARG HD2 H 1 3.166 0.000 A 25 ARG HD3 H 1 3.166 0.000 A 25 ARG HGy H 1 1.886 0.000 A 25 ARG HGx H 1 1.634 0.000 A 26 THR H H 1 7.660 0.000 A 26 THR HA H 1 4.027 0.001 A 26 THR HB H 1 3.948 0.000 A 26 THR HG2% H 1 1.122 0.001 A 27 HIS H H 1 6.893 0.000 A 27 HIS HA H 1 4.279 0.002 A 27 HIS HBy H 1 2.154 0.001 A 27 HIS HBx H 1 1.022 0.004 A 27 HIS HD2 H 1 6.321 0.000 A 27 HIS HE1 H 1 8.061 0.000 A 28 THR H H 1 7.419 0.000 A 28 THR HA H 1 4.203 0.000 A 28 THR HB H 1 4.274 0.000 A 28 THR HG2% H 1 1.119 0.001 A 29 GLY H H 1 8.197 0.000 A 29 GLY HAy H 1 4.048 0.000 A 29 GLY HAx H 1 3.952 0.000 A 30 GLU H H 1 8.168 0.001 A 30 GLU HA H 1 4.256 0.001 A 30 GLU HBy H 1 2.050 0.003 A 30 GLU HBx H 1 1.936 0.002 A 30 GLU HG2 H 1 2.251 0.002 A 30 GLU HG3 H 1 2.251 0.002 A 31 LYS H H 1 8.441 0.001 A 31 LYS HA H 1 4.263 0.001 A 31 LYS HBy H 1 1.856 0.002 A 31 LYS HBx H 1 1.771 0.001 A 31 LYS HD2 H 1 1.676 0.001 A 31 LYS HD3 H 1 1.676 0.001 A 31 LYS HE2 H 1 2.998 0.001 A 31 LYS HE3 H 1 2.998 0.001 A 31 LYS HGy H 1 1.470 0.000 A 31 LYS HGx H 1 1.418 0.000 A 32 NH2 HNx H 1 7.080 0.000 A 32 NH2 HNy H 1 7.551 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 25 ARG HGy A 25 ARG HGx 1.0 1.367 2.133 2 1 A 8 DPR HBy A 8 DPR HBx 1.0 1.367 2.133 3 2 A 3 PHE HE1 A 3 PHE HD2 1.0 1.408 2.238 4 2 A 7 TRP HH2 A 7 TRP HZ2 1.0 1.408 2.238 5 2 A 3 PHE HE2 A 3 PHE HD2 1.0 1.408 2.238 6 2 A 3 PHE HD1 A 3 PHE HE2 1.0 1.408 2.238 7 2 A 3 PHE HD1 A 3 PHE HE1 1.0 1.408 2.238 8 3 A 16 ARG HB3 A 16 ARG HGy 1.0 1.446 2.342 9 3 A 16 ARG HB2 A 16 ARG HGy 1.0 1.446 2.342 10 3 A 16 ARG HGx A 16 ARG HB2 1.0 1.446 2.342 11 3 A 16 ARG HGx A 16 ARG HB3 1.0 1.446 2.342 12 4 A 19 GLU HBy A 19 GLU HA 1.0 1.467 2.405 13 4 A 21 GLN HA A 21 GLN HB2 1.0 1.467 2.405 14 4 A 21 GLN HB3 A 21 GLN HA 1.0 1.467 2.405 15 5 A 24 LYS HD3 A 24 LYS HE3 1.0 1.600 2.822 16 5 A 25 ARG HD3 A 25 ARG HB2 1.0 1.600 2.822 17 5 A 25 ARG HB3 A 25 ARG HD2 1.0 1.600 2.822 18 5 A 25 ARG HB3 A 25 ARG HD3 1.0 1.600 2.822 19 5 A 24 LYS HD3 A 24 LYS HE2 1.0 1.600 2.822 20 5 A 25 ARG HD2 A 25 ARG HB2 1.0 1.600 2.822 21 5 A 24 LYS HE2 A 24 LYS HD2 1.0 1.600 2.822 22 5 A 24 LYS HE3 A 24 LYS HD2 1.0 1.600 2.822 23 6 A 21 GLN HB3 A 21 GLN HGy 1.0 1.623 2.903 24 6 A 21 GLN HB2 A 21 GLN HGy 1.0 1.623 2.903 25 6 A 21 GLN HB2 A 21 GLN HGx 1.0 1.623 2.903 26 6 A 21 GLN HB3 A 21 GLN HGx 1.0 1.623 2.903 27 7 A 22 ARG HBy A 23 HIS H 1.0 1.657 3.031 28 7 A 22 ARG HBy A 22 ARG H 1.0 1.657 3.031 29 8 A 14 PHE HE1 A 23 HIS HBy 1.0 1.668 3.074 30 8 A 14 PHE HE2 A 23 HIS HBy 1.0 1.668 3.074 31 8 A 5 CYS HBy A 14 PHE HE2 1.0 1.668 3.074 32 8 A 5 CYS HBy A 14 PHE HE1 1.0 1.668 3.074 33 9 A 16 ARG HGy A 16 ARG H 1.0 1.675 3.101 34 9 A 16 ARG HGx A 16 ARG H 1.0 1.675 3.101 35 10 A 29 GLY HAx A 29 GLY H 1.0 1.680 3.122 36 10 A 10 CYS HA A 10 CYS H 1.0 1.680 3.122 37 11 A 25 ARG HB2 A 26 THR H 1.0 1.737 3.365 38 11 A 25 ARG HB3 A 26 THR H 1.0 1.737 3.365 39 11 A 22 ARG H A 22 ARG HBx 1.0 1.737 3.365 40 12 A 28 THR H A 28 THR HB 1.0 1.738 3.366 41 12 A 27 HIS HA A 28 THR H 1.0 1.738 3.366 42 13 A 20 LEU HBy A 14 PHE HD2 1.0 1.753 3.433 43 13 A 20 LEU HBy A 14 PHE HD1 1.0 1.753 3.433 44 13 A 3 PHE HD2 A 20 LEU HBy 1.0 1.753 3.433 45 13 A 3 PHE HD1 A 20 LEU HBy 1.0 1.753 3.433 46 14 A 25 ARG HB3 A 24 LYS H 1.0 1.781 3.569 47 14 A 25 ARG HB2 A 24 LYS H 1.0 1.781 3.569 48 14 A 24 LYS HD2 A 24 LYS H 1.0 1.781 3.569 49 14 A 24 LYS HD3 A 24 LYS H 1.0 1.781 3.569 50 15 A 21 GLN HA A 22 ARG H 1.0 1.807 3.707 51 15 A 19 GLU HA A 23 HIS H 1.0 1.807 3.707 52 15 A 19 GLU HA A 22 ARG H 1.0 1.807 3.707 53 16 A 31 LYS H A 31 LYS HA 1.0 1.809 3.719 54 16 A 31 LYS H A 30 GLU HA 1.0 1.809 3.719 55 17 A 20 LEU HBy A 21 GLN H 1.0 1.811 3.727 56 17 A 12 LYS HGy A 12 LYS H 1.0 1.811 3.727 57 18 A 3 PHE HE1 A 20 LEU HDy% 1.0 1.818 3.772 58 18 A 3 PHE HE2 A 20 LEU HDy% 1.0 1.818 3.772 59 18 A 28 THR H A 28 THR HG2% 1.0 1.818 3.772 60 19 A 21 GLN HB2 A 19 GLU H 1.0 1.822 3.794 61 19 A 21 GLN HB3 A 19 GLU H 1.0 1.822 3.794 62 19 A 19 GLU HBy A 19 GLU H 1.0 1.822 3.794 63 20 A 14 PHE HD1 A 20 LEU HBx 1.0 1.849 3.953 64 20 A 14 PHE HD2 A 20 LEU HBx 1.0 1.849 3.953 65 20 A 3 PHE HD2 A 20 LEU HBx 1.0 1.849 3.953 66 20 A 3 PHE HD1 A 20 LEU HBx 1.0 1.849 3.953 67 21 A 6 THR HA A 4 NLE HGy 1.0 1.860 4.024 68 21 A 20 LEU HDy% A 3 PHE HA 1.0 1.860 4.024 69 22 A 5 CYS H A 20 LEU HDx% 1.0 1.860 4.026 70 22 A 4 NLE HGx A 5 CYS H 1.0 1.860 4.026 71 23 A 22 ARG H A 22 ARG HDx 1.0 1.868 4.078 72 23 A 23 HIS H A 20 LEU HA 1.0 1.868 4.078 73 23 A 22 ARG H A 20 LEU HA 1.0 1.868 4.078 74 24 A 20 LEU HBy A 3 PHE HBy 1.0 1.875 4.127 75 24 A 12 LYS HGy A 12 LYS HE2 1.0 1.875 4.127 76 24 A 12 LYS HGy A 12 LYS HE3 1.0 1.875 4.127 77 25 A 12 LYS HE2 A 13 ARG HB3 1.0 1.907 4.369 78 25 A 12 LYS HE2 A 13 ARG HB2 1.0 1.907 4.369 79 25 A 12 LYS HE3 A 13 ARG HB3 1.0 1.907 4.369 80 25 A 23 HIS HBx A 22 ARG HG3 1.0 1.907 4.369 81 25 A 23 HIS HBx A 22 ARG HG2 1.0 1.907 4.369 82 25 A 20 LEU HG A 23 HIS HBx 1.0 1.907 4.369 83 25 A 12 LYS HE3 A 13 ARG HB2 1.0 1.907 4.369 84 26 A 29 GLY H A 31 LYS H 1.0 1.927 4.549 85 26 A 10 CYS H A 11 GLY H 1.0 1.927 4.549 86 27 A 2 PRO HBy A 2 PRO HDx 1.0 1.977 5.163 87 27 A 8 DPR HGx A 8 DPR HA 1.0 1.977 5.163 88 28 A 25 ARG HGy A 25 ARG HB2 1.0 1.370 2.138 89 28 A 25 ARG HGy A 25 ARG HB3 1.0 1.370 2.138 90 29 A 10 CYS HBy A 10 CYS HBx 1.0 1.374 2.152 91 30 A 8 DPR HDy A 8 DPR HDx 1.0 1.398 2.214 92 31 A 5 CYS HBy A 5 CYS HBx 1.0 1.404 2.228 93 32 A 7 TRP HBy A 7 TRP HBx 1.0 1.407 2.239 94 33 A 27 HIS HBy A 27 HIS HBx 1.0 1.419 2.269 95 34 A 2 PRO HDx A 2 PRO HDy 1.0 1.433 2.305 96 35 A 9 GLY HAy A 9 GLY HAx 1.0 1.433 2.309 97 36 A 14 PHE HBy A 14 PHE HBx 1.0 1.438 2.320 98 37 A 14 PHE HE2 A 14 PHE HD1 1.0 1.454 2.364 99 37 A 14 PHE HE1 A 14 PHE HD2 1.0 1.454 2.364 100 37 A 14 PHE HE1 A 14 PHE HD1 1.0 1.454 2.364 101 37 A 14 PHE HE2 A 14 PHE HD2 1.0 1.454 2.364 102 38 A 17 SER HBy A 17 SER HBx 1.0 1.457 2.373 103 39 A 8 DPR HGx A 8 DPR HGy 1.0 1.464 2.392 104 40 A 7 TRP HH2 A 7 TRP HZ3 1.0 1.467 2.405 105 41 A 20 LEU HBy A 20 LEU HBx 1.0 1.472 2.416 106 42 A 20 LEU HDx% A 20 LEU HG 1.0 1.525 2.575 107 43 A 8 DPR HDy A 7 TRP HA 1.0 1.525 2.575 108 44 A 14 PHE HE2 A 14 PHE HZ 1.0 1.531 2.593 109 44 A 14 PHE HE1 A 14 PHE HZ 1.0 1.531 2.593 110 45 A 5 CYS HBy A 5 CYS HA 1.0 1.532 2.600 111 46 A 12 LYS HA A 13 ARG H 1.0 1.534 2.604 112 47 A 4 NLE HDy A 4 NLE HE% 1.0 1.541 2.627 113 47 A 4 NLE HE% A 4 NLE HDx 1.0 1.541 2.627 114 48 A 6 THR HB A 6 THR HG2% 1.0 1.541 2.627 115 49 A 2 PRO HBy A 2 PRO HBx 1.0 1.544 2.636 116 50 A 1 ARG HD3 A 1 ARG HB2 1.0 1.555 2.673 117 50 A 1 ARG HD2 A 1 ARG HB2 1.0 1.555 2.673 118 50 A 1 ARG HB3 A 1 ARG HD2 1.0 1.555 2.673 119 50 A 1 ARG HB3 A 1 ARG HD3 1.0 1.555 2.673 120 51 A 20 LEU HDy% A 20 LEU HG 1.0 1.557 2.677 121 52 A 11 GLY H A 11 GLY HA2 1.0 1.564 2.700 122 52 A 11 GLY H A 11 GLY HA3 1.0 1.564 2.700 123 53 A 8 DPR HDx A 7 TRP HA 1.0 1.568 2.712 124 54 A 26 THR HG2% A 26 THR HB 1.0 1.573 2.733 125 55 A 14 PHE HD2 A 14 PHE HBy 1.0 1.577 2.743 126 55 A 14 PHE HD1 A 14 PHE HBy 1.0 1.577 2.743 127 56 A 13 ARG HA A 14 PHE H 1.0 1.586 2.772 128 57 A 31 LYS HE3 A 31 LYS HD2 1.0 1.590 2.786 129 57 A 31 LYS HE2 A 31 LYS HD2 1.0 1.590 2.786 130 57 A 31 LYS HD3 A 31 LYS HE2 1.0 1.590 2.786 131 57 A 31 LYS HD3 A 31 LYS HE3 1.0 1.590 2.786 132 58 A 3 PHE HD2 A 3 PHE HBx 1.0 1.590 2.786 133 58 A 3 PHE HD1 A 3 PHE HBx 1.0 1.590 2.786 134 59 A 3 PHE HA A 4 NLE H 1.0 1.590 2.786 135 60 A 3 PHE HD2 A 3 PHE HBy 1.0 1.595 2.803 136 60 A 3 PHE HD1 A 3 PHE HBy 1.0 1.595 2.803 137 61 A 28 THR HB A 28 THR HG2% 1.0 1.600 2.822 138 62 A 13 ARG HB2 A 13 ARG HD2 1.0 1.602 2.830 139 62 A 13 ARG HB2 A 13 ARG HD3 1.0 1.602 2.830 140 62 A 13 ARG HB3 A 13 ARG HD2 1.0 1.602 2.830 141 62 A 13 ARG HB3 A 13 ARG HD3 1.0 1.602 2.830 142 63 A 18 ASP HA A 18 ASP HBx 1.0 1.602 2.830 143 64 A 14 PHE HD2 A 14 PHE HBx 1.0 1.603 2.833 144 64 A 14 PHE HD1 A 14 PHE HBx 1.0 1.603 2.833 145 65 A 5 CYS H A 4 NLE HA 1.0 1.603 2.833 146 66 A 24 LYS HA A 27 HIS HD2 1.0 1.607 2.845 147 67 A 18 ASP HA A 18 ASP HBy 1.0 1.607 2.849 148 68 A 8 DPR HBx A 8 DPR HA 1.0 1.611 2.861 149 69 A 23 HIS HBy A 23 HIS HA 1.0 1.617 2.883 150 70 A 13 ARG HD2 A 13 ARG HGx 1.0 1.621 2.895 151 70 A 13 ARG HD3 A 13 ARG HGx 1.0 1.621 2.895 152 71 A 8 DPR HGx A 8 DPR HDx 1.0 1.625 2.913 153 72 A 21 GLN HB2 A 18 ASP HA 1.0 1.628 2.922 154 72 A 21 GLN HB3 A 18 ASP HA 1.0 1.628 2.922 155 73 A 7 TRP HD1 A 7 TRP HE1 1.0 1.628 2.922 156 74 A 25 ARG HB2 A 25 ARG H 1.0 1.628 2.922 157 74 A 25 ARG HB3 A 25 ARG H 1.0 1.628 2.922 158 75 A 2 PRO HDx A 1 ARG HA 1.0 1.629 2.927 159 76 A 15 THR HB A 15 THR HG2% 1.0 1.629 2.927 160 77 A 6 THR HA A 6 THR HG2% 1.0 1.633 2.941 161 78 A 5 CYS HBy A 23 HIS HD2 1.0 1.638 2.956 162 79 A 26 THR HG2% A 26 THR HA 1.0 1.640 2.966 163 80 A 14 PHE HD2 A 14 PHE HA 1.0 1.645 2.987 164 80 A 14 PHE HD1 A 14 PHE HA 1.0 1.645 2.987 165 81 A 24 LYS HA A 24 LYS HB2 1.0 1.650 3.002 166 81 A 24 LYS HA A 24 LYS HB3 1.0 1.650 3.002 167 82 A 20 LEU HDx% A 20 LEU HA 1.0 1.650 3.002 168 83 A 25 ARG HGx A 25 ARG HA 1.0 1.652 3.014 169 84 A 7 TRP HBx A 7 TRP H 1.0 1.652 3.014 170 85 A 2 PRO HBx A 2 PRO HA 1.0 1.652 3.014 171 86 A 13 ARG HB2 A 13 ARG HA 1.0 1.654 3.020 172 86 A 13 ARG HB3 A 13 ARG HA 1.0 1.654 3.020 173 87 A 7 TRP HBy A 7 TRP H 1.0 1.654 3.020 174 88 A 23 HIS H A 23 HIS HBx 1.0 1.654 3.020 175 89 A 20 LEU HBy A 20 LEU HA 1.0 1.655 3.025 176 90 A 20 LEU HBx A 20 LEU H 1.0 1.657 3.031 177 91 A 10 CYS HA A 10 CYS HBx 1.0 1.662 3.048 178 92 A 12 LYS HGy A 12 LYS HA 1.0 1.662 3.048 179 93 A 14 PHE HD2 A 20 LEU HDx% 1.0 1.662 3.048 180 93 A 14 PHE HD1 A 20 LEU HDx% 1.0 1.662 3.048 181 94 A 3 PHE HE2 A 16 ARG HA 1.0 1.663 3.055 182 94 A 3 PHE HE1 A 16 ARG HA 1.0 1.663 3.055 183 95 A 10 CYS H A 10 CYS HBx 1.0 1.663 3.055 184 96 A 13 ARG HA A 13 ARG HGx 1.0 1.665 3.061 185 97 A 20 LEU HBx A 20 LEU HG 1.0 1.665 3.061 186 98 A 19 GLU HA A 19 GLU HBx 1.0 1.667 3.067 187 99 A 12 LYS H A 12 LYS HB2 1.0 1.667 3.067 188 99 A 12 LYS H A 12 LYS HB3 1.0 1.667 3.067 189 100 A 10 CYS H A 10 CYS HBy 1.0 1.670 3.080 190 101 A 21 GLN HB2 A 21 GLN H 1.0 1.677 3.107 191 101 A 21 GLN HB3 A 21 GLN H 1.0 1.677 3.107 192 102 A 24 LYS H A 24 LYS HB2 1.0 1.677 3.111 193 102 A 24 LYS H A 24 LYS HB3 1.0 1.677 3.111 194 103 A 5 CYS HBy A 20 LEU HDx% 1.0 1.680 3.120 195 104 A 3 PHE HA A 3 PHE HBx 1.0 1.685 3.141 196 105 A 27 HIS HA A 27 HIS HBy 1.0 1.685 3.141 197 106 A 19 GLU H A 19 GLU HBx 1.0 1.686 3.146 198 107 A 12 LYS HA A 12 LYS HB2 1.0 1.688 3.152 199 107 A 12 LYS HA A 12 LYS HB3 1.0 1.688 3.152 200 108 A 13 ARG HB2 A 13 ARG H 1.0 1.688 3.154 201 108 A 13 ARG HB3 A 13 ARG H 1.0 1.688 3.154 202 109 A 7 TRP HBy A 7 TRP HA 1.0 1.689 3.155 203 110 A 25 ARG HB2 A 25 ARG HA 1.0 1.689 3.155 204 110 A 25 ARG HB3 A 25 ARG HA 1.0 1.689 3.155 205 111 A 14 PHE HBy A 14 PHE H 1.0 1.689 3.155 206 112 A 20 LEU HDx% A 5 CYS HA 1.0 1.690 3.160 207 113 A 16 ARG HGx A 16 ARG HDy 1.0 1.690 3.162 208 114 A 14 PHE HBx A 14 PHE HA 1.0 1.691 3.163 209 115 A 28 THR HG2% A 28 THR HA 1.0 1.691 3.167 210 116 A 4 NLE HA A 4 NLE HBx 1.0 1.692 3.170 211 117 A 2 PRO HA A 3 PHE H 1.0 1.693 3.171 212 118 A 16 ARG H A 14 PHE HBy 1.0 1.694 3.174 213 119 A 23 HIS HBx A 23 HIS HA 1.0 1.694 3.180 214 120 A 27 HIS HBx A 27 HIS H 1.0 1.695 3.181 215 121 A 8 DPR HDy A 8 DPR HGy 1.0 1.696 3.182 216 122 A 26 THR H A 26 THR HG2% 1.0 1.698 3.194 217 123 A 2 PRO HDy A 1 ARG HA 1.0 1.699 3.197 218 124 A 31 LYS HA A 31 LYS HBy 1.0 1.700 3.202 219 125 A 8 DPR HA A 9 GLY H 1.0 1.701 3.205 220 126 A 3 PHE HD2 A 3 PHE HA 1.0 1.702 3.212 221 126 A 3 PHE HD1 A 3 PHE HA 1.0 1.702 3.212 222 127 A 27 HIS HBx A 27 HIS HD2 1.0 1.703 3.215 223 128 A 2 PRO HDx A 2 PRO HGx 1.0 1.704 3.220 224 129 A 16 ARG HGx A 16 ARG HA 1.0 1.705 3.223 225 130 A 20 LEU HDx% A 23 HIS HD2 1.0 1.709 3.237 226 131 A 22 ARG HBy A 22 ARG HDx 1.0 1.709 3.237 227 132 A 4 NLE H A 4 NLE HBx 1.0 1.712 3.256 228 133 A 25 ARG HGy A 25 ARG H 1.0 1.713 3.257 229 134 A 12 LYS HA A 12 LYS HGx 1.0 1.714 3.260 230 135 A 20 LEU HDy% A 3 PHE HBx 1.0 1.716 3.268 231 136 A 5 CYS H A 5 CYS HBx 1.0 1.718 3.280 232 137 A 20 LEU HBy A 20 LEU H 1.0 1.719 3.281 233 138 A 19 GLU HBy A 14 PHE HD2 1.0 1.720 3.286 234 138 A 19 GLU HBy A 14 PHE HD1 1.0 1.720 3.286 235 139 A 3 PHE HD1 A 20 LEU HDy% 1.0 1.721 3.287 236 139 A 3 PHE HD2 A 20 LEU HDy% 1.0 1.721 3.287 237 140 A 20 LEU HDy% A 20 LEU HBx 1.0 1.720 3.288 238 141 A 20 LEU HBx A 20 LEU HDx% 1.0 1.721 3.291 239 142 A 14 PHE HE2 A 12 LYS HGy 1.0 1.724 3.308 240 142 A 14 PHE HE1 A 12 LYS HGy 1.0 1.724 3.308 241 143 A 5 CYS HBx A 5 CYS HA 1.0 1.728 3.320 242 144 A 15 THR HG2% A 15 THR HA 1.0 1.728 3.324 243 145 A 23 HIS HBx A 23 HIS HD2 1.0 1.732 3.340 244 146 A 14 PHE HBx A 19 GLU HBx 1.0 1.736 3.358 245 147 A 14 PHE HD2 A 14 PHE H 1.0 1.736 3.358 246 147 A 14 PHE HD1 A 14 PHE H 1.0 1.736 3.358 247 148 A 26 THR H A 27 HIS H 1.0 1.737 3.359 248 149 A 1 ARG HD2 A 1 ARG HG2 1.0 1.738 3.366 249 149 A 1 ARG HD3 A 1 ARG HG2 1.0 1.738 3.366 250 149 A 1 ARG HD2 A 1 ARG HG3 1.0 1.738 3.366 251 149 A 1 ARG HD3 A 1 ARG HG3 1.0 1.738 3.366 252 150 A 19 GLU H A 19 GLU HG2 1.0 1.738 3.366 253 150 A 19 GLU H A 19 GLU HG3 1.0 1.738 3.366 254 151 A 7 TRP HBx A 7 TRP HD1 1.0 1.738 3.368 255 152 A 21 GLN HA A 21 GLN HGx 1.0 1.738 3.370 256 153 A 20 LEU HBx A 17 SER HA 1.0 1.741 3.379 257 154 A 25 ARG HGy A 25 ARG HD2 1.0 1.741 3.383 258 154 A 25 ARG HGy A 25 ARG HD3 1.0 1.741 3.383 259 155 A 16 ARG H A 14 PHE HBx 1.0 1.743 3.389 260 156 A 14 PHE HE1 A 12 LYS HB2 1.0 1.743 3.391 261 156 A 14 PHE HE2 A 12 LYS HB3 1.0 1.743 3.391 262 156 A 14 PHE HE1 A 12 LYS HB3 1.0 1.743 3.391 263 156 A 14 PHE HE2 A 12 LYS HB2 1.0 1.743 3.391 264 157 A 22 ARG HG2 A 22 ARG HA 1.0 1.744 3.394 265 157 A 22 ARG HG3 A 22 ARG HA 1.0 1.744 3.394 266 158 A 24 LYS HE2 A 24 LYS HG2 1.0 1.744 3.396 267 158 A 24 LYS HE3 A 24 LYS HG2 1.0 1.744 3.396 268 158 A 24 LYS HE2 A 24 LYS HG3 1.0 1.744 3.396 269 158 A 24 LYS HE3 A 24 LYS HG3 1.0 1.744 3.396 270 159 A 23 HIS H A 23 HIS HBy 1.0 1.744 3.398 271 160 A 10 CYS HBx A 27 HIS HE1 1.0 1.746 3.406 272 161 A 30 GLU HA A 30 GLU HBy 1.0 1.749 3.415 273 162 A 2 PRO HDy A 2 PRO HGy 1.0 1.750 3.418 274 163 A 12 LYS HGy A 14 PHE HZ 1.0 1.750 3.420 275 164 A 7 TRP HBx A 7 TRP HE3 1.0 1.750 3.422 276 165 A 25 ARG H A 25 ARG HA 1.0 1.750 3.424 277 166 A 23 HIS H A 23 HIS HA 1.0 1.751 3.427 278 167 A 26 THR H A 25 ARG H 1.0 1.753 3.435 279 168 A 7 TRP HA A 7 TRP H 1.0 1.754 3.440 280 169 A 30 GLU HA A 30 GLU HBx 1.0 1.754 3.440 281 170 A 25 ARG HGy A 25 ARG HA 1.0 1.756 3.448 282 171 A 19 GLU HA A 19 GLU H 1.0 1.757 3.451 283 172 A 21 GLN HA A 21 GLN H 1.0 1.756 3.452 284 173 A 16 ARG HGx A 16 ARG HDx 1.0 1.757 3.455 285 174 A 5 CYS HBy A 5 CYS H 1.0 1.759 3.463 286 175 A 10 CYS HA A 11 GLY H 1.0 1.759 3.465 287 176 A 31 LYS HA A 31 LYS HBx 1.0 1.760 3.466 288 177 A 9 GLY HAx A 9 GLY H 1.0 1.760 3.468 289 178 A 26 THR H A 26 THR HA 1.0 1.765 3.491 290 179 A 12 LYS HB2 A 23 HIS HE1 1.0 1.767 3.505 291 179 A 12 LYS HB3 A 23 HIS HE1 1.0 1.767 3.505 292 180 A 3 PHE HD2 A 15 THR HA 1.0 1.769 3.509 293 180 A 3 PHE HD1 A 15 THR HA 1.0 1.769 3.509 294 181 A 24 LYS H A 24 LYS HA 1.0 1.769 3.511 295 182 A 29 GLY HAx A 30 GLU H 1.0 1.772 3.530 296 183 A 27 HIS HA A 27 HIS H 1.0 1.773 3.533 297 184 A 21 GLN H A 20 LEU H 1.0 1.774 3.534 298 185 A 16 ARG H A 19 GLU HBx 1.0 1.774 3.536 299 186 A 21 GLN HB2 A 22 ARG H 1.0 1.774 3.538 300 186 A 21 GLN HB3 A 22 ARG H 1.0 1.774 3.538 301 187 A 14 PHE HD2 A 19 GLU HBx 1.0 1.775 3.539 302 187 A 14 PHE HD1 A 19 GLU HBx 1.0 1.775 3.539 303 188 A 21 GLN HA A 24 LYS HB2 1.0 1.774 3.540 304 188 A 21 GLN HA A 24 LYS HB3 1.0 1.774 3.540 305 189 A 14 PHE HD2 A 20 LEU HA 1.0 1.775 3.543 306 189 A 14 PHE HD1 A 20 LEU HA 1.0 1.775 3.543 307 190 A 19 GLU HA A 19 GLU HG2 1.0 1.776 3.546 308 190 A 19 GLU HA A 19 GLU HG3 1.0 1.776 3.546 309 191 A 16 ARG HA A 17 SER H 1.0 1.777 3.551 310 192 A 14 PHE HE2 A 20 LEU HDx% 1.0 1.778 3.552 311 192 A 14 PHE HE1 A 20 LEU HDx% 1.0 1.778 3.552 312 193 A 3 PHE HA A 3 PHE HBy 1.0 1.779 3.563 313 194 A 23 HIS H A 24 LYS H 1.0 1.779 3.563 314 195 A 16 ARG HB2 A 16 ARG HA 1.0 1.780 3.564 315 195 A 16 ARG HB3 A 16 ARG HA 1.0 1.780 3.564 316 196 A 20 LEU HDy% A 4 NLE H 1.0 1.780 3.566 317 197 A 4 NLE HGx A 4 NLE HA 1.0 1.781 3.571 318 198 A 21 GLN HGy A 21 GLN H 1.0 1.781 3.575 319 199 A 12 LYS HGy A 13 ARG H 1.0 1.782 3.576 320 200 A 10 CYS HBx A 7 TRP HE3 1.0 1.782 3.576 321 201 A 7 TRP HZ2 A 7 TRP HE1 1.0 1.782 3.578 322 202 A 20 LEU HBx A 20 LEU HA 1.0 1.782 3.578 323 203 A 28 THR H A 25 ARG HA 1.0 1.784 3.586 324 204 A 13 ARG H A 13 ARG HGx 1.0 1.784 3.588 325 205 A 13 ARG HD2 A 13 ARG HGy 1.0 1.787 3.605 326 205 A 13 ARG HD3 A 13 ARG HGy 1.0 1.787 3.605 327 206 A 14 PHE HA A 15 THR H 1.0 1.787 3.605 328 207 A 4 NLE HE% A 11 GLY HA3 1.0 1.788 3.606 329 207 A 4 NLE HE% A 11 GLY HA2 1.0 1.788 3.606 330 208 A 8 DPR HDx A 8 DPR HGy 1.0 1.788 3.606 331 209 A 22 ARG H A 22 ARG HA 1.0 1.788 3.608 332 210 A 3 PHE HE2 A 17 SER HBx 1.0 1.788 3.608 333 210 A 3 PHE HE1 A 17 SER HBx 1.0 1.788 3.608 334 211 A 14 PHE HBy A 14 PHE HA 1.0 1.789 3.611 335 212 A 27 HIS HBy A 27 HIS H 1.0 1.789 3.615 336 213 A 29 GLY H A 28 THR HA 1.0 1.791 3.621 337 214 A 28 THR H A 27 HIS H 1.0 1.793 3.635 338 215 A 3 PHE HBy A 3 PHE H 1.0 1.793 3.637 339 216 A 30 GLU H A 29 GLY HAy 1.0 1.793 3.637 340 217 A 24 LYS HD2 A 24 LYS HA 1.0 1.793 3.637 341 217 A 24 LYS HD3 A 24 LYS HA 1.0 1.793 3.637 342 218 A 14 PHE HE2 A 5 CYS HBx 1.0 1.794 3.642 343 218 A 14 PHE HE1 A 5 CYS HBx 1.0 1.794 3.642 344 219 A 24 LYS H A 25 ARG H 1.0 1.794 3.642 345 220 A 24 LYS H A 23 HIS HD2 1.0 1.795 3.647 346 221 A 24 LYS H A 23 HIS HBx 1.0 1.796 3.650 347 222 A 12 LYS H A 12 LYS HA 1.0 1.797 3.655 348 223 A 23 HIS HBy A 14 PHE HZ 1.0 1.799 3.665 349 224 A 20 LEU HBy A 3 PHE HBx 1.0 1.800 3.670 350 225 A 7 TRP HBy A 7 TRP HD1 1.0 1.800 3.674 351 226 A 21 GLN H A 20 LEU HBx 1.0 1.802 3.680 352 227 A 27 HIS HBy A 27 HIS HD2 1.0 1.803 3.689 353 228 A 29 GLY H A 29 GLY HAy 1.0 1.804 3.690 354 229 A 7 TRP HBy A 27 HIS HD2 1.0 1.804 3.696 355 230 A 16 ARG H A 16 ARG HA 1.0 1.806 3.704 356 231 A 25 ARG HGx A 25 ARG H 1.0 1.807 3.709 357 232 A 2 PRO HBy A 2 PRO HA 1.0 1.808 3.712 358 233 A 8 DPR HGx A 8 DPR HDy 1.0 1.809 3.719 359 234 A 5 CYS H A 5 CYS HA 1.0 1.809 3.719 360 235 A 8 DPR HA A 7 TRP HE3 1.0 1.811 3.727 361 236 A 5 CYS HBx A 23 HIS HD2 1.0 1.811 3.729 362 237 A 20 LEU H A 19 GLU HBx 1.0 1.812 3.736 363 238 A 3 PHE HD2 A 16 ARG HA 1.0 1.818 3.772 364 238 A 3 PHE HD1 A 16 ARG HA 1.0 1.818 3.772 365 239 A 24 LYS HA A 23 HIS HD2 1.0 1.818 3.772 366 240 A 4 NLE H A 4 NLE HBy 1.0 1.820 3.778 367 241 A 23 HIS HE1 A 12 LYS HD2 1.0 1.820 3.778 368 241 A 23 HIS HE1 A 12 LYS HD3 1.0 1.820 3.778 369 242 A 3 PHE HE2 A 17 SER HBy 1.0 1.820 3.780 370 242 A 3 PHE HE1 A 17 SER HBy 1.0 1.820 3.780 371 243 A 19 GLU HBy A 20 LEU H 1.0 1.821 3.787 372 244 A 20 LEU HA A 20 LEU H 1.0 1.822 3.792 373 245 A 8 DPR HA A 8 DPR HGy 1.0 1.822 3.792 374 246 A 6 THR HA A 7 TRP H 1.0 1.822 3.796 375 247 A 12 LYS H A 11 GLY HA2 1.0 1.824 3.800 376 247 A 12 LYS H A 11 GLY HA3 1.0 1.824 3.800 377 248 A 12 LYS H A 5 CYS HBx 1.0 1.824 3.800 378 249 A 25 ARG HGx A 25 ARG HD2 1.0 1.824 3.802 379 249 A 25 ARG HGx A 25 ARG HD3 1.0 1.824 3.802 380 250 A 22 ARG H A 21 GLN H 1.0 1.824 3.802 381 251 A 24 LYS HD2 A 23 HIS HD2 1.0 1.824 3.802 382 251 A 24 LYS HD3 A 23 HIS HD2 1.0 1.824 3.802 383 252 A 13 ARG HA A 13 ARG HGy 1.0 1.825 3.809 384 253 A 30 GLU HA A 30 GLU H 1.0 1.826 3.812 385 254 A 13 ARG H A 13 ARG HA 1.0 1.827 3.819 386 255 A 14 PHE HD2 A 14 PHE HZ 1.0 1.828 3.828 387 255 A 14 PHE HD1 A 14 PHE HZ 1.0 1.828 3.828 388 256 A 28 THR H A 28 THR HA 1.0 1.830 3.838 389 257 A 30 GLU HBy A 30 GLU H 1.0 1.830 3.842 390 258 A 4 NLE H A 4 NLE HA 1.0 1.831 3.847 391 259 A 20 LEU HDx% A 24 LYS HB3 1.0 1.836 3.874 392 259 A 20 LEU HDx% A 24 LYS HB2 1.0 1.836 3.874 393 260 A 20 LEU HDx% A 23 HIS HBx 1.0 1.836 3.876 394 261 A 3 PHE HBx A 4 NLE H 1.0 1.839 3.889 395 262 A 22 ARG HBy A 22 ARG H 1.0 1.839 3.891 396 263 A 25 ARG H A 24 LYS HB2 1.0 1.839 3.891 397 263 A 25 ARG H A 24 LYS HB3 1.0 1.839 3.891 398 264 A 14 PHE HD2 A 4 NLE HA 1.0 1.839 3.893 399 264 A 14 PHE HD1 A 4 NLE HA 1.0 1.839 3.893 400 265 A 9 GLY HAy A 9 GLY H 1.0 1.840 3.898 401 266 A 22 ARG HDx A 22 ARG HG2 1.0 1.840 3.898 402 266 A 22 ARG HDx A 22 ARG HG3 1.0 1.840 3.898 403 267 A 3 PHE HD2 A 3 PHE H 1.0 1.840 3.898 404 267 A 3 PHE HD1 A 3 PHE H 1.0 1.840 3.898 405 268 A 8 DPR HBy A 8 DPR HA 1.0 1.841 3.901 406 269 A 3 PHE HA A 3 PHE H 1.0 1.841 3.901 407 270 A 14 PHE H A 14 PHE HA 1.0 1.842 3.912 408 271 A 7 TRP HBx A 27 HIS HD2 1.0 1.843 3.915 409 272 A 10 CYS H A 8 DPR HA 1.0 1.843 3.915 410 273 A 25 ARG HB2 A 26 THR H 1.0 1.846 3.934 411 273 A 25 ARG HB3 A 26 THR H 1.0 1.846 3.934 412 274 A 16 ARG H A 15 THR HB 1.0 1.848 3.946 413 275 A 21 GLN H A 18 ASP HA 1.0 1.849 3.953 414 276 A 27 HIS HD2 A 27 HIS H 1.0 1.851 3.961 415 277 A 27 HIS HBy A 7 TRP HD1 1.0 1.851 3.961 416 278 A 14 PHE HZ A 12 LYS HB2 1.0 1.853 3.975 417 278 A 14 PHE HZ A 12 LYS HB3 1.0 1.853 3.975 418 279 A 10 CYS HBy A 27 HIS HE1 1.0 1.857 4.005 419 280 A 17 SER HA A 17 SER H 1.0 1.858 4.010 420 281 A 30 GLU HBx A 30 GLU H 1.0 1.862 4.042 421 282 A 18 ASP HBx A 18 ASP H 1.0 1.865 4.055 422 283 A 15 THR HA A 15 THR H 1.0 1.866 4.062 423 284 A 12 LYS H A 11 GLY H 1.0 1.867 4.065 424 285 A 8 DPR HA A 7 TRP HZ3 1.0 1.868 4.078 425 286 A 20 LEU HBy A 14 PHE HBy 1.0 1.869 4.085 426 287 A 14 PHE HD2 A 13 ARG HA 1.0 1.870 4.088 427 287 A 14 PHE HD1 A 13 ARG HA 1.0 1.870 4.088 428 288 A 7 TRP HA A 7 TRP HD1 1.0 1.870 4.088 429 289 A 16 ARG HB2 A 19 GLU H 1.0 1.874 4.120 430 289 A 16 ARG HB3 A 19 GLU H 1.0 1.874 4.120 431 290 A 24 LYS H A 24 LYS HG2 1.0 1.877 4.145 432 290 A 24 LYS H A 24 LYS HG3 1.0 1.877 4.145 433 291 A 20 LEU HDx% A 5 CYS HBx 1.0 1.889 4.219 434 292 A 27 HIS HD2 A 23 HIS HD2 1.0 1.889 4.227 435 293 A 10 CYS HBx A 7 TRP HZ3 1.0 1.890 4.240 436 294 A 5 CYS HA A 6 THR HG2% 1.0 1.893 4.261 437 295 A 22 ARG HG2 A 22 ARG HDy 1.0 1.897 4.283 438 295 A 22 ARG HG3 A 22 ARG HDy 1.0 1.897 4.283 439 296 A 24 LYS HA A 27 HIS H 1.0 1.897 4.283 440 297 A 26 THR H A 26 THR HB 1.0 1.897 4.283 441 298 A 23 HIS HD2 A 24 LYS HB2 1.0 1.897 4.287 442 298 A 23 HIS HD2 A 24 LYS HB3 1.0 1.897 4.287 443 299 A 20 LEU HA A 23 HIS HD2 1.0 1.900 4.306 444 300 A 14 PHE HZ A 23 HIS HD2 1.0 1.900 4.310 445 301 A 20 LEU HDy% A 17 SER HA 1.0 1.900 4.310 446 302 A 24 LYS HA A 25 ARG H 1.0 1.904 4.344 447 303 A 3 PHE HD2 A 2 PRO HA 1.0 1.905 4.353 448 303 A 3 PHE HD1 A 2 PRO HA 1.0 1.905 4.353 449 304 A 19 GLU H A 18 ASP HA 1.0 1.906 4.358 450 305 A 19 GLU HA A 20 LEU H 1.0 1.908 4.378 451 306 A 19 GLU H A 18 ASP H 1.0 1.909 4.389 452 307 A 21 GLN HA A 24 LYS H 1.0 1.911 4.399 453 308 A 27 HIS HE1 A 7 TRP HE3 1.0 1.911 4.405 454 309 A 26 THR HA A 27 HIS H 1.0 1.913 4.421 455 310 A 16 ARG H A 15 THR H 1.0 1.914 4.426 456 311 A 10 CYS HBy A 7 TRP H 1.0 1.915 4.431 457 312 A 7 TRP HA A 7 TRP HE3 1.0 1.921 4.487 458 313 A 20 LEU H A 17 SER HA 1.0 1.926 4.530 459 314 A 18 ASP HA A 18 ASP H 1.0 1.926 4.536 460 315 A 8 DPR HDy A 7 TRP HD1 1.0 1.929 4.561 461 316 A 16 ARG H A 15 THR HA 1.0 1.941 4.679 462 317 A 14 PHE HE2 A 20 LEU HA 1.0 1.942 4.702 463 317 A 14 PHE HE1 A 20 LEU HA 1.0 1.942 4.702 464 318 A 23 HIS HD2 A 24 LYS HG2 1.0 1.958 4.872 465 318 A 23 HIS HD2 A 24 LYS HG3 1.0 1.958 4.872 466 319 A 14 PHE HZ A 23 HIS HE1 1.0 1.958 4.882 467 320 A 27 HIS HD2 A 27 HIS HE1 1.0 1.964 4.962 468 321 A 15 THR HG2% A 15 THR H 1.0 1.969 5.025 469 322 A 25 ARG H A 22 ARG HA 1.0 1.993 5.537 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 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 10 CYS H A 7 TRP O 1.0 1.8 2.0 8 8 A 7 TRP O A 10 CYS N 1.0 2.7 3.1 9 9 A 20 LEU H A 16 ARG O 1.0 1.8 2.0 10 10 A 16 ARG O A 20 LEU N 1.0 2.7 3.1 11 11 A 21 GLN H A 17 SER O 1.0 1.8 2.0 12 12 A 17 SER O A 21 GLN N 1.0 2.7 3.1 13 13 A 22 ARG H A 18 ASP O 1.0 1.8 2.0 14 14 A 18 ASP O A 22 ARG N 1.0 2.7 3.1 15 15 A 23 HIS H A 19 GLU O 1.0 1.8 2.0 16 16 A 19 GLU O A 23 HIS N 1.0 2.7 3.1 17 17 A 24 LYS H A 20 LEU O 1.0 1.8 2.0 18 18 A 20 LEU O A 24 LYS N 1.0 2.7 3.1 19 19 A 25 ARG H A 21 GLN O 1.0 1.8 2.0 20 20 A 21 GLN O A 25 ARG N 1.0 2.7 3.1 21 21 A 25 ARG H A 22 ARG O 1.0 1.8 2.0 22 22 A 25 ARG N A 22 ARG O 1.0 2.7 3.1 23 23 A 26 THR H A 23 HIS O 1.0 1.8 2.0 24 24 A 23 HIS O A 26 THR N 1.0 2.7 3.1 25 25 A 27 HIS H A 24 LYS O 1.0 1.8 2.0 26 26 A 24 LYS O A 27 HIS N 1.0 2.7 3.1 27 27 A 28 THR H A 24 LYS O 1.0 1.8 2.0 28 28 A 24 LYS O A 28 THR N 1.0 2.7 3.1 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 4 NLE C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -90.0 -40.0 PHI 2 2 A 6 THR C A 7 TRP N A 7 TRP CA A 7 TRP C 1.0 -90.0 -40.0 PHI 3 3 A 12 LYS C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -160.0 -80.0 PHI 4 4 A 13 ARG C A 14 PHE N A 14 PHE CA A 14 PHE C 1.0 -160.0 -80.0 PHI 5 5 A 15 THR C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -160.0 -80.0 PHI 6 6 A 19 GLU C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -90.0 -40.0 PHI 7 7 A 23 HIS C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -90.0 -40.0 PHI 8 8 A 26 THR C A 27 HIS N A 27 HIS CA A 27 HIS C 1.0 -90.0 -40.0 PHI 9 9 A 29 GLY C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -90.0 -40.0 PHI stop_ save_