data_nef_c30673_6uco 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 6UCO 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 NVA N 1 8 NVA CD 1 9 CYS N 1 8 NVA CD 1 9 CYS SG 1 8 NVA C 1 9 CYS 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 NVA middle -H2,-OXT . 9 A 9 CYS middle -H2,-HG,-H2 . 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 4.213 0.002 A 1 ARG HB2 H 1 1.781 0.000 A 1 ARG HB3 H 1 1.781 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 HGy H 1 1.603 0.000 A 1 ARG HGx H 1 1.550 0.000 A 2 PRO HA H 1 4.512 0.001 A 2 PRO HBy H 1 2.198 0.001 A 2 PRO HBx H 1 1.640 0.004 A 2 PRO HDy H 1 3.686 0.002 A 2 PRO HDx H 1 3.552 0.004 A 2 PRO HGy H 1 1.956 0.002 A 2 PRO HGx H 1 1.885 0.005 A 3 PHE H H 1 8.612 0.001 A 3 PHE HA H 1 4.620 0.001 A 3 PHE HBy H 1 3.056 0.008 A 3 PHE HBx H 1 2.952 0.003 A 3 PHE HD1 H 1 7.183 0.002 A 3 PHE HD2 H 1 7.183 0.002 A 3 PHE HE1 H 1 7.427 0.000 A 3 PHE HE2 H 1 7.427 0.000 A 4 NLE H H 1 8.359 0.001 A 4 NLE HA H 1 4.951 0.001 A 4 NLE HBx H 1 1.558 0.004 A 4 NLE HBy H 1 1.721 0.004 A 4 NLE HDx H 1 1.204 0.002 A 4 NLE HDy H 1 1.204 0.002 A 4 NLE HE% H 1 0.795 0.002 A 4 NLE HGx H 1 1.138 0.002 A 4 NLE HGy H 1 1.138 0.002 A 5 CYS H H 1 9.023 0.002 A 5 CYS HA H 1 4.491 0.001 A 5 CYS HBy H 1 3.362 0.001 A 5 CYS HBx H 1 2.895 0.000 A 6 THR H H 1 9.249 0.000 A 6 THR HA H 1 4.408 0.000 A 6 THR HB H 1 4.450 0.000 A 6 THR HG2% H 1 1.351 0.000 A 7 TRP H H 1 8.823 0.000 A 7 TRP HA H 1 4.273 0.002 A 7 TRP HBy H 1 2.861 0.001 A 7 TRP HBx H 1 2.764 0.001 A 7 TRP HD1 H 1 6.781 0.001 A 7 TRP HE1 H 1 9.977 0.000 A 7 TRP HE3 H 1 7.229 0.000 A 7 TRP HH2 H 1 7.149 0.000 A 7 TRP HZ2 H 1 7.413 0.002 A 7 TRP HZ3 H 1 7.038 0.000 A 8 NVA H H 1 8.438 0.001 A 8 NVA HA H 1 3.565 0.001 A 8 NVA HBx H 1 0.986 0.000 A 8 NVA HBy H 1 1.473 0.005 A 8 NVA HD1 H 1 4.793 0.002 A 8 NVA HGx H 1 1.568 0.003 A 8 NVA HGy H 1 2.030 0.000 A 9 CYS HA H 1 5.550 0.001 A 9 CYS HBx H 1 3.104 0.000 A 9 CYS HBy H 1 3.431 0.000 A 10 CYS H H 1 8.425 0.000 A 10 CYS HA H 1 4.177 0.000 A 10 CYS HBy H 1 3.434 0.000 A 10 CYS HBx H 1 3.389 0.000 A 11 GLY H H 1 8.564 0.000 A 11 GLY HAy H 1 3.976 0.001 A 11 GLY HAx H 1 3.869 0.003 A 12 LYS H H 1 8.019 0.000 A 12 LYS HA H 1 3.995 0.002 A 12 LYS HB2 H 1 1.437 0.000 A 12 LYS HB3 H 1 1.437 0.000 A 12 LYS HD2 H 1 1.495 0.001 A 12 LYS HD3 H 1 1.495 0.001 A 12 LYS HE2 H 1 3.010 0.003 A 12 LYS HE3 H 1 3.010 0.003 A 12 LYS HGy H 1 1.360 0.000 A 12 LYS HGx H 1 1.235 0.004 A 13 ARG H H 1 7.808 0.000 A 13 ARG HA H 1 5.048 0.002 A 13 ARG HB2 H 1 1.515 0.000 A 13 ARG HB3 H 1 1.515 0.000 A 13 ARG HDy H 1 3.113 0.000 A 13 ARG HDx H 1 3.077 0.004 A 13 ARG HG2 H 1 1.649 0.003 A 13 ARG HG3 H 1 1.464 0.000 A 14 PHE H H 1 8.775 0.001 A 14 PHE HA H 1 4.894 0.003 A 14 PHE HBy H 1 3.616 0.000 A 14 PHE HBx H 1 2.659 0.003 A 14 PHE HD1 H 1 7.208 0.001 A 14 PHE HD2 H 1 7.208 0.001 A 14 PHE HE1 H 1 6.907 0.001 A 14 PHE HE2 H 1 6.907 0.001 A 14 PHE HZ H 1 6.247 0.000 A 15 THR H H 1 9.185 0.000 A 15 THR HA H 1 4.583 0.004 A 15 THR HB H 1 4.470 0.000 A 15 THR HG2% H 1 1.330 0.001 A 16 ARG H H 1 7.733 0.000 A 16 ARG HA H 1 4.701 0.001 A 16 ARG HB2 H 1 2.143 0.001 A 16 ARG HB3 H 1 2.143 0.001 A 16 ARG HDy H 1 3.306 0.002 A 16 ARG HDx H 1 3.250 0.003 A 16 ARG HG2 H 1 1.664 0.004 A 16 ARG HG3 H 1 1.664 0.004 A 17 SER H H 1 8.494 0.000 A 17 SER HA H 1 3.089 0.001 A 17 SER HBy H 1 3.492 0.000 A 17 SER HBx H 1 3.377 0.001 A 18 ASP H H 1 8.716 0.000 A 18 ASP HA H 1 4.196 0.002 A 18 ASP HBy H 1 2.667 0.000 A 18 ASP HBx H 1 2.584 0.000 A 19 GLU H H 1 7.037 0.001 A 19 GLU HA H 1 3.837 0.002 A 19 GLU HBy H 1 2.296 0.002 A 19 GLU HBx H 1 2.245 0.003 A 19 GLU HG2 H 1 2.043 0.000 A 19 GLU HG3 H 1 2.043 0.000 A 20 LEU H H 1 6.953 0.001 A 20 LEU HA H 1 3.285 0.000 A 20 LEU HBy H 1 1.995 0.001 A 20 LEU HBx H 1 1.304 0.000 A 20 LEU HDx% H 1 1.080 0.001 A 20 LEU HDy% H 1 1.106 0.002 A 20 LEU HG H 1 1.541 0.002 A 21 GLN H H 1 8.148 0.000 A 21 GLN HA H 1 3.853 0.002 A 21 GLN HB2 H 1 2.073 0.000 A 21 GLN HB3 H 1 2.073 0.000 A 21 GLN HE2x H 1 6.920 0.000 A 21 GLN HE2y H 1 7.331 0.000 A 21 GLN HGy H 1 2.420 0.000 A 21 GLN HGx H 1 2.361 0.000 A 22 ARG H H 1 7.643 0.000 A 22 ARG HA H 1 3.892 0.002 A 22 ARG HBy H 1 1.801 0.000 A 22 ARG HBx H 1 1.754 0.000 A 22 ARG HDy H 1 3.226 0.002 A 22 ARG HDx H 1 3.125 0.000 A 22 ARG HG2 H 1 1.508 0.001 A 22 ARG HG3 H 1 1.508 0.001 A 23 HIS H H 1 7.665 0.000 A 23 HIS HA H 1 4.222 0.003 A 23 HIS HBy H 1 3.030 0.000 A 23 HIS HBx H 1 2.871 0.000 A 23 HIS HD2 H 1 7.078 0.000 A 23 HIS HE1 H 1 7.936 0.000 A 24 LYS H H 1 8.777 0.000 A 24 LYS HA H 1 3.631 0.001 A 24 LYS HB2 H 1 1.945 0.000 A 24 LYS HB3 H 1 1.945 0.000 A 24 LYS HD2 H 1 1.775 0.002 A 24 LYS HD3 H 1 1.775 0.002 A 24 LYS HEy H 1 3.127 0.000 A 24 LYS HEx H 1 3.072 0.002 A 24 LYS HG2 H 1 1.833 0.000 A 24 LYS HG3 H 1 1.833 0.000 A 25 ARG H H 1 7.033 0.000 A 25 ARG HA H 1 4.102 0.002 A 25 ARG HBy H 1 1.889 0.000 A 25 ARG HBx H 1 1.813 0.000 A 25 ARG HD2 H 1 3.161 0.002 A 25 ARG HD3 H 1 3.161 0.002 A 25 ARG HGy H 1 1.786 0.000 A 25 ARG HGx H 1 1.636 0.001 A 26 THR H H 1 7.635 0.000 A 26 THR HA H 1 4.031 0.000 A 26 THR HB H 1 3.941 0.000 A 26 THR HG2% H 1 1.119 0.001 A 27 HIS H H 1 6.863 0.000 A 27 HIS HA H 1 4.329 0.001 A 27 HIS HBy H 1 2.229 0.007 A 27 HIS HBx H 1 1.071 0.002 A 27 HIS HD2 H 1 6.290 0.000 A 27 HIS HE1 H 1 8.015 0.000 A 28 THR H H 1 7.459 0.000 A 28 THR HA H 1 4.199 0.001 A 28 THR HB H 1 4.260 0.000 A 28 THR HG2% H 1 1.151 0.000 A 29 GLY H H 1 8.228 0.000 A 29 GLY HAy H 1 4.040 0.000 A 29 GLY HAx H 1 3.954 0.000 A 30 GLU H H 1 8.153 0.000 A 30 GLU HA H 1 4.263 0.002 A 30 GLU HBy H 1 2.059 0.000 A 30 GLU HBx H 1 1.948 0.000 A 30 GLU HG2 H 1 2.260 0.000 A 30 GLU HG3 H 1 2.260 0.000 A 31 LYS H H 1 8.433 0.001 A 31 LYS HA H 1 4.258 0.001 A 31 LYS HBy H 1 1.846 0.002 A 31 LYS HBx H 1 1.764 0.004 A 31 LYS HD2 H 1 1.667 0.001 A 31 LYS HD3 H 1 1.667 0.001 A 31 LYS HE2 H 1 2.989 0.000 A 31 LYS HE3 H 1 2.989 0.000 A 31 LYS HGy H 1 1.465 0.000 A 31 LYS HGx H 1 1.409 0.004 A 32 NH2 HNx H 1 7.071 0.000 A 32 NH2 HNy H 1 7.549 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 2 PRO HGx A 2 PRO HGy 1.0 1.174 1.684 2 2 A 4 NLE HDy A 4 NLE HGx 1.0 1.187 1.713 3 2 A 4 NLE HDx A 4 NLE HGx 1.0 1.187 1.713 4 2 A 4 NLE HGy A 4 NLE HDx 1.0 1.187 1.713 5 2 A 4 NLE HGy A 4 NLE HDy 1.0 1.187 1.713 6 3 A 16 ARG HDx A 16 ARG HDy 1.0 1.252 1.856 7 4 A 29 GLY HAy A 29 GLY HAx 1.0 1.295 1.957 8 5 A 12 LYS HGx A 12 LYS HD2 1.0 1.313 1.997 9 5 A 12 LYS HGx A 12 LYS HD3 1.0 1.313 1.997 10 6 A 18 ASP HBy A 18 ASP HBx 1.0 1.323 2.023 11 7 A 25 ARG HGy A 25 ARG HGx 1.0 1.326 2.030 12 8 A 11 GLY HAy A 11 GLY HAx 1.0 1.330 2.040 13 9 A 13 ARG HG2 A 13 ARG HG3 1.0 1.371 2.141 14 10 A 22 ARG HDy A 22 ARG HDx 1.0 1.372 2.144 15 11 A 30 GLU HBy A 30 GLU HBx 1.0 1.382 2.172 16 12 A 7 TRP HBx A 7 TRP HBy 1.0 1.385 2.179 17 13 A 24 LYS HB3 A 24 LYS HG2 1.0 1.396 2.210 18 13 A 24 LYS HB2 A 24 LYS HG2 1.0 1.396 2.210 19 13 A 24 LYS HG3 A 24 LYS HB2 1.0 1.396 2.210 20 13 A 24 LYS HG3 A 24 LYS HB3 1.0 1.396 2.210 21 14 A 13 ARG HG3 A 13 ARG HB2 1.0 1.398 2.212 22 14 A 13 ARG HG3 A 13 ARG HB3 1.0 1.398 2.212 23 15 A 4 NLE HBx A 4 NLE HBy 1.0 1.417 2.263 24 16 A 9 CYS HBy A 9 CYS HBx 1.0 1.420 2.272 25 17 A 5 CYS HBy A 5 CYS HBx 1.0 1.432 2.304 26 18 A 3 PHE HBy A 3 PHE HBx 1.0 1.438 2.322 27 19 A 23 HIS HBy A 23 HIS HBx 1.0 1.440 2.328 28 20 A 27 HIS HBx A 27 HIS HBy 1.0 1.442 2.332 29 21 A 16 ARG HB3 A 16 ARG HG2 1.0 1.447 2.347 30 21 A 16 ARG HB2 A 16 ARG HG2 1.0 1.447 2.347 31 21 A 16 ARG HG3 A 16 ARG HB2 1.0 1.447 2.347 32 21 A 16 ARG HG3 A 16 ARG HB3 1.0 1.447 2.347 33 22 A 14 PHE HBy A 14 PHE HBx 1.0 1.465 2.397 34 23 A 2 PRO HDy A 2 PRO HDx 1.0 1.472 2.418 35 24 A 22 ARG HBy A 22 ARG HG2 1.0 1.483 2.449 36 24 A 22 ARG HG3 A 22 ARG HBy 1.0 1.483 2.449 37 25 A 17 SER HBy A 17 SER HBx 1.0 1.483 2.449 38 26 A 21 GLN HE2x A 21 GLN HE2y 1.0 1.494 2.482 39 27 A 12 LYS HGy A 12 LYS HB2 1.0 1.496 2.488 40 27 A 12 LYS HGy A 12 LYS HB3 1.0 1.496 2.488 41 28 A 7 TRP HH2 A 7 TRP HZ3 1.0 1.520 2.562 42 29 A 3 PHE HD1 A 3 PHE HE2 1.0 1.525 2.577 43 29 A 3 PHE HD2 A 3 PHE HE2 1.0 1.525 2.577 44 29 A 3 PHE HE1 A 3 PHE HD2 1.0 1.525 2.577 45 29 A 3 PHE HE1 A 3 PHE HD1 1.0 1.525 2.577 46 30 A 20 LEU HBy A 20 LEU HBx 1.0 1.546 2.642 47 31 A 14 PHE HD1 A 14 PHE HE2 1.0 1.546 2.642 48 31 A 14 PHE HD2 A 14 PHE HE2 1.0 1.546 2.642 49 31 A 14 PHE HE1 A 14 PHE HD2 1.0 1.546 2.642 50 31 A 14 PHE HE1 A 14 PHE HD1 1.0 1.546 2.642 51 32 A 4 NLE HDy A 4 NLE HE% 1.0 1.556 2.674 52 32 A 4 NLE HDx A 4 NLE HE% 1.0 1.556 2.674 53 33 A 7 TRP HZ3 A 7 TRP HE3 1.0 1.559 2.683 54 34 A 20 LEU HG A 20 LEU HDx% 1.0 1.567 2.709 55 35 A 14 PHE HE2 A 14 PHE HZ 1.0 1.569 2.719 56 35 A 14 PHE HE1 A 14 PHE HZ 1.0 1.569 2.719 57 36 A 20 LEU HG A 20 LEU HDy% 1.0 1.580 2.754 58 37 A 12 LYS HA A 13 ARG H 1.0 1.588 2.782 59 38 A 24 LYS HB2 A 24 LYS HD2 1.0 1.589 2.783 60 38 A 24 LYS HB3 A 24 LYS HD2 1.0 1.589 2.783 61 38 A 24 LYS HB2 A 24 LYS HD3 1.0 1.589 2.783 62 38 A 24 LYS HB3 A 24 LYS HD3 1.0 1.589 2.783 63 39 A 13 ARG HG3 A 13 ARG HDx 1.0 1.597 2.813 64 40 A 2 PRO HBy A 2 PRO HBx 1.0 1.615 2.873 65 41 A 20 LEU H A 19 GLU H 1.0 1.621 2.895 66 42 A 4 NLE HA A 5 CYS H 1.0 1.625 2.913 67 43 A 3 PHE HA A 4 NLE H 1.0 1.627 2.917 68 44 A 9 CYS HBx A 9 CYS HA 1.0 1.627 2.919 69 45 A 7 TRP HH2 A 7 TRP HZ2 1.0 1.631 2.933 70 46 A 13 ARG HA A 14 PHE H 1.0 1.631 2.933 71 47 A 21 GLN HA A 21 GLN HB2 1.0 1.633 2.939 72 47 A 21 GLN HA A 21 GLN HB3 1.0 1.633 2.939 73 48 A 26 THR HG2% A 26 THR HB 1.0 1.633 2.941 74 49 A 25 ARG HGx A 25 ARG HD2 1.0 1.637 2.955 75 49 A 25 ARG HGx A 25 ARG HD3 1.0 1.637 2.955 76 50 A 25 ARG HGx A 25 ARG H 1.0 1.640 2.964 77 51 A 11 GLY HAx A 11 GLY H 1.0 1.643 2.975 78 52 A 14 PHE HBy A 14 PHE HD2 1.0 1.646 2.988 79 52 A 14 PHE HBy A 14 PHE HD1 1.0 1.646 2.988 80 53 A 22 ARG HBy A 22 ARG HA 1.0 1.653 3.015 81 54 A 3 PHE HBx A 3 PHE HD2 1.0 1.664 3.060 82 54 A 3 PHE HBx A 3 PHE HD1 1.0 1.664 3.060 83 55 A 19 GLU HBx A 19 GLU HG2 1.0 1.666 3.066 84 55 A 19 GLU HG3 A 19 GLU HBx 1.0 1.666 3.066 85 56 A 14 PHE HBx A 14 PHE HD2 1.0 1.667 3.069 86 56 A 14 PHE HBx A 14 PHE HD1 1.0 1.667 3.069 87 57 A 22 ARG HBy A 22 ARG H 1.0 1.671 3.085 88 58 A 12 LYS HGx A 12 LYS HGy 1.0 1.672 3.088 89 59 A 7 TRP HBx A 7 TRP H 1.0 1.677 3.111 90 60 A 20 LEU HDx% A 20 LEU HA 1.0 1.680 3.118 91 61 A 3 PHE HBy A 3 PHE HD2 1.0 1.680 3.122 92 61 A 3 PHE HBy A 3 PHE HD1 1.0 1.680 3.122 93 62 A 24 LYS HA A 27 HIS HD2 1.0 1.683 3.129 94 63 A 1 ARG HA A 1 ARG HGx 1.0 1.683 3.131 95 64 A 24 LYS HB2 A 24 LYS HA 1.0 1.683 3.135 96 64 A 24 LYS HB3 A 24 LYS HA 1.0 1.683 3.135 97 65 A 5 CYS HBy A 23 HIS HD2 1.0 1.683 3.135 98 66 A 17 SER HBy A 17 SER HA 1.0 1.685 3.139 99 67 A 10 CYS HBy A 10 CYS H 1.0 1.685 3.141 100 68 A 18 ASP HBx A 18 ASP HA 1.0 1.686 3.142 101 69 A 23 HIS HBx A 23 HIS H 1.0 1.687 3.145 102 70 A 26 THR HG2% A 26 THR HA 1.0 1.688 3.152 103 71 A 21 GLN HB2 A 21 GLN H 1.0 1.690 3.158 104 71 A 21 GLN HB3 A 21 GLN H 1.0 1.690 3.158 105 72 A 20 LEU HBy A 20 LEU HA 1.0 1.691 3.165 106 73 A 18 ASP HBy A 18 ASP HA 1.0 1.692 3.166 107 74 A 16 ARG HG2 A 16 ARG HA 1.0 1.692 3.170 108 74 A 16 ARG HG3 A 16 ARG HA 1.0 1.692 3.170 109 75 A 14 PHE HBx A 14 PHE HA 1.0 1.693 3.175 110 76 A 23 HIS HBy A 23 HIS HA 1.0 1.699 3.197 111 77 A 2 PRO HDx A 1 ARG HA 1.0 1.699 3.199 112 78 A 5 CYS HBy A 5 CYS HA 1.0 1.700 3.202 113 79 A 7 TRP HBy A 7 TRP HA 1.0 1.700 3.202 114 80 A 13 ARG HG3 A 13 ARG HA 1.0 1.701 3.207 115 81 A 9 CYS HBy A 9 CYS HA 1.0 1.703 3.211 116 82 A 16 ARG HDy A 16 ARG HG2 1.0 1.703 3.217 117 82 A 16 ARG HDy A 16 ARG HG3 1.0 1.703 3.217 118 83 A 11 GLY H A 10 CYS HBy 1.0 1.707 3.229 119 84 A 7 TRP HBy A 7 TRP H 1.0 1.707 3.231 120 85 A 20 LEU HBx A 17 SER HA 1.0 1.708 3.234 121 86 A 3 PHE HBx A 20 LEU HDy% 1.0 1.709 3.241 122 87 A 20 LEU HBx A 20 LEU H 1.0 1.709 3.241 123 88 A 28 THR HB A 28 THR HG2% 1.0 1.712 3.250 124 89 A 14 PHE HD1 A 20 LEU HDx% 1.0 1.714 3.258 125 89 A 14 PHE HD2 A 20 LEU HDx% 1.0 1.714 3.258 126 90 A 25 ARG HBx A 25 ARG HA 1.0 1.713 3.259 127 91 A 20 LEU HDx% A 5 CYS HA 1.0 1.713 3.259 128 92 A 10 CYS H A 10 CYS HBx 1.0 1.714 3.260 129 93 A 22 ARG HDx A 22 ARG HBy 1.0 1.714 3.262 130 94 A 21 GLN HB2 A 18 ASP HA 1.0 1.715 3.267 131 94 A 21 GLN HB3 A 18 ASP HA 1.0 1.715 3.267 132 95 A 16 ARG HDx A 16 ARG HG2 1.0 1.718 3.278 133 95 A 16 ARG HDx A 16 ARG HG3 1.0 1.718 3.278 134 96 A 15 THR HB A 15 THR HG2% 1.0 1.719 3.281 135 97 A 24 LYS HB2 A 24 LYS H 1.0 1.719 3.283 136 97 A 24 LYS HB3 A 24 LYS H 1.0 1.719 3.283 137 98 A 19 GLU HBy A 19 GLU HA 1.0 1.720 3.288 138 99 A 5 CYS HBy A 14 PHE HE2 1.0 1.721 3.295 139 99 A 5 CYS HBy A 14 PHE HE1 1.0 1.721 3.295 140 100 A 12 LYS HGy A 12 LYS HA 1.0 1.721 3.295 141 101 A 2 PRO HA A 3 PHE H 1.0 1.722 3.296 142 102 A 13 ARG HB2 A 13 ARG HA 1.0 1.725 3.307 143 102 A 13 ARG HB3 A 13 ARG HA 1.0 1.725 3.307 144 103 A 31 LYS HD3 A 31 LYS HE2 1.0 1.725 3.309 145 103 A 31 LYS HD2 A 31 LYS HE2 1.0 1.725 3.309 146 103 A 31 LYS HE3 A 31 LYS HD2 1.0 1.725 3.309 147 103 A 31 LYS HE3 A 31 LYS HD3 1.0 1.725 3.309 148 104 A 2 PRO HBx A 2 PRO HA 1.0 1.726 3.310 149 105 A 17 SER HBx A 17 SER HA 1.0 1.726 3.314 150 106 A 11 GLY HAy A 11 GLY H 1.0 1.727 3.315 151 107 A 25 ARG HGy A 25 ARG H 1.0 1.727 3.317 152 108 A 4 NLE HDx A 4 NLE HBy 1.0 1.728 3.320 153 108 A 4 NLE HDy A 4 NLE HBy 1.0 1.728 3.320 154 109 A 19 GLU H A 19 GLU HBy 1.0 1.730 3.330 155 110 A 19 GLU HG2 A 19 GLU HA 1.0 1.732 3.338 156 110 A 19 GLU HG3 A 19 GLU HA 1.0 1.732 3.338 157 111 A 14 PHE HBx A 19 GLU HBy 1.0 1.732 3.338 158 112 A 20 LEU HBy A 20 LEU H 1.0 1.734 3.346 159 113 A 22 ARG HA A 22 ARG HBx 1.0 1.734 3.346 160 114 A 10 CYS HBy A 10 CYS HA 1.0 1.737 3.363 161 115 A 20 LEU HBx A 20 LEU HDy% 1.0 1.737 3.363 162 116 A 25 ARG HGx A 25 ARG HA 1.0 1.740 3.372 163 117 A 27 HIS HBy A 27 HIS HA 1.0 1.742 3.384 164 118 A 26 THR HG2% A 23 HIS HA 1.0 1.744 3.396 165 119 A 23 HIS HBx A 20 LEU HA 1.0 1.744 3.396 166 120 A 19 GLU H A 19 GLU HBx 1.0 1.745 3.397 167 121 A 12 LYS HB2 A 12 LYS HA 1.0 1.745 3.399 168 121 A 12 LYS HB3 A 12 LYS HA 1.0 1.745 3.399 169 122 A 5 CYS HBx A 5 CYS H 1.0 1.746 3.402 170 123 A 3 PHE HBx A 20 LEU HBy 1.0 1.746 3.404 171 124 A 23 HIS HBx A 23 HIS HA 1.0 1.746 3.404 172 125 A 27 HIS HBx A 27 HIS HD2 1.0 1.746 3.404 173 126 A 31 LYS HBx A 31 LYS HGx 1.0 1.746 3.406 174 127 A 26 THR HG2% A 26 THR H 1.0 1.748 3.412 175 128 A 22 ARG HBy A 19 GLU HA 1.0 1.750 3.418 176 129 A 14 PHE HD2 A 14 PHE HA 1.0 1.750 3.420 177 129 A 14 PHE HD1 A 14 PHE HA 1.0 1.750 3.420 178 130 A 31 LYS HBx A 31 LYS HGy 1.0 1.751 3.427 179 131 A 4 NLE HGx A 4 NLE HBy 1.0 1.752 3.430 180 131 A 4 NLE HGy A 4 NLE HBy 1.0 1.752 3.430 181 132 A 7 TRP HBx A 7 TRP HE3 1.0 1.753 3.437 182 133 A 3 PHE HBx A 3 PHE HA 1.0 1.756 3.446 183 134 A 21 GLN HB2 A 22 ARG H 1.0 1.756 3.448 184 134 A 21 GLN HB3 A 22 ARG H 1.0 1.756 3.448 185 135 A 23 HIS HBy A 23 HIS H 1.0 1.757 3.457 186 136 A 14 PHE HE2 A 23 HIS HD2 1.0 1.757 3.457 187 136 A 14 PHE HE1 A 23 HIS HD2 1.0 1.757 3.457 188 137 A 12 LYS HD2 A 12 LYS HGy 1.0 1.757 3.457 189 137 A 12 LYS HD3 A 12 LYS HGy 1.0 1.757 3.457 190 138 A 22 ARG H A 22 ARG HBx 1.0 1.759 3.461 191 139 A 5 CYS HBx A 5 CYS HA 1.0 1.760 3.466 192 140 A 5 CYS HBy A 20 LEU HDx% 1.0 1.760 3.468 193 141 A 12 LYS HB2 A 12 LYS H 1.0 1.760 3.470 194 141 A 12 LYS HB3 A 12 LYS H 1.0 1.760 3.470 195 142 A 22 ARG HDy A 22 ARG HBy 1.0 1.760 3.470 196 143 A 5 CYS HBx A 12 LYS H 1.0 1.763 3.485 197 144 A 14 PHE HD1 A 19 GLU HG2 1.0 1.764 3.486 198 144 A 14 PHE HD2 A 19 GLU HG2 1.0 1.764 3.486 199 144 A 14 PHE HD2 A 19 GLU HG3 1.0 1.764 3.486 200 144 A 14 PHE HD1 A 19 GLU HG3 1.0 1.764 3.486 201 145 A 14 PHE HBy A 14 PHE HA 1.0 1.765 3.491 202 146 A 14 PHE HBx A 16 ARG H 1.0 1.768 3.506 203 147 A 23 HIS HBx A 23 HIS HD2 1.0 1.769 3.511 204 148 A 16 ARG HG2 A 16 ARG H 1.0 1.770 3.516 205 148 A 16 ARG HG3 A 16 ARG H 1.0 1.770 3.516 206 149 A 16 ARG HA A 17 SER H 1.0 1.773 3.531 207 150 A 5 CYS HBy A 5 CYS H 1.0 1.773 3.531 208 151 A 14 PHE HD2 A 14 PHE H 1.0 1.773 3.531 209 151 A 14 PHE HD1 A 14 PHE H 1.0 1.773 3.531 210 152 A 25 ARG H A 26 THR H 1.0 1.773 3.533 211 153 A 27 HIS HBx A 27 HIS H 1.0 1.774 3.538 212 154 A 20 LEU HBx A 20 LEU HA 1.0 1.776 3.548 213 155 A 4 NLE HDx A 4 NLE HBx 1.0 1.779 3.559 214 155 A 4 NLE HDy A 4 NLE HBx 1.0 1.779 3.559 215 156 A 3 PHE HD2 A 3 PHE HA 1.0 1.780 3.564 216 156 A 3 PHE HD1 A 3 PHE HA 1.0 1.780 3.564 217 157 A 20 LEU HBx A 20 LEU HG 1.0 1.780 3.566 218 158 A 24 LYS HA A 24 LYS H 1.0 1.782 3.578 219 159 A 20 LEU HDx% A 23 HIS HD2 1.0 1.782 3.578 220 160 A 26 THR H A 27 HIS H 1.0 1.782 3.578 221 161 A 4 NLE HBy A 4 NLE HA 1.0 1.783 3.581 222 162 A 20 LEU HBy A 14 PHE HD2 1.0 1.785 3.589 223 162 A 20 LEU HBy A 14 PHE HD1 1.0 1.785 3.589 224 163 A 2 PRO HGx A 2 PRO HDy 1.0 1.785 3.591 225 164 A 13 ARG HB2 A 13 ARG H 1.0 1.786 3.598 226 164 A 13 ARG HB3 A 13 ARG H 1.0 1.786 3.598 227 165 A 11 GLY H A 10 CYS H 1.0 1.786 3.598 228 166 A 23 HIS HBx A 24 LYS H 1.0 1.786 3.600 229 167 A 2 PRO HGy A 2 PRO HDy 1.0 1.788 3.606 230 168 A 25 ARG H A 25 ARG HA 1.0 1.789 3.615 231 169 A 11 GLY H A 10 CYS HA 1.0 1.792 3.632 232 170 A 4 NLE HGx A 4 NLE HA 1.0 1.793 3.635 233 170 A 4 NLE HGy A 4 NLE HA 1.0 1.793 3.635 234 171 A 28 THR HG2% A 28 THR HA 1.0 1.795 3.641 235 172 A 24 LYS HB2 A 21 GLN HA 1.0 1.795 3.641 236 172 A 24 LYS HB3 A 21 GLN HA 1.0 1.795 3.641 237 173 A 10 CYS H A 10 CYS HA 1.0 1.795 3.641 238 174 A 2 PRO HGx A 2 PRO HDx 1.0 1.795 3.645 239 175 A 22 ARG HG2 A 22 ARG HA 1.0 1.796 3.650 240 175 A 22 ARG HG3 A 22 ARG HA 1.0 1.796 3.650 241 176 A 22 ARG HDx A 22 ARG HG2 1.0 1.797 3.653 242 176 A 22 ARG HDx A 22 ARG HG3 1.0 1.797 3.653 243 177 A 16 ARG HB2 A 16 ARG HA 1.0 1.798 3.656 244 177 A 16 ARG HB3 A 16 ARG HA 1.0 1.798 3.656 245 178 A 3 PHE HBy A 14 PHE HBy 1.0 1.798 3.660 246 179 A 19 GLU HA A 22 ARG HBx 1.0 1.799 3.663 247 180 A 14 PHE HA A 15 THR H 1.0 1.799 3.663 248 181 A 20 LEU HBy A 20 LEU HG 1.0 1.800 3.672 249 182 A 7 TRP HBy A 7 TRP HE3 1.0 1.800 3.672 250 183 A 3 PHE HE2 A 16 ARG HA 1.0 1.801 3.675 251 183 A 3 PHE HE1 A 16 ARG HA 1.0 1.801 3.675 252 184 A 19 GLU H A 19 GLU HA 1.0 1.801 3.675 253 185 A 14 PHE HE2 A 20 LEU HDx% 1.0 1.802 3.678 254 185 A 14 PHE HE1 A 20 LEU HDx% 1.0 1.802 3.678 255 186 A 23 HIS HBy A 14 PHE HZ 1.0 1.803 3.685 256 187 A 13 ARG HG2 A 13 ARG HA 1.0 1.804 3.692 257 188 A 15 THR HG2% A 15 THR HA 1.0 1.804 3.692 258 189 A 20 LEU HBy A 20 LEU HDx% 1.0 1.804 3.692 259 190 A 25 ARG HGy A 25 ARG HA 1.0 1.805 3.695 260 191 A 12 LYS HGx A 12 LYS HA 1.0 1.805 3.695 261 192 A 23 HIS H A 24 LYS H 1.0 1.806 3.698 262 193 A 22 ARG HDx A 22 ARG HBx 1.0 1.808 3.712 263 194 A 20 LEU HBx A 21 GLN H 1.0 1.809 3.719 264 195 A 7 TRP HBx A 7 TRP HA 1.0 1.809 3.719 265 196 A 12 LYS HB2 A 14 PHE HE1 1.0 1.810 3.726 266 196 A 12 LYS HB3 A 14 PHE HE2 1.0 1.810 3.726 267 196 A 12 LYS HB3 A 14 PHE HE1 1.0 1.810 3.726 268 196 A 12 LYS HB2 A 14 PHE HE2 1.0 1.810 3.726 269 197 A 10 CYS HBx A 10 CYS HA 1.0 1.812 3.736 270 198 A 10 CYS HBx A 27 HIS HE1 1.0 1.813 3.743 271 199 A 3 PHE HBy A 14 PHE HD2 1.0 1.813 3.743 272 199 A 3 PHE HBy A 14 PHE HD1 1.0 1.813 3.743 273 200 A 24 LYS HB2 A 25 ARG H 1.0 1.814 3.746 274 200 A 24 LYS HB3 A 25 ARG H 1.0 1.814 3.746 275 201 A 3 PHE HBy A 3 PHE H 1.0 1.814 3.746 276 202 A 20 LEU H A 19 GLU HBy 1.0 1.814 3.750 277 203 A 29 GLY HAy A 29 GLY H 1.0 1.816 3.758 278 204 A 27 HIS HA A 27 HIS H 1.0 1.817 3.761 279 205 A 26 THR HA A 26 THR H 1.0 1.817 3.761 280 206 A 4 NLE HBx A 4 NLE H 1.0 1.817 3.765 281 207 A 7 TRP HE3 A 10 CYS HBx 1.0 1.818 3.772 282 208 A 14 PHE HBy A 14 PHE H 1.0 1.818 3.772 283 209 A 2 PRO HGx A 2 PRO HBx 1.0 1.821 3.783 284 210 A 13 ARG HG3 A 13 ARG H 1.0 1.821 3.783 285 211 A 21 GLN HA A 21 GLN H 1.0 1.821 3.787 286 212 A 7 TRP HBx A 7 TRP HD1 1.0 1.821 3.791 287 213 A 19 GLU HBx A 19 GLU HA 1.0 1.823 3.795 288 214 A 20 LEU HDy% A 3 PHE HA 1.0 1.823 3.795 289 215 A 19 GLU H A 19 GLU HG2 1.0 1.825 3.807 290 215 A 19 GLU H A 19 GLU HG3 1.0 1.825 3.807 291 216 A 27 HIS H A 28 THR H 1.0 1.825 3.807 292 217 A 1 ARG HGy A 1 ARG HD2 1.0 1.825 3.811 293 217 A 1 ARG HGy A 1 ARG HD3 1.0 1.825 3.811 294 218 A 20 LEU H A 21 GLN H 1.0 1.825 3.811 295 219 A 12 LYS HGy A 14 PHE HE2 1.0 1.825 3.811 296 219 A 12 LYS HGy A 14 PHE HE1 1.0 1.825 3.811 297 220 A 12 LYS HD2 A 12 LYS HE3 1.0 1.827 3.819 298 220 A 12 LYS HD2 A 12 LYS HE2 1.0 1.827 3.819 299 220 A 12 LYS HD3 A 12 LYS HE2 1.0 1.827 3.819 300 220 A 12 LYS HD3 A 12 LYS HE3 1.0 1.827 3.819 301 221 A 3 PHE HBy A 3 PHE HA 1.0 1.827 3.819 302 222 A 29 GLY HAx A 29 GLY H 1.0 1.827 3.823 303 223 A 20 LEU HG A 20 LEU HA 1.0 1.828 3.826 304 224 A 20 LEU H A 20 LEU HA 1.0 1.829 3.831 305 225 A 14 PHE HD2 A 13 ARG HA 1.0 1.829 3.831 306 225 A 14 PHE HD1 A 13 ARG HA 1.0 1.829 3.831 307 226 A 12 LYS HGy A 14 PHE HZ 1.0 1.829 3.835 308 227 A 28 THR HA A 29 GLY H 1.0 1.831 3.843 309 228 A 12 LYS HGy A 13 ARG H 1.0 1.833 3.855 310 229 A 12 LYS HB2 A 23 HIS HE1 1.0 1.833 3.855 311 229 A 12 LYS HB3 A 23 HIS HE1 1.0 1.833 3.855 312 230 A 1 ARG HA A 1 ARG HB2 1.0 1.834 3.860 313 230 A 1 ARG HA A 1 ARG HB3 1.0 1.834 3.860 314 231 A 2 PRO HBy A 2 PRO HA 1.0 1.834 3.864 315 232 A 14 PHE HD2 A 19 GLU HBy 1.0 1.835 3.869 316 232 A 14 PHE HD1 A 19 GLU HBy 1.0 1.835 3.869 317 233 A 14 PHE HBx A 19 GLU HG2 1.0 1.836 3.872 318 233 A 14 PHE HBx A 19 GLU HG3 1.0 1.836 3.872 319 234 A 25 ARG HD2 A 25 ARG HBx 1.0 1.837 3.877 320 234 A 25 ARG HD3 A 25 ARG HBx 1.0 1.837 3.877 321 235 A 7 TRP HBx A 27 HIS HD2 1.0 1.838 3.882 322 236 A 7 TRP H A 7 TRP HA 1.0 1.838 3.882 323 237 A 27 HIS HA A 28 THR H 1.0 1.838 3.886 324 238 A 7 TRP HBx A 10 CYS HBx 1.0 1.839 3.895 325 239 A 12 LYS HD2 A 23 HIS HE1 1.0 1.844 3.922 326 239 A 12 LYS HD3 A 23 HIS HE1 1.0 1.844 3.922 327 240 A 14 PHE HD2 A 20 LEU HA 1.0 1.844 3.922 328 240 A 14 PHE HD1 A 20 LEU HA 1.0 1.844 3.922 329 241 A 22 ARG HA A 22 ARG H 1.0 1.845 3.927 330 242 A 3 PHE HD1 A 20 LEU HDy% 1.0 1.845 3.927 331 242 A 3 PHE HD2 A 20 LEU HDy% 1.0 1.845 3.927 332 243 A 3 PHE HBy A 20 LEU HDy% 1.0 1.845 3.927 333 244 A 12 LYS HB2 A 14 PHE HZ 1.0 1.847 3.941 334 244 A 12 LYS HB3 A 14 PHE HZ 1.0 1.847 3.941 335 245 A 14 PHE H A 3 PHE H 1.0 1.847 3.941 336 246 A 14 PHE HBy A 20 LEU HBy 1.0 1.848 3.946 337 247 A 27 HIS HBy A 27 HIS HD2 1.0 1.850 3.956 338 248 A 3 PHE HE2 A 17 SER HA 1.0 1.850 3.956 339 248 A 3 PHE HE1 A 17 SER HA 1.0 1.850 3.956 340 249 A 4 NLE HBy A 4 NLE H 1.0 1.851 3.961 341 250 A 25 ARG H A 25 ARG HBx 1.0 1.851 3.967 342 251 A 22 ARG H A 21 GLN H 1.0 1.851 3.967 343 252 A 18 ASP HA A 21 GLN HGx 1.0 1.852 3.972 344 253 A 27 HIS HD2 A 27 HIS H 1.0 1.853 3.977 345 254 A 3 PHE HD2 A 3 PHE H 1.0 1.853 3.977 346 254 A 3 PHE HD1 A 3 PHE H 1.0 1.853 3.977 347 255 A 7 TRP HBy A 27 HIS HD2 1.0 1.854 3.982 348 256 A 27 HIS HBx A 27 HIS HA 1.0 1.858 4.008 349 257 A 7 TRP HE3 A 10 CYS HBy 1.0 1.858 4.008 350 258 A 7 TRP HBy A 7 TRP HD1 1.0 1.859 4.013 351 259 A 14 PHE HBy A 19 GLU HBy 1.0 1.859 4.013 352 260 A 25 ARG HA A 27 HIS H 1.0 1.859 4.013 353 261 A 18 ASP HBx A 18 ASP H 1.0 1.859 4.013 354 262 A 5 CYS H A 5 CYS HA 1.0 1.859 4.019 355 263 A 19 GLU HBy A 16 ARG H 1.0 1.861 4.029 356 264 A 11 GLY H A 12 LYS H 1.0 1.861 4.029 357 265 A 22 ARG HBy A 23 HIS H 1.0 1.861 4.035 358 266 A 3 PHE HBx A 14 PHE HBy 1.0 1.861 4.035 359 267 A 30 GLU HBy A 30 GLU H 1.0 1.864 4.046 360 268 A 31 LYS HBy A 31 LYS HA 1.0 1.864 4.046 361 269 A 5 CYS HBx A 23 HIS HD2 1.0 1.864 4.046 362 270 A 30 GLU H A 30 GLU HA 1.0 1.864 4.052 363 271 A 3 PHE HBy A 20 LEU HBy 1.0 1.865 4.057 364 272 A 5 CYS HBx A 20 LEU HDx% 1.0 1.865 4.057 365 273 A 24 LYS HA A 23 HIS HD2 1.0 1.866 4.064 366 274 A 2 PRO HGy A 2 PRO HBx 1.0 1.866 4.064 367 275 A 2 PRO HDy A 2 PRO HBy 1.0 1.867 4.069 368 276 A 20 LEU H A 19 GLU HG2 1.0 1.869 4.081 369 276 A 20 LEU H A 19 GLU HG3 1.0 1.869 4.081 370 277 A 13 ARG H A 13 ARG HA 1.0 1.869 4.081 371 278 A 18 ASP HA A 18 ASP H 1.0 1.869 4.087 372 279 A 14 PHE HE2 A 20 LEU HA 1.0 1.870 4.092 373 279 A 14 PHE HE1 A 20 LEU HA 1.0 1.870 4.092 374 280 A 14 PHE H A 14 PHE HA 1.0 1.870 4.092 375 281 A 4 NLE HA A 14 PHE H 1.0 1.871 4.099 376 282 A 28 THR HA A 28 THR H 1.0 1.871 4.099 377 283 A 25 ARG H A 24 LYS H 1.0 1.872 4.104 378 284 A 4 NLE HA A 4 NLE H 1.0 1.872 4.104 379 285 A 24 LYS HD2 A 24 LYS HEy 1.0 1.873 4.111 380 285 A 24 LYS HD3 A 24 LYS HEy 1.0 1.873 4.111 381 286 A 2 PRO HDy A 1 ARG HA 1.0 1.874 4.118 382 287 A 16 ARG HA A 16 ARG H 1.0 1.874 4.118 383 288 A 17 SER HBx A 3 PHE HE2 1.0 1.875 4.123 384 288 A 17 SER HBx A 3 PHE HE1 1.0 1.875 4.123 385 289 A 19 GLU H A 18 ASP HA 1.0 1.876 4.130 386 290 A 4 NLE HDx A 4 NLE HA 1.0 1.876 4.136 387 290 A 4 NLE HDy A 4 NLE HA 1.0 1.876 4.136 388 291 A 12 LYS HD2 A 14 PHE HZ 1.0 1.876 4.136 389 291 A 12 LYS HD3 A 14 PHE HZ 1.0 1.876 4.136 390 292 A 4 NLE HGx A 13 ARG HG3 1.0 1.876 4.136 391 292 A 4 NLE HGy A 13 ARG HG3 1.0 1.876 4.136 392 293 A 9 CYS HA A 10 CYS H 1.0 1.877 4.143 393 294 A 16 ARG HG2 A 15 THR HB 1.0 1.879 4.149 394 294 A 16 ARG HG3 A 15 THR HB 1.0 1.879 4.149 395 295 A 20 LEU HDx% A 21 GLN HA 1.0 1.879 4.149 396 296 A 13 ARG HG3 A 12 LYS HA 1.0 1.879 4.155 397 297 A 23 HIS H A 23 HIS HA 1.0 1.879 4.155 398 298 A 27 HIS HBy A 27 HIS H 1.0 1.880 4.162 399 299 A 4 NLE HGx A 5 CYS H 1.0 1.880 4.162 400 299 A 4 NLE HGy A 5 CYS H 1.0 1.880 4.162 401 300 A 17 SER HBy A 3 PHE HE2 1.0 1.880 4.162 402 300 A 17 SER HBy A 3 PHE HE1 1.0 1.880 4.162 403 301 A 20 LEU HDx% A 4 NLE HA 1.0 1.880 4.162 404 302 A 12 LYS HB2 A 12 LYS HE3 1.0 1.881 4.169 405 302 A 12 LYS HB2 A 12 LYS HE2 1.0 1.881 4.169 406 302 A 12 LYS HB3 A 12 LYS HE2 1.0 1.881 4.169 407 302 A 12 LYS HB3 A 12 LYS HE3 1.0 1.881 4.169 408 303 A 14 PHE HBy A 16 ARG H 1.0 1.881 4.169 409 304 A 30 GLU HBy A 30 GLU HA 1.0 1.885 4.197 410 305 A 11 GLY H A 10 CYS HBx 1.0 1.887 4.211 411 306 A 27 HIS HBx A 28 THR H 1.0 1.887 4.211 412 307 A 16 ARG HB2 A 19 GLU H 1.0 1.888 4.218 413 307 A 16 ARG HB3 A 19 GLU H 1.0 1.888 4.218 414 308 A 3 PHE HD2 A 16 ARG HA 1.0 1.888 4.218 415 308 A 3 PHE HD1 A 16 ARG HA 1.0 1.888 4.218 416 309 A 3 PHE HD2 A 2 PRO HA 1.0 1.891 4.239 417 309 A 3 PHE HD1 A 2 PRO HA 1.0 1.891 4.239 418 310 A 3 PHE HBx A 14 PHE HD2 1.0 1.891 4.247 419 310 A 3 PHE HBx A 14 PHE HD1 1.0 1.891 4.247 420 311 A 13 ARG HB2 A 14 PHE H 1.0 1.895 4.269 421 311 A 13 ARG HB3 A 14 PHE H 1.0 1.895 4.269 422 312 A 12 LYS HGy A 12 LYS H 1.0 1.895 4.269 423 313 A 3 PHE HD2 A 15 THR HA 1.0 1.895 4.277 424 313 A 3 PHE HD1 A 15 THR HA 1.0 1.895 4.277 425 314 A 5 CYS H A 13 ARG HA 1.0 1.895 4.277 426 315 A 13 ARG HG2 A 13 ARG HDx 1.0 1.897 4.285 427 316 A 2 PRO HDy A 1 ARG HB2 1.0 1.897 4.285 428 316 A 2 PRO HDy A 1 ARG HB3 1.0 1.897 4.285 429 317 A 20 LEU HG A 20 LEU H 1.0 1.897 4.293 430 318 A 16 ARG H A 15 THR H 1.0 1.897 4.293 431 319 A 25 ARG HD2 A 22 ARG HA 1.0 1.897 4.293 432 319 A 25 ARG HD3 A 22 ARG HA 1.0 1.897 4.293 433 320 A 27 HIS HBy A 7 TRP HZ2 1.0 1.899 4.309 434 321 A 20 LEU HBy A 14 PHE HE2 1.0 1.899 4.309 435 321 A 20 LEU HBy A 14 PHE HE1 1.0 1.899 4.309 436 322 A 20 LEU H A 17 SER HA 1.0 1.899 4.309 437 323 A 27 HIS HBy A 28 THR H 1.0 1.899 4.309 438 324 A 14 PHE HBx A 15 THR H 1.0 1.899 4.309 439 325 A 29 GLY HAy A 30 GLU H 1.0 1.901 4.317 440 326 A 23 HIS HBy A 24 LYS H 1.0 1.901 4.317 441 327 A 20 LEU HDy% A 20 LEU HA 1.0 1.901 4.317 442 328 A 28 THR HB A 28 THR H 1.0 1.901 4.317 443 329 A 25 ARG HA A 26 THR H 1.0 1.902 4.326 444 330 A 12 LYS HD2 A 14 PHE HE2 1.0 1.902 4.326 445 330 A 12 LYS HD2 A 14 PHE HE1 1.0 1.902 4.326 446 330 A 12 LYS HD3 A 14 PHE HE2 1.0 1.902 4.326 447 330 A 12 LYS HD3 A 14 PHE HE1 1.0 1.902 4.326 448 331 A 19 GLU H A 18 ASP H 1.0 1.902 4.334 449 332 A 11 GLY HAx A 4 NLE HE% 1.0 1.904 4.342 450 333 A 14 PHE HBx A 19 GLU HBx 1.0 1.905 4.351 451 334 A 13 ARG H A 12 LYS H 1.0 1.905 4.351 452 335 A 2 PRO HGy A 2 PRO HDx 1.0 1.905 4.351 453 336 A 28 THR HG2% A 28 THR H 1.0 1.905 4.351 454 337 A 17 SER HA A 17 SER H 1.0 1.906 4.360 455 338 A 14 PHE HD2 A 14 PHE HZ 1.0 1.907 4.369 456 338 A 14 PHE HD1 A 14 PHE HZ 1.0 1.907 4.369 457 339 A 29 GLY HAx A 30 GLU H 1.0 1.907 4.369 458 340 A 2 PRO HGx A 2 PRO HA 1.0 1.908 4.378 459 341 A 30 GLU HBx A 30 GLU HA 1.0 1.908 4.378 460 342 A 25 ARG HGy A 25 ARG HD2 1.0 1.910 4.386 461 342 A 25 ARG HGy A 25 ARG HD3 1.0 1.910 4.386 462 343 A 15 THR HB A 16 ARG H 1.0 1.910 4.386 463 344 A 7 TRP HE3 A 7 TRP HA 1.0 1.911 4.395 464 345 A 20 LEU HDy% A 4 NLE H 1.0 1.911 4.395 465 346 A 16 ARG H A 15 THR HA 1.0 1.911 4.395 466 347 A 20 LEU HDx% A 24 LYS H 1.0 1.911 4.395 467 348 A 31 LYS HBx A 31 LYS HA 1.0 1.911 4.405 468 349 A 3 PHE HBx A 3 PHE H 1.0 1.912 4.414 469 350 A 24 LYS HG2 A 24 LYS HEx 1.0 1.912 4.414 470 350 A 24 LYS HG3 A 24 LYS HEx 1.0 1.912 4.414 471 351 A 13 ARG HG3 A 13 ARG HDy 1.0 1.912 4.414 472 352 A 25 ARG H A 24 LYS HA 1.0 1.912 4.414 473 353 A 26 THR HB A 26 THR H 1.0 1.913 4.423 474 354 A 6 THR HA A 6 THR HG2% 1.0 1.914 4.424 475 355 A 25 ARG HD2 A 25 ARG HA 1.0 1.914 4.428 476 355 A 25 ARG HD3 A 25 ARG HA 1.0 1.914 4.428 477 356 A 14 PHE HBy A 20 LEU H 1.0 1.914 4.430 478 357 A 31 LYS HBy A 31 LYS H 1.0 1.915 4.431 479 358 A 3 PHE H A 15 THR HA 1.0 1.915 4.435 480 359 A 5 CYS HBx A 14 PHE HE2 1.0 1.917 4.451 481 359 A 5 CYS HBx A 14 PHE HE1 1.0 1.917 4.451 482 360 A 2 PRO HBy A 3 PHE H 1.0 1.918 4.460 483 361 A 11 GLY HAy A 12 LYS H 1.0 1.918 4.462 484 362 A 26 THR HA A 27 HIS H 1.0 1.919 4.465 485 363 A 20 LEU H A 19 GLU HBx 1.0 1.920 4.476 486 364 A 20 LEU HG A 21 GLN HA 1.0 1.920 4.478 487 365 A 20 LEU HA A 23 HIS H 1.0 1.920 4.482 488 366 A 5 CYS HBy A 12 LYS HB2 1.0 1.920 4.486 489 366 A 5 CYS HBy A 12 LYS HB3 1.0 1.920 4.486 490 367 A 11 GLY HAy A 4 NLE HE% 1.0 1.922 4.502 491 368 A 7 TRP HZ3 A 7 TRP HZ2 1.0 1.923 4.503 492 369 A 20 LEU HDy% A 5 CYS HA 1.0 1.923 4.505 493 370 A 4 NLE HBx A 4 NLE HA 1.0 1.924 4.512 494 371 A 28 THR HG2% A 27 HIS HA 1.0 1.924 4.518 495 372 A 20 LEU HBx A 14 PHE HD2 1.0 1.925 4.523 496 372 A 20 LEU HBx A 14 PHE HD1 1.0 1.925 4.523 497 373 A 16 ARG HB2 A 17 SER H 1.0 1.927 4.539 498 373 A 16 ARG HB3 A 17 SER H 1.0 1.927 4.539 499 374 A 30 GLU H A 30 GLU HG2 1.0 1.927 4.545 500 374 A 30 GLU H A 30 GLU HG3 1.0 1.927 4.545 501 375 A 17 SER HBy A 17 SER H 1.0 1.927 4.545 502 376 A 3 PHE HBy A 20 LEU HDx% 1.0 1.927 4.547 503 377 A 13 ARG HG2 A 4 NLE HA 1.0 1.928 4.554 504 378 A 24 LYS HA A 27 HIS H 1.0 1.929 4.561 505 379 A 16 ARG HB2 A 16 ARG H 1.0 1.929 4.563 506 379 A 16 ARG HB3 A 16 ARG H 1.0 1.929 4.563 507 380 A 20 LEU HBy A 21 GLN H 1.0 1.929 4.565 508 381 A 20 LEU HDx% A 21 GLN H 1.0 1.930 4.568 509 382 A 21 GLN HA A 24 LYS H 1.0 1.930 4.570 510 383 A 25 ARG HA A 28 THR H 1.0 1.931 4.589 511 384 A 17 SER HBx A 17 SER H 1.0 1.932 4.590 512 385 A 3 PHE HBx A 4 NLE H 1.0 1.932 4.590 513 386 A 13 ARG HG3 A 4 NLE HA 1.0 1.932 4.594 514 387 A 14 PHE HBx A 20 LEU HBy 1.0 1.933 4.599 515 388 A 5 CYS HBx A 4 NLE HA 1.0 1.934 4.616 516 389 A 5 CYS HBy A 12 LYS H 1.0 1.935 4.623 517 390 A 4 NLE HBy A 5 CYS H 1.0 1.935 4.629 518 391 A 30 GLU HBy A 30 GLU HG2 1.0 1.937 4.635 519 391 A 30 GLU HBy A 30 GLU HG3 1.0 1.937 4.635 520 392 A 24 LYS HD2 A 27 HIS HD2 1.0 1.936 4.636 521 392 A 24 LYS HD3 A 27 HIS HD2 1.0 1.936 4.636 522 393 A 23 HIS H A 22 ARG HBx 1.0 1.937 4.639 523 394 A 20 LEU H A 22 ARG H 1.0 1.937 4.643 524 395 A 20 LEU HA A 24 LYS H 1.0 1.940 4.668 525 396 A 23 HIS HD2 A 24 LYS H 1.0 1.940 4.674 526 397 A 14 PHE HA A 15 THR HG2% 1.0 1.942 4.694 527 398 A 18 ASP HBx A 19 GLU H 1.0 1.943 4.709 528 399 A 20 LEU HDx% A 20 LEU H 1.0 1.943 4.711 529 400 A 3 PHE HBy A 14 PHE H 1.0 1.944 4.712 530 401 A 24 LYS HB2 A 27 HIS HD2 1.0 1.944 4.712 531 401 A 24 LYS HB3 A 27 HIS HD2 1.0 1.944 4.712 532 402 A 25 ARG H A 22 ARG HA 1.0 1.944 4.724 533 403 A 7 TRP HA A 7 TRP HD1 1.0 1.945 4.731 534 404 A 20 LEU HA A 23 HIS HD2 1.0 1.945 4.731 535 405 A 20 LEU H A 19 GLU HA 1.0 1.946 4.736 536 406 A 18 ASP HBy A 18 ASP H 1.0 1.947 4.753 537 407 A 24 LYS HB2 A 20 LEU HDx% 1.0 1.948 4.760 538 407 A 24 LYS HB3 A 20 LEU HDx% 1.0 1.948 4.760 539 408 A 24 LYS HB2 A 23 HIS HD2 1.0 1.950 4.790 540 408 A 24 LYS HB3 A 23 HIS HD2 1.0 1.950 4.790 541 409 A 29 GLY H A 28 THR H 1.0 1.952 4.806 542 410 A 24 LYS HA A 26 THR H 1.0 1.953 4.819 543 411 A 27 HIS HD2 A 23 HIS HD2 1.0 1.953 4.827 544 412 A 26 THR HB A 27 HIS H 1.0 1.953 4.827 545 413 A 14 PHE HA A 16 ARG H 1.0 1.956 4.858 546 414 A 30 GLU H A 31 LYS H 1.0 1.957 4.867 547 415 A 14 PHE HE1 A 19 GLU HG2 1.0 1.957 4.869 548 415 A 14 PHE HE2 A 19 GLU HG3 1.0 1.957 4.869 549 415 A 14 PHE HE1 A 19 GLU HG3 1.0 1.957 4.869 550 415 A 14 PHE HE2 A 19 GLU HG2 1.0 1.957 4.869 551 416 A 15 THR H A 15 THR HA 1.0 1.957 4.871 552 417 A 14 PHE HD2 A 4 NLE HA 1.0 1.960 4.908 553 417 A 14 PHE HD1 A 4 NLE HA 1.0 1.960 4.908 554 418 A 3 PHE HA A 3 PHE H 1.0 1.960 4.918 555 419 A 16 ARG HB2 A 18 ASP H 1.0 1.961 4.921 556 419 A 16 ARG HB3 A 18 ASP H 1.0 1.961 4.921 557 420 A 14 PHE HBx A 20 LEU H 1.0 1.961 4.923 558 421 A 20 LEU HG A 21 GLN H 1.0 1.961 4.925 559 422 A 27 HIS HBx A 28 THR HB 1.0 1.961 4.925 560 423 A 15 THR HG2% A 15 THR H 1.0 1.962 4.938 561 424 A 23 HIS HA A 24 LYS H 1.0 1.964 4.962 562 425 A 2 PRO HGy A 2 PRO HA 1.0 1.964 4.966 563 426 A 17 SER HBy A 18 ASP H 1.0 1.964 4.974 564 427 A 7 TRP HE3 A 27 HIS HE1 1.0 1.967 4.999 565 428 A 3 PHE HD2 A 4 NLE H 1.0 1.967 4.999 566 428 A 3 PHE HD1 A 4 NLE H 1.0 1.967 4.999 567 429 A 3 PHE HBy A 4 NLE H 1.0 1.967 5.001 568 430 A 14 PHE HZ A 23 HIS HD2 1.0 1.969 5.031 569 431 A 27 HIS HD2 A 7 TRP HD1 1.0 1.970 5.040 570 432 A 14 PHE HD2 A 19 GLU HBx 1.0 1.970 5.048 571 432 A 14 PHE HD1 A 19 GLU HBx 1.0 1.970 5.048 572 433 A 4 NLE HBx A 5 CYS H 1.0 1.970 5.050 573 434 A 3 PHE HBy A 14 PHE HBx 1.0 1.970 5.050 574 435 A 14 PHE HE2 A 5 CYS H 1.0 1.971 5.065 575 435 A 14 PHE HE1 A 5 CYS H 1.0 1.971 5.065 576 436 A 20 LEU HA A 21 GLN H 1.0 1.971 5.071 577 437 A 26 THR HG2% A 23 HIS HE1 1.0 1.973 5.089 578 438 A 3 PHE HE2 A 17 SER H 1.0 1.976 5.144 579 438 A 3 PHE HE1 A 17 SER H 1.0 1.976 5.144 580 439 A 14 PHE HBy A 15 THR H 1.0 1.976 5.150 581 440 A 12 LYS HB2 A 5 CYS H 1.0 1.976 5.150 582 440 A 12 LYS HB3 A 5 CYS H 1.0 1.976 5.150 583 441 A 18 ASP HBy A 19 GLU H 1.0 1.976 5.158 584 442 A 15 THR HB A 15 THR H 1.0 1.976 5.162 585 443 A 14 PHE HBy A 14 PHE HE2 1.0 1.978 5.188 586 443 A 14 PHE HBy A 14 PHE HE1 1.0 1.978 5.188 587 444 A 14 PHE HBx A 14 PHE HE2 1.0 1.983 5.267 588 444 A 14 PHE HBx A 14 PHE HE1 1.0 1.983 5.267 589 445 A 27 HIS HBy A 7 TRP HD1 1.0 1.984 5.302 590 446 A 20 LEU HDx% A 5 CYS H 1.0 1.985 5.317 591 447 A 9 CYS HA A 11 GLY H 1.0 1.986 5.348 592 448 A 19 GLU HBx A 16 ARG H 1.0 1.987 5.365 593 449 A 23 HIS HD2 A 23 HIS HA 1.0 1.987 5.367 594 450 A 4 NLE HGx A 13 ARG HA 1.0 1.987 5.377 595 450 A 4 NLE HGy A 13 ARG HA 1.0 1.987 5.377 596 451 A 23 HIS HD2 A 23 HIS HE1 1.0 1.988 5.406 597 452 A 14 PHE HE2 A 5 CYS HA 1.0 1.989 5.427 598 452 A 14 PHE HE1 A 5 CYS HA 1.0 1.989 5.427 599 453 A 7 TRP H A 7 TRP HD1 1.0 1.990 5.446 600 454 A 12 LYS HGx A 23 HIS HE1 1.0 1.990 5.452 601 455 A 22 ARG HA A 25 ARG HBx 1.0 1.991 5.471 602 456 A 29 GLY HAx A 25 ARG HGx 1.0 1.991 5.475 603 457 A 23 HIS HD2 A 5 CYS HA 1.0 1.992 5.484 604 458 A 27 HIS HD2 A 27 HIS HE1 1.0 1.993 5.533 605 459 A 20 LEU HDx% A 14 PHE HZ 1.0 1.994 5.562 606 460 A 30 GLU HA A 30 GLU HG2 1.0 1.994 5.566 607 460 A 30 GLU HA A 30 GLU HG3 1.0 1.994 5.566 608 461 A 17 SER HBx A 3 PHE HD2 1.0 1.994 5.594 609 461 A 17 SER HBx A 3 PHE HD1 1.0 1.994 5.594 610 462 A 24 LYS HB2 A 27 HIS HBx 1.0 1.995 5.597 611 462 A 24 LYS HB3 A 27 HIS HBx 1.0 1.995 5.597 612 463 A 20 LEU HDx% A 4 NLE H 1.0 1.996 5.612 613 464 A 2 PRO HBx A 3 PHE H 1.0 1.995 5.619 614 465 A 14 PHE HBx A 15 THR HG2% 1.0 1.996 5.634 615 466 A 21 GLN H A 21 GLN HGx 1.0 1.996 5.658 616 467 A 20 LEU HDy% A 21 GLN HA 1.0 1.997 5.669 617 468 A 27 HIS HD2 A 27 HIS HA 1.0 1.997 5.701 618 469 A 19 GLU H A 21 GLN H 1.0 1.999 5.821 619 470 A 24 LYS HG2 A 24 LYS H 1.0 1.999 5.859 620 470 A 24 LYS HG3 A 24 LYS H 1.0 1.999 5.859 621 471 A 20 LEU HDy% A 20 LEU H 1.0 1.999 5.877 622 472 A 7 TRP HBx A 27 HIS HE1 1.0 2.000 5.916 623 473 A 22 ARG HA A 23 HIS H 1.0 1.997 6.339 624 474 A 18 ASP HBy A 19 GLU HBy 1.0 1.995 6.391 625 475 A 7 TRP H A 10 CYS HBx 1.0 1.987 6.659 626 476 A 20 LEU HDy% A 21 GLN H 1.0 1.969 7.029 627 477 A 30 GLU HBx A 30 GLU HG2 1.0 1.392 2.198 628 477 A 19 GLU HG2 A 19 GLU HBy 1.0 1.392 2.198 629 477 A 19 GLU HG3 A 19 GLU HBy 1.0 1.392 2.198 630 477 A 30 GLU HBx A 30 GLU HG3 1.0 1.392 2.198 631 478 A 25 ARG HGy A 25 ARG HBx 1.0 1.637 2.955 632 478 A 2 PRO HGy A 2 PRO HBy 1.0 1.637 2.955 633 479 A 22 ARG HDy A 22 ARG HG2 1.0 1.753 3.433 634 479 A 22 ARG HDy A 22 ARG HG3 1.0 1.753 3.433 635 479 A 13 ARG HB2 A 13 ARG HDx 1.0 1.753 3.433 636 479 A 13 ARG HB3 A 13 ARG HDx 1.0 1.753 3.433 637 480 A 3 PHE HBx A 20 LEU HDx% 1.0 1.754 3.442 638 480 A 23 HIS HBx A 20 LEU HDx% 1.0 1.754 3.442 639 481 A 23 HIS HBy A 20 LEU HA 1.0 1.766 3.498 640 481 A 5 CYS HBy A 20 LEU HA 1.0 1.766 3.498 641 482 A 20 LEU HDy% A 24 LYS HEx 1.0 1.772 3.528 642 482 A 20 LEU HDx% A 24 LYS HEx 1.0 1.772 3.528 643 483 A 12 LYS HA A 12 LYS H 1.0 1.778 3.554 644 483 A 11 GLY HAx A 12 LYS H 1.0 1.778 3.554 645 484 A 1 ARG HD3 A 1 ARG HB3 1.0 1.788 3.606 646 484 A 24 LYS HD3 A 24 LYS HEx 1.0 1.788 3.606 647 484 A 1 ARG HD2 A 1 ARG HB2 1.0 1.788 3.606 648 484 A 24 LYS HD2 A 24 LYS HEx 1.0 1.788 3.606 649 484 A 1 ARG HD2 A 1 ARG HB3 1.0 1.788 3.606 650 484 A 1 ARG HD3 A 1 ARG HB2 1.0 1.788 3.606 651 485 A 13 ARG HB3 A 12 LYS HA 1.0 1.809 3.719 652 485 A 13 ARG HB2 A 12 LYS HA 1.0 1.809 3.719 653 485 A 12 LYS HD2 A 12 LYS HA 1.0 1.809 3.719 654 485 A 12 LYS HD3 A 12 LYS HA 1.0 1.809 3.719 655 486 A 25 ARG HGy A 24 LYS H 1.0 1.824 3.802 656 486 A 13 ARG HG3 A 14 PHE H 1.0 1.824 3.802 657 487 A 22 ARG H A 18 ASP HA 1.0 1.829 3.831 658 487 A 23 HIS HA A 26 THR H 1.0 1.829 3.831 659 488 A 12 LYS HB2 A 13 ARG H 1.0 1.850 3.956 660 488 A 12 LYS HB3 A 13 ARG H 1.0 1.850 3.956 661 488 A 13 ARG HG2 A 13 ARG H 1.0 1.850 3.956 662 489 A 23 HIS HBx A 14 PHE HZ 1.0 1.861 4.035 663 489 A 14 PHE HZ A 12 LYS HE2 1.0 1.861 4.035 664 489 A 14 PHE HZ A 12 LYS HE3 1.0 1.861 4.035 665 490 A 14 PHE HE2 A 12 LYS HE2 1.0 1.869 4.081 666 490 A 23 HIS HBx A 14 PHE HE1 1.0 1.869 4.081 667 490 A 14 PHE HE1 A 12 LYS HE3 1.0 1.869 4.081 668 490 A 23 HIS HBx A 14 PHE HE2 1.0 1.869 4.081 669 490 A 14 PHE HE2 A 12 LYS HE3 1.0 1.869 4.081 670 490 A 14 PHE HE1 A 12 LYS HE2 1.0 1.869 4.081 671 491 A 4 NLE HGx A 14 PHE HE1 1.0 1.870 4.092 672 491 A 14 PHE HE2 A 20 LEU HDy% 1.0 1.870 4.092 673 491 A 21 GLN HE2x A 20 LEU HDy% 1.0 1.870 4.092 674 491 A 4 NLE HGy A 14 PHE HE1 1.0 1.870 4.092 675 491 A 14 PHE HE1 A 20 LEU HDy% 1.0 1.870 4.092 676 491 A 4 NLE HGx A 14 PHE HE2 1.0 1.870 4.092 677 491 A 4 NLE HGy A 14 PHE HE2 1.0 1.870 4.092 678 492 A 26 THR HG2% A 27 HIS H 1.0 1.873 4.111 679 492 A 28 THR HG2% A 27 HIS H 1.0 1.873 4.111 680 493 A 7 TRP H A 10 CYS HBy 1.0 1.883 4.183 681 493 A 5 CYS HBx A 7 TRP H 1.0 1.883 4.183 682 494 A 28 THR HA A 30 GLU H 1.0 1.884 4.190 683 494 A 18 ASP HA A 21 GLN H 1.0 1.884 4.190 684 495 A 18 ASP HBx A 19 GLU HBx 1.0 1.905 4.351 685 495 A 14 PHE HBy A 19 GLU HBx 1.0 1.905 4.351 686 496 A 12 LYS HGx A 12 LYS H 1.0 1.906 4.360 687 496 A 12 LYS H A 6 THR HG2% 1.0 1.906 4.360 688 497 A 14 PHE HBx A 20 LEU HDx% 1.0 1.919 4.471 689 497 A 20 LEU HDx% A 24 LYS HA 1.0 1.919 4.471 690 498 A 6 THR HG2% A 6 THR HB 1.0 1.930 4.576 691 498 A 15 THR HB A 15 THR HG2% 1.0 1.930 4.576 692 499 A 29 GLY H A 30 GLU HA 1.0 1.948 4.760 693 499 A 28 THR HB A 29 GLY H 1.0 1.948 4.760 694 500 A 10 CYS HA A 27 HIS HE1 1.0 1.947 4.761 695 500 A 10 CYS HA A 12 LYS H 1.0 1.947 4.761 696 501 A 21 GLN HA A 22 ARG H 1.0 1.950 4.792 697 501 A 22 ARG H A 19 GLU HA 1.0 1.950 4.792 698 502 A 10 CYS H A 27 HIS HE1 1.0 1.963 4.947 699 502 A 10 CYS H A 12 LYS H 1.0 1.963 4.947 700 503 A 22 ARG HG2 A 23 HIS H 1.0 1.965 4.975 701 503 A 22 ARG HG3 A 23 HIS H 1.0 1.965 4.975 702 503 A 22 ARG HG2 A 22 ARG H 1.0 1.965 4.975 703 503 A 22 ARG HG3 A 22 ARG H 1.0 1.965 4.975 704 504 A 26 THR HG2% A 23 HIS HD2 1.0 1.997 5.693 705 504 A 20 LEU HDy% A 23 HIS HD2 1.0 1.997 5.693 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 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 10 CYS H A 7 TRP O 1.0 1.8 2.0 10 10 A 7 TRP O A 10 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_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 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 4 NLE C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -90.0 -40.0 PHI 4 4 A 12 LYS C A 13 ARG N A 13 ARG CA A 13 ARG 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 16 ARG C A 17 SER N A 17 SER CA A 17 SER C 1.0 -90.0 -40.0 PHI 7 7 A 17 SER C A 18 ASP N A 18 ASP CA A 18 ASP C 1.0 -90.0 -40.0 PHI 8 8 A 22 ARG C A 23 HIS N A 23 HIS CA A 23 HIS C 1.0 -90.0 -40.0 PHI stop_ save_