data_nef_c19979_2mpi 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 PDB 2MPI 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 . . . 2 A 2 ILE . . . 3 A 3 VAL . . . 4 A 4 GLU . . . 5 A 5 GLN . . . 6 A 6 CYS . -HG . 7 A 7 CYS . -HG . 8 A 8 THR . . . 9 A 9 SER . . . 10 A 10 ILE . . . 11 A 11 CYS . -HG . 12 A 12 SER . . . 13 A 13 LEU . . . 14 A 14 TYR . . . 15 A 15 GLN . . . 16 A 16 LEU . . . 17 A 17 GLU . . . 18 A 18 ASN . . . 19 A 19 TYR . . . 20 A 20 CYS . -HG . 21 A 21 ASN . . . 22 B 22 PHE start . . 23 B 23 VAL middle . . 24 B 24 ASN middle . . 25 B 25 GLN middle . . 26 B 26 HIS middle . . 27 B 27 LEU middle . . 28 B 28 CYS middle -HG . 29 B 29 GLY middle . false 30 B 30 SER middle . . 31 B 31 ASP middle . . 32 B 32 LEU middle . . 33 B 33 VAL middle . . 34 B 34 GLU middle . . 35 B 35 ALA middle . . 36 B 36 LEU middle . . 37 B 37 TYR middle . . 38 B 38 LEU middle . . 39 B 39 VAL middle . . 40 B 40 CYS middle -HG . 41 B 41 GLY middle . false 42 B 42 GLU middle . . 43 B 43 ARG middle . . 44 B 44 GLY middle . false 45 B 45 GLY middle . false 46 B 46 PHE middle . . 47 B 47 TYR middle . . 48 B 48 THR middle . . 49 B 49 LYS middle . . 50 B 50 PRO middle . false 51 B 51 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 3.90 . A 2 ILE HB H 1 1.34 . A 2 ILE HD1% H 1 0.69 . A 2 ILE HG1y H 1 1.21 . A 2 ILE HG1x H 1 0.99 . A 2 ILE HG2% H 1 0.78 . A 3 VAL H H 1 8.12 . A 3 VAL HA H 1 3.68 . A 3 VAL HB H 1 1.98 . A 3 VAL HGx% H 1 0.83 . A 3 VAL HGy% H 1 0.93 . A 4 GLU HA H 1 4.16 . A 4 GLU HBx H 1 2.13 . A 4 GLU HGy H 1 2.44 . A 4 GLU HGx H 1 2.26 . A 5 GLN HA H 1 4.12 . A 5 GLN HBx H 1 2.13 . A 5 GLN HBy H 1 2.13 . A 5 GLN HGx H 1 2.48 . A 6 CYS HA H 1 5.07 . A 6 CYS HBy H 1 3.41 . A 6 CYS HBx H 1 2.90 . A 7 CYS HA H 1 4.89 . A 7 CYS HBx H 1 3.30 . A 7 CYS HBy H 1 3.78 . A 8 THR HA H 1 4.15 . A 8 THR HB H 1 4.42 . A 8 THR HG2% H 1 1.26 . A 9 SER HA H 1 4.69 . A 9 SER HBx H 1 3.85 . A 9 SER HBy H 1 3.97 . A 10 ILE HA H 1 4.27 . A 10 ILE HB H 1 1.61 . A 10 ILE HD1% H 1 0.55 . A 10 ILE HG1y H 1 1.61 . A 10 ILE HG1x H 1 1.13 . A 10 ILE HG2% H 1 0.71 . A 11 CYS HA H 1 4.88 . A 11 CYS HBy H 1 3.32 . A 11 CYS HBx H 1 2.76 . A 12 SER HA H 1 4.62 . A 12 SER HBx H 1 4.00 . A 12 SER HBy H 1 4.13 . A 13 LEU HA H 1 3.94 . A 13 LEU HBx H 1 1.50 . A 13 LEU HDx% H 1 0.89 . A 13 LEU HDy% H 1 0.81 . A 13 LEU HG H 1 1.58 . A 14 TYR H H 1 7.64 . A 14 TYR HA H 1 4.38 . A 14 TYR HBx H 1 3.02 . A 14 TYR HDx H 1 7.14 . A 14 TYR HEx H 1 6.90 . A 15 GLN H H 1 7.53 . A 15 GLN HA H 1 4.01 . A 15 GLN HBy H 1 2.32 . A 15 GLN HBx H 1 2.21 . A 15 GLN HGx H 1 2.40 . A 16 LEU H H 1 7.91 . A 17 GLU H H 1 8.11 . A 17 GLU HA H 1 4.11 . A 17 GLU HBx H 1 1.98 . A 17 GLU HBy H 1 2.07 . A 17 GLU HGx H 1 2.19 . A 17 GLU HGy H 1 2.39 . A 18 ASN H H 1 7.44 . A 18 ASN HA H 1 4.50 . A 18 ASN HBx H 1 2.57 . A 19 TYR H H 1 7.97 . A 19 TYR HA H 1 4.55 . A 19 TYR HBy H 1 3.36 . A 19 TYR HBx H 1 3.00 . A 19 TYR HDx H 1 7.29 . A 19 TYR HEx H 1 6.82 . A 20 CYS H H 1 7.50 . A 20 CYS HA H 1 4.85 . A 20 CYS HBy H 1 3.22 . A 20 CYS HBx H 1 2.90 . A 21 ASN H H 1 8.04 . A 21 ASN HA H 1 4.51 . A 21 ASN HBy H 1 2.79 . A 21 ASN HBx H 1 2.63 . B 22 PHE HA H 1 3.89 . B 22 PHE HBx H 1 3.07 . B 22 PHE HBy H 1 3.07 . B 23 VAL HA H 1 4.19 . B 23 VAL HB H 1 2.00 . B 23 VAL HGx% H 1 0.85 . B 24 ASN HA H 1 4.59 . B 24 ASN HBx H 1 2.79 . B 24 ASN HBy H 1 2.88 . B 25 GLN HA H 1 4.50 . B 25 GLN HBy H 1 2.00 . B 25 GLN HBx H 1 1.98 . B 25 GLN HGx H 1 2.21 . B 25 GLN HGy H 1 2.25 . B 26 HIS HA H 1 4.42 . B 26 HIS HBy H 1 3.43 . B 26 HIS HBx H 1 3.11 . B 26 HIS HD2 H 1 6.92 . B 26 HIS HE1 H 1 7.78 . B 27 LEU H H 1 8.83 . B 27 LEU HA H 1 4.59 . B 27 LEU HBy H 1 1.78 . B 27 LEU HBx H 1 1.66 . B 27 LEU HDx% H 1 0.91 . B 27 LEU HDy% H 1 0.81 . B 27 LEU HG H 1 1.64 . B 28 CYS H H 1 8.72 . B 28 CYS HA H 1 4.95 . B 28 CYS HBy H 1 3.24 . B 28 CYS HBx H 1 2.01 . B 30 SER HA H 1 4.18 . B 30 SER HBx H 1 3.98 . B 30 SER HBy H 1 4.07 . B 31 ASP H H 1 8.07 . B 31 ASP HA H 1 4.46 . B 31 ASP HBy H 1 2.98 . B 31 ASP HBx H 1 2.69 . B 32 LEU HA H 1 4.02 . B 32 LEU HBy H 1 1.86 . B 32 LEU HBx H 1 1.30 . B 32 LEU HDy% H 1 0.79 . B 32 LEU HG H 1 1.45 . B 33 VAL H H 1 7.14 . B 33 VAL HA H 1 3.42 . B 33 VAL HB H 1 2.15 . B 33 VAL HGx% H 1 0.97 . B 33 VAL HGy% H 1 0.92 . B 34 GLU H H 1 7.99 . B 34 GLU HA H 1 4.09 . B 34 GLU HBx H 1 2.12 . B 34 GLU HBy H 1 2.12 . B 34 GLU HGy H 1 2.46 . B 34 GLU HGx H 1 2.33 . B 35 ALA H H 1 7.75 . B 35 ALA HA H 1 4.13 . B 35 ALA HB% H 1 1.44 . B 36 LEU H H 1 8.04 . B 36 LEU HA H 1 3.99 . B 36 LEU HBy H 1 1.68 . B 36 LEU HBx H 1 1.28 . B 36 LEU HDx% H 1 0.77 . B 36 LEU HDy% H 1 0.68 . B 36 LEU HG H 1 1.65 . B 37 TYR H H 1 8.04 . B 37 TYR HA H 1 4.31 . B 37 TYR HBx H 1 3.16 . B 37 TYR HBy H 1 3.16 . B 37 TYR HDy H 1 7.16 . B 37 TYR HEy H 1 6.82 . B 38 LEU H H 1 7.72 . B 38 LEU HA H 1 4.11 . B 38 LEU HBy H 1 1.97 . B 38 LEU HBx H 1 1.78 . B 38 LEU HDx% H 1 0.95 . B 38 LEU HG H 1 1.82 . B 39 VAL H H 1 8.27 . B 39 VAL HA H 1 3.87 . B 39 VAL HB H 1 2.07 . B 39 VAL HGx% H 1 0.92 . B 39 VAL HGy% H 1 1.03 . B 40 CYS H H 1 8.74 . B 40 CYS HA H 1 4.77 . B 40 CYS HBy H 1 3.20 . B 40 CYS HBx H 1 2.89 . B 41 GLY H H 1 7.84 . B 41 GLY HAy H 1 4.01 . B 41 GLY HAx H 1 3.86 . B 42 GLU HA H 1 4.22 . B 42 GLU HBx H 1 2.05 . B 42 GLU HBy H 1 2.15 . B 42 GLU HGy H 1 2.34 . B 42 GLU HGx H 1 2.30 . B 43 ARG H H 1 8.09 . B 43 ARG HA H 1 4.34 . B 43 ARG HBy H 1 2.02 . B 43 ARG HBx H 1 1.91 . B 43 ARG HDx H 1 3.25 . B 43 ARG HGy H 1 1.77 . B 43 ARG HGx H 1 1.72 . B 46 PHE H H 1 8.52 . B 46 PHE HA H 1 4.63 . B 46 PHE HBx H 1 3.03 . B 46 PHE HBy H 1 3.03 . B 46 PHE HDy H 1 7.15 . B 46 PHE HEy H 1 7.31 . B 47 TYR HA H 1 4.59 . B 47 TYR HBy H 1 2.95 . B 47 TYR HBx H 1 2.84 . B 47 TYR HDx H 1 7.00 . B 47 TYR HEx H 1 6.79 . B 48 THR HA H 1 4.29 . B 48 THR HB H 1 4.10 . B 48 THR HG2% H 1 1.15 . B 49 LYS HA H 1 4.49 . B 49 LYS HBy H 1 1.82 . B 49 LYS HBx H 1 1.73 . B 49 LYS HDx H 1 1.70 . B 49 LYS HDy H 1 1.70 . B 49 LYS HEx H 1 2.99 . B 49 LYS HEy H 1 2.99 . B 49 LYS HGx H 1 1.46 . B 49 LYS HGy H 1 1.46 . B 50 PRO HA H 1 4.49 . B 50 PRO HBy H 1 2.39 . B 50 PRO HBx H 1 2.07 . B 50 PRO HDx H 1 3.68 . B 50 PRO HDy H 1 3.84 . B 50 PRO HGx H 1 2.00 . B 50 PRO HGy H 1 2.00 . B 51 THR H H 1 7.74 . B 51 THR HA H 1 4.14 . B 51 THR HB H 1 4.23 . B 51 THR HG2% H 1 1.20 . 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 HA A 5 GLN HBx 1.0 1.0 4.4 2 1 A 2 ILE HA A 5 GLN HBy 1.0 1.0 4.4 3 2 A 3 VAL HA A 2 ILE HG2% 1.0 1.0 6.0 4 3 A 3 VAL HA A 7 CYS HBx 1.0 1.0 6.0 5 3 A 3 VAL HA A 7 CYS HBy 1.0 1.0 6.0 6 4 A 3 VAL HA B 32 LEU HD11 1.0 1.0 3.7 7 5 A 3 VAL HA B 32 LEU HDy% 1.0 1.0 3.7 8 6 A 2 ILE HG2% A 3 VAL H 1.0 1.0 4.4 9 7 A 4 GLU HA A 3 VAL HGx% 1.0 1.5 6.5 10 8 A 4 GLU HA A 3 VAL HGy% 1.0 1.0 4.4 11 9 A 6 CYS HA A 7 CYS HBx 1.0 1.0 6.0 12 9 A 7 CYS HBy A 6 CYS HA 1.0 1.0 6.0 13 10 A 6 CYS HA A 11 CYS HBy 1.0 1.0 4.4 14 10 A 6 CYS HA A 11 CYS HBx 1.0 1.0 4.4 15 11 A 6 CYS HBx A 16 LEU HG 1.0 1.0 6.0 16 12 A 6 CYS HBx B 27 LEU HDx% 1.0 2.0 4.7 17 13 A 6 CYS HBx B 27 LEU HDy% 1.0 2.0 4.7 18 14 A 16 LEU HG A 6 CYS HBy 1.0 1.0 6.0 19 15 B 27 LEU HDx% A 6 CYS HBy 1.0 2.0 4.7 20 16 B 27 LEU HDy% A 6 CYS HBy 1.0 2.0 4.7 21 17 A 7 CYS HA B 26 HIS HBx 1.0 1.3 4.7 22 18 B 27 LEU HDx% A 7 CYS HA 1.0 1.0 6.0 23 19 B 27 LEU HDy% A 7 CYS HA 1.0 1.0 6.0 24 20 A 3 VAL HGx% A 7 CYS HBx 1.0 2.0 5.4 25 20 A 7 CYS HBy A 3 VAL HGx% 1.0 2.0 5.4 26 21 A 3 VAL HGy% A 7 CYS HBx 1.0 2.0 5.4 27 21 A 7 CYS HBy A 3 VAL HGy% 1.0 2.0 5.4 28 22 A 8 THR HG2% A 7 CYS HBx 1.0 2.0 7.0 29 22 A 7 CYS HBy A 8 THR HG2% 1.0 2.0 7.0 30 23 B 27 LEU HDx% A 7 CYS HBx 1.0 2.0 7.0 31 23 A 7 CYS HBy B 27 LEU HDx% 1.0 2.0 7.0 32 24 B 27 LEU HDy% A 7 CYS HBx 1.0 2.0 7.5 33 24 A 7 CYS HBy B 27 LEU HDy% 1.0 2.0 7.5 34 25 B 32 LEU HD11 A 7 CYS HBx 1.0 2.0 7.0 35 25 A 7 CYS HBy B 32 LEU HD11 1.0 2.0 7.0 36 26 B 32 LEU HDy% A 7 CYS HBx 1.0 2.0 7.0 37 26 A 7 CYS HBy B 32 LEU HDy% 1.0 2.0 7.0 38 27 A 15 GLN HBx A 11 CYS HBy 1.0 2.0 5.4 39 27 A 11 CYS HBx A 15 GLN HBx 1.0 2.0 5.4 40 28 A 15 GLN HBy A 11 CYS HBy 1.0 2.0 5.4 41 28 A 11 CYS HBx A 15 GLN HBy 1.0 2.0 5.4 42 29 A 11 CYS HBy A 15 GLN HGx 1.0 2.0 5.4 43 29 A 11 CYS HBx A 15 GLN HGx 1.0 2.0 5.4 44 29 A 15 GLN HGy A 11 CYS HBy 1.0 2.0 5.4 45 29 A 11 CYS HBx A 15 GLN HGy 1.0 2.0 5.4 46 30 B 27 LEU HDx% A 11 CYS HBy 1.0 2.0 7.0 47 30 A 11 CYS HBx B 27 LEU HDx% 1.0 2.0 7.0 48 31 B 27 LEU HDy% A 11 CYS HBy 1.0 2.0 7.0 49 31 A 11 CYS HBx B 27 LEU HDy% 1.0 2.0 7.0 50 32 A 12 SER HA A 10 ILE HG2% 1.0 1.0 6.0 51 33 A 12 SER HA A 13 LEU HBx 1.0 1.0 6.0 52 33 A 12 SER HA A 13 LEU HBy 1.0 1.0 6.0 53 34 A 12 SER HA B 23 VAL HGx% 1.0 1.0 4.4 54 35 A 12 SER HA B 23 VAL HG21 1.0 1.0 4.4 55 36 A 13 LEU HA A 16 LEU HBy 1.0 1.0 6.0 56 37 A 13 LEU HA A 16 LEU HBx 1.0 1.0 6.0 57 38 A 13 LEU HG B 39 VAL HGx% 1.0 1.0 4.4 58 39 A 13 LEU HG B 39 VAL HGy% 1.0 1.0 4.4 59 40 A 14 TYR HA A 13 LEU HBx 1.0 1.0 6.0 60 40 A 13 LEU HBy A 14 TYR HA 1.0 1.0 6.0 61 41 A 14 TYR HA A 17 GLU HBy 1.0 1.0 4.4 62 42 A 14 TYR HA A 17 GLU HBx 1.0 1.0 4.4 63 43 A 14 TYR HA A 17 GLU HGx 1.0 1.0 6.0 64 43 A 14 TYR HA A 17 GLU HGy 1.0 1.0 6.0 65 44 A 15 GLN HA A 18 ASN HBx 1.0 1.0 6.0 66 44 A 15 GLN HA A 18 ASN HBy 1.0 1.0 6.0 67 45 A 15 GLN H A 14 TYR HBx 1.0 1.0 6.0 68 45 A 15 GLN H A 14 TYR HBy 1.0 1.0 6.0 69 46 A 15 GLN H A 16 LEU H 1.0 0.0 5.0 70 47 A 15 GLN HA A 16 LEU H 1.0 0.0 5.0 71 48 A 15 GLN HBx A 16 LEU H 1.0 1.0 6.0 72 49 A 15 GLN HBy A 16 LEU H 1.0 1.0 6.0 73 50 A 17 GLU H A 16 LEU HD11 1.0 1.0 6.0 74 51 A 17 GLU H A 16 LEU HD21 1.0 1.0 6.0 75 52 A 16 LEU H A 17 GLU H 1.0 0.0 5.0 76 53 A 19 TYR HA A 2 ILE HD1% 1.0 1.0 6.0 77 54 A 2 ILE HD1% A 19 TYR HBx 1.0 2.0 5.4 78 55 A 19 TYR HBx B 36 LEU HDx% 1.0 2.0 5.4 79 56 A 2 ILE HD1% A 19 TYR HBy 1.0 2.0 5.4 80 57 B 36 LEU HDx% A 19 TYR HBy 1.0 2.0 5.4 81 58 A 2 ILE HD1% A 19 TYR HD% 1.0 3.0 5.7 82 59 A 19 TYR HD% A 16 LEU HA 1.0 2.0 4.7 83 60 B 36 LEU HDx% A 19 TYR HD% 1.0 3.0 5.7 84 61 A 19 TYR HD% B 36 LEU HDy% 1.0 3.0 5.7 85 62 A 2 ILE HA A 19 TYR HE% 1.0 2.0 7.0 86 63 A 2 ILE HD1% A 19 TYR HE% 1.0 3.0 8.0 87 64 A 2 ILE HG2% A 19 TYR HE% 1.0 3.0 8.0 88 65 A 16 LEU HD11 A 19 TYR HE% 1.0 3.0 6.4 89 66 A 16 LEU HD21 A 19 TYR HE% 1.0 3.0 6.4 90 67 B 36 LEU HDx% A 19 TYR HE% 1.0 3.0 8.0 91 68 B 36 LEU HDy% A 19 TYR HE% 1.0 3.0 8.0 92 69 A 19 TYR H A 18 ASN HA 1.0 0.0 5.0 93 70 A 19 TYR H A 18 ASN HBx 1.0 1.0 4.4 94 70 A 18 ASN HBy A 19 TYR H 1.0 1.0 4.4 95 71 A 19 TYR H A 20 CYS H 1.0 0.4 3.4 96 72 A 20 CYS HA B 40 CYS HBx 1.0 1.0 6.0 97 73 A 20 CYS HA B 40 CYS HBy 1.0 1.0 6.0 98 74 A 19 TYR HA A 20 CYS H 1.0 0.0 5.0 99 75 A 20 CYS HA A 21 ASN H 1.0 0.4 2.7 100 76 A 21 ASN H A 20 CYS HBx 1.0 1.0 6.0 101 77 A 21 ASN H A 20 CYS HBy 1.0 1.0 6.0 102 78 B 22 PHE HD% A 13 LEU HDx% 1.0 3.0 6.4 103 79 B 22 PHE HD% A 13 LEU HDy% 1.0 3.0 6.4 104 80 A 13 LEU HDx% B 22 PHE HE% 1.0 3.0 6.4 105 81 A 13 LEU HDy% B 22 PHE HE% 1.0 3.0 6.4 106 82 B 24 ASN HA A 10 ILE HD1% 1.0 1.0 6.0 107 83 A 10 ILE HG2% B 24 ASN HA 1.0 1.0 4.4 108 84 A 10 ILE HD1% B 26 HIS HA 1.0 1.0 4.4 109 85 B 26 HIS HBx B 27 LEU HBy 1.0 2.0 7.0 110 85 B 26 HIS HBx B 27 LEU HBx 1.0 2.0 7.0 111 86 B 26 HIS HBy B 27 LEU HBy 1.0 2.0 7.0 112 86 B 27 LEU HBx B 26 HIS HBy 1.0 2.0 7.0 113 87 A 10 ILE HD1% B 26 HIS HD2 1.0 1.0 6.0 114 88 B 27 LEU HA B 31 ASP HBx 1.0 1.0 4.4 115 89 B 27 LEU HA B 31 ASP HBy 1.0 1.0 4.4 116 90 B 28 CYS HA A 7 CYS HBx 1.0 1.0 4.4 117 90 A 7 CYS HBy B 28 CYS HA 1.0 1.0 4.4 118 91 B 27 LEU HDy% B 28 CYS HA 1.0 1.5 6.5 119 92 B 28 CYS HA B 32 LEU HBy 1.0 1.0 6.0 120 92 B 28 CYS HA B 32 LEU HBx 1.0 1.0 6.0 121 93 B 32 LEU HD11 B 28 CYS HA 1.0 1.0 4.4 122 94 B 32 LEU HDy% B 28 CYS HA 1.0 1.0 5.3 123 95 B 27 LEU HA B 28 CYS H 1.0 0.0 5.0 124 96 B 30 SER HA B 33 VAL HB 1.0 0.0 5.0 125 97 B 30 SER HA B 33 VAL HGx% 1.0 1.0 4.4 126 98 B 30 SER HA B 33 VAL HGy% 1.0 1.0 6.0 127 99 B 27 LEU HDy% B 31 ASP HA 1.0 2.0 7.0 128 100 B 31 ASP HA B 34 GLU HBy 1.0 1.0 3.7 129 101 B 31 ASP HA B 34 GLU HBx 1.0 1.0 3.7 130 102 B 27 LEU HDx% B 31 ASP HBx 1.0 2.0 6.3 131 103 B 27 LEU HDy% B 31 ASP HBx 1.0 2.0 5.4 132 104 B 27 LEU HDx% B 31 ASP HBy 1.0 2.0 6.3 133 105 B 27 LEU HDy% B 31 ASP HBy 1.0 2.0 5.4 134 106 B 32 LEU HA B 27 LEU HBy 1.0 1.0 6.0 135 106 B 27 LEU HBx B 32 LEU HA 1.0 1.0 6.0 136 107 B 27 LEU HDx% B 32 LEU HA 1.0 1.6 5.0 137 108 B 27 LEU HDy% B 32 LEU HA 1.0 1.0 4.4 138 109 B 32 LEU HA B 35 ALA HB% 1.0 1.0 4.4 139 110 B 32 LEU HA B 36 LEU HBy 1.0 1.0 6.0 140 111 B 27 LEU HDx% B 32 LEU HG 1.0 1.0 4.4 141 112 B 27 LEU HDy% B 32 LEU HG 1.0 1.0 4.4 142 113 B 36 LEU HDx% B 32 LEU HG 1.0 1.0 5.3 143 114 B 36 LEU HDy% B 32 LEU HG 1.0 1.0 6.0 144 115 B 36 LEU HDx% B 33 VAL HA 1.0 0.5 5.5 145 116 B 36 LEU HDy% B 33 VAL HA 1.0 1.6 5.0 146 117 B 33 VAL HA B 36 LEU HG 1.0 0.0 5.0 147 118 B 32 LEU HA B 33 VAL H 1.0 0.0 5.0 148 119 B 33 VAL H B 34 GLU H 1.0 0.4 3.4 149 120 B 34 GLU HA B 37 TYR HBx 1.0 1.0 3.7 150 120 B 34 GLU HA B 37 TYR HBy 1.0 1.0 3.7 151 121 B 31 ASP HA B 34 GLU H 1.0 0.0 5.0 152 122 B 33 VAL HA B 34 GLU H 1.0 0.0 5.0 153 123 B 33 VAL HB B 34 GLU H 1.0 2.0 5.0 154 124 B 33 VAL HGx% B 34 GLU H 1.0 1.6 5.0 155 125 B 33 VAL HGy% B 34 GLU H 1.0 1.0 4.4 156 126 B 35 ALA HB% B 34 GLU H 1.0 1.0 6.0 157 127 B 34 GLU H B 35 ALA H 1.0 0.4 3.4 158 128 B 35 ALA HA B 38 LEU HBx 1.0 1.0 4.4 159 129 B 35 ALA HA B 38 LEU HBy 1.0 1.0 4.4 160 130 B 34 GLU HBy B 35 ALA H 1.0 1.0 3.7 161 131 B 34 GLU HBx B 35 ALA H 1.0 1.0 3.7 162 132 B 36 LEU HDy% B 35 ALA H 1.0 1.0 6.0 163 133 B 35 ALA H B 38 LEU H 1.0 0.0 5.0 164 134 B 36 LEU HA B 39 VAL HB 1.0 0.0 5.0 165 135 B 39 VAL HGx% B 36 LEU HA 1.0 1.0 4.4 166 136 B 39 VAL HGy% B 36 LEU HA 1.0 1.0 4.4 167 137 B 33 VAL HA B 36 LEU H 1.0 0.0 5.0 168 138 B 35 ALA HA B 36 LEU H 1.0 0.0 5.0 169 139 B 35 ALA HB% B 36 LEU H 1.0 1.0 3.7 170 140 B 35 ALA H B 36 LEU H 1.0 0.4 3.4 171 141 B 36 LEU H B 37 TYR H 1.0 0.4 3.4 172 142 B 39 VAL HGx% B 36 LEU H 1.0 1.0 6.0 173 143 B 39 VAL HGy% B 36 LEU H 1.0 1.0 6.0 174 144 B 40 CYS HBx B 37 TYR HA 1.0 1.0 6.0 175 145 B 40 CYS HBy B 37 TYR HA 1.0 1.0 6.0 176 146 B 34 GLU HA B 37 TYR HD% 1.0 2.0 4.7 177 147 B 37 TYR HD% B 38 LEU HD21 1.0 1.0 6.0 178 148 B 34 GLU HA B 37 TYR H 1.0 0.4 3.4 179 149 B 36 LEU HA B 37 TYR H 1.0 0.4 3.4 180 150 B 37 TYR H B 36 LEU HBx 1.0 1.0 6.0 181 151 B 36 LEU HBy B 37 TYR H 1.0 1.0 6.0 182 152 B 37 TYR H B 38 LEU HD21 1.0 1.0 6.0 183 153 B 38 LEU H B 37 TYR H 1.0 0.4 3.4 184 154 B 38 LEU H B 37 TYR HA 1.0 0.0 5.0 185 155 B 38 LEU H B 37 TYR HBx 1.0 1.0 3.7 186 155 B 37 TYR HBy B 38 LEU H 1.0 1.0 3.7 187 156 B 38 LEU H B 39 VAL H 1.0 0.0 5.0 188 157 B 36 LEU HA B 39 VAL H 1.0 0.0 5.0 189 158 B 39 VAL H B 38 LEU HA 1.0 0.0 5.0 190 159 B 39 VAL H B 40 CYS H 1.0 0.4 3.4 191 160 A 20 CYS HBx B 40 CYS HA 1.0 1.0 6.0 192 161 A 20 CYS HBy B 40 CYS HA 1.0 1.0 6.0 193 162 B 39 VAL HGy% B 40 CYS HA 1.0 1.0 4.4 194 163 B 40 CYS HA B 43 ARG HBx 1.0 1.0 6.0 195 164 B 40 CYS HA B 43 ARG HBy 1.0 1.0 6.0 196 165 B 40 CYS HA B 43 ARG HDx 1.0 1.0 6.0 197 165 B 40 CYS HA B 43 ARG HDy 1.0 1.0 6.0 198 166 B 40 CYS HA B 43 ARG HGy 1.0 1.0 6.0 199 166 B 40 CYS HA B 43 ARG HGx 1.0 1.0 6.0 200 167 B 39 VAL HB B 40 CYS H 1.0 0.0 5.0 201 168 B 39 VAL HGy% B 40 CYS H 1.0 1.0 4.4 202 169 B 40 CYS H B 41 GLY HAy 1.0 1.0 6.0 203 169 B 40 CYS H B 41 GLY HAx 1.0 1.0 6.0 204 170 B 40 CYS H B 41 GLY H 1.0 0.0 5.0 205 171 B 51 THR H B 50 PRO HA 1.0 0.4 2.7 206 172 B 51 THR H B 50 PRO HGx 1.0 0.0 5.0 207 173 A 2 ILE H A 1 GLY HAx 1.0 1.0 3.7 208 173 A 2 ILE H A 1 GLY HAy 1.0 1.0 3.7 209 174 A 3 VAL H A 2 ILE H 1.0 0.4 2.7 210 175 A 3 VAL H A 2 ILE HD1% 1.0 1.0 6.0 211 176 A 4 GLU HA A 8 THR HB 1.0 0.0 5.0 212 177 A 3 VAL HGx% A 4 GLU HGy 1.0 2.0 5.4 213 177 A 3 VAL HGx% A 4 GLU HGx 1.0 2.0 5.4 214 178 A 3 VAL HGy% A 4 GLU HGy 1.0 2.0 5.4 215 178 A 3 VAL HGy% A 4 GLU HGx 1.0 2.0 5.4 216 179 A 3 VAL HA A 4 GLU H 1.0 0.4 3.4 217 180 A 4 GLU H A 3 VAL HB 1.0 1.3 4.3 218 181 A 3 VAL H A 4 GLU H 1.0 0.4 3.4 219 182 A 4 GLU H A 5 GLN H 1.0 0.0 5.0 220 183 A 4 GLU HA A 5 GLN H 1.0 0.4 3.4 221 184 A 5 GLN H A 4 GLU HBx 1.0 1.0 6.0 222 184 A 5 GLN H A 4 GLU HBy 1.0 1.0 6.0 223 185 A 5 GLN H A 4 GLU HGy 1.0 1.0 6.0 224 185 A 4 GLU HGx A 5 GLN H 1.0 1.0 6.0 225 186 A 6 CYS H A 5 GLN HA 1.0 2.0 5.0 226 187 A 6 CYS H A 5 GLN HBx 1.0 1.0 4.4 227 187 A 5 GLN HBy A 6 CYS H 1.0 1.0 4.4 228 188 A 3 VAL HA A 7 CYS H 1.0 0.0 5.0 229 189 A 6 CYS HBx A 7 CYS H 1.0 1.0 6.0 230 190 A 8 THR HG2% A 7 CYS H 1.0 1.0 6.0 231 191 A 7 CYS H A 8 THR H 1.0 0.4 3.4 232 192 A 4 GLU HA A 8 THR H 1.0 0.0 5.0 233 193 A 7 CYS HA A 8 THR H 1.0 0.0 5.0 234 194 A 10 ILE H A 9 SER HA 1.0 0.4 3.4 235 195 A 12 SER H A 11 CYS HA 1.0 0.4 2.7 236 196 A 12 SER H A 11 CYS HBy 1.0 1.0 6.0 237 196 A 11 CYS HBx A 12 SER H 1.0 1.0 6.0 238 197 A 15 GLN HBx A 12 SER H 1.0 1.0 4.4 239 198 A 15 GLN HBy A 12 SER H 1.0 1.0 4.4 240 199 A 12 SER H A 15 GLN HGx 1.0 1.0 6.0 241 199 A 15 GLN HGy A 12 SER H 1.0 1.0 6.0 242 200 A 12 SER HA A 13 LEU H 1.0 0.4 3.4 243 201 A 13 LEU H A 12 SER HBy 1.0 1.0 4.4 244 202 A 13 LEU H A 12 SER HBx 1.0 1.0 4.4 245 203 A 13 LEU H A 14 TYR H 1.0 0.4 3.4 246 204 A 13 LEU HA A 14 TYR H 1.0 0.0 5.0 247 205 A 14 TYR H A 13 LEU HBx 1.0 1.0 3.7 248 205 A 13 LEU HBy A 14 TYR H 1.0 1.0 3.7 249 206 A 13 LEU HDx% A 14 TYR H 1.0 1.0 6.0 250 207 A 13 LEU HDy% A 14 TYR H 1.0 1.0 6.0 251 208 A 12 SER HA A 15 GLN H 1.0 0.0 5.0 252 209 A 15 GLN H A 12 SER HBy 1.0 1.0 4.4 253 210 A 15 GLN H A 12 SER HBx 1.0 1.0 4.4 254 211 A 14 TYR HA A 15 GLN H 1.0 0.3 3.7 255 212 B 36 LEU HDx% A 16 LEU HA 1.0 1.0 4.4 256 213 A 16 LEU HA B 36 LEU HDy% 1.0 1.0 6.0 257 214 A 13 LEU HA A 16 LEU H 1.0 0.4 3.4 258 215 A 16 LEU H A 13 LEU HBx 1.0 1.0 6.0 259 215 A 13 LEU HBy A 16 LEU H 1.0 1.0 6.0 260 216 A 13 LEU HA A 17 GLU H 1.0 0.0 5.0 261 217 A 16 LEU HBy A 17 GLU H 1.0 1.0 4.4 262 218 A 16 LEU HBx A 17 GLU H 1.0 1.0 4.4 263 219 A 16 LEU HG A 17 GLU H 1.0 0.0 5.0 264 220 A 17 GLU H A 18 ASN H 1.0 0.4 2.7 265 221 A 14 TYR HA A 18 ASN H 1.0 0.0 5.0 266 222 A 15 GLN HA A 18 ASN H 1.0 0.4 3.4 267 223 A 17 GLU HBy A 18 ASN H 1.0 1.0 4.4 268 224 A 17 GLU HBx A 18 ASN H 1.0 1.0 4.4 269 225 A 19 TYR H A 18 ASN H 1.0 0.4 2.7 270 226 A 2 ILE HG2% A 19 TYR HBx 1.0 2.0 7.0 271 227 A 16 LEU HG A 19 TYR HBx 1.0 1.0 6.0 272 228 A 19 TYR HBx B 36 LEU HDy% 1.0 2.0 5.4 273 229 A 2 ILE HG2% A 19 TYR HBy 1.0 2.0 7.0 274 230 A 16 LEU HG A 19 TYR HBy 1.0 1.0 6.0 275 231 A 19 TYR HBy B 36 LEU HDy% 1.0 2.0 5.4 276 232 A 2 ILE HG2% A 19 TYR HD% 1.0 3.0 6.4 277 233 A 16 LEU HD11 A 19 TYR HD% 1.0 3.0 6.4 278 234 A 16 LEU HD21 A 19 TYR HD% 1.0 3.0 6.4 279 235 A 16 LEU HA A 19 TYR HE% 1.0 2.0 7.0 280 236 A 19 TYR HE% B 36 LEU HA 1.0 2.0 7.0 281 237 A 16 LEU HA A 19 TYR H 1.0 0.3 3.0 282 238 A 20 CYS H A 21 ASN H 1.0 0.4 3.4 283 239 B 23 VAL HGx% B 22 PHE HA 1.0 1.0 6.0 284 240 B 23 VAL HG21 B 22 PHE HA 1.0 1.0 6.5 285 241 A 13 LEU HDx% B 22 PHE HBx 1.0 2.0 7.0 286 241 A 13 LEU HDx% B 22 PHE HBy 1.0 2.0 7.0 287 242 A 13 LEU HDy% B 22 PHE HBx 1.0 2.0 7.0 288 242 A 13 LEU HDy% B 22 PHE HBy 1.0 2.0 7.0 289 243 B 22 PHE HE% B 23 VAL H 1.0 2.0 7.0 290 244 B 22 PHE HA B 23 VAL H 1.0 0.4 3.4 291 245 B 23 VAL H B 22 PHE HBx 1.0 1.0 4.4 292 245 B 22 PHE HBy B 23 VAL H 1.0 1.0 4.4 293 246 B 23 VAL H B 24 ASN H 1.0 0.0 5.0 294 247 A 10 ILE HG2% B 24 ASN HBx 1.0 2.0 7.0 295 247 A 10 ILE HG2% B 24 ASN HBy 1.0 2.0 7.0 296 248 B 23 VAL HGx% B 24 ASN HBx 1.0 2.0 7.0 297 248 B 23 VAL HGx% B 24 ASN HBy 1.0 2.0 7.0 298 249 B 23 VAL HG21 B 24 ASN HBx 1.0 2.0 7.0 299 249 B 23 VAL HG21 B 24 ASN HBy 1.0 2.0 7.0 300 250 B 24 ASN H B 23 VAL HA 1.0 0.4 2.7 301 251 B 24 ASN H B 23 VAL HB 1.0 0.4 3.4 302 252 B 23 VAL HGx% B 24 ASN H 1.0 1.0 3.7 303 253 B 23 VAL HG21 B 24 ASN H 1.0 1.0 4.4 304 254 A 10 ILE HD1% B 25 GLN HA 1.0 1.0 6.0 305 255 A 10 ILE HD1% B 25 GLN HBy 1.0 2.0 7.0 306 255 A 10 ILE HD1% B 25 GLN HBx 1.0 2.0 7.0 307 256 A 10 ILE HD1% B 25 GLN H 1.0 1.0 6.0 308 257 A 10 ILE HG2% B 25 GLN H 1.0 1.0 4.4 309 258 B 24 ASN HA B 25 GLN H 1.0 0.4 3.4 310 259 B 25 GLN H B 24 ASN HBx 1.0 1.0 4.4 311 259 B 24 ASN HBy B 25 GLN H 1.0 1.0 4.4 312 260 A 10 ILE HD1% B 26 HIS HE1 1.0 1.0 3.7 313 261 A 10 ILE HG2% B 26 HIS HE1 1.0 1.0 6.0 314 262 A 10 ILE HD1% B 26 HIS H 1.0 1.0 6.0 315 263 A 10 ILE HG2% B 26 HIS H 1.0 1.5 6.5 316 264 B 25 GLN HA B 26 HIS H 1.0 0.4 2.7 317 265 B 26 HIS H B 25 GLN HBy 1.0 0.3 3.7 318 265 B 25 GLN HBx B 26 HIS H 1.0 0.3 3.7 319 266 B 26 HIS H B 25 GLN HGx 1.0 1.0 3.7 320 266 B 26 HIS H B 25 GLN HGy 1.0 1.0 3.7 321 267 A 7 CYS HA B 27 LEU H 1.0 0.0 5.0 322 268 B 26 HIS HA B 27 LEU H 1.0 0.0 5.0 323 269 B 31 ASP HBx B 28 CYS H 1.0 1.6 5.0 324 270 B 31 ASP HBy B 28 CYS H 1.0 1.0 4.4 325 271 B 28 CYS HA B 29 GLY H 1.0 0.0 5.0 326 272 B 30 SER H B 29 GLY HAx 1.0 1.0 6.0 327 272 B 30 SER H B 29 GLY HAy 1.0 1.0 6.0 328 273 B 30 SER HA B 31 ASP H 1.0 1.3 4.3 329 274 B 34 GLU HBy B 31 ASP H 1.0 1.0 6.0 330 275 B 34 GLU HBx B 31 ASP H 1.0 1.0 5.3 331 276 B 33 VAL HA B 36 LEU HBx 1.0 1.0 6.0 332 277 B 36 LEU HBy B 33 VAL HA 1.0 1.0 6.0 333 278 B 30 SER HA B 33 VAL H 1.0 0.0 5.0 334 279 B 33 VAL H B 30 SER HBx 1.0 1.0 6.0 335 279 B 33 VAL H B 30 SER HBy 1.0 1.0 6.0 336 280 B 35 ALA HA B 38 LEU HDx% 1.0 1.0 3.7 337 281 B 35 ALA HA B 38 LEU HD21 1.0 1.0 3.7 338 282 B 36 LEU HDy% B 35 ALA HB% 1.0 2.0 6.3 339 283 B 35 ALA HB% B 38 LEU HDx% 1.0 2.0 5.4 340 284 B 35 ALA HB% B 38 LEU HD21 1.0 2.0 6.3 341 285 B 32 LEU HA B 35 ALA H 1.0 0.4 3.4 342 286 B 34 GLU HA B 35 ALA H 1.0 1.3 4.3 343 287 B 35 ALA H B 34 GLU HGy 1.0 1.6 5.0 344 287 B 35 ALA H B 34 GLU HGx 1.0 1.6 5.0 345 288 B 35 ALA H B 38 LEU HD21 1.0 1.0 5.3 346 289 B 33 VAL HGx% B 37 TYR HBx 1.0 2.0 7.0 347 289 B 33 VAL HGx% B 37 TYR HBy 1.0 2.0 7.0 348 290 B 33 VAL HGy% B 37 TYR HBx 1.0 2.0 7.0 349 290 B 33 VAL HGy% B 37 TYR HBy 1.0 2.0 7.0 350 291 B 39 VAL HGx% B 37 TYR H 1.0 1.0 6.0 351 292 B 39 VAL HGy% B 37 TYR H 1.0 1.0 6.0 352 293 B 35 ALA HA B 38 LEU H 1.0 0.4 3.4 353 294 B 38 LEU HBx B 39 VAL H 1.0 1.0 4.4 354 295 B 38 LEU HBy B 39 VAL H 1.0 1.0 4.4 355 296 B 39 VAL H B 38 LEU HDx% 1.0 1.0 5.3 356 297 B 38 LEU HD21 B 39 VAL H 1.0 1.9 5.3 357 298 B 39 VAL H B 38 LEU HG 1.0 0.4 3.4 358 299 B 37 TYR HA B 40 CYS H 1.0 0.0 5.0 359 300 B 40 CYS H B 39 VAL HA 1.0 1.3 4.3 360 301 B 38 LEU HA B 41 GLY H 1.0 0.4 3.4 361 302 B 40 CYS HA B 41 GLY H 1.0 0.4 3.4 362 303 B 40 CYS HBx B 41 GLY H 1.0 1.0 4.4 363 304 B 40 CYS HBy B 41 GLY H 1.0 1.0 4.4 364 305 B 41 GLY H B 42 GLU H 1.0 0.4 3.4 365 306 B 42 GLU HA B 41 GLY HAy 1.0 1.0 6.0 366 306 B 41 GLY HAx B 42 GLU HA 1.0 1.0 6.0 367 307 B 42 GLU HA B 43 ARG H 1.0 0.4 3.4 368 308 B 43 ARG H B 42 GLU HBx 1.0 1.0 4.4 369 308 B 43 ARG H B 42 GLU HBy 1.0 1.0 4.4 370 309 B 43 ARG H B 42 GLU HGy 1.0 1.0 4.4 371 309 B 43 ARG H B 42 GLU HGx 1.0 1.0 4.4 372 310 B 42 GLU H B 43 ARG H 1.0 0.4 3.4 373 311 B 44 GLY H B 43 ARG HA 1.0 0.4 2.7 374 312 B 43 ARG HBx B 44 GLY H 1.0 1.0 4.4 375 313 B 43 ARG HBy B 44 GLY H 1.0 1.0 4.4 376 314 B 45 GLY H B 44 GLY HAx 1.0 1.0 4.4 377 314 B 45 GLY H B 44 GLY HAy 1.0 1.0 4.4 378 315 B 46 PHE H B 45 GLY HAx 1.0 1.0 3.7 379 315 B 46 PHE H B 45 GLY HAy 1.0 1.0 3.7 380 316 B 33 VAL HGx% B 47 TYR HE% 1.0 3.0 8.0 381 317 B 33 VAL HGy% B 47 TYR HE% 1.0 3.0 8.0 382 318 B 33 VAL HGx% B 47 TYR HD% 1.0 3.0 8.0 383 319 B 33 VAL HGy% B 47 TYR HD% 1.0 3.0 8.0 384 320 B 36 LEU HDx% B 47 TYR HD% 1.0 3.0 8.0 385 321 B 47 TYR H B 46 PHE HA 1.0 0.7 3.7 386 322 B 47 TYR H B 46 PHE HBy 1.0 1.0 4.4 387 323 B 47 TYR H B 46 PHE HBx 1.0 1.0 4.4 388 324 B 47 TYR H B 46 PHE HD% 1.0 2.0 7.0 389 325 B 47 TYR H B 48 THR H 1.0 0.7 3.7 390 326 B 48 THR H B 47 TYR HA 1.0 0.0 3.4 391 327 B 48 THR H B 47 TYR HBx 1.0 1.6 5.0 392 328 B 48 THR H B 47 TYR HBy 1.0 1.3 4.7 393 329 B 47 TYR HD% B 48 THR H 1.0 2.0 7.0 394 330 B 48 THR H B 49 LYS H 1.0 0.4 2.7 395 331 B 49 LYS HA B 50 PRO HDx 1.0 1.0 4.4 396 331 B 49 LYS HA B 50 PRO HDy 1.0 1.0 4.4 397 332 B 49 LYS H B 48 THR HA 1.0 0.4 3.4 398 333 B 49 LYS H B 48 THR HB 1.0 0.4 3.4 399 334 B 49 LYS H B 48 THR HG2% 1.0 1.0 4.4 400 335 B 49 LYS H B 50 PRO HBy 1.0 1.0 6.0 401 335 B 49 LYS H B 50 PRO HBx 1.0 1.0 6.0 402 336 B 51 THR H B 50 PRO HBy 1.0 1.0 4.4 403 336 B 51 THR H B 50 PRO HBx 1.0 1.0 4.4 404 337 A 3 VAL HA A 3 VAL HGx% 1.0 0.0 4.3 405 338 A 3 VAL HA A 3 VAL HGy% 1.0 0.0 4.3 406 339 A 3 VAL H A 3 VAL HGx% 1.0 0.0 5.0 407 340 A 3 VAL H A 3 VAL HGy% 1.0 0.0 4.3 408 341 A 6 CYS HA A 6 CYS HBx 1.0 0.0 3.4 409 342 A 6 CYS HA A 6 CYS HBy 1.0 0.4 3.4 410 343 A 6 CYS HBx A 6 CYS H 1.0 1.3 4.3 411 344 A 6 CYS HBy A 6 CYS H 1.0 0.0 4.3 412 345 A 12 SER HA A 12 SER HBy 1.0 0.0 2.7 413 346 A 12 SER HA A 12 SER HBx 1.0 0.0 2.7 414 347 A 12 SER H A 12 SER HBy 1.0 0.0 4.3 415 348 A 12 SER H A 12 SER HBx 1.0 0.0 4.3 416 349 A 15 GLN HBx A 15 GLN HA 1.0 0.0 3.4 417 350 A 15 GLN HBy A 15 GLN HA 1.0 0.0 3.4 418 351 A 15 GLN HBx A 15 GLN H 1.0 0.3 3.7 419 352 A 15 GLN HBy A 15 GLN H 1.0 0.0 4.3 420 353 A 16 LEU HBy A 16 LEU HA 1.0 0.0 3.4 421 354 A 16 LEU HBx A 16 LEU HA 1.0 0.0 3.4 422 355 A 16 LEU HBy A 16 LEU H 1.0 0.3 3.7 423 356 A 16 LEU HBx A 16 LEU H 1.0 0.0 4.3 424 357 A 17 GLU HBy A 17 GLU HA 1.0 0.0 3.4 425 358 A 17 GLU HBx A 17 GLU HA 1.0 0.7 3.4 426 359 A 17 GLU HBy A 17 GLU H 1.0 0.0 3.4 427 360 A 17 GLU HBx A 17 GLU H 1.0 0.0 4.3 428 361 A 19 TYR HA A 19 TYR HBx 1.0 0.0 3.4 429 362 A 19 TYR HA A 19 TYR HBy 1.0 0.0 3.4 430 363 A 19 TYR HBx A 19 TYR H 1.0 0.9 4.3 431 364 A 19 TYR HBy A 19 TYR H 1.0 0.0 4.3 432 365 A 20 CYS HA A 20 CYS HBx 1.0 0.0 3.4 433 366 A 20 CYS HA A 20 CYS HBy 1.0 0.0 3.4 434 367 A 20 CYS H A 20 CYS HBx 1.0 0.3 3.7 435 368 A 20 CYS H A 20 CYS HBy 1.0 0.0 4.3 436 369 B 26 HIS HBx B 26 HIS HA 1.0 0.0 3.4 437 370 B 26 HIS HA B 26 HIS HBy 1.0 0.0 3.4 438 371 B 26 HIS HBx B 26 HIS H 1.0 0.0 3.4 439 372 B 26 HIS HBy B 26 HIS H 1.0 0.0 4.3 440 373 B 28 CYS HA B 28 CYS HBx 1.0 0.9 3.4 441 374 B 28 CYS HA B 28 CYS HBy 1.0 0.9 3.4 442 375 B 28 CYS H B 28 CYS HBx 1.0 1.8 4.3 443 376 B 28 CYS H B 28 CYS HBy 1.0 1.8 4.3 444 377 B 31 ASP HBx B 31 ASP HA 1.0 0.0 3.4 445 378 B 31 ASP HBy B 31 ASP HA 1.0 0.0 3.4 446 379 B 31 ASP HBx B 31 ASP H 1.0 0.9 4.3 447 380 B 31 ASP HBy B 31 ASP H 1.0 0.0 4.3 448 381 B 33 VAL HGx% B 33 VAL HA 1.0 0.0 4.3 449 382 B 33 VAL HGy% B 33 VAL HA 1.0 0.0 4.3 450 383 B 33 VAL HGx% B 33 VAL H 1.0 0.0 4.3 451 384 B 33 VAL HGy% B 33 VAL H 1.0 0.0 5.0 452 385 B 34 GLU HBy B 34 GLU HA 1.0 0.0 3.4 453 386 B 34 GLU HBx B 34 GLU HA 1.0 0.0 3.4 454 387 B 34 GLU HBy B 34 GLU H 1.0 0.0 3.4 455 388 B 34 GLU HBx B 34 GLU H 1.0 0.0 4.3 456 389 B 36 LEU HA B 36 LEU HBx 1.0 0.0 3.4 457 390 B 36 LEU HBy B 36 LEU HA 1.0 0.0 3.4 458 391 B 36 LEU H B 36 LEU HBx 1.0 0.3 3.7 459 392 B 36 LEU HBy B 36 LEU H 1.0 0.0 4.3 460 393 B 36 LEU HDx% B 36 LEU HA 1.0 0.0 5.0 461 394 B 36 LEU HDy% B 36 LEU HA 1.0 0.0 4.3 462 395 B 38 LEU HBx B 38 LEU HA 1.0 0.0 3.4 463 396 B 38 LEU HBy B 38 LEU HA 1.0 0.0 3.4 464 397 B 38 LEU HBx B 38 LEU H 1.0 0.9 4.3 465 398 B 38 LEU HBy B 38 LEU H 1.0 0.0 4.3 466 399 B 39 VAL HGx% B 39 VAL HA 1.0 0.0 4.3 467 400 B 39 VAL HGy% B 39 VAL HA 1.0 0.0 4.3 468 401 B 39 VAL HGx% B 39 VAL H 1.0 0.0 5.0 469 402 B 39 VAL HGy% B 39 VAL H 1.0 0.0 4.3 470 403 B 40 CYS HBx B 40 CYS HA 1.0 0.0 3.4 471 404 B 40 CYS HBy B 40 CYS HA 1.0 0.0 3.4 472 405 B 40 CYS HBx B 40 CYS H 1.0 0.3 3.7 473 406 B 40 CYS HBy B 40 CYS H 1.0 0.0 4.3 474 407 B 43 ARG HBx B 43 ARG HA 1.0 0.0 3.4 475 408 B 43 ARG HBy B 43 ARG HA 1.0 0.0 2.7 476 409 B 43 ARG HBx B 43 ARG H 1.0 0.0 2.7 477 410 B 43 ARG HBy B 43 ARG H 1.0 0.0 4.3 478 411 B 46 PHE HA B 46 PHE HBy 1.0 0.0 3.4 479 412 B 46 PHE HA B 46 PHE HBx 1.0 0.0 2.7 480 413 B 46 PHE H B 46 PHE HBy 1.0 0.7 3.4 481 414 B 46 PHE H B 46 PHE HBx 1.0 0.0 4.3 482 415 B 47 TYR HA B 47 TYR HBx 1.0 0.0 3.4 483 416 B 47 TYR HA B 47 TYR HBy 1.0 0.0 2.7 484 417 B 47 TYR H B 47 TYR HBx 1.0 0.0 3.4 485 418 B 47 TYR H B 47 TYR HBy 1.0 0.0 4.3 486 419 A 2 ILE HA A 2 ILE HB 1.0 0.0 5.0 487 420 A 2 ILE HA A 2 ILE HD1% 1.0 1.0 4.4 488 421 A 2 ILE HA A 2 ILE HG1y 1.0 1.0 6.0 489 421 A 2 ILE HA A 2 ILE HG1x 1.0 1.0 6.0 490 422 A 2 ILE HA A 2 ILE HG2% 1.0 1.0 4.4 491 423 A 3 VAL HA A 3 VAL HB 1.0 0.0 2.7 492 424 A 3 VAL HA A 3 VAL H 1.0 0.0 3.4 493 425 A 3 VAL H A 3 VAL HB 1.0 0.3 3.7 494 426 A 4 GLU HA A 4 GLU HBx 1.0 1.0 4.4 495 426 A 4 GLU HA A 4 GLU HBy 1.0 1.0 4.4 496 427 A 4 GLU HA A 4 GLU HGy 1.0 1.0 4.4 497 427 A 4 GLU HA A 4 GLU HGx 1.0 1.0 4.4 498 428 A 7 CYS HA A 7 CYS HBx 1.0 1.0 3.7 499 428 A 7 CYS HBy A 7 CYS HA 1.0 1.0 3.7 500 429 A 8 THR HB A 8 THR HA 1.0 0.0 3.4 501 430 A 8 THR HG2% A 8 THR HA 1.0 1.0 4.4 502 431 A 8 THR HG2% A 8 THR HB 1.0 1.0 3.7 503 432 A 9 SER HA A 9 SER HBx 1.0 1.0 4.4 504 432 A 9 SER HA A 9 SER HBy 1.0 1.0 4.4 505 433 A 10 ILE HA A 10 ILE HB 1.0 0.0 3.4 506 434 A 10 ILE HD1% A 10 ILE HA 1.0 1.0 4.4 507 435 A 10 ILE HA A 10 ILE HG1y 1.0 1.0 4.4 508 435 A 10 ILE HA A 10 ILE HG1x 1.0 1.0 4.4 509 436 A 10 ILE HG2% A 10 ILE HA 1.0 1.0 4.4 510 437 A 10 ILE H A 10 ILE HA 1.0 0.0 3.4 511 438 A 10 ILE H A 10 ILE HB 1.0 0.0 5.0 512 439 A 10 ILE HD1% A 10 ILE H 1.0 1.0 6.0 513 440 A 10 ILE HG2% A 10 ILE H 1.0 1.0 6.0 514 441 A 11 CYS HA A 11 CYS HBy 1.0 1.0 3.7 515 441 A 11 CYS HBx A 11 CYS HA 1.0 1.0 3.7 516 442 A 13 LEU HA A 13 LEU HBx 1.0 1.0 3.7 517 442 A 13 LEU HBy A 13 LEU HA 1.0 1.0 3.7 518 443 A 13 LEU HA A 13 LEU HDx% 1.0 1.0 4.4 519 444 A 13 LEU HA A 13 LEU HDy% 1.0 1.0 4.4 520 445 A 13 LEU HA A 13 LEU HG 1.0 0.0 5.0 521 446 A 14 TYR HA A 14 TYR HBx 1.0 1.0 3.7 522 446 A 14 TYR HA A 14 TYR HBy 1.0 1.0 3.7 523 447 A 14 TYR HA A 14 TYR HD% 1.0 2.0 5.4 524 448 A 14 TYR HD% A 14 TYR HBx 1.0 3.0 5.7 525 448 A 14 TYR HBy A 14 TYR HD% 1.0 3.0 5.7 526 449 A 14 TYR HA A 14 TYR H 1.0 0.0 5.0 527 450 A 14 TYR H A 14 TYR HBx 1.0 1.0 6.0 528 450 A 14 TYR HBy A 14 TYR H 1.0 1.0 6.0 529 451 A 15 GLN HA A 15 GLN HGx 1.0 1.0 4.4 530 451 A 15 GLN HGy A 15 GLN HA 1.0 1.0 4.4 531 452 A 15 GLN HA A 15 GLN H 1.0 0.0 5.0 532 453 A 15 GLN H A 15 GLN HGx 1.0 1.0 6.0 533 453 A 15 GLN HGy A 15 GLN H 1.0 1.0 6.0 534 454 A 16 LEU HD11 A 16 LEU HA 1.0 1.0 3.7 535 455 A 16 LEU HD21 A 16 LEU HA 1.0 1.0 5.3 536 456 A 16 LEU HG A 16 LEU HA 1.0 0.3 3.7 537 457 A 16 LEU H A 16 LEU HA 1.0 0.0 3.4 538 458 A 16 LEU H A 16 LEU HD11 1.0 1.0 4.4 539 459 A 16 LEU H A 16 LEU HD21 1.0 1.0 5.3 540 460 A 16 LEU HG A 16 LEU H 1.0 0.3 3.7 541 461 A 17 GLU HA A 17 GLU HGx 1.0 1.0 6.0 542 461 A 17 GLU HGy A 17 GLU HA 1.0 1.0 6.0 543 462 A 17 GLU H A 17 GLU HA 1.0 0.0 3.4 544 463 A 17 GLU H A 17 GLU HGx 1.0 1.0 6.0 545 463 A 17 GLU HGy A 17 GLU H 1.0 1.0 6.0 546 464 A 18 ASN HA A 18 ASN HBx 1.0 1.0 3.7 547 464 A 18 ASN HBy A 18 ASN HA 1.0 1.0 3.7 548 465 A 18 ASN HA A 18 ASN H 1.0 0.0 3.4 549 466 A 18 ASN H A 18 ASN HBx 1.0 1.0 4.4 550 466 A 18 ASN HBy A 18 ASN H 1.0 1.0 4.4 551 467 A 19 TYR HA A 19 TYR HD% 1.0 2.0 5.4 552 468 A 19 TYR HBx A 19 TYR HD% 1.0 3.0 5.7 553 469 A 19 TYR HBy A 19 TYR HD% 1.0 3.0 5.7 554 470 A 19 TYR HA A 19 TYR H 1.0 0.0 3.4 555 471 A 20 CYS H A 20 CYS HA 1.0 0.0 5.0 556 472 A 21 ASN HA A 21 ASN HBy 1.0 1.0 4.4 557 472 A 21 ASN HA A 21 ASN HBx 1.0 1.0 4.4 558 473 A 21 ASN H A 21 ASN HA 1.0 0.0 3.4 559 474 A 21 ASN H A 21 ASN HBy 1.0 1.0 6.0 560 474 A 21 ASN H A 21 ASN HBx 1.0 1.0 6.0 561 475 B 22 PHE HA B 22 PHE HBx 1.0 1.0 3.7 562 475 B 22 PHE HA B 22 PHE HBy 1.0 1.0 3.7 563 476 B 22 PHE HE% B 22 PHE HA 1.0 2.0 6.3 564 477 B 22 PHE HE% B 22 PHE HBx 1.0 3.0 5.7 565 477 B 22 PHE HE% B 22 PHE HBy 1.0 3.0 5.7 566 478 B 23 VAL HA B 23 VAL HB 1.0 0.0 3.4 567 479 B 23 VAL HGx% B 23 VAL HA 1.0 1.0 4.4 568 480 B 23 VAL HG21 B 23 VAL HA 1.0 1.0 4.4 569 481 B 24 ASN HA B 24 ASN HBx 1.0 1.0 3.7 570 481 B 24 ASN HA B 24 ASN HBy 1.0 1.0 3.7 571 482 B 25 GLN HA B 25 GLN HBy 1.0 1.0 4.4 572 482 B 25 GLN HA B 25 GLN HBx 1.0 1.0 4.4 573 483 B 25 GLN HA B 25 GLN HGx 1.0 1.0 6.0 574 483 B 25 GLN HA B 25 GLN HGy 1.0 1.0 6.0 575 484 B 27 LEU HA B 27 LEU HBy 1.0 1.0 4.4 576 484 B 27 LEU HBx B 27 LEU HA 1.0 1.0 4.4 577 485 B 27 LEU HDx% B 27 LEU HA 1.0 1.0 5.3 578 486 B 27 LEU HDy% B 27 LEU HA 1.0 1.0 5.3 579 487 B 27 LEU HA B 27 LEU HG 1.0 0.3 3.7 580 488 B 27 LEU HA B 27 LEU H 1.0 0.0 3.4 581 489 B 28 CYS HA B 28 CYS H 1.0 0.9 3.4 582 490 B 30 SER HA B 30 SER HBx 1.0 1.0 4.4 583 490 B 30 SER HA B 30 SER HBy 1.0 1.0 4.4 584 491 B 31 ASP HA B 31 ASP H 1.0 0.0 3.4 585 492 B 32 LEU HA B 32 LEU HBy 1.0 1.0 4.4 586 492 B 32 LEU HBx B 32 LEU HA 1.0 1.0 4.4 587 493 B 32 LEU HD11 B 32 LEU HA 1.0 1.0 3.7 588 494 B 32 LEU HA B 32 LEU HG 1.0 0.0 3.4 589 495 B 33 VAL HB B 33 VAL HA 1.0 1.0 3.7 590 496 B 33 VAL HA B 33 VAL H 1.0 0.0 5.0 591 497 B 33 VAL HB B 33 VAL H 1.0 0.3 3.7 592 498 B 34 GLU HA B 34 GLU HGy 1.0 1.0 6.0 593 498 B 34 GLU HA B 34 GLU HGx 1.0 1.0 6.0 594 499 B 34 GLU H B 34 GLU HA 1.0 0.3 3.7 595 500 B 34 GLU H B 34 GLU HGy 1.0 1.0 6.0 596 500 B 34 GLU H B 34 GLU HGx 1.0 1.0 6.0 597 501 B 35 ALA HB% B 35 ALA HA 1.0 1.0 3.7 598 502 B 35 ALA H B 35 ALA HA 1.0 0.0 3.4 599 503 B 35 ALA HB% B 35 ALA H 1.0 1.0 3.7 600 504 B 36 LEU HG B 36 LEU HA 1.0 0.0 4.3 601 505 B 36 LEU HA B 36 LEU H 1.0 0.0 3.4 602 506 B 36 LEU HG B 36 LEU H 1.0 1.0 3.7 603 507 B 37 TYR HA B 37 TYR HBx 1.0 1.0 3.7 604 507 B 37 TYR HBy B 37 TYR HA 1.0 1.0 3.7 605 508 B 37 TYR HA B 37 TYR HD% 1.0 2.0 5.4 606 509 B 37 TYR HD% B 37 TYR HBx 1.0 3.0 5.7 607 509 B 37 TYR HBy B 37 TYR HD% 1.0 3.0 5.7 608 510 B 37 TYR H B 37 TYR HA 1.0 0.0 3.4 609 511 B 37 TYR H B 37 TYR HBx 1.0 1.0 3.7 610 511 B 37 TYR HBy B 37 TYR H 1.0 1.0 3.7 611 512 B 38 LEU HA B 38 LEU HDx% 1.0 1.0 5.3 612 513 B 38 LEU HD21 B 38 LEU HA 1.0 1.0 3.7 613 514 B 38 LEU HA B 38 LEU HG 1.0 0.0 3.4 614 515 B 38 LEU H B 38 LEU HA 1.0 0.0 3.4 615 516 B 38 LEU H B 38 LEU HDx% 1.0 1.0 6.0 616 517 B 38 LEU H B 38 LEU HD21 1.0 1.0 6.0 617 518 B 38 LEU H B 38 LEU HG 1.0 0.0 5.0 618 519 B 39 VAL HB B 39 VAL HA 1.0 0.0 2.7 619 520 B 39 VAL H B 39 VAL HA 1.0 0.0 3.4 620 521 B 39 VAL HB B 39 VAL H 1.0 0.3 3.7 621 522 B 40 CYS H B 40 CYS HA 1.0 0.0 3.4 622 523 B 41 GLY H B 41 GLY HAy 1.0 1.0 4.4 623 523 B 41 GLY HAx B 41 GLY H 1.0 1.0 4.4 624 524 B 42 GLU HA B 42 GLU HBx 1.0 1.0 4.4 625 524 B 42 GLU HA B 42 GLU HBy 1.0 1.0 4.4 626 525 B 42 GLU HA B 42 GLU HGy 1.0 1.0 4.4 627 525 B 42 GLU HA B 42 GLU HGx 1.0 1.0 4.4 628 526 B 43 ARG HA B 43 ARG HDx 1.0 1.0 5.3 629 526 B 43 ARG HDy B 43 ARG HA 1.0 1.0 5.3 630 527 B 43 ARG HA B 43 ARG HGy 1.0 1.0 4.4 631 527 B 43 ARG HGx B 43 ARG HA 1.0 1.0 4.4 632 528 B 43 ARG H B 43 ARG HA 1.0 0.0 3.4 633 529 B 45 GLY H B 45 GLY HAx 1.0 1.0 4.4 634 529 B 45 GLY H B 45 GLY HAy 1.0 1.0 4.4 635 530 B 46 PHE HBy B 46 PHE HD% 1.0 3.0 5.7 636 531 B 46 PHE HBx B 46 PHE HD% 1.0 3.0 5.7 637 532 B 46 PHE H B 46 PHE HA 1.0 0.0 5.0 638 533 B 47 TYR HD% B 47 TYR HBx 1.0 3.0 5.7 639 534 B 47 TYR HD% B 47 TYR HBy 1.0 3.0 5.7 640 535 B 48 THR HA B 48 THR HB 1.0 0.0 3.4 641 536 B 48 THR HA B 48 THR HG2% 1.0 1.0 3.7 642 537 B 48 THR HB B 48 THR HG2% 1.0 1.0 3.7 643 538 B 49 LYS HA B 49 LYS HBy 1.0 1.0 4.4 644 538 B 49 LYS HA B 49 LYS HBx 1.0 1.0 4.4 645 539 B 49 LYS HA B 49 LYS HDx 1.0 1.0 4.4 646 539 B 49 LYS HA B 49 LYS HDy 1.0 1.0 4.4 647 540 B 49 LYS HA B 49 LYS HGx 1.0 1.0 4.4 648 540 B 49 LYS HA B 49 LYS HGy 1.0 1.0 4.4 649 541 B 50 PRO HA B 50 PRO HBy 1.0 1.0 4.4 650 541 B 50 PRO HA B 50 PRO HBx 1.0 1.0 4.4 651 542 B 50 PRO HA B 50 PRO HDx 1.0 1.0 3.7 652 542 B 50 PRO HA B 50 PRO HDy 1.0 1.0 3.7 653 543 B 50 PRO HA B 50 PRO HGx 1.0 1.0 4.4 654 544 B 51 THR HA B 51 THR HG2% 1.0 1.0 6.0 655 545 B 51 THR HG2% B 51 THR HB 1.0 1.0 4.4 656 546 B 51 THR H B 51 THR HA 1.0 0.0 3.4 657 547 B 51 THR H B 51 THR HB 1.0 0.0 4.3 658 548 B 51 THR H B 51 THR HG2% 1.0 1.0 6.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 14 TYR H A 12 SER O 1.0 0.3 2.6 2 2 A 12 SER O A 14 TYR N 1.0 0.6 3.3 3 3 A 15 GLN H A 12 SER O 1.0 0.3 2.6 4 4 A 12 SER O A 15 GLN N 1.0 0.6 3.3 5 5 A 16 LEU H A 12 SER O 1.0 0.3 2.6 6 6 A 12 SER O A 16 LEU N 1.0 0.6 3.3 7 7 A 17 GLU H A 13 LEU O 1.0 0.3 2.6 8 8 A 13 LEU O A 17 GLU N 1.0 0.6 3.3 9 9 A 17 GLU H A 14 TYR O 1.0 0.3 2.6 10 10 A 17 GLU N A 14 TYR O 1.0 0.6 3.3 11 11 A 18 ASN H A 15 GLN O 1.0 0.3 2.6 12 12 A 15 GLN O A 18 ASN N 1.0 0.6 3.3 13 13 A 19 TYR H A 16 LEU O 1.0 0.3 2.6 14 14 A 16 LEU O A 19 TYR N 1.0 0.6 3.3 15 15 A 20 CYS H A 17 GLU O 1.0 0.3 2.6 16 16 A 17 GLU O A 20 CYS N 1.0 0.6 3.3 17 17 B 31 ASP H B 28 CYS O 1.0 0.3 2.6 18 18 B 28 CYS O B 31 ASP N 1.0 0.6 3.3 19 19 B 28 CYS O B 32 LEU H 1.0 0.3 2.6 20 20 B 28 CYS O B 32 LEU N 1.0 0.6 3.3 21 21 B 32 LEU H B 29 GLY O 1.0 0.3 2.6 22 22 B 32 LEU N B 29 GLY O 1.0 0.6 3.3 23 23 B 33 VAL H B 29 GLY O 1.0 0.3 2.6 24 24 B 29 GLY O B 33 VAL N 1.0 0.6 3.3 25 25 B 34 GLU H B 30 SER O 1.0 0.3 2.6 26 26 B 30 SER O B 34 GLU N 1.0 0.6 3.3 27 27 B 35 ALA H B 31 ASP O 1.0 0.3 2.6 28 28 B 31 ASP O B 35 ALA N 1.0 0.6 3.3 29 29 B 36 LEU H B 32 LEU O 1.0 0.3 2.6 30 30 B 32 LEU O B 36 LEU N 1.0 0.6 3.3 31 31 B 37 TYR H B 33 VAL O 1.0 0.3 2.6 32 32 B 33 VAL O B 37 TYR N 1.0 0.6 3.3 33 33 B 38 LEU H B 34 GLU O 1.0 0.3 2.6 34 34 B 34 GLU O B 38 LEU N 1.0 0.6 3.3 35 35 B 39 VAL H B 35 ALA O 1.0 0.3 2.6 36 36 B 35 ALA O B 39 VAL N 1.0 0.6 3.3 37 37 B 40 CYS H B 36 LEU O 1.0 0.3 2.6 38 38 B 36 LEU O B 40 CYS N 1.0 0.6 3.3 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 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 B 30 SER C B 31 ASP N B 31 ASP CA B 31 ASP C 1.0 -105.0 -25.0 PHI 12 12 B 31 ASP C B 32 LEU N B 32 LEU CA B 32 LEU C 1.0 -105.0 -25.0 PHI 13 13 B 32 LEU C B 33 VAL N B 33 VAL CA B 33 VAL C 1.0 -105.0 -25.0 PHI 14 14 B 33 VAL C B 34 GLU N B 34 GLU CA B 34 GLU C 1.0 -105.0 -25.0 PHI 15 15 B 34 GLU C B 35 ALA N B 35 ALA CA B 35 ALA C 1.0 -105.0 -25.0 PHI 16 16 B 35 ALA C B 36 LEU N B 36 LEU CA B 36 LEU C 1.0 -105.0 -25.0 PHI 17 17 B 36 LEU C B 37 TYR N B 37 TYR CA B 37 TYR C 1.0 -105.0 -25.0 PHI 18 18 B 37 TYR C B 38 LEU N B 38 LEU CA B 38 LEU C 1.0 -105.0 -25.0 PHI 19 19 B 38 LEU C B 39 VAL N B 39 VAL CA B 39 VAL C 1.0 -105.0 -25.0 PHI 20 20 A 9 SER C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -160.0 -80.0 PHI 21 21 A 11 CYS C A 12 SER N A 12 SER CA A 12 SER C 1.0 -160.0 -80.0 PHI 22 22 B 22 PHE C B 23 VAL N B 23 VAL CA B 23 VAL C 1.0 -160.0 -80.0 PHI 23 23 B 24 ASN C B 25 GLN N B 25 GLN CA B 25 GLN C 1.0 -160.0 -80.0 PHI 24 24 B 26 HIS C B 27 LEU N B 27 LEU CA B 27 LEU C 1.0 -160.0 -80.0 PHI 25 25 A 3 VAL N A 3 VAL CA A 3 VAL CB A 3 VAL CG1 1.0 -100.0 -20.0 CHI1 26 26 A 6 CYS N A 6 CYS CA A 6 CYS CB A 6 CYS SG 1.0 -100.0 -20.0 CHI1 27 27 A 15 GLN N A 15 GLN CA A 15 GLN CB A 15 GLN CG 1.0 -100.0 -20.0 CHI1 28 28 A 16 LEU N A 16 LEU CA A 16 LEU CB A 16 LEU CG 1.0 -100.0 -20.0 CHI1 29 29 A 17 GLU N A 17 GLU CA A 17 GLU CB A 17 GLU CG 1.0 -100.0 -20.0 CHI1 30 30 A 19 TYR N A 19 TYR CA A 19 TYR CB A 19 TYR CG 1.0 -100.0 -20.0 CHI1 31 31 A 20 CYS N A 20 CYS CA A 20 CYS CB A 20 CYS SG 1.0 -100.0 -20.0 CHI1 32 32 B 28 CYS N B 28 CYS CA B 28 CYS CB B 28 CYS SG 1.0 -100.0 -20.0 CHI1 33 33 B 31 ASP N B 31 ASP CA B 31 ASP CB B 31 ASP CG 1.0 -100.0 -20.0 CHI1 34 34 B 33 VAL N B 33 VAL CA B 33 VAL CB B 33 VAL CG1 1.0 -100.0 -20.0 CHI1 35 35 B 34 GLU N B 34 GLU CA B 34 GLU CB B 34 GLU CG 1.0 -100.0 -20.0 CHI1 36 36 B 36 LEU N B 36 LEU CA B 36 LEU CB B 36 LEU CG 1.0 -100.0 -20.0 CHI1 37 37 B 38 LEU N B 38 LEU CA B 38 LEU CB B 38 LEU CG 1.0 -100.0 -20.0 CHI1 38 38 B 39 VAL N B 39 VAL CA B 39 VAL CB B 39 VAL CG1 1.0 -100.0 -20.0 CHI1 39 39 B 40 CYS N B 40 CYS CA B 40 CYS CB B 40 CYS SG 1.0 -100.0 -20.0 CHI1 40 40 B 26 HIS N B 26 HIS CA B 26 HIS CB B 26 HIS CG 1.0 140.0 220.0 CHI1 41 41 A 12 SER N A 12 SER CA A 12 SER CB A 12 SER OG 1.0 20.0 100.0 CHI1 42 42 B 36 LEU CA B 36 LEU CB B 36 LEU CG B 36 LEU CD1 1.0 -100.0 -20.0 CHI2 stop_ save_