data_nef_c16027_2k91 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 16026 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 6 CYS SG 1 11 CYS SG 1 7 CYS SG 2 7 CYS SG 1 20 CYS SG 2 19 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 GLY start . false 2 A 2 ILE middle . . 3 A 3 VAL middle . . 4 A 4 GLU middle . . 5 A 5 GLN middle . . 6 A 6 CYS middle -HG . 7 A 7 CYS middle -HG . 8 A 8 THR middle . . 9 A 9 SER middle . . 10 A 10 ILE middle . . 11 A 11 CYS middle -HG . 12 A 12 SER middle . . 13 A 13 LEU middle . . 14 A 14 TYR middle . . 15 A 15 GLN middle . . 16 A 16 LEU middle . . 17 A 17 GLU middle . . 18 A 18 ASN middle . . 19 A 19 TYR middle . . 20 A 20 CYS middle -HG . 21 A 21 ASN end . . 22 B 1 PHE start . . 23 B 2 VAL middle . . 24 B 3 ASN middle . . 25 B 4 GLN middle . . 26 B 5 HIS middle . . 27 B 6 LEU middle . . 28 B 7 CYS middle -HG . 29 B 8 GLY middle . false 30 B 9 SER middle . . 31 B 10 ASP middle . . 32 B 11 LEU middle . . 33 B 12 VAL middle . . 34 B 13 GLU middle . . 35 B 14 ALA middle . . 36 B 15 LEU middle . . 37 B 16 TYR middle . . 38 B 17 LEU middle . . 39 B 18 VAL middle . . 40 B 19 CYS middle -HG . 41 B 20 GLY middle . false 42 B 21 GLU middle . . 43 B 22 ARG middle . . 44 B 23 GLY middle . false 45 B 24 ALA middle . . 46 B 25 PHE middle . . 47 B 26 TYR middle . . 48 B 27 THR middle . . 49 B 28 LYS middle . . 50 B 29 PRO middle . false 51 B 30 THR end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_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 2 ILE HA H 1 3.82 0.01 A 2 ILE HB H 1 1.22 0.01 A 2 ILE HD1% H 1 0.59 0.01 A 2 ILE HG1y H 1 1.11 0.01 A 2 ILE HG1x H 1 0.90 0.01 A 2 ILE HG2% H 1 0.68 0.01 A 3 VAL H H 1 8.12 0.01 A 3 VAL HA H 1 3.60 0.01 A 3 VAL HB H 1 1.95 0.01 A 3 VAL HG1% H 1 0.94 0.01 A 3 VAL HG2% H 1 0.88 0.01 A 4 GLU HA H 1 4.09 0.01 A 4 GLU HB2 H 1 2.19 0.01 A 4 GLU HB3 H 1 2.19 0.01 A 4 GLU HGy H 1 2.49 0.01 A 4 GLU HGx H 1 2.38 0.01 A 5 GLN HA H 1 4.12 0.01 A 5 GLN HB2 H 1 2.12 0.01 A 5 GLN HB3 H 1 2.12 0.01 A 5 GLN HE2x H 1 6.94 0.01 A 5 GLN HE2y H 1 7.48 0.01 A 5 GLN HGy H 1 2.46 0.01 A 5 GLN HGx H 1 2.25 0.01 A 6 CYS HA H 1 5.02 0.01 A 6 CYS HBy H 1 3.37 0.01 A 6 CYS HBx H 1 2.89 0.01 A 7 CYS HA H 1 4.89 0.01 A 7 CYS HBy H 1 3.76 0.01 A 7 CYS HBx H 1 3.32 0.01 A 8 THR H H 1 8.08 0.01 A 8 THR HA H 1 4.10 0.01 A 8 THR HB H 1 4.41 0.01 A 8 THR HG2% H 1 1.25 0.01 A 9 SER HA H 1 4.70 0.01 A 9 SER HBy H 1 3.99 0.01 A 9 SER HBx H 1 3.84 0.01 A 10 ILE H H 1 7.81 0.01 A 10 ILE HA H 1 4.29 0.01 A 10 ILE HB H 1 1.58 0.01 A 10 ILE HD1% H 1 0.51 0.01 A 10 ILE HG1y H 1 1.10 0.01 A 10 ILE HG1x H 1 0.47 0.01 A 10 ILE HG2% H 1 0.68 0.01 A 11 CYS HA H 1 4.93 0.01 A 11 CYS HB2 H 1 3.19 0.01 A 11 CYS HB3 H 1 3.19 0.01 A 12 SER H H 1 8.24 0.01 A 12 SER HA H 1 4.62 0.01 A 12 SER HBy H 1 4.13 0.01 A 12 SER HBx H 1 3.99 0.01 A 13 LEU HA H 1 3.91 0.01 A 13 LEU HBy H 1 1.55 0.01 A 13 LEU HBx H 1 1.47 0.01 A 13 LEU HDx% H 1 0.85 0.01 A 13 LEU HDy% H 1 0.80 0.01 A 13 LEU HG H 1 1.55 0.01 A 14 TYR H H 1 7.63 0.01 A 14 TYR HA H 1 4.33 0.01 A 14 TYR HB2 H 1 3.00 0.01 A 14 TYR HB3 H 1 3.00 0.01 A 14 TYR HD1 H 1 7.12 0.01 A 14 TYR HD2 H 1 7.12 0.01 A 14 TYR HE1 H 1 6.85 0.01 A 14 TYR HE2 H 1 6.85 0.01 A 15 GLN H H 1 7.51 0.01 A 15 GLN HA H 1 3.99 0.01 A 15 GLN HBy H 1 2.21 0.01 A 15 GLN HBx H 1 2.05 0.01 A 15 GLN HGy H 1 2.39 0.01 A 15 GLN HGx H 1 2.32 0.01 A 16 LEU H H 1 7.89 0.01 A 16 LEU HA H 1 4.16 0.01 A 16 LEU HBy H 1 1.98 0.01 A 16 LEU HBx H 1 1.52 0.01 A 16 LEU HD1% H 1 0.81 0.01 A 16 LEU HD2% H 1 0.81 0.01 A 16 LEU HG H 1 1.79 0.01 A 17 GLU HA H 1 4.16 0.01 A 17 GLU HBx H 1 2.12 0.01 A 17 GLU HBy H 1 2.20 0.01 A 17 GLU HG2 H 1 2.31 0.01 A 17 GLU HG3 H 1 2.29 0.01 A 18 ASN H H 1 7.38 0.01 A 18 ASN HA H 1 4.47 0.01 A 18 ASN HBy H 1 2.57 0.01 A 18 ASN HBx H 1 2.51 0.01 A 18 ASN HD2x H 1 6.56 0.01 A 18 ASN HD2y H 1 7.16 0.01 A 19 TYR H H 1 7.95 0.01 A 19 TYR HA H 1 4.48 0.01 A 19 TYR HBy H 1 3.32 0.01 A 19 TYR HBx H 1 2.95 0.01 A 19 TYR HD1 H 1 7.26 0.01 A 19 TYR HD2 H 1 7.26 0.01 A 19 TYR HE1 H 1 6.76 0.01 A 19 TYR HE2 H 1 6.76 0.01 A 20 CYS H H 1 7.44 0.01 A 20 CYS HA H 1 4.88 0.01 A 20 CYS HBy H 1 3.29 0.01 A 20 CYS HBx H 1 2.87 0.01 A 21 ASN H H 1 8.04 0.01 A 21 ASN HA H 1 4.47 0.01 A 21 ASN HBy H 1 2.77 0.01 A 21 ASN HBx H 1 2.62 0.01 A 21 ASN HD21 H 1 6.62 0.01 A 21 ASN HD22 H 1 7.45 0.01 B 1 PHE HA H 1 4.00 0.01 B 1 PHE HB2 H 1 3.08 0.01 B 1 PHE HB3 H 1 3.08 0.01 B 1 PHE HD1 H 1 7.20 0.01 B 1 PHE HD2 H 1 7.20 0.01 B 1 PHE HE1 H 1 7.32 0.01 B 1 PHE HE2 H 1 7.32 0.01 B 2 VAL HA H 1 4.03 0.01 B 2 VAL HB H 1 1.96 0.01 B 2 VAL HG1% H 1 0.82 0.01 B 2 VAL HG2% H 1 0.82 0.01 B 3 ASN HA H 1 4.59 0.01 B 3 ASN HBy H 1 2.81 0.01 B 3 ASN HBx H 1 2.76 0.01 B 4 GLN HA H 1 4.47 0.01 B 4 GLN HBy H 1 2.07 0.01 B 4 GLN HBx H 1 1.98 0.01 B 4 GLN HE2x H 1 6.82 0.01 B 4 GLN HE2y H 1 7.34 0.01 B 4 GLN HG2 H 1 2.19 0.01 B 4 GLN HG3 H 1 2.19 0.01 B 5 HIS HA H 1 4.41 0.01 B 5 HIS HBy H 1 3.43 0.01 B 5 HIS HBx H 1 3.11 0.01 B 5 HIS HD2 H 1 7.00 0.01 B 6 LEU HA H 1 4.58 0.01 B 6 LEU HBy H 1 1.76 0.01 B 6 LEU HBx H 1 0.87 0.01 B 6 LEU HDx% H 1 0.87 0.01 B 6 LEU HDy% H 1 0.78 0.01 B 6 LEU HG H 1 1.61 0.01 B 7 CYS H H 1 8.74 0.01 B 7 CYS HA H 1 4.94 0.01 B 7 CYS HBy H 1 3.22 0.01 B 7 CYS HBx H 1 2.99 0.01 B 8 GLY HAy H 1 4.01 0.01 B 8 GLY HAx H 1 3.85 0.01 B 9 SER HA H 1 4.14 0.01 B 9 SER HBy H 1 4.02 0.01 B 9 SER HBx H 1 3.92 0.01 B 10 ASP H H 1 8.04 0.01 B 10 ASP HA H 1 4.45 0.01 B 10 ASP HBy H 1 2.98 0.01 B 10 ASP HBx H 1 2.68 0.01 B 11 LEU H H 1 7.05 0.01 B 11 LEU HA H 1 4.00 0.01 B 11 LEU HBy H 1 1.85 0.01 B 11 LEU HBx H 1 1.27 0.01 B 11 LEU HD1% H 1 0.78 0.01 B 11 LEU HD2% H 1 0.78 0.01 B 11 LEU HG H 1 1.39 0.01 B 12 VAL H H 1 7.05 0.01 B 12 VAL HA H 1 3.41 0.01 B 12 VAL HB H 1 2.11 0.01 B 12 VAL HGx% H 1 0.94 0.01 B 12 VAL HGy% H 1 0.89 0.01 B 13 GLU H H 1 7.98 0.01 B 13 GLU HA H 1 4.05 0.01 B 13 GLU HB2 H 1 2.10 0.01 B 13 GLU HB3 H 1 2.10 0.01 B 13 GLU HGy H 1 2.43 0.01 B 13 GLU HGx H 1 2.31 0.01 B 14 ALA H H 1 7.75 0.01 B 14 ALA HA H 1 4.11 0.01 B 14 ALA HB% H 1 1.42 0.01 B 15 LEU H H 1 8.22 0.01 B 15 LEU HA H 1 3.99 0.01 B 15 LEU HBy H 1 1.75 0.01 B 15 LEU HBx H 1 1.39 0.01 B 15 LEU HD1% H 1 0.71 0.01 B 15 LEU HD2% H 1 0.71 0.01 B 15 LEU HG H 1 1.62 0.01 B 16 TYR H H 1 8.04 0.01 B 16 TYR HA H 1 4.29 0.01 B 16 TYR HB2 H 1 3.16 0.01 B 16 TYR HB3 H 1 3.16 0.01 B 16 TYR HD1 H 1 7.14 0.01 B 16 TYR HD2 H 1 7.14 0.01 B 16 TYR HE1 H 1 6.78 0.01 B 16 TYR HE2 H 1 6.78 0.01 B 17 LEU H H 1 7.69 0.01 B 17 LEU HA H 1 4.09 0.01 B 17 LEU HBy H 1 1.93 0.01 B 17 LEU HBx H 1 1.73 0.01 B 17 LEU HD1% H 1 0.93 0.01 B 17 LEU HD2% H 1 0.93 0.01 B 17 LEU HG H 1 1.79 0.01 B 18 VAL H H 1 8.25 0.01 B 18 VAL HA H 1 3.82 0.01 B 18 VAL HB H 1 2.07 0.01 B 18 VAL HGx% H 1 1.03 0.01 B 18 VAL HGy% H 1 0.90 0.01 B 19 CYS H H 1 8.68 0.01 B 19 CYS HA H 1 4.73 0.01 B 19 CYS HBy H 1 3.16 0.01 B 19 CYS HBx H 1 2.83 0.01 B 20 GLY H H 1 7.75 0.01 B 20 GLY HAy H 1 3.94 0.01 B 20 GLY HAx H 1 3.79 0.01 B 21 GLU HA H 1 4.16 0.01 B 21 GLU HBy H 1 2.12 0.01 B 21 GLU HBx H 1 2.02 0.01 B 21 GLU HGx H 1 2.31 0.01 B 21 GLU HGy H 1 2.31 0.01 B 22 ARG H H 1 8.04 0.01 B 22 ARG HA H 1 4.26 0.01 B 22 ARG HBy H 1 2.03 0.01 B 22 ARG HBx H 1 1.92 0.01 B 22 ARG HD2 H 1 3.23 0.01 B 22 ARG HD3 H 1 3.23 0.01 B 22 ARG HG2 H 1 1.75 0.01 B 22 ARG HG3 H 1 1.75 0.01 B 23 GLY H H 1 7.76 0.01 B 23 GLY HAy H 1 3.93 0.01 B 23 GLY HAx H 1 3.80 0.01 B 24 ALA H H 1 8.01 0.01 B 24 ALA HA H 1 4.57 0.01 B 24 ALA HB% H 1 1.29 0.01 B 25 PHE H H 1 8.24 0.01 B 25 PHE HA H 1 4.62 0.01 B 25 PHE HB2 H 1 3.08 0.01 B 25 PHE HB3 H 1 3.08 0.01 B 25 PHE HD1 H 1 7.16 0.01 B 25 PHE HD2 H 1 7.16 0.01 B 25 PHE HE1 H 1 7.31 0.01 B 25 PHE HE2 H 1 7.31 0.01 B 26 TYR HA H 1 4.51 0.01 B 26 TYR HB2 H 1 2.91 0.01 B 26 TYR HB3 H 1 2.91 0.01 B 26 TYR HD1 H 1 6.97 0.01 B 26 TYR HD2 H 1 6.97 0.01 B 26 TYR HE1 H 1 6.72 0.01 B 26 TYR HE2 H 1 6.72 0.01 B 27 THR HA H 1 4.28 0.01 B 27 THR HB H 1 4.11 0.01 B 27 THR HG2% H 1 1.14 0.01 B 28 LYS HA H 1 4.42 0.01 B 28 LYS HBy H 1 1.80 0.01 B 28 LYS HBx H 1 1.70 0.01 B 28 LYS HD2 H 1 1.70 0.01 B 28 LYS HD3 H 1 1.70 0.01 B 28 LYS HE2 H 1 2.97 0.01 B 28 LYS HE3 H 1 2.97 0.01 B 28 LYS HG2 H 1 1.44 0.01 B 28 LYS HG3 H 1 1.44 0.01 B 29 PRO HA H 1 4.49 0.01 B 29 PRO HBy H 1 2.28 0.01 B 29 PRO HBx H 1 2.07 0.01 B 29 PRO HDy H 1 3.83 0.01 B 29 PRO HDx H 1 3.67 0.01 B 29 PRO HG2 H 1 1.99 0.01 B 29 PRO HG3 H 1 1.99 0.01 B 30 THR H H 1 7.74 0.01 B 30 THR HA H 1 4.12 0.01 B 30 THR HB H 1 4.21 0.01 B 30 THR HG2% H 1 1.19 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 2 ILE H A 1 GLY HAx 1.0 1.8 3.7 2 1 A 2 ILE H A 1 GLY HAy 1.0 1.8 3.7 3 2 A 3 VAL HA A 2 ILE HG2% 1.0 1.8 6.0 4 3 A 3 VAL HA A 7 CYS HBy 1.0 1.8 6.0 5 4 A 3 VAL HA B 11 LEU HD2% 1.0 1.8 6.0 6 5 A 3 VAL HA A 4 GLU H 1.0 1.8 3.4 7 6 A 4 GLU H A 3 VAL HG1% 1.0 1.8 5.0 8 7 A 4 GLU H A 3 VAL HG2% 1.0 1.8 4.4 9 8 A 5 GLN HA A 7 CYS HBx 1.0 1.8 6.0 10 9 A 7 CYS HBy A 5 GLN HA 1.0 1.8 6.0 11 10 A 5 GLN HA A 8 THR HB 1.0 1.8 5.0 12 11 A 5 GLN HA A 8 THR HG2% 1.0 1.8 3.7 13 12 A 3 VAL HG2% A 5 GLN HGy 1.0 2.7 7.0 14 12 A 3 VAL HG2% A 5 GLN HGx 1.0 2.7 7.0 15 13 A 6 CYS HA A 10 ILE HA 1.0 1.8 5.0 16 14 A 6 CYS HA A 11 CYS HB2 1.0 1.8 4.4 17 14 A 6 CYS HA A 11 CYS HB3 1.0 1.8 4.4 18 15 A 6 CYS HA B 6 LEU HDx% 1.0 1.8 6.0 19 16 A 6 CYS HA B 6 LEU HDy% 1.0 1.8 6.0 20 17 B 6 LEU HDx% A 6 CYS HBx 1.0 2.0 4.7 21 18 B 6 LEU HDy% A 6 CYS HBx 1.0 2.0 4.7 22 19 B 6 LEU HDx% A 6 CYS HBy 1.0 2.0 4.7 23 20 B 6 LEU HDy% A 6 CYS HBy 1.0 2.0 4.7 24 21 A 3 VAL HG1% A 7 CYS HA 1.0 1.8 6.0 25 22 A 3 VAL HG2% A 7 CYS HA 1.0 1.8 6.0 26 23 A 7 CYS HA B 5 HIS HA 1.0 1.8 5.0 27 24 A 7 CYS HA B 5 HIS HBx 1.0 1.8 6.0 28 25 A 7 CYS HA B 5 HIS HBy 1.0 1.8 6.0 29 26 B 6 LEU HDx% A 7 CYS HA 1.0 1.8 5.3 30 27 B 6 LEU HDy% A 7 CYS HA 1.0 1.8 4.4 31 28 A 7 CYS HA B 11 LEU HD1% 1.0 1.8 6.0 32 29 B 11 LEU HD2% A 7 CYS HA 1.0 1.8 6.0 33 30 A 3 VAL HG1% A 7 CYS HBx 1.0 2.0 6.3 34 31 A 3 VAL HG2% A 7 CYS HBx 1.0 2.0 5.4 35 32 A 7 CYS HBy A 3 VAL HG1% 1.0 2.0 5.4 36 33 A 7 CYS HBy A 3 VAL HG2% 1.0 2.0 5.4 37 34 A 7 CYS HBx B 6 LEU HDx% 1.0 2.3 7.8 38 35 A 7 CYS HBx B 6 LEU HDy% 1.0 2.0 7.0 39 36 A 7 CYS HBy B 6 LEU HDx% 1.0 2.0 7.0 40 37 A 7 CYS HBy B 6 LEU HDy% 1.0 2.0 7.0 41 38 A 7 CYS H A 8 THR H 1.0 1.8 2.7 42 39 A 7 CYS HBx A 8 THR H 1.0 1.8 6.0 43 40 A 7 CYS HBy A 8 THR H 1.0 1.8 6.0 44 41 A 8 THR H A 9 SER H 1.0 1.8 2.7 45 42 A 9 SER HBx A 10 ILE HG1y 1.0 2.0 5.0 46 42 A 9 SER HBx A 10 ILE HG1x 1.0 2.0 5.0 47 43 A 9 SER HBy A 10 ILE HG1y 1.0 2.0 4.7 48 43 A 10 ILE HG1x A 9 SER HBy 1.0 2.0 4.7 49 44 A 9 SER H A 8 THR HA 1.0 1.8 3.7 50 45 A 9 SER HBx A 10 ILE H 1.0 1.8 3.7 51 46 A 9 SER HBy A 10 ILE H 1.0 1.8 3.7 52 47 A 10 ILE HA A 11 CYS H 1.0 1.8 2.7 53 48 A 12 SER HA A 13 LEU HBy 1.0 1.8 6.0 54 48 A 12 SER HA A 13 LEU HBx 1.0 1.8 6.0 55 49 A 12 SER H A 15 GLN HBx 1.0 1.8 4.4 56 50 A 12 SER H A 15 GLN HBy 1.0 1.8 4.4 57 51 A 12 SER H A 15 GLN H 1.0 1.8 5.0 58 52 A 13 LEU HA A 16 LEU HBy 1.0 1.8 4.4 59 52 A 13 LEU HA A 16 LEU HBx 1.0 1.8 4.4 60 53 A 13 LEU HA A 16 LEU HD1% 1.0 1.8 5.3 61 54 A 13 LEU HA A 16 LEU HD2% 1.0 1.8 3.7 62 55 A 13 LEU HA A 16 LEU HG 1.0 1.8 5.0 63 56 B 18 VAL HGx% A 13 LEU HBy 1.0 2.0 5.4 64 56 A 13 LEU HBx B 18 VAL HGx% 1.0 2.0 5.4 65 57 B 18 VAL HGy% A 13 LEU HBy 1.0 2.0 7.0 66 57 A 13 LEU HBx B 18 VAL HGy% 1.0 2.0 7.0 67 58 A 12 SER HA A 13 LEU H 1.0 1.8 2.7 68 59 A 13 LEU H A 12 SER HBx 1.0 1.8 4.3 69 60 A 13 LEU H A 12 SER HBy 1.0 1.8 4.3 70 61 A 12 SER H A 13 LEU H 1.0 1.8 5.0 71 62 A 13 LEU H A 14 TYR H 1.0 1.8 2.7 72 63 A 14 TYR HA A 13 LEU HDx% 1.0 1.8 6.0 73 64 A 14 TYR HA A 13 LEU HDy% 1.0 1.8 6.0 74 65 A 15 GLN HBx A 14 TYR HA 1.0 1.8 5.5 75 66 A 14 TYR HA A 16 LEU HBy 1.0 1.8 6.0 76 66 A 16 LEU HBx A 14 TYR HA 1.0 1.8 6.0 77 67 A 14 TYR HA A 17 GLU HG2 1.0 1.8 6.0 78 67 A 14 TYR HA A 17 GLU HG3 1.0 1.8 6.0 79 68 B 18 VAL HGx% A 14 TYR HA 1.0 1.8 6.0 80 69 B 18 VAL HGy% A 14 TYR HA 1.0 1.8 6.0 81 70 A 14 TYR HD% A 15 GLN HA 1.0 2.0 5.4 82 71 A 12 SER HA A 14 TYR HE% 1.0 2.0 4.7 83 72 A 13 LEU HDx% A 14 TYR HE% 1.0 3.0 8.0 84 73 A 13 LEU HDy% A 14 TYR HE% 1.0 3.0 8.0 85 74 A 15 GLN HA A 14 TYR HE% 1.0 2.0 7.0 86 75 A 15 GLN HBx A 14 TYR HE% 1.0 3.0 8.0 87 76 A 15 GLN HBy A 14 TYR HE% 1.0 3.0 8.0 88 77 A 13 LEU HA A 14 TYR H 1.0 1.8 3.4 89 78 A 14 TYR H A 13 LEU HBy 1.0 1.8 4.4 90 78 A 13 LEU HBx A 14 TYR H 1.0 1.8 4.4 91 79 A 14 TYR H A 13 LEU HG 1.0 1.8 4.3 92 80 A 15 GLN HBx A 14 TYR H 1.0 1.8 5.0 93 81 A 14 TYR H A 15 GLN HGy 1.0 1.8 5.3 94 81 A 14 TYR H A 15 GLN HGx 1.0 1.8 5.3 95 82 A 12 SER HBy A 15 GLN HA 1.0 1.8 5.5 96 83 A 15 GLN HA A 14 TYR HB2 1.0 1.8 5.0 97 84 A 15 GLN HA A 18 ASN HBy 1.0 1.8 6.0 98 84 A 15 GLN HA A 18 ASN HBx 1.0 1.8 6.0 99 85 A 15 GLN H A 14 TYR HA 1.0 1.8 3.4 100 86 A 15 GLN H A 14 TYR HB3 1.0 1.8 4.4 101 87 A 15 GLN H A 14 TYR HB2 1.0 1.8 4.4 102 88 A 15 GLN H A 16 LEU H 1.0 1.8 2.7 103 89 A 15 GLN H A 18 ASN H 1.0 1.8 5.5 104 90 A 16 LEU HA A 2 ILE HD1% 1.0 1.8 6.0 105 91 A 16 LEU HA A 19 TYR HBx 1.0 1.8 6.0 106 92 A 16 LEU HA A 19 TYR HBy 1.0 1.8 6.0 107 93 B 18 VAL HGx% A 16 LEU HBy 1.0 2.0 7.0 108 93 A 16 LEU HBx B 18 VAL HGx% 1.0 2.0 7.0 109 94 B 18 VAL HGy% A 16 LEU HBy 1.0 2.0 7.0 110 94 A 16 LEU HBx B 18 VAL HGy% 1.0 2.0 7.0 111 95 A 15 GLN HA A 16 LEU H 1.0 1.8 3.4 112 96 A 15 GLN HBx A 16 LEU H 1.0 1.8 6.0 113 97 A 15 GLN HBy A 16 LEU H 1.0 1.8 6.0 114 98 A 16 LEU H A 15 GLN HGy 1.0 1.8 6.0 115 98 A 15 GLN HGx A 16 LEU H 1.0 1.8 6.0 116 99 B 18 VAL HGx% A 17 GLU HBx 1.0 2.0 7.0 117 99 B 18 VAL HGx% A 17 GLU HBy 1.0 2.0 7.0 118 100 B 18 VAL HGy% A 17 GLU HBx 1.0 2.0 7.0 119 100 B 18 VAL HGy% A 17 GLU HBy 1.0 2.0 7.0 120 101 A 18 ASN H A 17 GLU H 1.0 1.8 2.7 121 102 A 16 LEU HD1% A 18 ASN HBy 1.0 2.0 7.0 122 102 A 16 LEU HD1% A 18 ASN HBx 1.0 2.0 7.0 123 103 A 15 GLN HA A 18 ASN H 1.0 1.8 4.3 124 104 A 18 ASN H A 16 LEU HA 1.0 1.8 3.4 125 105 A 18 ASN H A 17 GLU HBx 1.0 1.8 3.7 126 105 A 18 ASN H A 17 GLU HBy 1.0 1.8 3.7 127 106 A 18 ASN H A 17 GLU HG2 1.0 1.8 3.7 128 106 A 17 GLU HG3 A 18 ASN H 1.0 1.8 3.7 129 107 A 18 ASN H A 19 TYR H 1.0 1.8 2.7 130 108 A 19 TYR HA B 15 LEU HD1% 1.0 1.8 6.0 131 109 A 2 ILE HD1% A 19 TYR HBx 1.0 2.0 7.0 132 110 A 19 TYR HBx A 2 ILE HG1y 1.0 2.0 4.7 133 110 A 19 TYR HBx A 2 ILE HG1x 1.0 2.0 4.7 134 111 A 19 TYR HBx B 15 LEU HD1% 1.0 2.0 5.4 135 112 A 19 TYR HBx B 15 LEU HD2% 1.0 2.0 5.4 136 113 A 2 ILE HD1% A 19 TYR HBy 1.0 2.0 7.0 137 114 A 19 TYR HBy A 2 ILE HG1y 1.0 2.0 4.7 138 114 A 19 TYR HBy A 2 ILE HG1x 1.0 2.0 4.7 139 115 A 19 TYR HBy B 15 LEU HD1% 1.0 2.0 5.4 140 116 A 19 TYR HBy B 15 LEU HD2% 1.0 2.0 5.4 141 117 A 2 ILE HD1% A 19 TYR HD% 1.0 3.0 8.0 142 118 A 2 ILE HG2% A 19 TYR HD% 1.0 3.0 8.0 143 119 A 16 LEU HA A 19 TYR HD% 1.0 2.0 4.7 144 120 A 19 TYR HD% A 16 LEU HBy 1.0 3.0 8.0 145 120 A 16 LEU HBx A 19 TYR HD% 1.0 3.0 8.0 146 121 A 16 LEU HD1% A 19 TYR HD% 1.0 3.0 6.4 147 122 A 16 LEU HD2% A 19 TYR HD% 1.0 3.0 6.4 148 123 B 15 LEU HD1% A 19 TYR HD% 1.0 3.0 5.7 149 124 B 15 LEU HD2% A 19 TYR HD% 1.0 3.0 5.7 150 125 A 19 TYR HE% A 2 ILE HA 1.0 2.0 7.0 151 126 A 19 TYR HE% A 2 ILE HB 1.0 2.0 7.0 152 127 A 2 ILE HD1% A 19 TYR HE% 1.0 3.0 6.4 153 128 A 19 TYR HE% A 2 ILE HG1y 1.0 3.0 6.4 154 128 A 2 ILE HG1x A 19 TYR HE% 1.0 3.0 6.4 155 129 A 2 ILE HG2% A 19 TYR HE% 1.0 3.0 6.4 156 130 A 15 GLN HA A 19 TYR HE% 1.0 2.0 6.3 157 131 A 15 GLN HBx A 19 TYR HE% 1.0 3.0 8.0 158 132 A 15 GLN HBy A 19 TYR HE% 1.0 3.0 8.0 159 133 A 16 LEU HA A 19 TYR HE% 1.0 2.0 5.4 160 134 A 16 LEU HD1% A 19 TYR HE% 1.0 3.0 6.4 161 135 A 16 LEU HD2% A 19 TYR HE% 1.0 3.0 6.4 162 136 A 19 TYR HE% A 18 ASN HBy 1.0 3.0 8.0 163 136 A 18 ASN HBx A 19 TYR HE% 1.0 3.0 8.0 164 137 B 15 LEU HD1% A 19 TYR HE% 1.0 3.0 5.7 165 138 B 15 LEU HD2% A 19 TYR HE% 1.0 3.0 7.3 166 139 A 16 LEU HA A 19 TYR H 1.0 1.8 3.7 167 140 A 19 TYR H A 18 ASN HA 1.0 1.8 3.4 168 141 A 19 TYR H A 18 ASN HBy 1.0 1.8 4.4 169 141 A 18 ASN HBx A 19 TYR H 1.0 1.8 4.4 170 142 A 19 TYR H A 20 CYS H 1.0 1.8 3.4 171 143 B 15 LEU HD1% A 20 CYS HA 1.0 1.8 6.5 172 144 B 15 LEU HD2% A 20 CYS HA 1.0 1.8 6.5 173 145 A 20 CYS HA B 24 ALA HA 1.0 1.8 3.7 174 146 A 19 TYR HA A 20 CYS H 1.0 1.8 3.4 175 147 A 20 CYS H A 21 ASN H 1.0 1.8 4.5 176 148 A 20 CYS HA A 21 ASN H 1.0 1.8 3.4 177 149 A 21 ASN H A 20 CYS HBx 1.0 1.8 4.4 178 150 A 21 ASN H A 20 CYS HBy 1.0 1.8 4.4 179 151 A 13 LEU HDx% B 1 PHE HA 1.0 1.8 5.3 180 152 B 1 PHE HA B 2 VAL HG1% 1.0 1.8 6.0 181 153 B 1 PHE HA B 2 VAL HG2% 1.0 1.8 6.0 182 154 B 1 PHE HD% A 13 LEU HBy 1.0 3.0 8.0 183 154 A 13 LEU HBx B 1 PHE HD% 1.0 3.0 8.0 184 155 A 13 LEU HDx% B 1 PHE HD% 1.0 3.0 8.0 185 156 A 13 LEU HDy% B 1 PHE HD% 1.0 3.0 8.0 186 157 B 6 LEU HDx% B 1 PHE HD% 1.0 3.0 8.0 187 158 B 6 LEU HDy% B 1 PHE HD% 1.0 3.0 8.0 188 159 A 13 LEU HDx% B 1 PHE HE% 1.0 3.0 8.0 189 160 A 13 LEU HDy% B 1 PHE HE% 1.0 3.0 8.0 190 161 A 13 LEU HG B 1 PHE HE% 1.0 2.0 5.4 191 162 B 1 PHE HE% B 3 ASN HA 1.0 2.0 7.0 192 163 B 6 LEU HDx% B 1 PHE HE% 1.0 3.0 6.4 193 164 B 6 LEU HDy% B 1 PHE HE% 1.0 3.0 6.4 194 165 B 18 VAL HGx% B 1 PHE HD% 1.0 3.0 8.0 195 166 B 18 VAL HGy% B 1 PHE HD% 1.0 3.0 8.0 196 167 B 18 VAL HGx% B 1 PHE HE% 1.0 3.0 8.0 197 168 B 18 VAL HGy% B 1 PHE HE% 1.0 3.0 8.0 198 169 B 1 PHE HA B 2 VAL H 1.0 1.8 2.7 199 170 B 2 VAL H B 1 PHE HB2 1.0 1.8 4.4 200 170 B 2 VAL H B 1 PHE HB3 1.0 1.8 4.4 201 171 B 3 ASN HA A 10 ILE HD1% 1.0 1.8 6.0 202 172 B 3 ASN HA A 10 ILE HG2% 1.0 1.8 6.0 203 173 A 10 ILE HG1y B 3 ASN HBy 1.0 2.0 5.4 204 173 B 3 ASN HBx A 10 ILE HG1y 1.0 2.0 5.4 205 173 A 10 ILE HG1x B 3 ASN HBx 1.0 2.0 5.4 206 173 A 10 ILE HG1x B 3 ASN HBy 1.0 2.0 5.4 207 174 A 10 ILE HG2% B 3 ASN HBy 1.0 2.0 4.7 208 174 A 10 ILE HG2% B 3 ASN HBx 1.0 2.0 4.7 209 175 B 3 ASN H B 2 VAL HA 1.0 1.8 2.7 210 176 B 3 ASN H B 2 VAL HB 1.0 1.8 3.4 211 177 B 2 VAL HG1% B 3 ASN H 1.0 1.8 4.4 212 178 B 2 VAL HG2% B 3 ASN H 1.0 1.8 4.4 213 179 A 10 ILE HD1% B 4 GLN HA 1.0 1.8 4.4 214 180 A 10 ILE HG2% B 4 GLN HA 1.0 1.8 4.4 215 181 B 6 LEU HDx% B 4 GLN HBx 1.0 2.0 7.0 216 182 B 6 LEU HDx% B 4 GLN HBy 1.0 2.0 7.0 217 183 A 10 ILE HA B 4 GLN H 1.0 1.8 5.0 218 184 A 10 ILE HD1% B 4 GLN H 1.0 1.8 6.0 219 185 A 10 ILE HG2% B 4 GLN H 1.0 1.8 3.7 220 186 B 3 ASN HA B 4 GLN H 1.0 1.8 2.7 221 187 B 4 GLN H B 3 ASN HBy 1.0 1.8 4.4 222 187 B 3 ASN HBx B 4 GLN H 1.0 1.8 4.4 223 188 B 4 GLN H B 5 HIS H 1.0 1.8 4.3 224 189 B 5 HIS HA A 10 ILE HD1% 1.0 1.8 6.0 225 190 B 5 HIS HA A 10 ILE HG2% 1.0 1.8 6.0 226 191 B 6 LEU HDx% B 5 HIS HA 1.0 1.8 6.0 227 192 B 6 LEU HDy% B 5 HIS HA 1.0 1.8 6.0 228 193 A 10 ILE HD1% B 5 HIS HD2 1.0 1.8 4.4 229 194 B 5 HIS HE1 A 9 SER HA 1.0 1.8 2.7 230 195 A 10 ILE HD1% B 5 HIS H 1.0 1.8 3.7 231 196 A 10 ILE HG2% B 5 HIS H 1.0 1.8 6.0 232 197 B 4 GLN HA B 5 HIS H 1.0 1.8 2.7 233 198 B 4 GLN HBx B 5 HIS H 1.0 1.8 3.7 234 199 B 4 GLN HBy B 5 HIS H 1.0 1.8 3.7 235 200 B 6 LEU HA B 10 ASP HBx 1.0 1.8 4.4 236 201 B 6 LEU HA B 10 ASP HBy 1.0 1.8 4.4 237 202 B 5 HIS HA B 6 LEU H 1.0 1.8 3.4 238 203 B 5 HIS HBx B 6 LEU H 1.0 1.8 6.0 239 204 B 5 HIS HBy B 6 LEU H 1.0 1.8 6.0 240 205 A 7 CYS HBx B 7 CYS HA 1.0 1.8 6.0 241 206 A 7 CYS HBy B 7 CYS HA 1.0 1.8 6.0 242 207 B 6 LEU HDx% B 7 CYS HA 1.0 1.8 6.0 243 208 B 6 LEU HDy% B 7 CYS HA 1.0 1.8 6.0 244 209 B 7 CYS HA B 11 LEU HBx 1.0 1.8 6.0 245 210 B 7 CYS HA B 11 LEU HBy 1.0 1.8 6.0 246 211 B 11 LEU HD1% B 7 CYS HA 1.0 1.8 3.7 247 212 B 11 LEU HD2% B 7 CYS HA 1.0 1.8 4.4 248 213 B 6 LEU HA B 7 CYS H 1.0 1.8 3.4 249 214 B 7 CYS H B 6 LEU HBx 1.0 1.8 4.4 250 215 B 7 CYS H B 6 LEU HBy 1.0 1.8 4.4 251 216 B 6 LEU HDx% B 7 CYS H 1.0 1.8 6.0 252 217 B 6 LEU HDy% B 7 CYS H 1.0 1.8 6.0 253 218 B 7 CYS H B 6 LEU HG 1.0 1.8 5.0 254 219 B 10 ASP HBx B 7 CYS H 1.0 1.8 4.4 255 220 B 10 ASP HBy B 7 CYS H 1.0 1.8 4.4 256 221 B 7 CYS H B 11 LEU HA 1.0 1.8 5.5 257 222 B 8 GLY H B 7 CYS HBx 1.0 1.8 6.0 258 223 B 8 GLY H B 7 CYS HBy 1.0 1.8 6.0 259 224 B 9 SER H B 8 GLY HAy 1.0 1.8 3.7 260 224 B 9 SER H B 8 GLY HAx 1.0 1.8 3.7 261 225 B 9 SER H B 10 ASP H 1.0 1.8 2.7 262 226 B 10 ASP HA B 13 GLU HB2 1.0 1.8 6.0 263 226 B 10 ASP HA B 13 GLU HB3 1.0 1.8 6.0 264 227 B 10 ASP H B 8 GLY HAy 1.0 1.8 4.4 265 227 B 8 GLY HAx B 10 ASP H 1.0 1.8 4.4 266 228 B 10 ASP H B 9 SER HA 1.0 1.8 3.4 267 229 B 10 ASP H B 9 SER HBy 1.0 1.8 4.4 268 229 B 10 ASP H B 9 SER HBx 1.0 1.8 4.4 269 230 B 10 ASP H B 11 LEU H 1.0 1.8 2.7 270 231 B 6 LEU HG B 11 LEU HA 1.0 1.8 5.0 271 232 B 11 LEU HA B 14 ALA HB% 1.0 1.8 3.7 272 233 B 15 LEU HD1% B 11 LEU HBx 1.0 2.0 4.7 273 234 B 15 LEU HD1% B 11 LEU HBy 1.0 1.8 5.3 274 235 B 10 ASP HA B 11 LEU H 1.0 1.8 3.4 275 236 B 10 ASP HBx B 11 LEU H 1.0 1.8 6.0 276 237 B 10 ASP HBy B 11 LEU H 1.0 1.8 6.0 277 238 B 11 LEU H B 12 VAL H 1.0 1.8 3.4 278 239 B 11 LEU H B 13 GLU HB2 1.0 1.8 6.0 279 239 B 13 GLU HB3 B 11 LEU H 1.0 1.8 6.0 280 240 B 12 VAL HA B 15 LEU HBy 1.0 1.8 4.4 281 240 B 12 VAL HA B 15 LEU HBx 1.0 1.8 4.4 282 241 B 15 LEU HD1% B 12 VAL HA 1.0 1.8 4.4 283 242 B 15 LEU HD2% B 12 VAL HA 1.0 1.8 6.0 284 243 B 12 VAL HA B 15 LEU HG 1.0 1.8 5.0 285 244 B 9 SER HA B 12 VAL H 1.0 1.8 3.4 286 245 B 10 ASP HA B 12 VAL H 1.0 1.8 4.3 287 246 B 11 LEU HA B 12 VAL H 1.0 1.8 3.4 288 247 B 12 VAL H B 13 GLU H 1.0 1.8 2.7 289 248 B 13 GLU HA B 16 TYR HB2 1.0 1.8 3.7 290 248 B 13 GLU HA B 16 TYR HB3 1.0 1.8 3.7 291 249 B 10 ASP HA B 13 GLU H 1.0 1.8 2.9 292 250 B 12 VAL HA B 13 GLU H 1.0 1.8 4.3 293 251 B 13 GLU H B 12 VAL HB 1.0 1.8 3.4 294 252 B 14 ALA HB% B 13 GLU H 1.0 1.8 5.3 295 253 B 18 VAL HGx% B 14 ALA HA 1.0 1.8 4.4 296 254 B 12 VAL HB B 14 ALA H 1.0 1.8 5.0 297 255 B 13 GLU HA B 14 ALA H 1.0 1.8 3.4 298 256 B 14 ALA H B 13 GLU HB2 1.0 1.8 4.4 299 256 B 13 GLU HB3 B 14 ALA H 1.0 1.8 4.4 300 257 B 14 ALA H B 13 GLU HGy 1.0 1.8 3.7 301 257 B 14 ALA H B 13 GLU HGx 1.0 1.8 3.7 302 258 B 14 ALA H B 15 LEU HA 1.0 1.8 5.5 303 259 B 14 ALA H B 15 LEU H 1.0 1.8 2.7 304 260 B 14 ALA H B 16 TYR HB2 1.0 1.8 5.3 305 260 B 16 TYR HB3 B 14 ALA H 1.0 1.8 5.3 306 261 B 15 LEU HA B 18 VAL HB 1.0 1.8 4.3 307 262 B 18 VAL HGx% B 15 LEU HA 1.0 1.8 3.7 308 263 B 18 VAL HGy% B 15 LEU HA 1.0 1.8 3.7 309 264 B 12 VAL HGx% B 15 LEU HBy 1.0 2.0 4.7 310 264 B 15 LEU HBx B 12 VAL HGx% 1.0 2.0 4.7 311 265 B 18 VAL HGx% B 15 LEU HBy 1.0 2.0 6.3 312 265 B 18 VAL HGx% B 15 LEU HBx 1.0 2.0 6.3 313 266 B 18 VAL HGy% B 15 LEU HBy 1.0 2.0 5.4 314 266 B 18 VAL HGy% B 15 LEU HBx 1.0 2.0 5.4 315 267 B 12 VAL HB B 15 LEU HBy 1.0 1.8 6.0 316 267 B 15 LEU HBx B 12 VAL HB 1.0 1.8 6.0 317 268 B 18 VAL HGx% B 15 LEU HG 1.0 1.8 6.0 318 269 B 18 VAL HGy% B 15 LEU HG 1.0 1.8 6.0 319 270 B 12 VAL HA B 15 LEU H 1.0 1.8 3.4 320 271 B 14 ALA HA B 15 LEU H 1.0 1.8 3.4 321 272 B 14 ALA HB% B 15 LEU H 1.0 1.8 3.7 322 273 B 15 LEU H B 16 TYR H 1.0 1.8 3.4 323 274 B 12 VAL HGx% B 16 TYR HA 1.0 1.8 6.0 324 275 B 17 LEU HBx B 16 TYR HB2 1.0 2.0 7.0 325 275 B 16 TYR HB3 B 17 LEU HBx 1.0 2.0 7.0 326 276 B 17 LEU HBy B 16 TYR HB2 1.0 2.0 7.0 327 276 B 16 TYR HB3 B 17 LEU HBy 1.0 2.0 7.0 328 277 B 17 LEU HD1% B 16 TYR HB2 1.0 2.0 6.3 329 277 B 16 TYR HB3 B 17 LEU HD1% 1.0 2.0 6.3 330 278 B 17 LEU HD2% B 16 TYR HB2 1.0 2.0 6.3 331 278 B 16 TYR HB3 B 17 LEU HD2% 1.0 2.0 6.3 332 279 B 16 TYR HD% B 12 VAL HGy% 1.0 3.0 6.4 333 280 B 13 GLU HA B 16 TYR HD% 1.0 2.0 5.4 334 281 B 16 TYR HD% B 17 LEU HA 1.0 2.0 5.4 335 282 B 17 LEU HBx B 16 TYR HD% 1.0 3.0 6.4 336 283 B 17 LEU HBy B 16 TYR HD% 1.0 3.0 6.4 337 284 B 17 LEU HD1% B 16 TYR HD% 1.0 3.0 5.7 338 285 B 17 LEU HD2% B 16 TYR HD% 1.0 3.0 5.7 339 286 B 16 TYR HD% B 17 LEU HG 1.0 2.0 7.0 340 287 B 17 LEU HD1% B 16 TYR HE% 1.0 3.0 7.3 341 288 B 17 LEU HD2% B 16 TYR HE% 1.0 3.0 5.7 342 289 B 13 GLU HA B 16 TYR H 1.0 1.8 4.3 343 290 B 15 LEU HA B 16 TYR H 1.0 1.8 3.4 344 291 B 16 TYR H B 15 LEU HBy 1.0 1.8 3.7 345 291 B 15 LEU HBx B 16 TYR H 1.0 1.8 3.7 346 292 B 16 TYR H B 17 LEU H 1.0 1.8 3.4 347 293 B 16 TYR HD% B 20 GLY HAy 1.0 1.8 6.0 348 293 B 16 TYR HD% B 20 GLY HAx 1.0 1.8 6.0 349 294 B 14 ALA HB% B 17 LEU H 1.0 1.8 6.0 350 295 B 16 TYR HA B 17 LEU H 1.0 1.8 4.3 351 296 B 17 LEU H B 16 TYR HB2 1.0 1.8 3.7 352 296 B 16 TYR HB3 B 17 LEU H 1.0 1.8 3.7 353 297 B 17 LEU H B 18 VAL H 1.0 1.8 2.7 354 298 B 17 LEU HA B 18 VAL H 1.0 1.8 3.7 355 299 B 17 LEU HBx B 18 VAL H 1.0 1.8 4.4 356 300 B 17 LEU HBy B 18 VAL H 1.0 1.8 4.4 357 301 B 18 VAL HGy% B 19 CYS HA 1.0 1.8 5.3 358 302 B 15 LEU HA B 19 CYS H 1.0 1.8 3.7 359 303 B 16 TYR HA B 19 CYS H 1.0 1.8 5.0 360 304 B 19 CYS H B 18 VAL HA 1.0 1.8 3.4 361 305 B 18 VAL HB B 19 CYS H 1.0 1.8 3.7 362 306 B 18 VAL HGx% B 19 CYS H 1.0 2.0 5.0 363 307 B 18 VAL HGy% B 19 CYS H 1.0 1.8 4.4 364 308 B 18 VAL H B 19 CYS H 1.0 1.8 2.7 365 309 B 19 CYS H B 20 GLY H 1.0 1.8 3.4 366 310 B 19 CYS HBy B 22 ARG HBy 1.0 2.0 5.0 367 310 B 22 ARG HBx B 19 CYS HBy 1.0 2.0 5.0 368 310 B 19 CYS HBx B 22 ARG HBx 1.0 2.0 5.0 369 310 B 19 CYS HBx B 22 ARG HBy 1.0 2.0 5.0 370 311 B 16 TYR HA B 20 GLY H 1.0 1.8 5.0 371 312 B 19 CYS HA B 20 GLY H 1.0 1.8 3.7 372 313 B 22 ARG H B 20 GLY HAy 1.0 1.8 4.4 373 313 B 20 GLY HAx B 22 ARG H 1.0 1.8 4.4 374 314 B 22 ARG H B 21 GLU H 1.0 1.8 3.4 375 315 B 22 ARG H B 21 GLU HA 1.0 1.8 3.4 376 316 B 22 ARG H B 21 GLU HBx 1.0 1.8 4.4 377 317 B 22 ARG H B 21 GLU HBy 1.0 1.8 4.4 378 318 B 22 ARG H B 21 GLU HGx 1.0 1.8 6.0 379 318 B 22 ARG H B 21 GLU HGy 1.0 1.8 6.0 380 319 B 21 GLU HA B 23 GLY H 1.0 1.8 3.4 381 320 B 23 GLY H B 22 ARG HA 1.0 1.8 3.4 382 321 B 22 ARG H B 23 GLY H 1.0 1.8 2.7 383 322 B 24 ALA H B 23 GLY HAy 1.0 1.8 3.7 384 322 B 24 ALA H B 23 GLY HAx 1.0 1.8 3.7 385 323 B 25 PHE HD% B 24 ALA HB% 1.0 3.0 8.0 386 324 B 24 ALA HB% B 26 TYR HD% 1.0 3.5 8.5 387 325 B 24 ALA HB% B 25 PHE H 1.0 1.8 4.3 388 326 A 2 ILE HG2% B 26 TYR HD% 1.0 3.0 6.4 389 327 A 3 VAL HG1% B 26 TYR HD% 1.0 3.0 8.0 390 328 B 15 LEU HD1% B 26 TYR HD% 1.0 3.0 7.3 391 329 B 15 LEU HD2% B 26 TYR HD% 1.0 3.0 8.0 392 330 B 26 TYR HD% B 27 THR HG2% 1.0 3.0 6.4 393 331 A 2 ILE HG2% B 26 TYR HE% 1.0 3.0 8.0 394 332 B 12 VAL HGx% B 26 TYR HE% 1.0 3.0 8.0 395 333 B 15 LEU HD1% B 26 TYR HE% 1.0 3.0 7.3 396 334 B 26 TYR H B 25 PHE HA 1.0 1.8 2.7 397 335 B 27 THR HA B 26 TYR HB3 1.0 1.8 6.0 398 336 B 27 THR HA B 26 TYR HB2 1.0 1.8 6.0 399 337 B 27 THR H B 26 TYR HA 1.0 1.8 3.4 400 338 B 26 TYR HB3 B 27 THR H 1.0 1.8 4.4 401 339 B 26 TYR HB2 B 27 THR H 1.0 1.8 4.4 402 340 B 26 TYR H B 27 THR H 1.0 1.8 3.4 403 341 B 28 LYS HA B 29 PRO HDy 1.0 1.8 3.7 404 341 B 28 LYS HA B 29 PRO HDx 1.0 1.8 3.7 405 342 B 27 THR HA B 28 LYS H 1.0 1.8 2.7 406 343 B 27 THR HG2% B 28 LYS H 1.0 1.8 6.0 407 344 B 27 THR HG1 B 29 PRO HDy 1.0 1.8 4.4 408 344 B 29 PRO HDx B 27 THR HG1 1.0 1.8 4.4 409 345 B 28 LYS HBx B 29 PRO HDy 1.0 2.0 7.0 410 345 B 29 PRO HDx B 28 LYS HBy 1.0 2.0 7.0 411 345 B 29 PRO HDx B 28 LYS HBx 1.0 2.0 7.0 412 345 B 28 LYS HBy B 29 PRO HDy 1.0 2.0 7.0 413 346 B 28 LYS HG3 B 29 PRO HDy 1.0 2.0 7.0 414 346 B 28 LYS HG2 B 29 PRO HDy 1.0 2.0 7.0 415 346 B 29 PRO HDx B 28 LYS HG2 1.0 2.0 7.0 416 346 B 29 PRO HDx B 28 LYS HG3 1.0 2.0 7.0 417 347 B 30 THR HG2% B 29 PRO HDy 1.0 2.0 5.4 418 347 B 29 PRO HDx B 30 THR HG2% 1.0 2.0 5.4 419 348 B 30 THR H B 29 PRO HA 1.0 1.8 2.7 420 349 A 3 VAL HA A 3 VAL HG1% 1.0 1.8 3.7 421 350 A 3 VAL HA A 3 VAL HG2% 1.0 1.8 4.3 422 351 A 3 VAL HG1% A 3 VAL H 1.0 1.8 3.7 423 352 A 3 VAL HG2% A 3 VAL H 1.0 1.8 4.3 424 353 A 6 CYS HA A 6 CYS HBx 1.0 1.8 2.7 425 354 A 6 CYS HA A 6 CYS HBy 1.0 1.8 3.4 426 355 A 6 CYS HBx A 6 CYS H 1.0 1.8 3.7 427 356 A 6 CYS HBy A 6 CYS H 1.0 1.8 2.7 428 357 A 7 CYS HBx A 7 CYS HA 1.0 1.8 2.7 429 358 A 7 CYS HBy A 7 CYS HA 1.0 1.8 3.4 430 359 A 7 CYS HBx A 7 CYS H 1.0 1.8 3.4 431 360 A 7 CYS HBy A 7 CYS H 1.0 1.8 2.7 432 361 A 19 TYR HBx A 19 TYR HA 1.0 1.8 2.7 433 362 A 19 TYR HBy A 19 TYR HA 1.0 1.8 3.0 434 363 A 19 TYR HBx A 19 TYR H 1.0 1.8 3.7 435 364 A 19 TYR HBy A 19 TYR H 1.0 1.8 3.0 436 365 A 20 CYS HA A 20 CYS HBx 1.0 1.8 2.7 437 366 A 20 CYS HA A 20 CYS HBy 1.0 1.8 3.0 438 367 A 20 CYS H A 20 CYS HBx 1.0 1.8 4.3 439 368 A 20 CYS H A 20 CYS HBy 1.0 1.8 3.4 440 369 A 21 ASN HA A 21 ASN HBx 1.0 1.8 2.7 441 370 A 21 ASN HA A 21 ASN HBy 1.0 1.8 3.0 442 371 A 21 ASN H A 21 ASN HBx 1.0 1.8 3.7 443 372 A 21 ASN H A 21 ASN HBy 1.0 1.8 3.0 444 373 B 5 HIS HA B 5 HIS HBx 1.0 1.8 2.7 445 374 B 5 HIS HA B 5 HIS HBy 1.0 1.8 3.0 446 375 B 5 HIS HBx B 5 HIS H 1.0 1.8 3.7 447 376 B 5 HIS HBy B 5 HIS H 1.0 1.8 3.0 448 377 B 7 CYS HA B 7 CYS HBx 1.0 1.8 2.7 449 378 B 7 CYS HA B 7 CYS HBy 1.0 1.8 3.4 450 379 B 7 CYS H B 7 CYS HBx 1.0 1.8 4.3 451 380 B 7 CYS H B 7 CYS HBy 1.0 1.8 3.0 452 381 B 10 ASP HBx B 10 ASP HA 1.0 1.8 2.7 453 382 B 10 ASP HBy B 10 ASP HA 1.0 1.8 3.0 454 383 B 10 ASP HBx B 10 ASP H 1.0 1.8 3.7 455 384 B 10 ASP HBy B 10 ASP H 1.0 1.8 2.7 456 385 B 11 LEU HBx B 11 LEU HA 1.0 1.8 2.7 457 386 B 11 LEU HBy B 11 LEU HA 1.0 1.8 3.0 458 387 B 11 LEU HBx B 11 LEU H 1.0 1.8 3.7 459 388 B 11 LEU HBy B 11 LEU H 1.0 1.8 2.7 460 389 B 12 VAL HA B 12 VAL HGx% 1.0 1.8 3.7 461 390 B 12 VAL HA B 12 VAL HGy% 1.0 1.8 4.3 462 391 B 12 VAL H B 12 VAL HGx% 1.0 1.8 4.3 463 392 B 12 VAL H B 12 VAL HGy% 1.0 1.8 3.7 464 393 B 18 VAL HGx% B 18 VAL HA 1.0 1.8 3.7 465 394 B 18 VAL HGy% B 18 VAL HA 1.0 1.8 4.3 466 395 B 18 VAL HGx% B 18 VAL H 1.0 1.8 3.7 467 396 B 18 VAL HGy% B 18 VAL H 1.0 1.8 3.7 468 397 B 21 GLU HA B 21 GLU HBx 1.0 1.8 3.0 469 398 B 21 GLU HA B 21 GLU HBy 1.0 1.8 3.4 470 399 B 21 GLU H B 21 GLU HBx 1.0 1.8 3.7 471 400 B 21 GLU H B 21 GLU HBy 1.0 1.8 3.7 472 401 A 4 GLU HA A 4 GLU HB3 1.0 1.8 2.7 473 402 A 4 GLU HA A 4 GLU HB2 1.0 1.8 2.7 474 403 A 4 GLU H A 4 GLU HB3 1.0 1.8 3.4 475 404 A 4 GLU H A 4 GLU HB2 1.0 1.8 3.7 476 405 A 9 SER HBx A 9 SER HA 1.0 1.8 2.7 477 406 A 9 SER HBy A 9 SER HA 1.0 1.8 2.7 478 407 A 9 SER H A 9 SER HBx 1.0 1.8 3.7 479 408 A 9 SER H A 9 SER HBy 1.0 1.8 3.7 480 409 A 12 SER HA A 12 SER HBx 1.0 1.8 2.5 481 410 A 12 SER HA A 12 SER HBy 1.0 1.8 2.7 482 411 A 12 SER H A 12 SER HBx 1.0 1.8 3.4 483 412 A 12 SER H A 12 SER HBy 1.0 1.8 3.7 484 413 A 14 TYR HA A 14 TYR HB3 1.0 1.8 2.5 485 414 A 14 TYR HA A 14 TYR HB2 1.0 1.8 2.7 486 415 A 14 TYR H A 14 TYR HB3 1.0 1.8 3.4 487 416 A 14 TYR H A 14 TYR HB2 1.0 1.8 3.7 488 417 A 15 GLN HBx A 15 GLN HA 1.0 1.8 2.7 489 418 A 15 GLN HBy A 15 GLN HA 1.0 1.8 2.5 490 419 A 15 GLN HBx A 15 GLN H 1.0 1.8 2.5 491 420 A 15 GLN HBy A 15 GLN H 1.0 1.8 3.4 492 421 B 4 GLN HA B 4 GLN HBx 1.0 1.8 2.7 493 422 B 4 GLN HA B 4 GLN HBy 1.0 1.8 2.9 494 423 B 4 GLN HBx B 4 GLN H 1.0 1.8 3.7 495 424 B 4 GLN HBy B 4 GLN H 1.0 1.8 3.9 496 425 B 6 LEU HA B 6 LEU HBx 1.0 1.8 2.5 497 426 B 6 LEU HA B 6 LEU HBy 1.0 1.8 2.7 498 427 B 6 LEU H B 6 LEU HBx 1.0 1.8 3.4 499 428 B 6 LEU H B 6 LEU HBy 1.0 1.8 3.9 500 429 B 17 LEU HBx B 17 LEU HA 1.0 1.8 2.5 501 430 B 17 LEU HBy B 17 LEU HA 1.0 1.8 2.7 502 431 B 17 LEU HBx B 17 LEU H 1.0 1.8 3.7 503 432 B 17 LEU HBy B 17 LEU H 1.0 1.8 3.7 504 433 B 25 PHE HA B 25 PHE HB3 1.0 1.8 2.5 505 434 B 25 PHE HA B 25 PHE HB2 1.0 1.8 2.7 506 435 B 25 PHE H B 25 PHE HB3 1.0 1.8 3.4 507 436 B 25 PHE H B 25 PHE HB2 1.0 1.8 4.0 508 437 B 26 TYR HB3 B 26 TYR HA 1.0 1.8 2.5 509 438 B 26 TYR HB2 B 26 TYR HA 1.0 1.8 2.7 510 439 B 26 TYR H B 26 TYR HB3 1.0 1.8 3.7 511 440 B 26 TYR H B 26 TYR HB2 1.0 1.8 3.7 512 441 A 14 TYR HE% A 14 TYR HB3 1.0 2.0 5.4 513 442 A 14 TYR HE% A 14 TYR HB2 1.0 2.0 5.4 514 443 A 14 TYR HA A 14 TYR HD% 1.0 2.0 4.7 515 444 A 14 TYR HD% A 14 TYR HB3 1.0 2.0 4.7 516 445 A 14 TYR HD% A 14 TYR HB2 1.0 2.0 4.7 517 446 A 19 TYR HA A 19 TYR HE% 1.0 2.0 5.4 518 447 A 19 TYR HBx A 19 TYR HE% 1.0 2.0 7.0 519 448 A 19 TYR HBy A 19 TYR HE% 1.0 2.0 7.0 520 449 A 19 TYR HA A 19 TYR HD% 1.0 2.0 4.7 521 450 A 19 TYR HBx A 19 TYR HD% 1.0 2.0 4.7 522 451 A 19 TYR HBy A 19 TYR HD% 1.0 2.0 4.7 523 452 B 26 TYR HE% B 26 TYR HB3 1.0 2.0 7.0 524 453 B 26 TYR HE% B 26 TYR HB2 1.0 2.0 7.0 525 454 B 26 TYR HD% B 26 TYR HA 1.0 2.0 4.7 526 455 B 26 TYR HD% B 26 TYR HB3 1.0 2.0 4.7 527 456 B 26 TYR HD% B 26 TYR HB2 1.0 2.0 4.7 528 457 B 1 PHE HA B 1 PHE HD% 1.0 2.0 4.7 529 458 B 1 PHE HD% B 1 PHE HB2 1.0 2.0 4.7 530 458 B 1 PHE HD% B 1 PHE HB3 1.0 2.0 4.7 531 459 B 1 PHE HA B 1 PHE HE% 1.0 2.0 7.0 532 460 B 1 PHE HE% B 1 PHE HB2 1.0 2.0 7.0 533 460 B 1 PHE HE% B 1 PHE HB3 1.0 2.0 7.0 534 461 B 16 TYR HA B 16 TYR HE% 1.0 2.0 7.0 535 462 B 16 TYR HE% B 16 TYR HB2 1.0 2.0 5.4 536 462 B 16 TYR HB3 B 16 TYR HE% 1.0 2.0 5.4 537 463 B 16 TYR HA B 16 TYR HD% 1.0 2.0 4.7 538 464 B 16 TYR HD% B 16 TYR HB2 1.0 2.0 4.7 539 464 B 16 TYR HB3 B 16 TYR HD% 1.0 2.0 4.7 540 465 B 25 PHE HD% B 25 PHE HA 1.0 2.0 7.0 541 466 B 25 PHE HD% B 25 PHE HB3 1.0 2.0 4.7 542 467 B 25 PHE HD% B 25 PHE HB2 1.0 2.0 4.7 543 468 B 25 PHE HB3 B 25 PHE HE% 1.0 2.0 7.0 544 469 B 25 PHE HB2 B 25 PHE HE% 1.0 2.0 7.0 545 470 B 5 HIS HA B 5 HIS HD2 1.0 2.0 7.0 546 471 B 5 HIS HBx B 5 HIS HD2 1.0 2.0 5.4 547 472 B 5 HIS HBy B 5 HIS HD2 1.0 2.0 5.4 548 473 A 2 ILE HA A 2 ILE HB 1.0 1.8 3.4 549 474 A 2 ILE HD1% A 2 ILE HA 1.0 1.8 4.4 550 475 A 2 ILE HA A 2 ILE HG1y 1.0 1.8 6.0 551 475 A 2 ILE HG1x A 2 ILE HA 1.0 1.8 6.0 552 476 A 2 ILE HG2% A 2 ILE HA 1.0 1.8 5.3 553 477 A 2 ILE H A 2 ILE HA 1.0 1.8 3.4 554 478 A 2 ILE H A 2 ILE HB 1.0 1.8 3.4 555 479 A 2 ILE H A 2 ILE HD1% 1.0 1.8 6.0 556 480 A 3 VAL HA A 3 VAL HB 1.0 1.8 2.7 557 481 A 3 VAL HA A 3 VAL H 1.0 1.8 3.4 558 482 A 3 VAL H A 3 VAL HB 1.0 1.8 3.7 559 483 A 4 GLU HA A 4 GLU HGy 1.0 1.8 5.3 560 483 A 4 GLU HA A 4 GLU HGx 1.0 1.8 5.3 561 484 A 4 GLU H A 4 GLU HA 1.0 1.8 3.4 562 485 A 4 GLU H A 4 GLU HGy 1.0 1.8 6.0 563 485 A 4 GLU H A 4 GLU HGx 1.0 1.8 6.0 564 486 A 5 GLN HA A 5 GLN HB2 1.0 1.8 4.4 565 486 A 5 GLN HA A 5 GLN HB3 1.0 1.8 4.4 566 487 A 5 GLN HA A 5 GLN HGy 1.0 1.8 4.4 567 487 A 5 GLN HA A 5 GLN HGx 1.0 1.8 4.4 568 488 A 5 GLN HA A 5 GLN H 1.0 1.8 3.4 569 489 A 5 GLN H A 5 GLN HB2 1.0 1.8 4.4 570 489 A 5 GLN HB3 A 5 GLN H 1.0 1.8 4.4 571 490 A 5 GLN H A 5 GLN HGy 1.0 1.8 4.4 572 490 A 5 GLN HGx A 5 GLN H 1.0 1.8 4.4 573 491 A 6 CYS HA A 6 CYS H 1.0 1.8 5.0 574 492 A 7 CYS HA A 7 CYS H 1.0 1.8 5.0 575 493 A 8 THR HG2% A 8 THR HA 1.0 1.8 4.4 576 494 A 8 THR HB A 8 THR HG2% 1.0 1.8 3.7 577 495 A 8 THR H A 8 THR HA 1.0 1.8 3.4 578 496 A 8 THR HB A 8 THR H 1.0 1.8 4.3 579 497 A 8 THR HG2% A 8 THR H 1.0 1.8 5.3 580 498 A 9 SER H A 9 SER HA 1.0 1.8 3.4 581 499 A 10 ILE HA A 10 ILE HB 1.0 1.8 3.4 582 500 A 10 ILE HA A 10 ILE HD1% 1.0 1.8 3.7 583 501 A 10 ILE HA A 10 ILE HG1y 1.0 1.8 4.4 584 501 A 10 ILE HA A 10 ILE HG1x 1.0 1.8 4.4 585 502 A 10 ILE HA A 10 ILE HG2% 1.0 1.8 4.4 586 503 A 10 ILE HA A 10 ILE H 1.0 1.8 3.4 587 504 A 10 ILE H A 10 ILE HB 1.0 1.8 3.4 588 505 A 10 ILE H A 10 ILE HD1% 1.0 1.8 6.0 589 506 A 10 ILE H A 10 ILE HG2% 1.0 1.8 5.3 590 507 A 12 SER HA A 12 SER H 1.0 1.8 3.4 591 508 A 13 LEU HA A 13 LEU HBy 1.0 1.8 3.7 592 508 A 13 LEU HBx A 13 LEU HA 1.0 1.8 3.7 593 509 A 13 LEU HA A 13 LEU HDx% 1.0 1.8 5.3 594 510 A 13 LEU HA A 13 LEU HDy% 1.0 1.8 5.3 595 511 A 13 LEU HA A 13 LEU HG 1.0 1.8 4.3 596 512 A 13 LEU HA A 13 LEU H 1.0 1.8 3.4 597 513 A 13 LEU H A 13 LEU HBy 1.0 1.8 5.3 598 513 A 13 LEU HBx A 13 LEU H 1.0 1.8 5.3 599 514 A 13 LEU H A 13 LEU HDx% 1.0 1.8 6.0 600 515 A 13 LEU H A 13 LEU HDy% 1.0 1.8 6.0 601 516 A 14 TYR H A 14 TYR HA 1.0 1.8 3.4 602 517 A 15 GLN HA A 15 GLN HGy 1.0 1.8 5.3 603 517 A 15 GLN HA A 15 GLN HGx 1.0 1.8 5.3 604 518 A 15 GLN H A 15 GLN HA 1.0 1.8 3.4 605 519 A 15 GLN H A 15 GLN HGy 1.0 1.8 4.4 606 519 A 15 GLN H A 15 GLN HGx 1.0 1.8 4.4 607 520 A 16 LEU HA A 16 LEU HBy 1.0 1.8 3.7 608 520 A 16 LEU HBx A 16 LEU HA 1.0 1.8 3.7 609 521 A 16 LEU HD1% A 16 LEU HA 1.0 1.8 3.7 610 522 A 16 LEU HD2% A 16 LEU HA 1.0 1.8 6.0 611 523 A 16 LEU HG A 16 LEU HA 1.0 1.8 3.7 612 524 A 16 LEU H A 16 LEU HA 1.0 1.8 3.4 613 525 A 16 LEU H A 16 LEU HBy 1.0 1.8 4.4 614 525 A 16 LEU HBx A 16 LEU H 1.0 1.8 4.4 615 526 A 16 LEU HD1% A 16 LEU H 1.0 1.8 5.3 616 527 A 16 LEU HD2% A 16 LEU H 1.0 1.8 5.3 617 528 A 16 LEU HG A 16 LEU H 1.0 1.8 3.7 618 529 A 17 GLU HA A 17 GLU HBx 1.0 1.8 4.4 619 529 A 17 GLU HBy A 17 GLU HA 1.0 1.8 4.4 620 530 A 17 GLU HA A 17 GLU HG2 1.0 1.8 4.4 621 530 A 17 GLU HG3 A 17 GLU HA 1.0 1.8 4.4 622 531 A 17 GLU H A 17 GLU HA 1.0 1.8 3.4 623 532 A 17 GLU H A 17 GLU HBx 1.0 1.8 4.4 624 532 A 17 GLU HBy A 17 GLU H 1.0 1.8 4.4 625 533 A 17 GLU H A 17 GLU HG2 1.0 1.8 5.3 626 533 A 17 GLU HG3 A 17 GLU H 1.0 1.8 5.3 627 534 A 18 ASN HA A 18 ASN HBy 1.0 1.8 3.7 628 534 A 18 ASN HBx A 18 ASN HA 1.0 1.8 3.7 629 535 A 18 ASN H A 18 ASN HA 1.0 1.8 3.4 630 536 A 18 ASN H A 18 ASN HBy 1.0 1.8 3.7 631 536 A 18 ASN HBx A 18 ASN H 1.0 1.8 3.7 632 537 A 19 TYR H A 19 TYR HA 1.0 1.8 3.4 633 538 A 20 CYS H A 20 CYS HA 1.0 1.8 2.9 634 539 A 21 ASN H A 21 ASN HA 1.0 1.8 3.4 635 540 B 1 PHE HA B 1 PHE HB2 1.0 1.8 3.7 636 540 B 1 PHE HA B 1 PHE HB3 1.0 1.8 3.7 637 541 B 2 VAL HA B 2 VAL HB 1.0 1.8 2.7 638 542 B 2 VAL HG1% B 2 VAL HA 1.0 1.8 5.3 639 543 B 2 VAL HG2% B 2 VAL HA 1.0 1.8 3.7 640 544 B 2 VAL H B 2 VAL HA 1.0 1.8 3.4 641 545 B 2 VAL H B 2 VAL HB 1.0 1.8 4.3 642 546 B 2 VAL HG1% B 2 VAL H 1.0 1.8 5.3 643 547 B 2 VAL HG2% B 2 VAL H 1.0 1.8 5.3 644 548 B 3 ASN HA B 3 ASN HBy 1.0 1.8 4.4 645 548 B 3 ASN HA B 3 ASN HBx 1.0 1.8 4.4 646 549 B 3 ASN HA B 3 ASN H 1.0 1.8 3.4 647 550 B 3 ASN H B 3 ASN HBy 1.0 1.8 5.3 648 550 B 3 ASN HBx B 3 ASN H 1.0 1.8 5.3 649 551 B 4 GLN HA B 4 GLN HG2 1.0 1.8 5.3 650 551 B 4 GLN HA B 4 GLN HG3 1.0 1.8 5.3 651 552 B 4 GLN HA B 4 GLN H 1.0 1.8 3.4 652 553 B 4 GLN H B 4 GLN HG2 1.0 1.8 4.4 653 553 B 4 GLN H B 4 GLN HG3 1.0 1.8 4.4 654 554 B 5 HIS HA B 5 HIS H 1.0 1.8 3.4 655 555 B 6 LEU HDx% B 6 LEU HA 1.0 1.8 5.3 656 556 B 6 LEU HDy% B 6 LEU HA 1.0 1.8 5.3 657 557 B 6 LEU HA B 6 LEU HG 1.0 1.8 4.3 658 558 B 6 LEU HA B 6 LEU H 1.0 1.8 3.4 659 559 B 6 LEU HDx% B 6 LEU H 1.0 1.8 6.0 660 560 B 6 LEU HDy% B 6 LEU H 1.0 1.8 6.0 661 561 B 6 LEU H B 6 LEU HG 1.0 1.8 5.0 662 562 B 7 CYS HA B 7 CYS H 1.0 1.8 5.0 663 563 B 8 GLY H B 8 GLY HAy 1.0 1.8 3.7 664 563 B 8 GLY H B 8 GLY HAx 1.0 1.8 3.7 665 564 B 9 SER H B 9 SER HA 1.0 1.8 3.4 666 565 B 9 SER H B 9 SER HBy 1.0 1.8 3.7 667 565 B 9 SER H B 9 SER HBx 1.0 1.8 3.7 668 566 B 10 ASP H B 10 ASP HA 1.0 1.8 3.4 669 567 B 11 LEU HD1% B 11 LEU HA 1.0 1.8 5.3 670 568 B 11 LEU HD2% B 11 LEU HA 1.0 1.8 5.3 671 569 B 11 LEU HA B 11 LEU HG 1.0 1.8 3.4 672 570 B 11 LEU HA B 11 LEU H 1.0 1.8 3.4 673 571 B 11 LEU HD1% B 11 LEU H 1.0 1.8 6.0 674 572 B 11 LEU HD2% B 11 LEU H 1.0 1.8 6.0 675 573 B 12 VAL HA B 12 VAL HB 1.0 1.8 2.7 676 574 B 12 VAL H B 12 VAL HA 1.0 1.8 3.4 677 575 B 12 VAL H B 12 VAL HB 1.0 1.8 3.7 678 576 B 13 GLU HA B 13 GLU HB2 1.0 1.8 3.7 679 576 B 13 GLU HB3 B 13 GLU HA 1.0 1.8 3.7 680 577 B 13 GLU HA B 13 GLU HGy 1.0 1.8 4.4 681 577 B 13 GLU HA B 13 GLU HGx 1.0 1.8 4.4 682 578 B 13 GLU H B 13 GLU HA 1.0 1.8 2.7 683 579 B 13 GLU H B 13 GLU HB2 1.0 1.8 4.4 684 579 B 13 GLU HB3 B 13 GLU H 1.0 1.8 4.4 685 580 B 13 GLU H B 13 GLU HGy 1.0 1.8 4.4 686 580 B 13 GLU H B 13 GLU HGx 1.0 1.8 4.4 687 581 B 14 ALA HB% B 14 ALA HA 1.0 1.8 3.7 688 582 B 14 ALA HA B 14 ALA H 1.0 1.8 3.4 689 583 B 14 ALA HB% B 14 ALA H 1.0 1.8 3.7 690 584 B 15 LEU HA B 15 LEU HBy 1.0 1.8 3.7 691 584 B 15 LEU HBx B 15 LEU HA 1.0 1.8 3.7 692 585 B 15 LEU HD1% B 15 LEU HA 1.0 1.8 5.3 693 586 B 15 LEU HD2% B 15 LEU HA 1.0 1.8 5.3 694 587 B 15 LEU HG B 15 LEU HA 1.0 1.8 2.7 695 588 B 15 LEU HA B 15 LEU H 1.0 1.8 2.9 696 589 B 15 LEU H B 15 LEU HBy 1.0 1.8 4.4 697 589 B 15 LEU HBx B 15 LEU H 1.0 1.8 4.4 698 590 B 15 LEU HD1% B 15 LEU H 1.0 1.8 4.4 699 591 B 15 LEU HD2% B 15 LEU H 1.0 1.8 6.0 700 592 B 15 LEU HG B 15 LEU H 1.0 1.8 3.4 701 593 B 16 TYR HA B 16 TYR HB2 1.0 1.8 3.7 702 593 B 16 TYR HB3 B 16 TYR HA 1.0 1.8 3.7 703 594 B 16 TYR H B 16 TYR HA 1.0 1.8 3.4 704 595 B 16 TYR H B 16 TYR HB2 1.0 1.8 3.7 705 595 B 16 TYR HB3 B 16 TYR H 1.0 1.8 3.7 706 596 B 17 LEU HA B 17 LEU HG 1.0 1.8 3.4 707 597 B 17 LEU HA B 17 LEU H 1.0 1.8 3.4 708 598 B 17 LEU HD1% B 17 LEU H 1.0 1.8 6.0 709 599 B 17 LEU HD2% B 17 LEU H 1.0 1.8 5.3 710 600 B 17 LEU HG B 17 LEU H 1.0 1.8 3.4 711 601 B 18 VAL HB B 18 VAL HA 1.0 1.8 2.7 712 602 B 18 VAL H B 18 VAL HA 1.0 1.8 3.4 713 603 B 18 VAL HB B 18 VAL H 1.0 1.8 3.7 714 604 B 19 CYS HA B 19 CYS H 1.0 1.8 3.4 715 605 B 20 GLY H B 20 GLY HAy 1.0 1.8 3.7 716 605 B 20 GLY HAx B 20 GLY H 1.0 1.8 3.7 717 606 B 21 GLU H B 21 GLU HA 1.0 1.8 3.4 718 607 B 21 GLU H B 21 GLU HGx 1.0 1.8 5.3 719 607 B 21 GLU H B 21 GLU HGy 1.0 1.8 5.3 720 608 B 22 ARG HA B 22 ARG HBy 1.0 1.8 3.7 721 608 B 22 ARG HBx B 22 ARG HA 1.0 1.8 3.7 722 609 B 22 ARG HA B 22 ARG HD2 1.0 1.8 5.3 723 609 B 22 ARG HA B 22 ARG HD3 1.0 1.8 5.3 724 610 B 22 ARG HA B 22 ARG HG2 1.0 1.8 3.7 725 610 B 22 ARG HA B 22 ARG HG3 1.0 1.8 3.7 726 611 B 22 ARG H B 22 ARG HA 1.0 1.8 3.4 727 612 B 22 ARG H B 22 ARG HBy 1.0 1.8 4.4 728 612 B 22 ARG HBx B 22 ARG H 1.0 1.8 4.4 729 613 B 22 ARG H B 22 ARG HG2 1.0 1.8 5.3 730 613 B 22 ARG H B 22 ARG HG3 1.0 1.8 5.3 731 614 B 23 GLY H B 23 GLY HAy 1.0 1.8 3.7 732 614 B 23 GLY H B 23 GLY HAx 1.0 1.8 3.7 733 615 B 24 ALA HA B 24 ALA HB% 1.0 1.8 3.7 734 616 B 24 ALA HA B 24 ALA H 1.0 1.8 3.4 735 617 B 24 ALA H B 24 ALA HB% 1.0 1.8 4.4 736 618 B 25 PHE H B 25 PHE HA 1.0 1.8 2.9 737 619 B 26 TYR H B 26 TYR HA 1.0 1.8 3.4 738 620 B 27 THR HG2% B 27 THR HA 1.0 1.8 4.4 739 621 B 27 THR HG2% B 27 THR HB 1.0 1.8 3.7 740 622 B 27 THR HA B 27 THR H 1.0 1.8 3.4 741 623 B 27 THR H B 27 THR HB 1.0 1.8 4.3 742 624 B 27 THR HG2% B 27 THR H 1.0 1.8 5.3 743 625 B 28 LYS HA B 28 LYS HBy 1.0 1.8 4.4 744 625 B 28 LYS HA B 28 LYS HBx 1.0 1.8 4.4 745 626 B 28 LYS HA B 28 LYS HD2 1.0 1.8 5.3 746 626 B 28 LYS HA B 28 LYS HD3 1.0 1.8 5.3 747 627 B 28 LYS HA B 28 LYS HG2 1.0 1.8 4.4 748 627 B 28 LYS HA B 28 LYS HG3 1.0 1.8 4.4 749 628 B 28 LYS HA B 28 LYS H 1.0 1.8 3.4 750 629 B 28 LYS H B 28 LYS HBy 1.0 1.8 4.4 751 629 B 28 LYS H B 28 LYS HBx 1.0 1.8 4.4 752 630 B 28 LYS H B 28 LYS HD2 1.0 1.8 5.3 753 630 B 28 LYS H B 28 LYS HD3 1.0 1.8 5.3 754 631 B 28 LYS H B 28 LYS HG2 1.0 1.8 6.0 755 631 B 28 LYS H B 28 LYS HG3 1.0 1.8 6.0 756 632 B 29 PRO HA B 29 PRO HBy 1.0 1.8 4.4 757 632 B 29 PRO HA B 29 PRO HBx 1.0 1.8 4.4 758 633 B 29 PRO HA B 29 PRO HDy 1.0 1.8 5.3 759 633 B 29 PRO HDx B 29 PRO HA 1.0 1.8 5.3 760 634 B 29 PRO HA B 29 PRO HG2 1.0 1.8 5.3 761 634 B 29 PRO HA B 29 PRO HG3 1.0 1.8 5.3 762 635 B 30 THR HG2% B 30 THR HA 1.0 1.8 6.0 763 636 B 30 THR HG2% B 30 THR HB 1.0 1.8 6.0 764 637 B 30 THR H B 30 THR HA 1.0 1.8 5.0 765 638 B 30 THR H B 30 THR HB 1.0 1.8 5.0 766 639 B 30 THR HG2% B 30 THR H 1.0 1.8 4.4 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 15 GLN H A 12 SER O 1.0 1.8 2.7 2 2 A 12 SER O A 15 GLN N 1.0 1.8 3.3 3 3 A 16 LEU H A 12 SER O 1.0 1.8 2.7 4 4 A 12 SER O A 16 LEU N 1.0 1.8 3.3 5 5 A 17 GLU H A 13 LEU O 1.0 1.8 2.7 6 6 A 13 LEU O A 17 GLU N 1.0 1.8 3.3 7 7 A 17 GLU H A 14 TYR O 1.0 1.8 2.7 8 8 A 17 GLU N A 14 TYR O 1.0 1.8 3.3 9 9 A 18 ASN H A 15 GLN O 1.0 1.8 2.7 10 10 A 15 GLN O A 18 ASN N 1.0 1.8 3.3 11 11 A 19 TYR H A 16 LEU O 1.0 1.8 2.7 12 12 A 16 LEU O A 19 TYR N 1.0 1.8 3.3 13 13 B 10 ASP H B 7 CYS O 1.0 1.8 2.7 14 14 B 7 CYS O B 10 ASP N 1.0 1.8 3.3 15 15 B 11 LEU H B 8 GLY O 1.0 1.8 2.7 16 16 B 8 GLY O B 11 LEU N 1.0 1.8 3.3 17 17 B 12 VAL H B 8 GLY O 1.0 1.8 2.7 18 18 B 8 GLY O B 12 VAL N 1.0 1.8 3.5 19 19 B 12 VAL H B 9 SER O 1.0 1.8 2.7 20 20 B 12 VAL N B 9 SER O 1.0 1.8 3.5 21 21 B 13 GLU H B 9 SER O 1.0 1.8 2.7 22 22 B 9 SER O B 13 GLU N 1.0 1.8 3.3 23 23 B 14 ALA H B 10 ASP O 1.0 1.8 2.7 24 24 B 10 ASP O B 14 ALA N 1.0 1.8 3.3 25 25 B 15 LEU H B 11 LEU O 1.0 1.8 2.7 26 26 B 11 LEU O B 15 LEU N 1.0 1.8 3.3 27 27 B 16 TYR H B 12 VAL O 1.0 1.8 2.7 28 28 B 12 VAL O B 16 TYR N 1.0 1.8 3.3 29 29 B 17 LEU H B 13 GLU O 1.0 1.8 2.7 30 30 B 13 GLU O B 17 LEU N 1.0 1.8 3.6 31 31 B 18 VAL H B 14 ALA O 1.0 1.8 2.7 32 32 B 14 ALA O B 18 VAL N 1.0 1.8 3.3 33 33 B 19 CYS H B 15 LEU O 1.0 1.8 2.7 34 34 B 15 LEU O B 19 CYS N 1.0 1.8 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 GLY C A 2 ILE N A 2 ILE CA A 2 ILE C 1.0 -105.0 -25.0 PHI 2 2 A 2 ILE C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -105.0 -25.0 PHI 3 3 A 3 VAL C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -105.0 -25.0 PHI 4 4 A 4 GLU C A 5 GLN N A 5 GLN CA A 5 GLN C 1.0 -105.0 -25.0 PHI 5 5 A 5 GLN C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -105.0 -25.0 PHI 6 6 A 12 SER C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -105.0 -25.0 PHI 7 7 A 13 LEU C A 14 TYR N A 14 TYR CA A 14 TYR C 1.0 -105.0 -25.0 PHI 8 8 A 14 TYR C A 15 GLN N A 15 GLN CA A 15 GLN C 1.0 -105.0 -25.0 PHI 9 9 A 15 GLN C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -105.0 -25.0 PHI 10 10 A 16 LEU C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -105.0 -25.0 PHI 11 11 A 17 GLU C A 18 ASN N A 18 ASN CA A 18 ASN C 1.0 -105.0 -25.0 PHI 12 12 A 18 ASN C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -105.0 -25.0 PHI 13 13 B 9 SER C B 10 ASP N B 10 ASP CA B 10 ASP C 1.0 -105.0 -25.0 PHI 14 14 B 10 ASP C B 11 LEU N B 11 LEU CA B 11 LEU C 1.0 -105.0 -25.0 PHI 15 15 B 11 LEU C B 12 VAL N B 12 VAL CA B 12 VAL C 1.0 -105.0 -25.0 PHI 16 16 B 12 VAL C B 13 GLU N B 13 GLU CA B 13 GLU C 1.0 -105.0 -25.0 PHI 17 17 B 13 GLU C B 14 ALA N B 14 ALA CA B 14 ALA C 1.0 -105.0 -25.0 PHI 18 18 B 14 ALA C B 15 LEU N B 15 LEU CA B 15 LEU C 1.0 -105.0 -25.0 PHI 19 19 B 15 LEU C B 16 TYR N B 16 TYR CA B 16 TYR C 1.0 -105.0 -25.0 PHI 20 20 B 16 TYR C B 17 LEU N B 17 LEU CA B 17 LEU C 1.0 -105.0 -25.0 PHI 21 21 B 17 LEU C B 18 VAL N B 18 VAL CA B 18 VAL C 1.0 -105.0 -25.0 PHI 22 22 B 18 VAL C B 19 CYS N B 19 CYS CA B 19 CYS C 1.0 -105.0 -25.0 PHI 23 23 A 9 SER C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -160.0 -80.0 PHI 24 24 A 11 CYS C A 12 SER N A 12 SER CA A 12 SER C 1.0 -160.0 -80.0 PHI 25 25 B 1 PHE C B 2 VAL N B 2 VAL CA B 2 VAL C 1.0 -160.0 -80.0 PHI 26 26 B 3 ASN C B 4 GLN N B 4 GLN CA B 4 GLN C 1.0 -160.0 -80.0 PHI 27 27 B 5 HIS C B 6 LEU N B 6 LEU CA B 6 LEU C 1.0 -160.0 -80.0 PHI 28 28 B 26 TYR C B 27 THR N B 27 THR CA B 27 THR C 1.0 -160.0 -80.0 PHI 29 29 A 3 VAL N A 3 VAL CA A 3 VAL CB A 3 VAL CG1 1.0 -100.0 -20.0 CHI1 30 30 A 6 CYS N A 6 CYS CA A 6 CYS CB A 6 CYS SG 1.0 -100.0 -20.0 CHI1 31 31 A 7 CYS N A 7 CYS CA A 7 CYS CB A 7 CYS SG 1.0 -100.0 -20.0 CHI1 32 32 A 19 TYR N A 19 TYR CA A 19 TYR CB A 19 TYR CG 1.0 -100.0 -20.0 CHI1 33 33 A 20 CYS N A 20 CYS CA A 20 CYS CB A 20 CYS SG 1.0 -100.0 -20.0 CHI1 34 34 A 21 ASN N A 21 ASN CA A 21 ASN CB A 21 ASN CG 1.0 -100.0 -20.0 CHI1 35 35 B 5 HIS N B 5 HIS CA B 5 HIS CB B 5 HIS CG 1.0 -100.0 -20.0 CHI1 36 36 B 7 CYS N B 7 CYS CA B 7 CYS CB B 7 CYS SG 1.0 -100.0 -20.0 CHI1 37 37 B 10 ASP N B 10 ASP CA B 10 ASP CB B 10 ASP CG 1.0 -100.0 -20.0 CHI1 38 38 B 11 LEU N B 11 LEU CA B 11 LEU CB B 11 LEU CG 1.0 -100.0 -20.0 CHI1 39 39 B 12 VAL N B 12 VAL CA B 12 VAL CB B 12 VAL CG1 1.0 -100.0 -20.0 CHI1 40 40 B 18 VAL N B 18 VAL CA B 18 VAL CB B 18 VAL CG1 1.0 -100.0 -20.0 CHI1 41 41 B 19 CYS N B 19 CYS CA B 19 CYS CB B 19 CYS SG 1.0 -100.0 -20.0 CHI1 42 42 B 21 GLU N B 21 GLU CA B 21 GLU CB B 21 GLU CG 1.0 140.0 220.0 CHI1 43 43 A 4 GLU N A 4 GLU CA A 4 GLU CB A 4 GLU CG 1.0 20.0 100.0 CHI1 44 44 A 9 SER N A 9 SER CA A 9 SER CB A 9 SER OG 1.0 20.0 100.0 CHI1 45 45 A 12 SER N A 12 SER CA A 12 SER CB A 12 SER OG 1.0 20.0 100.0 CHI1 46 46 A 14 TYR N A 14 TYR CA A 14 TYR CB A 14 TYR CG 1.0 20.0 100.0 CHI1 47 47 A 15 GLN N A 15 GLN CA A 15 GLN CB A 15 GLN CG 1.0 20.0 100.0 CHI1 48 48 B 4 GLN N B 4 GLN CA B 4 GLN CB B 4 GLN CG 1.0 20.0 100.0 CHI1 49 49 B 6 LEU N B 6 LEU CA B 6 LEU CB B 6 LEU CG 1.0 20.0 100.0 CHI1 50 50 B 17 LEU N B 17 LEU CA B 17 LEU CB B 17 LEU CG 1.0 20.0 100.0 CHI1 51 51 B 25 PHE N B 25 PHE CA B 25 PHE CB B 25 PHE CG 1.0 20.0 100.0 CHI1 52 52 B 26 TYR N B 26 TYR CA B 26 TYR CB B 26 TYR CG 1.0 20.0 100.0 CHI1 stop_ save_