data_nef_c36047_5x0s 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 5X0S 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 20 CYS SG 1 46 CYS SG 1 24 CYS SG 1 48 CYS SG 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 GLU start . . 2 A 2 VAL middle . . 3 A 3 ILE middle . . 4 A 4 LYS middle . . 5 A 5 LYS middle . . 6 A 6 ASP middle . . 7 A 7 THR middle . . 8 A 8 PRO middle . false 9 A 9 TYR middle . . 10 A 10 LYS middle . . 11 A 11 LYS middle . . 12 A 12 ARG middle . . 13 A 13 LYS middle . . 14 A 14 PHE middle . . 15 A 15 PRO middle . false 16 A 16 TYR middle . . 17 A 17 LYS middle . . 18 A 18 SER middle . . 19 A 19 GLU middle . . 20 A 20 CYS middle -HG . 21 A 21 LEU middle . . 22 A 22 LYS middle . . 23 A 23 ALA middle . . 24 A 24 CYS middle -HG . 25 A 25 ALA middle . . 26 A 26 THR middle . . 27 A 27 SER middle . . 28 A 28 PHE middle . . 29 A 29 THR middle . . 30 A 30 GLY middle . false 31 A 31 GLY middle . false 32 A 32 ASP middle . . 33 A 33 GLU middle . . 34 A 34 SER middle . . 35 A 35 ARG middle . . 36 A 36 ILE middle . . 37 A 37 GLN middle . . 38 A 38 GLU middle . . 39 A 39 GLY middle . false 40 A 40 LYS middle . . 41 A 41 PRO middle . false 42 A 42 GLY middle . false 43 A 43 PHE middle . . 44 A 44 PHE middle . . 45 A 45 LYS middle . . 46 A 46 CYS middle -HG . 47 A 47 THR middle . . 48 A 48 CYS middle -HG . 49 A 49 TYR middle . . 50 A 50 PHE middle . . 51 A 51 THR middle . . 52 A 52 THR middle . . 53 A 53 GLY end . false 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 GLU HA H 1 4.032 0.01 A 1 GLU HBx H 1 2.016 0.01 A 1 GLU HBy H 1 2.016 0.01 A 1 GLU HGx H 1 2.220 0.01 A 1 GLU HGy H 1 2.220 0.01 A 2 VAL H H 1 8.619 0.01 A 2 VAL HA H 1 4.336 0.01 A 2 VAL HB H 1 1.868 0.01 A 2 VAL HGx% H 1 0.853 0.01 A 2 VAL HGy% H 1 0.802 0.01 A 3 ILE H H 1 8.829 0.01 A 3 ILE HA H 1 3.928 0.01 A 3 ILE HB H 1 1.422 0.01 A 3 ILE HD1% H 1 0.432 0.01 A 3 ILE HG1y H 1 0.839 0.01 A 3 ILE HG1x H 1 0.720 0.01 A 3 ILE HG2% H 1 0.528 0.01 A 4 LYS H H 1 7.601 0.01 A 4 LYS HA H 1 5.145 0.01 A 4 LYS HBx H 1 1.278 0.01 A 4 LYS HBy H 1 1.278 0.01 A 4 LYS HDy H 1 1.398 0.01 A 4 LYS HDx H 1 1.069 0.01 A 4 LYS HEx H 1 2.751 0.01 A 4 LYS HEy H 1 2.751 0.01 A 4 LYS HGx H 1 0.535 0.01 A 5 LYS H H 1 8.828 0.01 A 5 LYS HA H 1 4.397 0.01 A 5 LYS HBx H 1 1.511 0.01 A 5 LYS HBy H 1 1.511 0.01 A 5 LYS HDy H 1 1.362 0.01 A 5 LYS HDx H 1 1.219 0.01 A 5 LYS HEx H 1 2.936 0.01 A 5 LYS HEy H 1 2.952 0.01 A 5 LYS HGx H 1 0.927 0.01 A 5 LYS HGy H 1 0.927 0.01 A 6 ASP H H 1 8.559 0.01 A 6 ASP HA H 1 4.864 0.01 A 6 ASP HBy H 1 2.620 0.01 A 6 ASP HBx H 1 2.481 0.01 A 7 THR H H 1 9.078 0.01 A 7 THR HA H 1 5.252 0.01 A 7 THR HB H 1 4.174 0.01 A 7 THR HG2% H 1 1.058 0.01 A 8 PRO HA H 1 4.528 0.01 A 8 PRO HBy H 1 1.973 0.01 A 8 PRO HBx H 1 1.825 0.01 A 8 PRO HGx H 1 1.615 0.01 A 8 PRO HGy H 1 1.615 0.01 A 9 TYR H H 1 8.235 0.01 A 9 TYR HA H 1 4.323 0.01 A 9 TYR HBy H 1 2.966 0.01 A 9 TYR HBx H 1 2.389 0.01 A 9 TYR HDx H 1 7.034 0.01 A 9 TYR HDy H 1 7.034 0.01 A 9 TYR HEx H 1 6.640 0.01 A 9 TYR HEy H 1 6.640 0.01 A 10 LYS H H 1 8.016 0.01 A 10 LYS HA H 1 4.082 0.01 A 10 LYS HBy H 1 1.685 0.01 A 10 LYS HBx H 1 1.464 0.01 A 10 LYS HDx H 1 1.305 0.01 A 10 LYS HDy H 1 1.305 0.01 A 10 LYS HEx H 1 2.794 0.01 A 10 LYS HEy H 1 2.794 0.01 A 10 LYS HGx H 1 1.235 0.01 A 10 LYS HGy H 1 1.235 0.01 A 11 LYS H H 1 6.573 0.01 A 11 LYS HA H 1 3.907 0.01 A 11 LYS HBx H 1 1.702 0.01 A 11 LYS HBy H 1 1.702 0.01 A 11 LYS HDx H 1 1.328 0.01 A 11 LYS HDy H 1 1.328 0.01 A 11 LYS HEx H 1 2.865 0.01 A 11 LYS HEy H 1 2.865 0.01 A 11 LYS HGx H 1 1.202 0.01 A 11 LYS HGy H 1 1.202 0.01 A 12 ARG H H 1 7.119 0.01 A 12 ARG HA H 1 4.213 0.01 A 12 ARG HBy H 1 1.712 0.01 A 12 ARG HBx H 1 1.653 0.01 A 12 ARG HDy H 1 3.060 0.01 A 12 ARG HDx H 1 2.986 0.01 A 12 ARG HGx H 1 1.318 0.01 A 12 ARG HGy H 1 1.318 0.01 A 15 PRO HA H 1 4.164 0.01 A 15 PRO HDx H 1 3.596 0.01 A 15 PRO HDy H 1 3.596 0.01 A 16 TYR H H 1 7.835 0.01 A 16 TYR HA H 1 3.935 0.01 A 16 TYR HBy H 1 3.089 0.01 A 16 TYR HBx H 1 2.410 0.01 A 16 TYR HDx H 1 7.056 0.01 A 16 TYR HDy H 1 7.056 0.01 A 17 LYS H H 1 7.686 0.01 A 17 LYS HA H 1 4.935 0.01 A 17 LYS HBy H 1 1.947 0.01 A 17 LYS HBx H 1 1.792 0.01 A 18 SER H H 1 8.054 0.01 A 18 SER HA H 1 4.796 0.01 A 18 SER HBx H 1 4.654 0.01 A 18 SER HBy H 1 4.654 0.01 A 19 GLU H H 1 6.720 0.01 A 19 GLU HA H 1 4.044 0.01 A 19 GLU HBy H 1 2.337 0.01 A 19 GLU HBx H 1 2.293 0.01 A 19 GLU HGx H 1 1.620 0.01 A 19 GLU HGy H 1 1.620 0.01 A 20 CYS H H 1 7.928 0.01 A 20 CYS HA H 1 4.801 0.01 A 20 CYS HBy H 1 2.730 0.01 A 20 CYS HBx H 1 2.477 0.01 A 21 LEU H H 1 8.465 0.01 A 21 LEU HA H 1 3.858 0.01 A 21 LEU HBy H 1 1.775 0.01 A 21 LEU HBx H 1 1.730 0.01 A 21 LEU HDx% H 1 0.941 0.01 A 21 LEU HDy% H 1 0.878 0.01 A 21 LEU HG H 1 1.634 0.01 A 22 LYS H H 1 6.940 0.01 A 22 LYS HA H 1 4.033 0.01 A 22 LYS HBx H 1 1.925 0.01 A 22 LYS HBy H 1 1.925 0.01 A 22 LYS HDx H 1 1.711 0.01 A 22 LYS HDy H 1 1.711 0.01 A 22 LYS HEx H 1 2.989 0.01 A 22 LYS HEy H 1 2.989 0.01 A 22 LYS HGx H 1 1.525 0.01 A 22 LYS HGy H 1 1.525 0.01 A 23 ALA H H 1 8.588 0.01 A 23 ALA HA H 1 4.166 0.01 A 23 ALA HB% H 1 1.621 0.01 A 24 CYS H H 1 9.035 0.01 A 24 CYS HA H 1 4.379 0.01 A 24 CYS HBy H 1 3.278 0.01 A 24 CYS HBx H 1 2.837 0.01 A 25 ALA H H 1 7.930 0.01 A 25 ALA HA H 1 4.575 0.01 A 25 ALA HB% H 1 1.132 0.01 A 26 THR H H 1 8.728 0.01 A 26 THR HA H 1 4.165 0.01 A 26 THR HB H 1 3.597 0.01 A 26 THR HG2% H 1 1.170 0.01 A 27 SER H H 1 8.049 0.01 A 27 SER HA H 1 4.294 0.01 A 27 SER HBx H 1 3.044 0.01 A 27 SER HBy H 1 3.044 0.01 A 28 PHE H H 1 7.418 0.01 A 28 PHE HA H 1 4.709 0.01 A 28 PHE HBy H 1 3.171 0.01 A 28 PHE HBx H 1 2.661 0.01 A 29 THR H H 1 9.079 0.01 A 29 THR HA H 1 5.253 0.01 A 30 GLY H H 1 7.270 0.01 A 30 GLY HAx H 1 4.175 0.01 A 30 GLY HAy H 1 4.175 0.01 A 31 GLY H H 1 7.187 0.01 A 31 GLY HAx H 1 4.384 0.01 A 31 GLY HAy H 1 4.384 0.01 A 32 ASP H H 1 8.557 0.01 A 33 GLU H H 1 9.077 0.01 A 33 GLU HA H 1 3.789 0.01 A 34 SER H H 1 8.534 0.01 A 34 SER HA H 1 4.274 0.01 A 34 SER HBx H 1 3.995 0.01 A 34 SER HBy H 1 3.995 0.01 A 35 ARG H H 1 6.653 0.01 A 35 ARG HA H 1 4.361 0.01 A 35 ARG HBy H 1 2.693 0.01 A 35 ARG HBx H 1 1.769 0.01 A 35 ARG HDy H 1 3.276 0.01 A 35 ARG HDx H 1 3.181 0.01 A 35 ARG HE H 1 6.810 0.01 A 35 ARG HGy H 1 1.566 0.01 A 35 ARG HGx H 1 1.486 0.01 A 36 ILE H H 1 7.411 0.01 A 36 ILE HA H 1 4.426 0.01 A 36 ILE HB H 1 2.469 0.01 A 36 ILE HD1% H 1 0.626 0.01 A 36 ILE HG1x H 1 1.361 0.01 A 36 ILE HG1y H 1 1.361 0.01 A 36 ILE HG2% H 1 0.835 0.01 A 37 GLN H H 1 9.085 0.01 A 37 GLN HA H 1 4.209 0.01 A 37 GLN HBy H 1 1.993 0.01 A 37 GLN HBx H 1 1.886 0.01 A 37 GLN HGy H 1 2.285 0.01 A 37 GLN HGx H 1 2.215 0.01 A 38 GLU H H 1 7.815 0.01 A 38 GLU HA H 1 4.466 0.01 A 38 GLU HBy H 1 2.005 0.01 A 38 GLU HBx H 1 1.684 0.01 A 38 GLU HGx H 1 2.140 0.01 A 38 GLU HGy H 1 2.140 0.01 A 39 GLY H H 1 8.689 0.01 A 39 GLY HAy H 1 5.149 0.01 A 39 GLY HAx H 1 2.949 0.01 A 40 LYS H H 1 9.522 0.01 A 40 LYS HA H 1 4.923 0.01 A 40 LYS HBy H 1 2.019 0.01 A 40 LYS HBx H 1 1.870 0.01 A 40 LYS HDx H 1 1.761 0.01 A 40 LYS HDy H 1 1.761 0.01 A 40 LYS HGy H 1 1.491 0.01 A 40 LYS HGx H 1 1.455 0.01 A 41 PRO HA H 1 4.678 0.01 A 41 PRO HBx H 1 2.055 0.01 A 41 PRO HBy H 1 2.055 0.01 A 41 PRO HDx H 1 3.742 0.01 A 41 PRO HDy H 1 3.742 0.01 A 41 PRO HGy H 1 1.471 0.01 A 41 PRO HGx H 1 1.237 0.01 A 42 GLY H H 1 8.475 0.01 A 42 GLY HAx H 1 3.559 0.01 A 42 GLY HAy H 1 4.444 0.01 A 43 PHE H H 1 8.354 0.01 A 43 PHE HA H 1 4.599 0.01 A 43 PHE HBy H 1 3.063 0.01 A 43 PHE HBx H 1 3.015 0.01 A 44 PHE H H 1 9.806 0.01 A 44 PHE HA H 1 4.513 0.01 A 44 PHE HBy H 1 3.230 0.01 A 44 PHE HBx H 1 2.509 0.01 A 45 LYS H H 1 7.613 0.01 A 45 LYS HA H 1 5.045 0.01 A 45 LYS HBx H 1 1.978 0.01 A 45 LYS HBy H 1 1.978 0.01 A 45 LYS HDx H 1 0.908 0.01 A 45 LYS HDy H 1 0.908 0.01 A 45 LYS HGx H 1 1.616 0.01 A 45 LYS HGy H 1 1.616 0.01 A 46 CYS H H 1 8.797 0.01 A 46 CYS HA H 1 5.093 0.01 A 46 CYS HBy H 1 2.495 0.01 A 46 CYS HBx H 1 2.433 0.01 A 47 THR H H 1 9.288 0.01 A 47 THR HA H 1 4.866 0.01 A 47 THR HB H 1 3.935 0.01 A 47 THR HG2% H 1 1.019 0.01 A 48 CYS H H 1 9.148 0.01 A 48 CYS HA H 1 5.288 0.01 A 48 CYS HBy H 1 3.370 0.01 A 48 CYS HBx H 1 2.866 0.01 A 49 TYR H H 1 9.085 0.01 A 49 TYR HA H 1 5.594 0.01 A 49 TYR HBy H 1 3.072 0.01 A 49 TYR HBx H 1 2.641 0.01 A 49 TYR HDx H 1 6.655 0.01 A 49 TYR HDy H 1 6.655 0.01 A 49 TYR HEx H 1 6.572 0.01 A 49 TYR HEy H 1 6.572 0.01 A 50 PHE H H 1 9.199 0.01 A 50 PHE HA H 1 5.759 0.01 A 50 PHE HBy H 1 3.060 0.01 A 50 PHE HBx H 1 2.880 0.01 A 51 THR H H 1 8.653 0.01 A 51 THR HA H 1 5.161 0.01 A 51 THR HB H 1 4.350 0.01 A 51 THR HG2% H 1 1.223 0.01 A 52 THR H H 1 8.356 0.01 A 52 THR HA H 1 4.450 0.01 A 52 THR HB H 1 4.390 0.01 A 52 THR HG2% H 1 1.223 0.01 A 53 GLY H H 1 8.012 0.01 A 53 GLY HAy H 1 3.805 0.01 A 53 GLY HAx H 1 3.741 0.01 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 GLU HA A 2 VAL HGx% 1.0 1.8 6.0 2 2 A 1 GLU HA A 2 VAL HGy% 1.0 1.8 6.0 3 3 A 1 GLU HA A 2 VAL H 1.0 1.8 4.0 4 4 A 2 VAL H A 1 GLU HBy 1.0 1.8 5.0 5 5 A 2 VAL H A 1 GLU HBx 1.0 1.8 5.0 6 6 A 2 VAL H A 1 GLU HGy 1.0 1.8 6.0 7 7 A 2 VAL H A 1 GLU HGx 1.0 1.8 6.0 8 8 A 2 VAL H A 2 VAL HA 1.0 1.8 3.0 9 9 A 2 VAL H A 2 VAL HB 1.0 1.8 4.0 10 10 A 2 VAL HGx% A 2 VAL H 1.0 1.8 6.0 11 11 A 2 VAL HGy% A 2 VAL H 1.0 1.8 6.0 12 12 A 2 VAL H A 3 ILE H 1.0 1.8 5.0 13 13 A 2 VAL HA A 3 ILE HG1x 1.0 1.8 6.0 14 13 A 2 VAL HA A 3 ILE HG1y 1.0 1.8 6.0 15 14 A 2 VAL HA A 3 ILE HG2% 1.0 1.8 6.0 16 15 A 2 VAL HA A 3 ILE HD1% 1.0 1.8 6.0 17 16 A 2 VAL HA A 3 ILE H 1.0 1.8 4.0 18 17 A 2 VAL HB A 3 ILE H 1.0 1.8 5.0 19 18 A 2 VAL HGx% A 3 ILE H 1.0 1.8 6.0 20 19 A 2 VAL HGy% A 3 ILE H 1.0 1.8 6.0 21 20 A 3 ILE H A 3 ILE HA 1.0 1.8 3.0 22 21 A 3 ILE H A 3 ILE HB 1.0 1.8 5.0 23 22 A 3 ILE H A 3 ILE HG1x 1.0 1.8 6.0 24 23 A 3 ILE H A 3 ILE HG1y 1.0 1.8 6.0 25 24 A 3 ILE H A 3 ILE HG2% 1.0 1.8 6.0 26 25 A 3 ILE H A 3 ILE HD1% 1.0 1.8 6.0 27 26 A 2 VAL HB A 3 ILE HA 1.0 1.8 6.0 28 27 A 2 VAL HGy% A 3 ILE HA 1.0 1.8 6.0 29 28 A 3 ILE HA A 4 LYS HA 1.0 1.8 6.0 30 29 A 3 ILE HA A 4 LYS HDy 1.0 1.8 6.0 31 29 A 3 ILE HA A 4 LYS HDx 1.0 1.8 6.0 32 30 A 3 ILE HA A 4 LYS H 1.0 1.8 4.0 33 31 A 3 ILE HB A 4 LYS H 1.0 1.8 5.0 34 32 A 4 LYS H A 3 ILE HG1x 1.0 1.8 6.0 35 33 A 3 ILE HG1y A 4 LYS H 1.0 1.8 6.0 36 34 A 3 ILE HG2% A 4 LYS H 1.0 1.8 6.0 37 35 A 3 ILE HD1% A 4 LYS H 1.0 1.8 6.0 38 36 A 4 LYS HA A 4 LYS H 1.0 1.8 3.0 39 37 A 4 LYS H A 4 LYS HBy 1.0 1.8 5.0 40 38 A 4 LYS H A 4 LYS HBx 1.0 1.8 5.0 41 39 A 4 LYS H A 4 LYS HGy 1.0 1.8 6.0 42 40 A 4 LYS H A 4 LYS HGx 1.0 1.8 6.0 43 41 A 4 LYS HDx A 4 LYS H 1.0 1.8 6.0 44 42 A 4 LYS H A 4 LYS HDy 1.0 1.8 6.0 45 43 A 3 ILE H A 4 LYS H 1.0 1.8 5.0 46 44 A 4 LYS HA A 47 THR HG2% 1.0 1.8 6.0 47 45 A 4 LYS HA A 49 TYR HA 1.0 1.8 5.0 48 46 A 4 LYS HA A 5 LYS H 1.0 1.8 3.0 49 47 A 4 LYS HBy A 5 LYS H 1.0 1.8 5.0 50 48 A 4 LYS HBx A 5 LYS H 1.0 1.8 5.0 51 49 A 4 LYS HGy A 5 LYS H 1.0 1.8 6.0 52 50 A 4 LYS HGx A 5 LYS H 1.0 1.8 6.0 53 51 A 4 LYS HDx A 5 LYS H 1.0 1.8 6.0 54 52 A 5 LYS H A 4 LYS HDy 1.0 1.8 6.0 55 53 A 5 LYS H A 5 LYS HA 1.0 1.8 3.0 56 54 A 5 LYS H A 5 LYS HBy 1.0 1.8 5.0 57 55 A 5 LYS H A 5 LYS HBx 1.0 1.8 5.0 58 56 A 5 LYS H A 5 LYS HGy 1.0 1.8 6.0 59 57 A 5 LYS H A 5 LYS HGx 1.0 1.8 6.0 60 58 A 5 LYS H A 5 LYS HDx 1.0 1.8 6.0 61 59 A 5 LYS H A 5 LYS HDy 1.0 1.8 6.0 62 60 A 5 LYS H A 6 ASP HA 1.0 1.8 5.0 63 61 A 5 LYS H A 47 THR HA 1.0 1.8 6.0 64 62 A 47 THR HG2% A 5 LYS H 1.0 1.8 6.0 65 63 A 5 LYS H A 48 CYS HBx 1.0 1.8 6.0 66 64 A 5 LYS H A 48 CYS HBy 1.0 1.8 6.0 67 65 A 49 TYR HA A 5 LYS H 1.0 1.8 4.0 68 66 A 5 LYS H A 49 TYR HBx 1.0 1.8 6.0 69 66 A 5 LYS H A 49 TYR HBy 1.0 1.8 6.0 70 67 A 5 LYS H A 49 TYR HD% 1.0 1.8 6.0 71 68 A 5 LYS H A 49 TYR HE% 1.0 1.8 6.0 72 69 A 4 LYS H A 5 LYS H 1.0 1.8 5.0 73 70 A 5 LYS H A 6 ASP H 1.0 1.8 5.0 74 71 A 5 LYS H A 48 CYS H 1.0 1.8 4.5 75 72 A 5 LYS H A 49 TYR H 1.0 1.8 6.0 76 73 A 5 LYS H A 50 PHE H 1.0 1.8 4.5 77 74 A 5 LYS HA A 6 ASP H 1.0 1.8 3.0 78 75 A 5 LYS HBy A 6 ASP H 1.0 1.8 6.0 79 76 A 5 LYS HBx A 6 ASP H 1.0 1.8 6.0 80 77 A 6 ASP H A 5 LYS HGy 1.0 1.8 6.0 81 78 A 6 ASP H A 5 LYS HGx 1.0 1.8 6.0 82 79 A 6 ASP H A 5 LYS HDx 1.0 1.8 6.0 83 80 A 6 ASP H A 5 LYS HDy 1.0 1.8 6.0 84 81 A 6 ASP HA A 6 ASP H 1.0 1.8 3.0 85 82 A 6 ASP H A 6 ASP HBx 1.0 1.8 5.0 86 83 A 6 ASP H A 6 ASP HBy 1.0 1.8 5.0 87 84 A 6 ASP H A 7 THR H 1.0 1.8 5.0 88 85 A 47 THR HA A 6 ASP H 1.0 1.8 6.0 89 86 A 6 ASP H A 47 THR HB 1.0 1.8 6.0 90 87 A 47 THR HG2% A 6 ASP H 1.0 1.8 6.0 91 88 A 6 ASP HA A 47 THR HA 1.0 1.8 4.5 92 89 A 47 THR HG2% A 6 ASP HA 1.0 1.8 6.0 93 90 A 6 ASP HA A 7 THR H 1.0 1.8 3.0 94 91 A 6 ASP HBx A 7 THR H 1.0 1.8 5.0 95 92 A 6 ASP HBy A 7 THR H 1.0 1.8 5.0 96 93 A 7 THR H A 7 THR HA 1.0 1.8 3.0 97 94 A 7 THR H A 7 THR HB 1.0 1.8 4.0 98 95 A 7 THR H A 7 THR HG2% 1.0 1.8 6.0 99 96 A 7 THR H A 21 LEU HA 1.0 1.8 6.0 100 97 A 7 THR H A 23 ALA HB% 1.0 1.8 6.0 101 98 A 7 THR H A 24 CYS HBx 1.0 1.8 6.0 102 98 A 7 THR H A 24 CYS HBy 1.0 1.8 6.0 103 99 A 7 THR HG2% A 23 ALA HB% 1.0 1.8 5.0 104 100 A 7 THR HG2% A 24 CYS HA 1.0 1.8 4.5 105 101 A 7 THR H A 45 LYS HA 1.0 1.8 6.0 106 102 A 47 THR HA A 7 THR H 1.0 1.8 4.0 107 103 A 7 THR H A 47 THR HB 1.0 1.8 6.0 108 104 A 47 THR HG2% A 7 THR H 1.0 1.8 6.0 109 105 A 7 THR H A 47 THR H 1.0 1.8 6.0 110 106 A 7 THR H A 46 CYS H 1.0 1.8 4.5 111 107 A 48 CYS H A 7 THR H 1.0 1.8 4.5 112 108 A 9 TYR H A 8 PRO HA 1.0 1.8 4.0 113 109 A 9 TYR H A 8 PRO HBx 1.0 1.8 5.0 114 110 A 9 TYR H A 8 PRO HBy 1.0 1.8 5.0 115 111 A 9 TYR H A 8 PRO HGy 1.0 1.8 6.0 116 112 A 9 TYR H A 8 PRO HGx 1.0 1.8 6.0 117 113 A 9 TYR H A 9 TYR HA 1.0 1.8 3.0 118 114 A 9 TYR H A 9 TYR HBx 1.0 1.8 4.0 119 115 A 9 TYR H A 9 TYR HBy 1.0 1.8 4.0 120 116 A 9 TYR H A 9 TYR HD% 1.0 1.8 5.0 121 117 A 45 LYS HA A 9 TYR H 1.0 1.8 4.0 122 118 A 9 TYR H A 10 LYS H 1.0 1.8 6.0 123 119 A 46 CYS H A 9 TYR H 1.0 1.8 5.0 124 120 A 9 TYR H A 10 LYS HA 1.0 1.8 6.0 125 121 A 9 TYR H A 10 LYS HBx 1.0 1.8 6.0 126 122 A 9 TYR H A 10 LYS HBy 1.0 1.8 6.0 127 123 A 9 TYR H A 10 LYS HGy 1.0 1.8 6.0 128 123 A 9 TYR H A 10 LYS HGx 1.0 1.8 6.0 129 124 A 9 TYR H A 44 PHE HBx 1.0 1.8 6.0 130 125 A 9 TYR H A 44 PHE HBy 1.0 1.8 6.0 131 126 A 23 ALA HB% A 9 TYR HD% 1.0 1.8 6.0 132 127 A 8 PRO HA A 10 LYS H 1.0 1.8 5.0 133 128 A 10 LYS H A 8 PRO HBx 1.0 1.8 5.0 134 128 A 10 LYS H A 8 PRO HBy 1.0 1.8 5.0 135 129 A 9 TYR HA A 10 LYS H 1.0 1.8 4.0 136 130 A 9 TYR HBx A 10 LYS H 1.0 1.8 5.0 137 131 A 9 TYR HBy A 10 LYS H 1.0 1.8 5.0 138 132 A 9 TYR HD% A 10 LYS H 1.0 1.8 6.0 139 133 A 10 LYS H A 9 TYR HE% 1.0 1.8 6.0 140 134 A 10 LYS H A 10 LYS HA 1.0 1.8 3.0 141 135 A 10 LYS H A 10 LYS HBx 1.0 1.8 4.0 142 136 A 10 LYS H A 10 LYS HBy 1.0 1.8 4.0 143 137 A 10 LYS H A 10 LYS HGy 1.0 1.8 6.0 144 138 A 10 LYS H A 10 LYS HGx 1.0 1.8 6.0 145 139 A 10 LYS H A 10 LYS HDy 1.0 1.8 6.0 146 140 A 10 LYS H A 10 LYS HDx 1.0 1.8 6.0 147 141 A 10 LYS H A 11 LYS HA 1.0 1.8 6.0 148 142 A 10 LYS H A 11 LYS H 1.0 1.8 5.0 149 143 A 10 LYS H A 12 ARG H 1.0 1.8 6.0 150 144 A 10 LYS H A 44 PHE HA 1.0 1.8 5.0 151 145 A 9 TYR HA A 11 LYS H 1.0 1.8 5.0 152 146 A 10 LYS HA A 11 LYS H 1.0 1.8 4.0 153 147 A 10 LYS HBx A 11 LYS H 1.0 1.8 5.0 154 148 A 10 LYS HBy A 11 LYS H 1.0 1.8 5.0 155 149 A 11 LYS H A 10 LYS HGy 1.0 1.8 6.0 156 150 A 10 LYS HGx A 11 LYS H 1.0 1.8 6.0 157 151 A 10 LYS HDy A 11 LYS H 1.0 1.8 6.0 158 152 A 10 LYS HDx A 11 LYS H 1.0 1.8 6.0 159 153 A 11 LYS HA A 11 LYS H 1.0 1.8 3.0 160 154 A 11 LYS H A 11 LYS HBy 1.0 1.8 5.0 161 155 A 11 LYS H A 11 LYS HBx 1.0 1.8 5.0 162 156 A 11 LYS H A 11 LYS HGy 1.0 1.8 6.0 163 157 A 11 LYS H A 11 LYS HGx 1.0 1.8 6.0 164 158 A 11 LYS H A 11 LYS HDy 1.0 1.8 6.0 165 159 A 11 LYS H A 11 LYS HDx 1.0 1.8 6.0 166 160 A 11 LYS H A 11 LYS HEy 1.0 1.8 6.0 167 161 A 11 LYS H A 11 LYS HEx 1.0 1.8 6.0 168 162 A 9 TYR HA A 12 ARG H 1.0 1.8 6.0 169 163 A 10 LYS HA A 12 ARG H 1.0 1.8 5.5 170 164 A 11 LYS HA A 12 ARG H 1.0 1.8 4.0 171 165 A 12 ARG H A 11 LYS HBy 1.0 1.8 5.0 172 166 A 12 ARG H A 11 LYS HBx 1.0 1.8 5.0 173 167 A 12 ARG H A 11 LYS HGy 1.0 1.8 6.0 174 168 A 12 ARG H A 11 LYS HGx 1.0 1.8 6.0 175 169 A 12 ARG H A 11 LYS HDy 1.0 1.8 6.0 176 170 A 12 ARG H A 11 LYS HDx 1.0 1.8 6.0 177 171 A 12 ARG H A 12 ARG HA 1.0 1.8 3.0 178 172 A 12 ARG H A 12 ARG HBx 1.0 1.8 4.0 179 173 A 12 ARG H A 12 ARG HBy 1.0 1.8 4.0 180 174 A 12 ARG H A 12 ARG HGy 1.0 1.8 6.0 181 175 A 12 ARG H A 12 ARG HGx 1.0 1.8 6.0 182 176 A 12 ARG H A 12 ARG HDx 1.0 1.8 6.0 183 177 A 12 ARG H A 12 ARG HDy 1.0 1.8 6.0 184 178 A 11 LYS H A 12 ARG H 1.0 1.8 5.0 185 179 A 9 TYR HBx A 12 ARG H 1.0 1.8 6.0 186 180 A 9 TYR HBy A 12 ARG H 1.0 1.8 6.0 187 181 A 9 TYR HD% A 12 ARG H 1.0 1.8 5.0 188 182 A 9 TYR HE% A 12 ARG H 1.0 1.8 5.0 189 183 A 12 ARG H A 19 GLU HGx 1.0 1.8 6.0 190 183 A 12 ARG H A 19 GLU HGy 1.0 1.8 6.0 191 184 A 16 TYR H A 15 PRO HA 1.0 1.8 4.0 192 185 A 16 TYR H A 15 PRO HDy 1.0 1.8 6.0 193 186 A 16 TYR H A 15 PRO HDx 1.0 1.8 6.0 194 187 A 16 TYR H A 16 TYR HA 1.0 1.8 3.0 195 188 A 16 TYR H A 16 TYR HBx 1.0 1.8 4.0 196 189 A 16 TYR H A 16 TYR HBy 1.0 1.8 4.0 197 190 A 16 TYR H A 16 TYR HD% 1.0 1.8 5.0 198 191 A 16 TYR H A 17 LYS HA 1.0 1.8 6.0 199 192 A 16 TYR H A 17 LYS HBx 1.0 1.8 6.0 200 193 A 16 TYR H A 17 LYS HBy 1.0 1.8 6.0 201 194 A 16 TYR H A 17 LYS H 1.0 1.8 4.0 202 195 A 16 TYR H A 18 SER H 1.0 1.8 5.0 203 196 A 16 TYR H A 20 CYS H 1.0 1.8 6.0 204 197 A 16 TYR HA A 17 LYS H 1.0 1.8 4.0 205 198 A 16 TYR HBx A 17 LYS H 1.0 1.8 5.0 206 199 A 16 TYR HBy A 17 LYS H 1.0 1.8 5.0 207 200 A 16 TYR HD% A 17 LYS H 1.0 1.8 6.0 208 201 A 17 LYS HA A 17 LYS H 1.0 1.8 3.0 209 202 A 17 LYS HBx A 17 LYS H 1.0 1.8 4.0 210 203 A 17 LYS HBy A 17 LYS H 1.0 1.8 4.0 211 204 A 15 PRO HA A 17 LYS H 1.0 1.8 6.0 212 205 A 17 LYS H A 18 SER H 1.0 1.8 5.0 213 206 A 17 LYS H A 20 CYS HA 1.0 1.8 6.0 214 207 A 16 TYR HA A 18 SER H 1.0 1.8 4.5 215 208 A 16 TYR HBx A 18 SER H 1.0 1.8 6.0 216 209 A 16 TYR HBy A 18 SER H 1.0 1.8 6.0 217 210 A 17 LYS HA A 18 SER H 1.0 1.8 4.0 218 211 A 17 LYS HBx A 18 SER H 1.0 1.8 5.0 219 212 A 17 LYS HBy A 18 SER H 1.0 1.8 5.0 220 213 A 18 SER H A 18 SER HA 1.0 1.8 3.0 221 214 A 18 SER H A 18 SER HBy 1.0 1.8 4.0 222 215 A 18 SER H A 18 SER HBx 1.0 1.8 4.0 223 216 A 16 TYR HD% A 18 SER H 1.0 1.8 6.0 224 217 A 18 SER H A 20 CYS H 1.0 1.8 4.5 225 218 A 18 SER HA A 21 LEU HBy 1.0 1.8 4.0 226 218 A 18 SER HA A 21 LEU HBx 1.0 1.8 4.0 227 219 A 16 TYR HA A 19 GLU H 1.0 1.8 5.0 228 220 A 18 SER HA A 19 GLU H 1.0 1.8 4.0 229 221 A 18 SER HBy A 19 GLU H 1.0 1.8 5.0 230 222 A 18 SER HBx A 19 GLU H 1.0 1.8 5.0 231 223 A 19 GLU H A 19 GLU HA 1.0 1.8 3.0 232 224 A 19 GLU H A 19 GLU HBx 1.0 1.8 4.0 233 225 A 19 GLU H A 19 GLU HBy 1.0 1.8 4.0 234 226 A 19 GLU H A 19 GLU HGx 1.0 1.8 5.0 235 226 A 19 GLU HGy A 19 GLU H 1.0 1.8 5.0 236 227 A 19 GLU H A 20 CYS HBx 1.0 1.8 6.0 237 228 A 19 GLU H A 20 CYS HBy 1.0 1.8 6.0 238 229 A 20 CYS H A 19 GLU H 1.0 1.8 3.0 239 230 A 19 GLU H A 21 LEU H 1.0 1.8 4.5 240 231 A 19 GLU H A 22 LYS H 1.0 1.8 5.5 241 232 A 19 GLU HA A 22 LYS HBy 1.0 1.8 4.0 242 233 A 19 GLU HA A 22 LYS HBx 1.0 1.8 4.0 243 234 A 19 GLU HA A 22 LYS HEx 1.0 1.8 6.0 244 234 A 19 GLU HA A 22 LYS HEy 1.0 1.8 6.0 245 235 A 20 CYS H A 19 GLU HA 1.0 1.8 4.0 246 236 A 20 CYS H A 19 GLU HBx 1.0 1.8 4.0 247 237 A 20 CYS H A 19 GLU HBy 1.0 1.8 4.0 248 238 A 20 CYS H A 19 GLU HGx 1.0 1.8 5.0 249 238 A 19 GLU HGy A 20 CYS H 1.0 1.8 5.0 250 239 A 20 CYS H A 20 CYS HA 1.0 1.8 3.0 251 240 A 20 CYS H A 20 CYS HBx 1.0 1.8 4.0 252 241 A 20 CYS H A 20 CYS HBy 1.0 1.8 4.0 253 242 A 16 TYR HA A 20 CYS H 1.0 1.8 6.0 254 243 A 16 TYR HD% A 20 CYS H 1.0 1.8 6.0 255 244 A 20 CYS H A 18 SER HA 1.0 1.8 5.0 256 245 A 21 LEU HA A 20 CYS H 1.0 1.8 6.0 257 246 A 20 CYS H A 21 LEU HBx 1.0 1.8 5.0 258 247 A 20 CYS H A 21 LEU HBy 1.0 1.8 5.0 259 248 A 20 CYS H A 21 LEU HDx% 1.0 1.8 6.0 260 249 A 20 CYS H A 21 LEU HDy% 1.0 1.8 6.0 261 250 A 20 CYS H A 21 LEU H 1.0 1.8 3.0 262 251 A 20 CYS H A 22 LYS H 1.0 1.8 4.5 263 252 A 20 CYS H A 23 ALA H 1.0 1.8 5.5 264 253 A 20 CYS H A 41 PRO HA 1.0 1.8 6.0 265 254 A 20 CYS H A 41 PRO HBy 1.0 1.8 6.0 266 254 A 20 CYS H A 41 PRO HBx 1.0 1.8 6.0 267 255 A 23 ALA HB% A 20 CYS HA 1.0 1.8 4.5 268 256 A 17 LYS HA A 21 LEU H 1.0 1.8 5.0 269 257 A 18 SER HA A 21 LEU H 1.0 1.8 4.0 270 258 A 19 GLU HA A 21 LEU H 1.0 1.8 5.0 271 259 A 21 LEU H A 19 GLU HBy 1.0 1.8 6.0 272 259 A 21 LEU H A 19 GLU HBx 1.0 1.8 6.0 273 260 A 20 CYS HA A 21 LEU H 1.0 1.8 4.0 274 261 A 21 LEU H A 20 CYS HBx 1.0 1.8 4.0 275 262 A 21 LEU H A 20 CYS HBy 1.0 1.8 4.0 276 263 A 21 LEU HA A 21 LEU H 1.0 1.8 3.0 277 264 A 21 LEU HBx A 21 LEU H 1.0 1.8 4.0 278 265 A 21 LEU H A 21 LEU HBy 1.0 1.8 4.0 279 266 A 21 LEU H A 21 LEU HG 1.0 1.8 6.0 280 267 A 21 LEU H A 21 LEU HDx% 1.0 1.8 6.0 281 268 A 21 LEU H A 21 LEU HDy% 1.0 1.8 6.0 282 269 A 21 LEU H A 22 LYS HBy 1.0 1.8 6.0 283 269 A 21 LEU H A 22 LYS HBx 1.0 1.8 6.0 284 270 A 21 LEU H A 22 LYS H 1.0 1.8 3.0 285 271 A 21 LEU H A 23 ALA H 1.0 1.8 4.5 286 272 A 21 LEU H A 24 CYS H 1.0 1.8 5.5 287 273 A 21 LEU HA A 24 CYS HBx 1.0 1.8 4.5 288 274 A 21 LEU HA A 24 CYS HBy 1.0 1.8 4.5 289 275 A 21 LEU HA A 22 LYS H 1.0 1.8 4.0 290 276 A 21 LEU HBx A 22 LYS H 1.0 1.8 5.0 291 277 A 22 LYS H A 21 LEU HBy 1.0 1.8 5.0 292 278 A 22 LYS H A 21 LEU HG 1.0 1.8 6.0 293 279 A 22 LYS H A 21 LEU HDx% 1.0 1.8 6.0 294 280 A 22 LYS H A 21 LEU HDy% 1.0 1.8 6.0 295 281 A 22 LYS H A 22 LYS HA 1.0 1.8 3.0 296 282 A 22 LYS H A 22 LYS HBy 1.0 1.8 4.0 297 283 A 22 LYS H A 22 LYS HBx 1.0 1.8 4.0 298 284 A 22 LYS H A 22 LYS HGy 1.0 1.8 5.0 299 285 A 22 LYS H A 22 LYS HGx 1.0 1.8 5.0 300 286 A 18 SER HA A 22 LYS H 1.0 1.8 5.0 301 287 A 19 GLU HA A 22 LYS H 1.0 1.8 4.0 302 288 A 20 CYS HA A 22 LYS H 1.0 1.8 5.0 303 289 A 22 LYS H A 23 ALA HA 1.0 1.8 6.0 304 290 A 22 LYS H A 23 ALA H 1.0 1.8 3.0 305 291 A 22 LYS H A 24 CYS H 1.0 1.8 4.5 306 292 A 22 LYS H A 25 ALA H 1.0 1.8 5.5 307 293 A 22 LYS H A 25 ALA HB% 1.0 1.8 6.0 308 294 A 22 LYS HA A 25 ALA HB% 1.0 1.8 4.0 309 295 A 23 ALA H A 22 LYS HA 1.0 1.8 4.0 310 296 A 23 ALA H A 22 LYS HBy 1.0 1.8 5.0 311 297 A 23 ALA H A 22 LYS HBx 1.0 1.8 5.0 312 298 A 23 ALA H A 22 LYS HGy 1.0 1.8 6.0 313 299 A 23 ALA H A 22 LYS HGx 1.0 1.8 6.0 314 300 A 23 ALA H A 22 LYS HDy 1.0 1.8 6.0 315 301 A 23 ALA H A 22 LYS HDx 1.0 1.8 6.0 316 302 A 23 ALA H A 23 ALA HA 1.0 1.8 3.0 317 303 A 23 ALA HB% A 23 ALA H 1.0 1.8 4.0 318 304 A 19 GLU HA A 23 ALA H 1.0 1.8 5.0 319 305 A 20 CYS HA A 23 ALA H 1.0 1.8 4.0 320 306 A 23 ALA H A 20 CYS HBx 1.0 1.8 6.0 321 306 A 23 ALA H A 20 CYS HBy 1.0 1.8 6.0 322 307 A 21 LEU HA A 23 ALA H 1.0 1.8 5.0 323 308 A 23 ALA H A 24 CYS H 1.0 1.8 3.0 324 309 A 24 CYS HA A 23 ALA H 1.0 1.8 6.0 325 310 A 23 ALA H A 24 CYS HBx 1.0 1.8 6.0 326 311 A 24 CYS HBy A 23 ALA H 1.0 1.8 6.0 327 312 A 23 ALA H A 25 ALA H 1.0 1.8 4.5 328 313 A 23 ALA H A 26 THR H 1.0 1.8 5.5 329 314 A 7 THR HG2% A 23 ALA H 1.0 1.8 6.0 330 315 A 23 ALA H A 25 ALA HB% 1.0 1.8 6.0 331 316 A 23 ALA HA A 26 THR HB 1.0 1.8 4.0 332 317 A 24 CYS H A 23 ALA HA 1.0 1.8 4.0 333 318 A 23 ALA HB% A 24 CYS H 1.0 1.8 5.0 334 319 A 24 CYS HA A 24 CYS H 1.0 1.8 3.0 335 320 A 24 CYS H A 24 CYS HBx 1.0 1.8 5.0 336 321 A 24 CYS HBy A 24 CYS H 1.0 1.8 5.0 337 322 A 7 THR HG2% A 24 CYS H 1.0 1.8 5.0 338 323 A 24 CYS H A 25 ALA HA 1.0 1.8 6.0 339 324 A 24 CYS H A 25 ALA HB% 1.0 1.8 5.0 340 325 A 24 CYS H A 36 ILE HG1x 1.0 1.8 6.0 341 325 A 24 CYS H A 36 ILE HG1y 1.0 1.8 6.0 342 326 A 24 CYS H A 36 ILE HG2% 1.0 1.8 6.0 343 327 A 24 CYS H A 36 ILE HD1% 1.0 1.8 6.0 344 328 A 20 CYS HA A 24 CYS H 1.0 1.8 5.0 345 329 A 21 LEU HA A 24 CYS H 1.0 1.8 4.0 346 330 A 24 CYS H A 21 LEU HBy 1.0 1.8 6.0 347 330 A 21 LEU HBx A 24 CYS H 1.0 1.8 6.0 348 331 A 21 LEU HDx% A 24 CYS H 1.0 1.8 6.0 349 332 A 21 LEU HDy% A 24 CYS H 1.0 1.8 6.0 350 333 A 24 CYS H A 22 LYS HA 1.0 1.8 5.0 351 334 A 24 CYS H A 22 LYS HBy 1.0 1.8 6.0 352 334 A 22 LYS HBx A 24 CYS H 1.0 1.8 6.0 353 335 A 24 CYS H A 25 ALA H 1.0 1.8 3.0 354 336 A 24 CYS H A 26 THR H 1.0 1.8 4.5 355 337 A 24 CYS H A 26 THR HB 1.0 1.8 6.0 356 338 A 24 CYS H A 27 SER H 1.0 1.8 5.5 357 339 A 24 CYS H A 27 SER HBy 1.0 1.8 6.0 358 339 A 24 CYS H A 27 SER HBx 1.0 1.8 6.0 359 340 A 24 CYS HA A 27 SER HBy 1.0 1.8 4.0 360 340 A 24 CYS HA A 27 SER HBx 1.0 1.8 4.0 361 341 A 24 CYS HA A 36 ILE HD1% 1.0 1.8 6.0 362 342 A 36 ILE HD1% A 24 CYS HBx 1.0 1.8 6.0 363 343 A 24 CYS HBy A 36 ILE HD1% 1.0 1.8 6.0 364 344 A 25 ALA H A 5 LYS HDx 1.0 1.8 6.0 365 345 A 25 ALA H A 5 LYS HDy 1.0 1.8 6.0 366 346 A 25 ALA H A 5 LYS HEx 1.0 1.8 6.0 367 346 A 25 ALA H A 5 LYS HEy 1.0 1.8 6.0 368 347 A 7 THR HG2% A 25 ALA H 1.0 1.8 6.0 369 348 A 25 ALA H A 22 LYS HBy 1.0 1.8 6.0 370 348 A 22 LYS HBx A 25 ALA H 1.0 1.8 6.0 371 349 A 25 ALA H A 22 LYS HGy 1.0 1.8 6.0 372 349 A 25 ALA H A 22 LYS HGx 1.0 1.8 6.0 373 350 A 24 CYS HA A 25 ALA H 1.0 1.8 4.0 374 351 A 25 ALA H A 24 CYS HBx 1.0 1.8 5.0 375 352 A 24 CYS HBy A 25 ALA H 1.0 1.8 5.0 376 353 A 25 ALA H A 25 ALA HA 1.0 1.8 3.0 377 354 A 25 ALA H A 25 ALA HB% 1.0 1.8 4.0 378 355 A 25 ALA H A 26 THR HB 1.0 1.8 6.0 379 356 A 25 ALA H A 36 ILE HB 1.0 1.8 6.0 380 357 A 25 ALA H A 36 ILE HG1x 1.0 1.8 6.0 381 357 A 25 ALA H A 36 ILE HG1y 1.0 1.8 6.0 382 358 A 25 ALA H A 36 ILE HG2% 1.0 1.8 6.0 383 359 A 25 ALA H A 36 ILE HD1% 1.0 1.8 6.0 384 360 A 25 ALA HA A 36 ILE HG1x 1.0 1.8 6.0 385 360 A 25 ALA HA A 36 ILE HG1y 1.0 1.8 6.0 386 361 A 25 ALA HA A 36 ILE HG2% 1.0 1.8 5.5 387 362 A 25 ALA HA A 36 ILE HD1% 1.0 1.8 5.0 388 363 A 25 ALA HA A 35 ARG HBx 1.0 1.8 6.0 389 363 A 25 ALA HA A 35 ARG HBy 1.0 1.8 6.0 390 364 A 21 LEU HA A 25 ALA H 1.0 1.8 5.0 391 365 A 22 LYS HA A 25 ALA H 1.0 1.8 4.0 392 366 A 23 ALA HA A 25 ALA H 1.0 1.8 5.0 393 367 A 25 ALA H A 26 THR H 1.0 1.8 3.0 394 368 A 25 ALA H A 27 SER H 1.0 1.8 5.0 395 369 A 25 ALA H A 27 SER HBy 1.0 1.8 6.0 396 369 A 25 ALA H A 27 SER HBx 1.0 1.8 6.0 397 370 A 25 ALA H A 35 ARG H 1.0 1.8 6.0 398 371 A 26 THR H A 25 ALA HA 1.0 1.8 4.0 399 372 A 25 ALA HB% A 26 THR H 1.0 1.8 5.0 400 373 A 26 THR H A 26 THR HA 1.0 1.8 3.0 401 374 A 26 THR H A 26 THR HB 1.0 1.8 4.0 402 375 A 26 THR H A 26 THR HG2% 1.0 1.8 5.0 403 376 A 22 LYS HA A 26 THR H 1.0 1.8 5.0 404 377 A 23 ALA HA A 26 THR H 1.0 1.8 4.0 405 378 A 23 ALA HB% A 26 THR H 1.0 1.8 6.0 406 379 A 24 CYS HA A 26 THR H 1.0 1.8 5.0 407 380 A 26 THR H A 27 SER HA 1.0 1.8 6.0 408 381 A 26 THR H A 27 SER HBy 1.0 1.8 6.0 409 382 A 26 THR H A 27 SER HBx 1.0 1.8 6.0 410 383 A 26 THR H A 27 SER H 1.0 1.8 5.0 411 384 A 26 THR H A 36 ILE HG2% 1.0 1.8 6.0 412 385 A 26 THR H A 36 ILE HD1% 1.0 1.8 6.0 413 386 A 27 SER H A 26 THR HA 1.0 1.8 4.0 414 387 A 26 THR HB A 27 SER H 1.0 1.8 5.0 415 388 A 27 SER H A 26 THR HG2% 1.0 1.8 5.0 416 389 A 27 SER H A 27 SER HA 1.0 1.8 3.0 417 390 A 27 SER H A 27 SER HBy 1.0 1.8 4.0 418 391 A 27 SER H A 27 SER HBx 1.0 1.8 4.0 419 392 A 23 ALA HA A 27 SER H 1.0 1.8 5.0 420 393 A 24 CYS HA A 27 SER H 1.0 1.8 4.0 421 394 A 25 ALA HA A 27 SER H 1.0 1.8 5.0 422 395 A 25 ALA HB% A 27 SER H 1.0 1.8 6.0 423 396 A 27 SER H A 28 PHE HBx 1.0 1.8 6.0 424 397 A 27 SER H A 28 PHE HBy 1.0 1.8 6.0 425 398 A 36 ILE HG2% A 27 SER H 1.0 1.8 6.0 426 399 A 36 ILE HD1% A 27 SER H 1.0 1.8 6.0 427 400 A 27 SER H A 28 PHE H 1.0 1.8 5.0 428 401 A 27 SER H A 29 THR H 1.0 1.8 6.0 429 402 A 27 SER HA A 28 PHE H 1.0 1.8 4.0 430 403 A 28 PHE H A 27 SER HBy 1.0 1.8 5.0 431 404 A 27 SER HBx A 28 PHE H 1.0 1.8 5.0 432 405 A 28 PHE H A 28 PHE HA 1.0 1.8 3.0 433 406 A 28 PHE HBx A 28 PHE H 1.0 1.8 4.0 434 407 A 28 PHE HBy A 28 PHE H 1.0 1.8 4.0 435 408 A 26 THR HA A 28 PHE H 1.0 1.8 6.0 436 409 A 25 ALA HA A 28 PHE H 1.0 1.8 5.0 437 410 A 25 ALA HB% A 28 PHE H 1.0 1.8 6.0 438 411 A 28 PHE H A 29 THR H 1.0 1.8 5.0 439 412 A 29 THR H A 35 ARG HDx 1.0 1.8 6.0 440 412 A 29 THR H A 35 ARG HDy 1.0 1.8 6.0 441 413 A 29 THR H A 30 GLY H 1.0 1.8 6.0 442 414 A 29 THR H A 31 GLY H 1.0 1.8 6.0 443 415 A 30 GLY H A 32 ASP H 1.0 1.8 6.0 444 416 A 36 ILE HB A 33 GLU HA 1.0 1.8 4.5 445 417 A 33 GLU H A 34 SER HBy 1.0 1.8 6.0 446 417 A 33 GLU H A 34 SER HBx 1.0 1.8 6.0 447 418 A 33 GLU HA A 34 SER H 1.0 1.8 4.0 448 419 A 34 SER H A 33 GLU HBy 1.0 1.8 5.0 449 420 A 34 SER H A 33 GLU HBx 1.0 1.8 5.0 450 421 A 34 SER H A 33 GLU HGy 1.0 1.8 6.0 451 422 A 34 SER H A 33 GLU HGx 1.0 1.8 6.0 452 423 A 34 SER H A 34 SER HA 1.0 1.8 3.0 453 424 A 34 SER H A 34 SER HBy 1.0 1.8 4.0 454 425 A 34 SER HBx A 34 SER H 1.0 1.8 4.0 455 426 A 33 GLU H A 34 SER H 1.0 1.8 5.0 456 427 A 35 ARG H A 34 SER H 1.0 1.8 5.0 457 428 A 34 SER H A 35 ARG HDx 1.0 1.8 6.0 458 428 A 35 ARG HDy A 34 SER H 1.0 1.8 6.0 459 429 A 34 SER H A 35 ARG HBx 1.0 1.8 6.0 460 429 A 35 ARG HBy A 34 SER H 1.0 1.8 6.0 461 430 A 34 SER H A 36 ILE H 1.0 1.8 6.0 462 431 A 34 SER H A 37 GLN HBx 1.0 1.8 6.0 463 431 A 34 SER H A 37 GLN HBy 1.0 1.8 6.0 464 432 A 34 SER H A 37 GLN HGy 1.0 1.8 6.0 465 432 A 34 SER H A 37 GLN HGx 1.0 1.8 6.0 466 433 A 35 ARG H A 34 SER HA 1.0 1.8 3.0 467 434 A 35 ARG H A 34 SER HBy 1.0 1.8 4.5 468 435 A 35 ARG H A 34 SER HBx 1.0 1.8 4.5 469 436 A 35 ARG H A 35 ARG HA 1.0 1.8 3.0 470 437 A 35 ARG H A 35 ARG HBx 1.0 1.8 4.0 471 438 A 35 ARG HBy A 35 ARG H 1.0 1.8 4.0 472 439 A 35 ARG H A 35 ARG HGx 1.0 1.8 6.0 473 440 A 35 ARG H A 35 ARG HGy 1.0 1.8 6.0 474 441 A 35 ARG H A 35 ARG HDx 1.0 1.8 6.0 475 442 A 35 ARG H A 35 ARG HDy 1.0 1.8 6.0 476 443 A 3 ILE HG2% A 35 ARG H 1.0 1.8 6.0 477 444 A 3 ILE HD1% A 35 ARG H 1.0 1.8 6.0 478 445 A 35 ARG H A 33 GLU HA 1.0 1.8 6.0 479 446 A 35 ARG H A 36 ILE HA 1.0 1.8 5.0 480 447 A 36 ILE HG2% A 35 ARG H 1.0 1.8 6.0 481 448 A 36 ILE HD1% A 35 ARG H 1.0 1.8 6.0 482 449 A 49 TYR HA A 35 ARG H 1.0 1.8 6.0 483 450 A 35 ARG H A 50 PHE HA 1.0 1.8 6.0 484 451 A 3 ILE H A 35 ARG H 1.0 1.8 5.0 485 452 A 35 ARG H A 5 LYS HGy 1.0 1.8 6.0 486 452 A 35 ARG H A 5 LYS HGx 1.0 1.8 6.0 487 453 A 35 ARG H A 36 ILE H 1.0 1.8 5.0 488 454 A 35 ARG H A 37 GLN H 1.0 1.8 5.0 489 455 A 35 ARG H A 51 THR H 1.0 1.8 6.0 490 456 A 35 ARG H A 50 PHE HBx 1.0 1.8 5.0 491 457 A 35 ARG H A 50 PHE HBy 1.0 1.8 5.0 492 458 A 35 ARG H A 52 THR HG2% 1.0 1.8 5.0 493 459 A 36 ILE HG2% A 35 ARG HE 1.0 1.8 6.0 494 460 A 52 THR HG2% A 35 ARG HE 1.0 1.8 6.0 495 461 A 51 THR H A 35 ARG HE 1.0 1.8 6.0 496 462 A 36 ILE H A 5 LYS HGy 1.0 1.8 6.0 497 462 A 36 ILE H A 5 LYS HGx 1.0 1.8 6.0 498 463 A 33 GLU HA A 36 ILE H 1.0 1.8 4.0 499 464 A 34 SER HA A 36 ILE H 1.0 1.8 5.0 500 465 A 36 ILE H A 34 SER HBy 1.0 1.8 6.0 501 465 A 34 SER HBx A 36 ILE H 1.0 1.8 6.0 502 466 A 36 ILE H A 35 ARG HA 1.0 1.8 4.0 503 467 A 36 ILE H A 35 ARG HBx 1.0 1.8 5.0 504 468 A 35 ARG HBy A 36 ILE H 1.0 1.8 5.0 505 469 A 36 ILE H A 35 ARG HGx 1.0 1.8 6.0 506 470 A 36 ILE H A 35 ARG HGy 1.0 1.8 6.0 507 471 A 36 ILE H A 35 ARG HDx 1.0 1.8 6.0 508 471 A 35 ARG HDy A 36 ILE H 1.0 1.8 6.0 509 472 A 36 ILE H A 36 ILE HA 1.0 1.8 3.0 510 473 A 36 ILE HB A 36 ILE H 1.0 1.8 5.0 511 474 A 36 ILE H A 36 ILE HG1x 1.0 1.8 5.0 512 474 A 36 ILE HG1y A 36 ILE H 1.0 1.8 5.0 513 475 A 36 ILE HG2% A 36 ILE H 1.0 1.8 6.0 514 476 A 36 ILE HD1% A 36 ILE H 1.0 1.8 6.0 515 477 A 36 ILE H A 37 GLN HA 1.0 1.8 6.0 516 478 A 36 ILE H A 37 GLN HBx 1.0 1.8 6.0 517 479 A 36 ILE H A 37 GLN HBy 1.0 1.8 6.0 518 480 A 36 ILE H A 37 GLN HGy 1.0 1.8 6.0 519 480 A 36 ILE H A 37 GLN HGx 1.0 1.8 6.0 520 481 A 34 SER HA A 37 GLN H 1.0 1.8 5.0 521 482 A 36 ILE HA A 37 GLN H 1.0 1.8 4.0 522 483 A 36 ILE HB A 37 GLN H 1.0 1.8 5.0 523 484 A 37 GLN H A 36 ILE HG1x 1.0 1.8 6.0 524 484 A 36 ILE HG1y A 37 GLN H 1.0 1.8 6.0 525 485 A 36 ILE HG2% A 37 GLN H 1.0 1.8 6.0 526 486 A 36 ILE HD1% A 37 GLN H 1.0 1.8 6.0 527 487 A 37 GLN H A 37 GLN HA 1.0 1.8 3.0 528 488 A 37 GLN H A 37 GLN HBx 1.0 1.8 4.0 529 489 A 37 GLN HBy A 37 GLN H 1.0 1.8 4.0 530 490 A 37 GLN HGx A 37 GLN H 1.0 1.8 5.0 531 491 A 37 GLN H A 37 GLN HGy 1.0 1.8 5.0 532 492 A 25 ALA HB% A 37 GLN H 1.0 1.8 6.0 533 493 A 37 GLN H A 35 ARG HBx 1.0 1.8 6.0 534 493 A 35 ARG HBy A 37 GLN H 1.0 1.8 6.0 535 494 A 34 SER H A 37 GLN H 1.0 1.8 6.0 536 495 A 36 ILE H A 37 GLN H 1.0 1.8 5.0 537 496 A 37 GLN H A 38 GLU H 1.0 1.8 4.0 538 497 A 37 GLN HA A 38 GLU H 1.0 1.8 4.0 539 498 A 38 GLU H A 37 GLN HBx 1.0 1.8 5.0 540 499 A 37 GLN HBy A 38 GLU H 1.0 1.8 5.0 541 500 A 37 GLN HGx A 38 GLU H 1.0 1.8 5.0 542 501 A 38 GLU H A 37 GLN HGy 1.0 1.8 5.0 543 502 A 38 GLU H A 38 GLU HA 1.0 1.8 3.0 544 503 A 38 GLU H A 38 GLU HBx 1.0 1.8 4.0 545 504 A 38 GLU H A 38 GLU HBy 1.0 1.8 4.0 546 505 A 38 GLU H A 38 GLU HGy 1.0 1.8 5.0 547 506 A 38 GLU H A 38 GLU HGx 1.0 1.8 5.0 548 507 A 36 ILE HA A 38 GLU H 1.0 1.8 5.0 549 508 A 36 ILE HG2% A 38 GLU H 1.0 1.8 6.0 550 509 A 36 ILE HD1% A 38 GLU H 1.0 1.8 6.0 551 510 A 38 GLU H A 48 CYS HA 1.0 1.8 6.0 552 511 A 38 GLU H A 48 CYS HBx 1.0 1.8 6.0 553 511 A 38 GLU H A 48 CYS HBy 1.0 1.8 6.0 554 512 A 49 TYR HA A 38 GLU H 1.0 1.8 6.0 555 513 A 38 GLU H A 49 TYR HBx 1.0 1.8 6.0 556 514 A 49 TYR HBy A 38 GLU H 1.0 1.8 6.0 557 515 A 50 PHE HA A 38 GLU H 1.0 1.8 5.0 558 516 A 38 GLU H A 39 GLY H 1.0 1.8 5.0 559 517 A 49 TYR H A 38 GLU H 1.0 1.8 4.0 560 518 A 38 GLU HA A 39 GLY H 1.0 1.8 3.0 561 519 A 38 GLU HBx A 39 GLY H 1.0 1.8 4.0 562 520 A 38 GLU HBy A 39 GLY H 1.0 1.8 4.0 563 521 A 39 GLY H A 38 GLU HGx 1.0 1.8 5.0 564 521 A 39 GLY H A 38 GLU HGy 1.0 1.8 5.0 565 522 A 39 GLY H A 39 GLY HAx 1.0 1.8 3.0 566 523 A 39 GLY H A 39 GLY HAy 1.0 1.8 3.0 567 524 A 21 LEU HDx% A 39 GLY H 1.0 1.8 6.0 568 525 A 21 LEU HDy% A 39 GLY H 1.0 1.8 6.0 569 526 A 36 ILE HG2% A 39 GLY H 1.0 1.8 6.0 570 527 A 36 ILE HB A 39 GLY H 1.0 1.8 6.0 571 528 A 39 GLY H A 40 LYS H 1.0 1.8 6.0 572 529 A 40 LYS H A 38 GLU HGx 1.0 1.8 6.0 573 529 A 38 GLU HGy A 40 LYS H 1.0 1.8 6.0 574 530 A 40 LYS H A 39 GLY HAx 1.0 1.8 3.0 575 531 A 40 LYS H A 39 GLY HAy 1.0 1.8 3.0 576 532 A 40 LYS H A 40 LYS HA 1.0 1.8 3.0 577 533 A 40 LYS H A 40 LYS HBx 1.0 1.8 4.0 578 534 A 40 LYS H A 40 LYS HBy 1.0 1.8 4.0 579 535 A 40 LYS H A 40 LYS HGx 1.0 1.8 5.0 580 536 A 40 LYS H A 40 LYS HGy 1.0 1.8 5.0 581 537 A 40 LYS H A 46 CYS HA 1.0 1.8 6.0 582 538 A 40 LYS H A 46 CYS HBx 1.0 1.8 6.0 583 538 A 40 LYS H A 46 CYS HBy 1.0 1.8 6.0 584 539 A 47 THR HB A 40 LYS H 1.0 1.8 6.0 585 540 A 47 THR HG2% A 40 LYS H 1.0 1.8 6.0 586 541 A 48 CYS HA A 40 LYS H 1.0 1.8 3.0 587 542 A 47 THR H A 40 LYS H 1.0 1.8 4.5 588 543 A 49 TYR H A 40 LYS H 1.0 1.8 4.5 589 544 A 49 TYR HE% A 40 LYS H 1.0 1.8 6.0 590 545 A 41 PRO HA A 20 CYS HBx 1.0 1.8 4.5 591 545 A 41 PRO HA A 20 CYS HBy 1.0 1.8 4.5 592 546 A 41 PRO HA A 42 GLY H 1.0 1.8 3.0 593 547 A 42 GLY H A 41 PRO HBy 1.0 1.8 4.0 594 548 A 41 PRO HBx A 42 GLY H 1.0 1.8 4.0 595 549 A 42 GLY H A 41 PRO HGx 1.0 1.8 5.0 596 550 A 42 GLY H A 41 PRO HGy 1.0 1.8 5.0 597 551 A 42 GLY H A 41 PRO HDy 1.0 1.8 6.0 598 552 A 42 GLY H A 41 PRO HDx 1.0 1.8 6.0 599 553 A 42 GLY H A 42 GLY HAy 1.0 1.8 3.0 600 554 A 42 GLY H A 42 GLY HAx 1.0 1.8 3.0 601 555 A 46 CYS HA A 42 GLY H 1.0 1.8 3.0 602 556 A 46 CYS H A 42 GLY H 1.0 1.8 6.0 603 557 A 42 GLY H A 43 PHE H 1.0 1.8 5.0 604 558 A 42 GLY H A 45 LYS H 1.0 1.8 4.5 605 559 A 47 THR H A 42 GLY H 1.0 1.8 4.5 606 560 A 42 GLY HAy A 43 PHE H 1.0 1.8 4.0 607 561 A 42 GLY HAx A 43 PHE H 1.0 1.8 4.0 608 562 A 43 PHE H A 43 PHE HA 1.0 1.8 3.0 609 563 A 43 PHE H A 43 PHE HBx 1.0 1.8 5.0 610 564 A 43 PHE H A 43 PHE HBy 1.0 1.8 5.0 611 565 A 43 PHE H A 44 PHE H 1.0 1.8 5.0 612 566 A 43 PHE H A 45 LYS HDx 1.0 1.8 6.0 613 566 A 43 PHE H A 45 LYS HDy 1.0 1.8 6.0 614 567 A 44 PHE H A 10 LYS HGy 1.0 1.8 6.0 615 567 A 10 LYS HGx A 44 PHE H 1.0 1.8 6.0 616 568 A 44 PHE H A 11 LYS HBy 1.0 1.8 6.0 617 568 A 44 PHE H A 11 LYS HBx 1.0 1.8 6.0 618 569 A 43 PHE HA A 44 PHE H 1.0 1.8 3.0 619 570 A 43 PHE HBx A 44 PHE H 1.0 1.8 5.0 620 571 A 43 PHE HBy A 44 PHE H 1.0 1.8 5.0 621 572 A 44 PHE HA A 44 PHE H 1.0 1.8 3.0 622 573 A 44 PHE HBx A 44 PHE H 1.0 1.8 4.0 623 574 A 44 PHE HBy A 44 PHE H 1.0 1.8 4.0 624 575 A 45 LYS H A 44 PHE H 1.0 1.8 4.5 625 576 A 9 TYR HE% A 44 PHE H 1.0 1.8 6.0 626 577 A 12 ARG H A 44 PHE H 1.0 1.8 6.0 627 578 A 45 LYS H A 11 LYS HBy 1.0 1.8 6.0 628 578 A 45 LYS H A 11 LYS HBx 1.0 1.8 6.0 629 579 A 44 PHE HA A 45 LYS H 1.0 1.8 3.5 630 580 A 44 PHE HBx A 45 LYS H 1.0 1.8 4.5 631 581 A 44 PHE HBy A 45 LYS H 1.0 1.8 4.5 632 582 A 45 LYS HA A 45 LYS H 1.0 1.8 3.0 633 583 A 45 LYS H A 45 LYS HBy 1.0 1.8 4.0 634 584 A 45 LYS H A 45 LYS HBx 1.0 1.8 4.0 635 585 A 45 LYS H A 45 LYS HGy 1.0 1.8 5.0 636 586 A 45 LYS H A 45 LYS HGx 1.0 1.8 5.0 637 587 A 45 LYS H A 45 LYS HDy 1.0 1.8 6.0 638 588 A 45 LYS H A 45 LYS HDx 1.0 1.8 6.0 639 589 A 9 TYR HBx A 45 LYS H 1.0 1.8 6.0 640 590 A 9 TYR HBy A 45 LYS H 1.0 1.8 6.0 641 591 A 42 GLY HAy A 45 LYS H 1.0 1.8 6.0 642 592 A 42 GLY HAx A 45 LYS H 1.0 1.8 6.0 643 593 A 45 LYS H A 43 PHE HA 1.0 1.8 5.0 644 594 A 9 TYR H A 45 LYS H 1.0 1.8 6.0 645 595 A 43 PHE H A 45 LYS H 1.0 1.8 6.0 646 596 A 45 LYS HA A 46 CYS H 1.0 1.8 4.0 647 597 A 46 CYS H A 45 LYS HBy 1.0 1.8 4.0 648 598 A 46 CYS H A 45 LYS HBx 1.0 1.8 4.0 649 599 A 46 CYS H A 45 LYS HGy 1.0 1.8 5.0 650 600 A 46 CYS H A 45 LYS HGx 1.0 1.8 5.0 651 601 A 46 CYS H A 45 LYS HDy 1.0 1.8 6.0 652 602 A 46 CYS H A 45 LYS HDx 1.0 1.8 6.0 653 603 A 46 CYS H A 46 CYS HA 1.0 1.8 3.0 654 604 A 46 CYS H A 46 CYS HBx 1.0 1.8 4.0 655 605 A 46 CYS H A 46 CYS HBy 1.0 1.8 4.0 656 606 A 6 ASP HA A 46 CYS H 1.0 1.8 6.0 657 607 A 7 THR HG2% A 46 CYS H 1.0 1.8 6.0 658 608 A 46 CYS H A 8 PRO HA 1.0 1.8 4.0 659 609 A 46 CYS H A 9 TYR HBx 1.0 1.8 6.0 660 610 A 46 CYS H A 9 TYR HBy 1.0 1.8 6.0 661 611 A 46 CYS H A 45 LYS H 1.0 1.8 5.0 662 612 A 47 THR H A 46 CYS H 1.0 1.8 6.0 663 613 A 47 THR H A 46 CYS HA 1.0 1.8 3.0 664 614 A 47 THR H A 46 CYS HBx 1.0 1.8 5.0 665 615 A 47 THR H A 46 CYS HBy 1.0 1.8 5.0 666 616 A 47 THR HA A 47 THR H 1.0 1.8 3.0 667 617 A 47 THR HB A 47 THR H 1.0 1.8 4.0 668 618 A 47 THR HG2% A 47 THR H 1.0 1.8 5.0 669 619 A 6 ASP HA A 47 THR H 1.0 1.8 6.0 670 620 A 7 THR HG2% A 47 THR H 1.0 1.8 6.0 671 621 A 47 THR H A 40 LYS HA 1.0 1.8 6.0 672 622 A 47 THR H A 40 LYS HBx 1.0 1.8 6.0 673 623 A 47 THR H A 40 LYS HBy 1.0 1.8 6.0 674 624 A 47 THR H A 40 LYS HGx 1.0 1.8 6.0 675 624 A 47 THR H A 40 LYS HGy 1.0 1.8 6.0 676 625 A 47 THR H A 41 PRO HA 1.0 1.8 4.0 677 626 A 47 THR H A 40 LYS H 1.0 1.8 4.5 678 627 A 47 THR H A 42 GLY H 1.0 1.8 4.5 679 628 A 47 THR HB A 40 LYS HBx 1.0 1.8 6.0 680 629 A 47 THR HB A 40 LYS HBy 1.0 1.8 6.0 681 630 A 47 THR HA A 48 CYS H 1.0 1.8 3.0 682 631 A 48 CYS H A 47 THR HB 1.0 1.8 5.0 683 632 A 47 THR HG2% A 48 CYS H 1.0 1.8 5.0 684 633 A 48 CYS H A 48 CYS HA 1.0 1.8 3.0 685 634 A 48 CYS H A 48 CYS HBx 1.0 1.8 4.0 686 635 A 48 CYS H A 48 CYS HBy 1.0 1.8 4.0 687 636 A 4 LYS HA A 48 CYS H 1.0 1.8 6.0 688 637 A 5 LYS HA A 48 CYS H 1.0 1.8 6.0 689 638 A 48 CYS H A 5 LYS HGy 1.0 1.8 6.0 690 638 A 48 CYS H A 5 LYS HGx 1.0 1.8 6.0 691 639 A 6 ASP HA A 48 CYS H 1.0 1.8 4.0 692 640 A 48 CYS H A 6 ASP HBx 1.0 1.8 6.0 693 641 A 48 CYS H A 6 ASP HBy 1.0 1.8 6.0 694 642 A 6 ASP H A 48 CYS H 1.0 1.8 6.0 695 643 A 48 CYS H A 7 THR HG2% 1.0 1.8 6.0 696 644 A 48 CYS H A 47 THR H 1.0 1.8 5.0 697 645 A 48 CYS H A 49 TYR H 1.0 1.8 5.0 698 646 A 48 CYS HA A 39 GLY HAx 1.0 1.8 5.0 699 646 A 48 CYS HA A 39 GLY HAy 1.0 1.8 5.0 700 647 A 36 ILE HG2% A 48 CYS HA 1.0 1.8 6.0 701 648 A 49 TYR H A 48 CYS HA 1.0 1.8 3.0 702 649 A 49 TYR H A 48 CYS HBx 1.0 1.8 5.0 703 650 A 49 TYR H A 48 CYS HBy 1.0 1.8 5.0 704 651 A 49 TYR HA A 49 TYR H 1.0 1.8 3.0 705 652 A 49 TYR H A 49 TYR HBx 1.0 1.8 4.0 706 653 A 49 TYR HBy A 49 TYR H 1.0 1.8 4.0 707 654 A 49 TYR H A 50 PHE HA 1.0 1.8 5.0 708 655 A 49 TYR H A 5 LYS HGy 1.0 1.8 6.0 709 655 A 49 TYR H A 5 LYS HGx 1.0 1.8 6.0 710 656 A 49 TYR H A 5 LYS HDy 1.0 1.8 6.0 711 656 A 49 TYR H A 5 LYS HDx 1.0 1.8 6.0 712 657 A 49 TYR H A 38 GLU HA 1.0 1.8 6.0 713 658 A 49 TYR H A 38 GLU HBx 1.0 1.8 6.0 714 659 A 49 TYR H A 38 GLU HBy 1.0 1.8 6.0 715 660 A 49 TYR H A 39 GLY HAx 1.0 1.8 4.0 716 661 A 49 TYR H A 39 GLY HAy 1.0 1.8 4.0 717 662 A 49 TYR H A 39 GLY H 1.0 1.8 6.0 718 663 A 49 TYR H A 40 LYS HGx 1.0 1.8 6.0 719 664 A 49 TYR H A 40 LYS HGy 1.0 1.8 6.0 720 665 A 49 TYR H A 50 PHE H 1.0 1.8 5.0 721 666 A 49 TYR H A 51 THR H 1.0 1.8 5.5 722 667 A 2 VAL HGy% A 49 TYR HA 1.0 1.8 6.0 723 668 A 3 ILE HD1% A 49 TYR HA 1.0 1.8 6.0 724 669 A 49 TYR HA A 50 PHE H 1.0 1.8 3.0 725 670 A 50 PHE H A 49 TYR HBx 1.0 1.8 5.0 726 671 A 49 TYR HBy A 50 PHE H 1.0 1.8 5.0 727 672 A 49 TYR HD% A 50 PHE H 1.0 1.8 6.0 728 673 A 49 TYR HE% A 50 PHE H 1.0 1.8 6.0 729 674 A 50 PHE H A 50 PHE HA 1.0 1.8 3.0 730 675 A 50 PHE H A 50 PHE HBx 1.0 1.8 4.0 731 676 A 50 PHE H A 50 PHE HBy 1.0 1.8 4.0 732 677 A 2 VAL HA A 50 PHE H 1.0 1.8 6.0 733 678 A 4 LYS HA A 50 PHE H 1.0 1.8 5.0 734 679 A 2 VAL HGx% A 50 PHE H 1.0 1.8 6.0 735 680 A 2 VAL HGy% A 50 PHE H 1.0 1.8 6.0 736 681 A 3 ILE HG2% A 50 PHE H 1.0 1.8 6.0 737 682 A 3 ILE HD1% A 50 PHE H 1.0 1.8 6.0 738 683 A 35 ARG H A 50 PHE HA 1.0 1.8 5.0 739 684 A 36 ILE HA A 50 PHE HA 1.0 1.8 5.0 740 685 A 36 ILE HD1% A 50 PHE HA 1.0 1.8 6.0 741 686 A 36 ILE HG2% A 50 PHE HA 1.0 1.8 6.0 742 687 A 36 ILE HD1% A 50 PHE HBx 1.0 1.8 6.0 743 688 A 36 ILE HD1% A 50 PHE HBy 1.0 1.8 6.0 744 689 A 50 PHE HA A 37 GLN HA 1.0 1.8 6.0 745 690 A 50 PHE HA A 37 GLN HBx 1.0 1.8 6.0 746 691 A 37 GLN HBy A 50 PHE HA 1.0 1.8 6.0 747 692 A 50 PHE HA A 37 GLN H 1.0 1.8 5.0 748 693 A 50 PHE HA A 52 THR HG2% 1.0 1.8 6.0 749 694 A 50 PHE HA A 51 THR H 1.0 1.8 4.0 750 695 A 51 THR H A 50 PHE HBx 1.0 1.8 5.0 751 696 A 51 THR H A 50 PHE HBy 1.0 1.8 5.0 752 697 A 51 THR H A 51 THR HA 1.0 1.8 3.0 753 698 A 51 THR H A 51 THR HB 1.0 1.8 4.0 754 699 A 51 THR H A 51 THR HG2% 1.0 1.8 5.0 755 700 A 36 ILE HA A 51 THR H 1.0 1.8 6.0 756 701 A 36 ILE HG2% A 51 THR H 1.0 1.8 5.0 757 702 A 36 ILE HD1% A 51 THR H 1.0 1.8 6.0 758 703 A 35 ARG H A 51 THR H 1.0 1.8 5.0 759 704 A 50 PHE H A 51 THR H 1.0 1.8 6.0 760 705 A 51 THR H A 52 THR H 1.0 1.8 6.0 761 706 A 2 VAL HB A 51 THR HA 1.0 1.8 6.0 762 707 A 2 VAL HGx% A 51 THR HA 1.0 1.8 6.0 763 708 A 2 VAL HGy% A 51 THR HA 1.0 1.8 6.0 764 709 A 51 THR HA A 52 THR H 1.0 1.8 4.0 765 710 A 51 THR HB A 52 THR H 1.0 1.8 5.0 766 711 A 51 THR HG2% A 52 THR H 1.0 1.8 6.0 767 712 A 52 THR H A 52 THR HA 1.0 1.8 3.0 768 713 A 52 THR H A 52 THR HB 1.0 1.8 4.0 769 714 A 52 THR HG2% A 52 THR H 1.0 1.8 5.0 770 715 A 2 VAL HA A 52 THR H 1.0 1.8 4.5 771 716 A 2 VAL HGx% A 52 THR H 1.0 1.8 5.5 772 717 A 2 VAL HGy% A 52 THR H 1.0 1.8 6.0 773 718 A 3 ILE HG2% A 52 THR H 1.0 1.8 6.0 774 719 A 3 ILE HD1% A 52 THR H 1.0 1.8 6.0 775 720 A 52 THR H A 53 GLY H 1.0 1.8 5.0 776 721 A 3 ILE H A 52 THR H 1.0 1.8 6.0 777 722 A 3 ILE HG2% A 52 THR HB 1.0 1.8 6.0 778 723 A 3 ILE HD1% A 52 THR HB 1.0 1.8 6.0 779 724 A 52 THR HA A 53 GLY H 1.0 1.8 3.0 780 725 A 52 THR HB A 53 GLY H 1.0 1.8 4.0 781 726 A 52 THR HG2% A 53 GLY H 1.0 1.8 6.0 782 727 A 53 GLY H A 53 GLY HAx 1.0 1.8 3.0 783 728 A 53 GLY H A 53 GLY HAy 1.0 1.8 3.0 784 729 A 51 THR HA A 53 GLY H 1.0 1.8 6.0 785 730 A 16 TYR H A 43 PHE HA 1.0 1.8 6.0 786 731 A 17 LYS H A 43 PHE HA 1.0 1.8 6.0 787 732 A 9 TYR HD% A 23 ALA H 1.0 1.8 6.0 788 733 A 9 TYR HE% A 23 ALA H 1.0 1.8 6.0 789 734 A 9 TYR HD% A 45 LYS H 1.0 1.8 6.0 790 735 A 9 TYR HE% A 45 LYS H 1.0 1.8 6.0 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 3 ILE C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -165.0 -105.0 PHI 2 2 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 LYS N 1.0 105.0 165.0 PSI 3 3 A 4 LYS C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -165.0 -105.0 PHI 4 4 A 5 LYS N A 5 LYS CA A 5 LYS C A 6 ASP N 1.0 105.0 165.0 PSI 5 5 A 5 LYS C A 6 ASP N A 6 ASP CA A 6 ASP C 1.0 -165.0 -105.0 PHI 6 6 A 6 ASP N A 6 ASP CA A 6 ASP C A 7 THR N 1.0 105.0 165.0 PSI 7 7 A 6 ASP C A 7 THR N A 7 THR CA A 7 THR C 1.0 -165.0 -105.0 PHI 8 8 A 7 THR N A 7 THR CA A 7 THR C A 8 PRO N 1.0 105.0 165.0 PSI 9 9 A 7 THR C A 8 PRO N A 8 PRO CA A 8 PRO C 1.0 -170.0 -100.0 PHI 10 10 A 8 PRO N A 8 PRO CA A 8 PRO C A 9 TYR N 1.0 105.0 165.0 PSI 11 11 A 17 LYS C A 18 SER N A 18 SER CA A 18 SER C 1.0 -90.0 -30.0 PHI 12 12 A 18 SER N A 18 SER CA A 18 SER C A 19 GLU N 1.0 -75.0 -15.0 PSI 13 13 A 18 SER C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -95.0 -35.0 PHI 14 14 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 CYS N 1.0 -75.0 -15.0 PSI 15 15 A 19 GLU C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -95.0 -35.0 PHI 16 16 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 LEU N 1.0 -75.0 -15.0 PSI 17 17 A 20 CYS C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -95.0 -35.0 PHI 18 18 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 LYS N 1.0 -75.0 -15.0 PSI 19 19 A 21 LEU C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -89.7 -49.7 PHI 20 20 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 ALA N 1.0 -65.0 -25.0 PSI 21 21 A 22 LYS C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -95.0 -35.0 PHI 22 22 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 CYS N 1.0 -75.0 -15.0 PSI 23 23 A 23 ALA C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 -95.0 -35.0 PHI 24 24 A 24 CYS N A 24 CYS CA A 24 CYS C A 25 ALA N 1.0 -75.0 -15.0 PSI 25 25 A 24 CYS C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -95.0 -35.0 PHI 26 26 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 THR N 1.0 -75.0 -15.0 PSI 27 27 A 25 ALA C A 26 THR N A 26 THR CA A 26 THR C 1.0 -95.0 -35.0 PHI 28 28 A 26 THR N A 26 THR CA A 26 THR C A 27 SER N 1.0 -75.0 -15.0 PSI 29 29 A 26 THR C A 27 SER N A 27 SER CA A 27 SER C 1.0 -95.0 -35.0 PHI 30 30 A 27 SER N A 27 SER CA A 27 SER C A 28 PHE N 1.0 -75.0 -15.0 PSI 31 31 A 37 GLN C A 38 GLU N A 38 GLU CA A 38 GLU C 1.0 -165.0 -105.0 PHI 32 32 A 38 GLU N A 38 GLU CA A 38 GLU C A 39 GLY N 1.0 105.0 165.0 PSI 33 33 A 38 GLU C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 -165.0 -105.0 PHI 34 34 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 LYS N 1.0 105.0 165.0 PSI 35 35 A 39 GLY C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -165.0 -105.0 PHI 36 36 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 PRO N 1.0 105.0 165.0 PSI 37 37 A 40 LYS C A 41 PRO N A 41 PRO CA A 41 PRO C 1.0 -170.0 -100.0 PHI 38 38 A 41 PRO N A 41 PRO CA A 41 PRO C A 42 GLY N 1.0 105.0 165.0 PSI 39 39 A 41 PRO C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 -165.0 -105.0 PHI 40 40 A 42 GLY N A 42 GLY CA A 42 GLY C A 43 PHE N 1.0 105.0 165.0 PSI 41 41 A 45 LYS C A 46 CYS N A 46 CYS CA A 46 CYS C 1.0 -165.0 -105.0 PHI 42 42 A 46 CYS N A 46 CYS CA A 46 CYS C A 47 THR N 1.0 105.0 165.0 PSI 43 43 A 46 CYS C A 47 THR N A 47 THR CA A 47 THR C 1.0 -165.0 -105.0 PHI 44 44 A 47 THR N A 47 THR CA A 47 THR C A 48 CYS N 1.0 105.0 165.0 PSI 45 45 A 47 THR C A 48 CYS N A 48 CYS CA A 48 CYS C 1.0 -165.0 -105.0 PHI 46 46 A 48 CYS N A 48 CYS CA A 48 CYS C A 49 TYR N 1.0 105.0 165.0 PSI 47 47 A 48 CYS C A 49 TYR N A 49 TYR CA A 49 TYR C 1.0 -165.0 -105.0 PHI 48 48 A 49 TYR N A 49 TYR CA A 49 TYR C A 50 PHE N 1.0 105.0 165.0 PSI 49 49 A 49 TYR C A 50 PHE N A 50 PHE CA A 50 PHE C 1.0 -170.0 -100.0 PHI 50 50 A 50 PHE N A 50 PHE CA A 50 PHE C A 51 THR N 1.0 100.0 170.0 PSI stop_ save_