data_nef_c15900_2k72 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 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 3 CYS SG 1 37 CYS SG 1 10 CYS SG 1 30 CYS SG 1 19 CYS SG 1 34 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 TYR start . . 2 A 2 GLY middle . false 3 A 3 CYS middle -HG . 4 A 4 LEU middle . . 5 A 5 ASP middle . . 6 A 6 ARG middle . . 7 A 7 ILE middle . . 8 A 8 PHE middle . . 9 A 9 VAL middle . . 10 A 10 CYS middle -HG . 11 A 11 THR middle . . 12 A 12 SER middle . . 13 A 13 TRP middle . . 14 A 14 ALA middle . . 15 A 15 ARG middle . . 16 A 16 LYS middle . . 17 A 17 GLY middle . false 18 A 18 PHE middle . . 19 A 19 CYS middle -HG . 20 A 20 ASP middle . . 21 A 21 VAL middle . . 22 A 22 ARG middle . . 23 A 23 GLN middle . . 24 A 24 ARG middle . . 25 A 25 LEU middle . . 26 A 26 MET middle . . 27 A 27 LYS middle . . 28 A 28 ARG middle . . 29 A 29 LEU middle . . 30 A 30 CYS middle -HG . 31 A 31 PRO middle . false 32 A 32 ARG middle . . 33 A 33 SER middle . . 34 A 34 CYS middle -HG . 35 A 35 ASP middle . . 36 A 36 PHE middle . . 37 A 37 CYS end -HG . 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 1 TYR HA H 1 4.24 0.02 A 1 TYR HBx H 1 3.15 0.02 A 1 TYR HBy H 1 3.15 0.02 A 1 TYR HDx H 1 7.18 0.02 A 1 TYR HDy H 1 7.18 0.02 A 1 TYR HEx H 1 6.88 0.02 A 1 TYR HEy H 1 6.88 0.02 A 2 GLY H H 1 8.69 0.02 A 2 GLY HAx H 1 3.90 0.02 A 2 GLY HAy H 1 3.90 0.02 A 3 CYS H H 1 8.70 0.02 A 3 CYS HA H 1 4.71 0.02 A 3 CYS HBx H 1 3.15 0.02 A 3 CYS HBy H 1 3.15 0.02 A 4 LEU H H 1 8.10 0.02 A 4 LEU HA H 1 4.71 0.02 A 4 LEU HBx H 1 1.54 0.02 A 4 LEU HBy H 1 1.54 0.02 A 4 LEU HDx% H 1 0.88 0.02 A 4 LEU HDy% H 1 0.88 0.02 A 4 LEU HG H 1 1.46 0.02 A 5 ASP H H 1 8.72 0.02 A 5 ASP HA H 1 5.07 0.02 A 5 ASP HBy H 1 2.92 0.02 A 5 ASP HBx H 1 2.61 0.02 A 6 ARG H H 1 9.52 0.02 A 6 ARG HA H 1 4.36 0.02 A 6 ARG HBy H 1 2.16 0.02 A 6 ARG HBx H 1 2.05 0.02 A 6 ARG HDx H 1 3.28 0.02 A 6 ARG HDy H 1 3.28 0.02 A 6 ARG HE H 1 7.33 0.02 A 6 ARG HGy H 1 1.96 0.02 A 6 ARG HGx H 1 1.79 0.02 A 7 ILE H H 1 7.03 0.02 A 7 ILE HA H 1 4.73 0.02 A 7 ILE HB H 1 1.91 0.02 A 7 ILE HD1% H 1 0.68 0.02 A 7 ILE HG1y H 1 1.29 0.02 A 7 ILE HG1x H 1 0.94 0.02 A 7 ILE HG2% H 1 0.88 0.02 A 8 PHE H H 1 8.59 0.02 A 8 PHE HA H 1 4.34 0.02 A 8 PHE HBy H 1 3.18 0.02 A 8 PHE HBx H 1 3.06 0.02 A 8 PHE HDx H 1 7.20 0.02 A 8 PHE HDy H 1 7.20 0.02 A 8 PHE HEx H 1 7.31 0.02 A 8 PHE HEy H 1 7.31 0.02 A 9 VAL H H 1 6.82 0.02 A 9 VAL HA H 1 3.85 0.02 A 9 VAL HB H 1 1.39 0.02 A 9 VAL HGx% H 1 -0.02 0.02 A 9 VAL HGy% H 1 -0.02 0.02 A 10 CYS H H 1 7.10 0.02 A 10 CYS HA H 1 4.19 0.02 A 10 CYS HBy H 1 2.90 0.02 A 10 CYS HBx H 1 2.78 0.02 A 11 THR H H 1 7.77 0.02 A 11 THR HA H 1 3.86 0.02 A 11 THR HB H 1 4.02 0.02 A 11 THR HG2% H 1 1.18 0.02 A 12 SER H H 1 7.73 0.02 A 12 SER HA H 1 4.15 0.02 A 12 SER HBx H 1 3.87 0.02 A 12 SER HBy H 1 3.87 0.02 A 13 TRP H H 1 8.49 0.02 A 13 TRP HA H 1 3.98 0.02 A 13 TRP HBy H 1 3.34 0.02 A 13 TRP HBx H 1 3.04 0.02 A 13 TRP HD1 H 1 6.64 0.02 A 13 TRP HE1 H 1 10.12 0.02 A 13 TRP HE3 H 1 7.80 0.02 A 13 TRP HH2 H 1 7.10 0.02 A 13 TRP HZ2 H 1 7.39 0.02 A 13 TRP HZ3 H 1 6.90 0.02 A 14 ALA H H 1 8.85 0.02 A 14 ALA HA H 1 4.27 0.02 A 14 ALA HB% H 1 1.39 0.02 A 15 ARG H H 1 7.90 0.02 A 15 ARG HA H 1 4.19 0.02 A 15 ARG HBx H 1 2.01 0.02 A 15 ARG HBy H 1 2.01 0.02 A 15 ARG HDx H 1 3.19 0.02 A 15 ARG HDy H 1 3.19 0.02 A 15 ARG HE H 1 7.29 0.02 A 15 ARG HGy H 1 1.85 0.02 A 15 ARG HGx H 1 1.74 0.02 A 16 LYS H H 1 7.49 0.02 A 16 LYS HA H 1 4.33 0.02 A 16 LYS HBx H 1 1.40 0.02 A 16 LYS HBy H 1 1.40 0.02 A 16 LYS HDx H 1 1.47 0.02 A 16 LYS HDy H 1 1.47 0.02 A 16 LYS HEx H 1 2.87 0.02 A 16 LYS HEy H 1 2.87 0.02 A 16 LYS HGx H 1 1.74 0.02 A 16 LYS HGy H 1 1.74 0.02 A 16 LYS HZ1 H 1 7.68 0.02 A 16 LYS HZ2 H 1 7.68 0.02 A 16 LYS HZ3 H 1 7.68 0.02 A 17 GLY H H 1 7.61 0.02 A 17 GLY HAy H 1 4.48 0.02 A 17 GLY HAx H 1 4.15 0.02 A 18 PHE H H 1 8.08 0.02 A 18 PHE HA H 1 4.38 0.02 A 18 PHE HBy H 1 3.13 0.02 A 18 PHE HBx H 1 3.04 0.02 A 18 PHE HDx H 1 6.69 0.02 A 18 PHE HDy H 1 6.69 0.02 A 18 PHE HEx H 1 6.99 0.02 A 18 PHE HEy H 1 6.99 0.02 A 18 PHE HZ H 1 6.63 0.02 A 19 CYS H H 1 9.52 0.02 A 19 CYS HA H 1 4.16 0.02 A 19 CYS HBx H 1 2.96 0.02 A 19 CYS HBy H 1 2.96 0.02 A 20 ASP H H 1 7.35 0.02 A 20 ASP HA H 1 4.88 0.02 A 20 ASP HBy H 1 2.84 0.02 A 20 ASP HBx H 1 2.74 0.02 A 21 VAL H H 1 7.35 0.02 A 21 VAL HA H 1 4.25 0.02 A 21 VAL HB H 1 2.15 0.02 A 21 VAL HGx% H 1 0.99 0.02 A 21 VAL HGy% H 1 0.99 0.02 A 22 ARG H H 1 8.31 0.02 A 22 ARG HA H 1 4.71 0.02 A 22 ARG HBy H 1 1.78 0.02 A 22 ARG HBx H 1 1.40 0.02 A 22 ARG HDy H 1 2.55 0.02 A 22 ARG HDx H 1 1.96 0.02 A 22 ARG HE H 1 6.56 0.02 A 22 ARG HGy H 1 1.17 0.02 A 22 ARG HGx H 1 0.77 0.02 A 23 GLN H H 1 7.82 0.02 A 23 GLN HA H 1 3.92 0.02 A 23 GLN HBy H 1 2.15 0.02 A 23 GLN HBx H 1 2.03 0.02 A 23 GLN HE2y H 1 7.53 0.02 A 23 GLN HE2x H 1 6.94 0.02 A 23 GLN HGy H 1 2.59 0.02 A 23 GLN HGx H 1 2.26 0.02 A 24 ARG H H 1 8.52 0.02 A 24 ARG HA H 1 3.86 0.02 A 24 ARG HBy H 1 1.83 0.02 A 24 ARG HBx H 1 1.77 0.02 A 24 ARG HDx H 1 3.18 0.02 A 24 ARG HDy H 1 3.18 0.02 A 24 ARG HE H 1 7.24 0.02 A 24 ARG HGx H 1 1.57 0.02 A 24 ARG HGy H 1 1.57 0.02 A 25 LEU H H 1 7.83 0.02 A 25 LEU HA H 1 4.13 0.02 A 25 LEU HBx H 1 1.77 0.02 A 25 LEU HBy H 1 1.77 0.02 A 25 LEU HDx% H 1 0.93 0.02 A 25 LEU HDy% H 1 0.62 0.02 A 25 LEU HG H 1 1.57 0.02 A 26 MET H H 1 8.49 0.02 A 26 MET HA H 1 4.46 0.02 A 26 MET HBx H 1 2.33 0.02 A 26 MET HBy H 1 2.33 0.02 A 26 MET HE% H 1 2.20 0.02 A 26 MET HGx H 1 2.84 0.02 A 26 MET HGy H 1 2.84 0.02 A 27 LYS H H 1 8.93 0.02 A 27 LYS HA H 1 4.01 0.02 A 27 LYS HBx H 1 1.76 0.02 A 27 LYS HBy H 1 1.76 0.02 A 27 LYS HDx H 1 1.40 0.02 A 27 LYS HDy H 1 1.40 0.02 A 27 LYS HEx H 1 2.46 0.02 A 27 LYS HEy H 1 2.46 0.02 A 27 LYS HGy H 1 1.21 0.02 A 27 LYS HGx H 1 1.04 0.02 A 27 LYS HZ1 H 1 7.46 0.02 A 27 LYS HZ2 H 1 7.46 0.02 A 27 LYS HZ3 H 1 7.46 0.02 A 28 ARG H H 1 7.15 0.02 A 28 ARG HA H 1 4.29 0.02 A 28 ARG HBy H 1 2.06 0.02 A 28 ARG HBx H 1 1.94 0.02 A 28 ARG HDy H 1 3.34 0.02 A 28 ARG HDx H 1 3.21 0.02 A 28 ARG HE H 1 7.40 0.02 A 28 ARG HGy H 1 1.74 0.02 A 28 ARG HGx H 1 1.58 0.02 A 29 LEU H H 1 8.49 0.02 A 29 LEU HA H 1 4.60 0.02 A 29 LEU HBy H 1 2.08 0.02 A 29 LEU HBx H 1 1.68 0.02 A 29 LEU HDx% H 1 1.10 0.02 A 29 LEU HDy% H 1 0.93 0.02 A 29 LEU HG H 1 1.78 0.02 A 30 CYS H H 1 8.93 0.02 A 30 CYS HA H 1 5.85 0.02 A 30 CYS HBy H 1 3.49 0.02 A 30 CYS HBx H 1 2.92 0.02 A 31 PRO HA H 1 4.24 0.02 A 31 PRO HBy H 1 2.46 0.02 A 31 PRO HBx H 1 2.05 0.02 A 31 PRO HDy H 1 3.91 0.02 A 31 PRO HDx H 1 3.51 0.02 A 31 PRO HGy H 1 2.20 0.02 A 31 PRO HGx H 1 1.94 0.02 A 32 ARG H H 1 7.11 0.02 A 32 ARG HA H 1 4.19 0.02 A 32 ARG HBx H 1 1.76 0.02 A 32 ARG HBy H 1 1.76 0.02 A 32 ARG HDy H 1 3.29 0.02 A 32 ARG HDx H 1 3.22 0.02 A 32 ARG HE H 1 7.16 0.02 A 32 ARG HGx H 1 1.58 0.02 A 32 ARG HGy H 1 1.58 0.02 A 33 SER H H 1 10.23 0.02 A 33 SER HA H 1 4.12 0.02 A 33 SER HBy H 1 3.73 0.02 A 33 SER HBx H 1 3.50 0.02 A 34 CYS H H 1 6.95 0.02 A 34 CYS HA H 1 4.57 0.02 A 34 CYS HBy H 1 2.04 0.02 A 34 CYS HBx H 1 1.66 0.02 A 35 ASP H H 1 7.74 0.02 A 35 ASP HA H 1 4.49 0.02 A 35 ASP HBy H 1 3.12 0.02 A 35 ASP HBx H 1 2.50 0.02 A 36 PHE H H 1 9.02 0.02 A 36 PHE HA H 1 5.29 0.02 A 36 PHE HBy H 1 3.69 0.02 A 36 PHE HBx H 1 2.81 0.02 A 36 PHE HDx H 1 7.04 0.02 A 36 PHE HDy H 1 7.04 0.02 A 36 PHE HEx H 1 7.35 0.02 A 36 PHE HEy H 1 7.35 0.02 A 36 PHE HZ H 1 7.51 0.02 A 37 CYS H H 1 8.18 0.02 A 37 CYS HA H 1 4.63 0.02 A 37 CYS HBy H 1 3.36 0.02 A 37 CYS HBx H 1 3.14 0.02 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 . 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 6 ARG H A 29 LEU HA 1.0 1.8 4.91 2 2 A 5 ASP HA A 30 CYS HA 1.0 1.8 4.26 3 3 A 6 ARG H A 30 CYS HA 1.0 1.8 4.46 4 4 A 30 CYS HA A 5 ASP H 1.0 1.8 5.21 5 5 A 5 ASP HA A 30 CYS H 1.0 1.8 5.42 6 6 A 4 LEU HA A 31 PRO HGy 1.0 1.8 4.96 7 7 A 4 LEU H A 31 PRO HGx 1.0 1.8 4.72 8 8 A 31 PRO HGy A 4 LEU H 1.0 1.8 4.60 9 9 A 5 ASP HA A 31 PRO HGy 1.0 1.8 4.94 10 10 A 5 ASP HA A 31 PRO HGx 1.0 1.8 4.94 11 11 A 5 ASP HA A 31 PRO HDy 1.0 1.8 4.36 12 12 A 5 ASP HA A 31 PRO HDx 1.0 1.8 4.44 13 13 A 6 ARG H A 31 PRO HDy 1.0 1.8 4.75 14 14 A 5 ASP HA A 32 ARG H 1.0 1.8 4.78 15 15 A 34 CYS HBx A 19 CYS HBx 1.0 1.8 4.50 16 15 A 19 CYS HBy A 34 CYS HBx 1.0 1.8 4.50 17 16 A 34 CYS HA A 19 CYS HBx 1.0 1.8 4.66 18 16 A 19 CYS HBy A 34 CYS HA 1.0 1.8 4.66 19 17 A 34 CYS HBy A 19 CYS HBx 1.0 1.8 4.50 20 17 A 19 CYS HBy A 34 CYS HBy 1.0 1.8 4.50 21 18 A 27 LYS HA A 36 PHE HBx 1.0 1.8 4.89 22 19 A 27 LYS HA A 36 PHE HBy 1.0 1.8 4.99 23 20 A 27 LYS HA A 36 PHE HA 1.0 1.8 5.16 24 21 A 5 ASP H A 32 ARG HBx 1.0 1.8 4.55 25 21 A 5 ASP H A 32 ARG HBy 1.0 1.8 4.55 26 22 A 5 ASP H A 31 PRO HGx 1.0 1.8 5.50 27 23 A 5 ASP H A 31 PRO HGy 1.0 1.8 5.50 28 24 A 5 ASP H A 31 PRO HDx 1.0 1.8 5.50 29 25 A 5 ASP H A 31 PRO HDy 1.0 1.8 5.50 30 26 A 5 ASP H A 32 ARG HA 1.0 1.8 5.50 31 27 A 4 LEU H A 31 PRO HBx 1.0 1.8 5.50 32 28 A 4 LEU H A 31 PRO HBy 1.0 1.8 5.50 33 29 A 4 LEU H A 31 PRO HDy 1.0 1.8 5.50 34 30 A 4 LEU H A 31 PRO HDx 1.0 1.8 5.50 35 31 A 30 CYS HA A 7 ILE H 1.0 1.8 5.50 36 32 A 3 CYS H A 37 CYS HBy 1.0 1.8 5.50 37 33 A 14 ALA H A 26 MET HE% 1.0 1.8 3.98 38 34 A 26 MET HE% A 18 PHE H 1.0 1.8 4.56 39 35 A 26 MET HE% A 14 ALA HA 1.0 1.8 3.50 40 36 A 26 MET HE% A 13 TRP HA 1.0 1.8 4.79 41 37 A 26 MET HE% A 15 ARG H 1.0 1.8 5.64 42 38 A 5 ASP H A 32 ARG H 1.0 1.8 5.08 43 39 A 6 ARG H A 30 CYS HBy 1.0 1.8 5.03 44 40 A 14 ALA HB% A 33 SER HBy 1.0 1.8 4.06 45 41 A 14 ALA HB% A 33 SER HBx 1.0 1.8 4.06 46 42 A 27 LYS HA A 36 PHE HD% 1.0 1.8 3.45 47 43 A 36 PHE HD% A 27 LYS H 1.0 1.8 4.83 48 44 A 26 MET H A 36 PHE HE% 1.0 1.8 4.91 49 45 A 27 LYS HA A 36 PHE HE% 1.0 1.8 3.97 50 46 A 27 LYS H A 36 PHE HE% 1.0 1.8 4.72 51 47 A 30 CYS HA A 10 CYS HBx 1.0 1.8 5.38 52 48 A 30 CYS HBy A 10 CYS HBx 1.0 1.8 4.27 53 49 A 13 TRP HZ3 A 29 LEU HDx% 1.0 1.8 4.00 54 50 A 29 LEU HDx% A 13 TRP HH2 1.0 1.8 4.26 55 51 A 29 LEU HDx% A 13 TRP HE3 1.0 1.8 4.54 56 52 A 29 LEU HDx% A 13 TRP HZ2 1.0 1.8 4.86 57 53 A 26 MET HE% A 18 PHE HD% 1.0 1.8 4.22 58 54 A 26 MET HE% A 13 TRP HE3 1.0 1.8 4.05 59 55 A 26 MET HE% A 13 TRP HZ3 1.0 1.8 4.96 60 56 A 18 PHE HD% A 25 LEU HDy% 1.0 1.8 4.33 61 57 A 25 LEU HDy% A 18 PHE HZ 1.0 1.8 4.67 62 58 A 25 LEU HDy% A 18 PHE HE% 1.0 1.8 5.50 63 59 A 13 TRP HZ3 A 25 LEU HDy% 1.0 1.8 4.41 64 60 A 13 TRP HE3 A 25 LEU HDy% 1.0 1.8 4.64 65 61 A 13 TRP HH2 A 25 LEU HDy% 1.0 63.0 6.87 66 62 A 13 TRP HZ2 A 25 LEU HDy% 1.0 1.8 5.00 67 63 A 36 PHE HE% A 23 GLN HA 1.0 1.8 4.17 68 64 A 23 GLN HA A 36 PHE HZ 1.0 1.8 4.70 69 65 A 36 PHE HE% A 20 ASP HA 1.0 1.8 5.63 70 66 A 36 PHE HZ A 20 ASP HA 1.0 1.8 5.73 71 67 A 36 PHE HD% A 19 CYS HA 1.0 1.8 5.07 72 68 A 36 PHE HE% A 19 CYS HA 1.0 1.8 4.29 73 69 A 36 PHE HZ A 19 CYS HA 1.0 1.8 4.71 74 70 A 36 PHE HD% A 19 CYS HBx 1.0 1.8 4.96 75 70 A 19 CYS HBy A 36 PHE HD% 1.0 1.8 4.96 76 71 A 36 PHE HE% A 19 CYS HBx 1.0 1.8 4.35 77 71 A 19 CYS HBy A 36 PHE HE% 1.0 1.8 4.35 78 72 A 36 PHE HZ A 19 CYS HBx 1.0 1.8 4.53 79 72 A 19 CYS HBy A 36 PHE HZ 1.0 1.8 4.53 80 73 A 13 TRP HH2 A 7 ILE HD1% 1.0 1.8 4.11 81 74 A 13 TRP HZ2 A 7 ILE HD1% 1.0 1.8 4.47 82 75 A 13 TRP HZ3 A 7 ILE HD1% 1.0 1.8 4.09 83 76 A 13 TRP HH2 A 7 ILE HG2% 1.0 1.8 4.56 84 77 A 13 TRP HZ3 A 7 ILE HG2% 1.0 1.8 4.54 85 78 A 13 TRP HH2 A 7 ILE HG1x 1.0 1.8 4.33 86 79 A 13 TRP HZ3 A 7 ILE HG1x 1.0 1.8 4.13 87 80 A 13 TRP HH2 A 7 ILE HG1y 1.0 1.8 5.27 88 81 A 13 TRP HZ3 A 7 ILE HG1y 1.0 1.8 5.38 89 82 A 13 TRP HE3 A 30 CYS HBx 1.0 1.8 5.37 90 83 A 30 CYS HBy A 13 TRP HE3 1.0 1.8 5.37 91 84 A 18 PHE HD% A 9 VAL HGx% 1.0 1.8 5.12 92 84 A 18 PHE HD% A 9 VAL HGy% 1.0 1.8 5.12 93 85 A 18 PHE HE% A 9 VAL HGx% 1.0 1.8 5.50 94 85 A 18 PHE HE% A 9 VAL HGy% 1.0 1.8 5.50 95 86 A 1 TYR HA A 1 TYR HBx 1.0 1.8 4.53 96 86 A 1 TYR HA A 1 TYR HBy 1.0 1.8 4.53 97 87 A 2 GLY H A 2 GLY HAx 1.0 1.8 3.48 98 87 A 2 GLY H A 2 GLY HAy 1.0 1.8 3.48 99 88 A 3 CYS H A 3 CYS HA 1.0 1.8 3.45 100 89 A 3 CYS H A 3 CYS HBx 1.0 1.8 3.49 101 89 A 3 CYS H A 3 CYS HBy 1.0 1.8 3.49 102 90 A 3 CYS HA A 3 CYS HBx 1.0 1.8 3.71 103 90 A 3 CYS HA A 3 CYS HBy 1.0 1.8 3.71 104 91 A 4 LEU HA A 4 LEU H 1.0 1.8 3.17 105 92 A 4 LEU H A 4 LEU HG 1.0 1.8 3.77 106 93 A 4 LEU HA A 4 LEU HG 1.0 1.8 3.89 107 94 A 4 LEU HA A 4 LEU HBx 1.0 1.8 3.64 108 94 A 4 LEU HA A 4 LEU HBy 1.0 1.8 3.64 109 95 A 4 LEU H A 4 LEU HBx 1.0 1.8 4.08 110 95 A 4 LEU H A 4 LEU HBy 1.0 1.8 4.08 111 96 A 4 LEU HG A 4 LEU HDx% 1.0 1.8 3.51 112 96 A 4 LEU HG A 4 LEU HDy% 1.0 1.8 3.51 113 97 A 4 LEU HBy A 4 LEU HDx% 1.0 1.8 3.54 114 97 A 4 LEU HBx A 4 LEU HDx% 1.0 1.8 3.54 115 97 A 4 LEU HDy% A 4 LEU HBx 1.0 1.8 3.54 116 97 A 4 LEU HBy A 4 LEU HDy% 1.0 1.8 3.54 117 98 A 4 LEU H A 4 LEU HDx% 1.0 1.8 4.20 118 98 A 4 LEU H A 4 LEU HDy% 1.0 1.8 4.20 119 99 A 5 ASP HA A 5 ASP H 1.0 1.8 4.21 120 100 A 5 ASP H A 5 ASP HBy 1.0 1.8 3.87 121 101 A 5 ASP HA A 5 ASP HBy 1.0 1.8 4.28 122 102 A 5 ASP HBy A 5 ASP HBx 1.0 1.8 3.39 123 103 A 5 ASP H A 5 ASP HBx 1.0 1.8 3.74 124 104 A 5 ASP HA A 5 ASP HBx 1.0 1.8 4.30 125 105 A 6 ARG H A 6 ARG HA 1.0 1.8 4.02 126 106 A 7 ILE H A 7 ILE HA 1.0 1.8 4.19 127 107 A 7 ILE HA A 7 ILE HB 1.0 1.8 3.64 128 108 A 7 ILE H A 7 ILE HB 1.0 1.8 4.49 129 109 A 7 ILE HG1y A 7 ILE HB 1.0 1.8 4.08 130 110 A 7 ILE H A 7 ILE HG1y 1.0 1.8 4.42 131 111 A 7 ILE HG1y A 7 ILE HA 1.0 1.8 4.52 132 112 A 7 ILE H A 7 ILE HG1x 1.0 1.8 4.42 133 113 A 7 ILE HG1x A 7 ILE HB 1.0 1.8 4.14 134 114 A 7 ILE HG1x A 7 ILE HA 1.0 1.8 4.51 135 115 A 7 ILE HD1% A 7 ILE HB 1.0 1.8 3.72 136 116 A 7 ILE HD1% A 7 ILE HA 1.0 1.8 4.41 137 117 A 7 ILE H A 7 ILE HD1% 1.0 1.8 4.79 138 118 A 7 ILE HG2% A 7 ILE HA 1.0 1.8 3.19 139 119 A 7 ILE HG2% A 7 ILE HB 1.0 1.8 3.33 140 120 A 7 ILE H A 7 ILE HG2% 1.0 1.8 4.17 141 121 A 8 PHE H A 8 PHE HA 1.0 1.8 3.56 142 122 A 8 PHE HA A 8 PHE HBy 1.0 1.8 3.54 143 123 A 8 PHE H A 8 PHE HBx 1.0 2.0 3.73 144 124 A 8 PHE HBy A 8 PHE HBx 1.0 1.8 3.00 145 125 A 8 PHE HA A 8 PHE HBx 1.0 1.8 3.53 146 126 A 9 VAL H A 9 VAL HA 1.0 1.8 4.53 147 127 A 9 VAL HA A 9 VAL HB 1.0 1.8 3.35 148 128 A 9 VAL H A 9 VAL HB 1.0 1.8 4.58 149 129 A 9 VAL HB A 9 VAL HGx% 1.0 1.8 3.63 150 129 A 9 VAL HGy% A 9 VAL HB 1.0 1.8 3.63 151 130 A 9 VAL HA A 9 VAL HGx% 1.0 1.8 3.69 152 130 A 9 VAL HGy% A 9 VAL HA 1.0 1.8 3.69 153 131 A 9 VAL H A 9 VAL HGx% 1.0 1.8 4.16 154 131 A 9 VAL HGy% A 9 VAL H 1.0 1.8 4.16 155 132 A 10 CYS H A 10 CYS HA 1.0 1.8 3.48 156 133 A 10 CYS H A 10 CYS HBy 1.0 1.8 3.53 157 134 A 10 CYS HA A 10 CYS HBy 1.0 1.8 3.83 158 135 A 10 CYS HBx A 10 CYS HBy 1.0 1.8 3.49 159 136 A 10 CYS HBx A 10 CYS H 1.0 1.8 4.05 160 137 A 10 CYS HBx A 10 CYS HA 1.0 1.8 4.04 161 138 A 11 THR H A 11 THR HA 1.0 1.8 3.61 162 139 A 11 THR HA A 11 THR HB 1.0 1.9 3.46 163 140 A 11 THR H A 11 THR HB 1.0 1.8 3.65 164 141 A 12 SER H A 12 SER HA 1.0 1.8 3.54 165 142 A 12 SER H A 12 SER HBx 1.0 1.8 3.15 166 142 A 12 SER H A 12 SER HBy 1.0 1.8 3.15 167 143 A 12 SER HA A 12 SER HBx 1.0 1.8 3.36 168 143 A 12 SER HA A 12 SER HBy 1.0 1.8 3.36 169 144 A 13 TRP HA A 13 TRP H 1.0 1.8 3.93 170 145 A 13 TRP H A 13 TRP HBy 1.0 1.8 3.84 171 146 A 13 TRP HA A 13 TRP HBy 1.0 1.8 4.33 172 147 A 13 TRP HBy A 13 TRP HBx 1.0 1.8 3.70 173 148 A 13 TRP H A 13 TRP HBx 1.0 1.8 3.93 174 149 A 13 TRP HA A 13 TRP HBx 1.0 1.8 4.29 175 150 A 14 ALA HA A 14 ALA HB% 1.0 1.8 3.26 176 151 A 14 ALA H A 14 ALA HB% 1.0 1.8 3.35 177 152 A 14 ALA H A 14 ALA HA 1.0 1.8 3.80 178 153 A 15 ARG H A 15 ARG HA 1.0 1.8 3.59 179 154 A 16 LYS H A 16 LYS HA 1.0 1.8 3.80 180 155 A 17 GLY H A 17 GLY HAx 1.0 1.8 3.60 181 156 A 17 GLY H A 17 GLY HAy 1.0 1.8 3.46 182 157 A 17 GLY HAx A 17 GLY HAy 1.0 1.8 3.91 183 158 A 18 PHE H A 18 PHE HA 1.0 1.8 4.09 184 159 A 18 PHE H A 18 PHE HBy 1.0 1.8 3.95 185 160 A 18 PHE HA A 18 PHE HBy 1.0 1.8 4.35 186 161 A 18 PHE H A 18 PHE HBx 1.0 1.8 3.85 187 162 A 18 PHE HA A 18 PHE HBx 1.0 1.8 3.96 188 163 A 19 CYS HA A 19 CYS H 1.0 1.8 3.90 189 164 A 19 CYS H A 19 CYS HBx 1.0 1.8 3.60 190 164 A 19 CYS HBy A 19 CYS H 1.0 1.8 3.60 191 165 A 19 CYS HA A 19 CYS HBx 1.0 1.8 3.65 192 165 A 19 CYS HBy A 19 CYS HA 1.0 1.8 3.65 193 166 A 20 ASP HA A 20 ASP H 1.0 1.8 3.77 194 167 A 20 ASP H A 20 ASP HBy 1.0 1.8 3.61 195 168 A 20 ASP HA A 20 ASP HBy 1.0 1.8 3.89 196 169 A 20 ASP HBy A 20 ASP HBx 1.0 1.8 3.02 197 170 A 20 ASP H A 20 ASP HBx 1.0 1.8 3.65 198 171 A 20 ASP HA A 20 ASP HBx 1.0 1.8 3.66 199 172 A 21 VAL H A 21 VAL HA 1.0 1.8 3.77 200 173 A 21 VAL HA A 21 VAL HB 1.0 1.8 3.58 201 174 A 21 VAL H A 21 VAL HB 1.0 1.8 3.81 202 175 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 3.37 203 175 A 21 VAL HB A 21 VAL HGy% 1.0 1.8 3.37 204 176 A 21 VAL H A 21 VAL HGx% 1.0 1.8 3.38 205 176 A 21 VAL H A 21 VAL HGy% 1.0 1.8 3.38 206 177 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 3.55 207 177 A 21 VAL HA A 21 VAL HGy% 1.0 1.8 3.55 208 178 A 22 ARG H A 22 ARG HA 1.0 1.8 4.20 209 179 A 23 GLN HA A 23 GLN H 1.0 1.8 4.00 210 180 A 23 GLN H A 23 GLN HBy 1.0 1.8 3.87 211 181 A 23 GLN HA A 23 GLN HBy 1.0 1.8 3.90 212 182 A 23 GLN HBy A 23 GLN HBx 1.0 1.8 3.20 213 183 A 23 GLN HA A 23 GLN HBx 1.0 1.8 3.74 214 184 A 23 GLN H A 23 GLN HBx 1.0 1.8 3.89 215 185 A 23 GLN HBy A 23 GLN HGy 1.0 1.8 4.10 216 186 A 23 GLN HA A 23 GLN HGy 1.0 1.8 4.27 217 187 A 23 GLN HBx A 23 GLN HGy 1.0 1.8 4.33 218 188 A 23 GLN H A 23 GLN HGy 1.0 1.8 4.67 219 189 A 23 GLN HBy A 23 GLN HGx 1.0 1.8 3.85 220 190 A 23 GLN HBx A 23 GLN HGx 1.0 1.8 4.02 221 191 A 23 GLN HA A 23 GLN HGx 1.0 1.8 4.10 222 192 A 23 GLN H A 23 GLN HGx 1.0 1.8 4.50 223 193 A 24 ARG H A 24 ARG HA 1.0 1.8 3.71 224 194 A 25 LEU H A 25 LEU HA 1.0 1.8 3.77 225 195 A 25 LEU H A 25 LEU HG 1.0 1.8 4.38 226 196 A 25 LEU HA A 25 LEU HG 1.0 1.8 3.80 227 197 A 25 LEU H A 25 LEU HBx 1.0 1.8 3.40 228 197 A 25 LEU H A 25 LEU HBy 1.0 1.8 3.40 229 198 A 25 LEU HA A 25 LEU HBx 1.0 1.8 3.72 230 198 A 25 LEU HA A 25 LEU HBy 1.0 1.8 3.72 231 199 A 25 LEU H A 25 LEU HDx% 1.0 1.8 4.38 232 200 A 25 LEU HDy% A 25 LEU H 1.0 1.8 4.48 233 201 A 26 MET H A 26 MET HA 1.0 1.8 3.86 234 202 A 26 MET H A 26 MET HBx 1.0 1.8 3.91 235 202 A 26 MET H A 26 MET HBy 1.0 1.8 3.91 236 203 A 26 MET HA A 26 MET HBx 1.0 1.8 4.10 237 203 A 26 MET HA A 26 MET HBy 1.0 1.8 4.10 238 204 A 26 MET HBx A 26 MET HGx 1.0 1.8 3.95 239 204 A 26 MET HGy A 26 MET HBx 1.0 1.8 3.95 240 204 A 26 MET HBy A 26 MET HGy 1.0 1.8 3.95 241 204 A 26 MET HBy A 26 MET HGx 1.0 1.8 3.95 242 205 A 26 MET H A 26 MET HGx 1.0 1.8 4.10 243 205 A 26 MET H A 26 MET HGy 1.0 1.8 4.10 244 206 A 26 MET HA A 26 MET HGx 1.0 1.8 4.70 245 206 A 26 MET HA A 26 MET HGy 1.0 1.8 4.70 246 207 A 27 LYS HA A 27 LYS H 1.0 1.8 4.16 247 208 A 28 ARG H A 28 ARG HA 1.0 1.8 3.75 248 209 A 29 LEU HA A 29 LEU H 1.0 1.8 4.05 249 210 A 29 LEU H A 29 LEU HBy 1.0 1.8 3.63 250 211 A 29 LEU HA A 29 LEU HBy 1.0 1.8 3.94 251 212 A 29 LEU HBy A 29 LEU HBx 1.0 1.8 3.45 252 213 A 29 LEU HA A 29 LEU HBx 1.0 1.8 3.82 253 214 A 29 LEU H A 29 LEU HBx 1.0 1.8 3.96 254 215 A 29 LEU H A 29 LEU HG 1.0 1.8 3.44 255 216 A 29 LEU HBy A 29 LEU HG 1.0 1.8 3.62 256 217 A 29 LEU HA A 29 LEU HG 1.0 1.8 4.01 257 218 A 29 LEU HDx% A 29 LEU HBy 1.0 1.8 3.54 258 219 A 29 LEU HDx% A 29 LEU HBx 1.0 1.8 3.58 259 220 A 29 LEU HA A 29 LEU HDx% 1.0 1.8 4.07 260 221 A 29 LEU HDx% A 29 LEU H 1.0 1.8 4.19 261 222 A 29 LEU HA A 29 LEU HDy% 1.0 1.8 4.07 262 223 A 29 LEU HBy A 29 LEU HDy% 1.0 1.8 3.45 263 224 A 29 LEU HBx A 29 LEU HDy% 1.0 1.8 3.57 264 225 A 29 LEU H A 29 LEU HDy% 1.0 1.8 3.89 265 226 A 30 CYS HA A 30 CYS H 1.0 1.8 4.45 266 227 A 30 CYS HA A 30 CYS HBy 1.0 1.8 3.95 267 228 A 30 CYS H A 30 CYS HBy 1.0 1.8 4.06 268 229 A 30 CYS HBy A 30 CYS HBx 1.0 1.8 3.61 269 230 A 30 CYS HA A 30 CYS HBx 1.0 1.8 4.15 270 231 A 30 CYS H A 30 CYS HBx 1.0 1.8 4.36 271 232 A 31 PRO HBy A 31 PRO HA 1.0 1.8 3.96 272 233 A 31 PRO HDy A 31 PRO HBy 1.0 1.8 4.61 273 234 A 31 PRO HDx A 31 PRO HBy 1.0 1.8 4.64 274 235 A 31 PRO HBx A 31 PRO HBy 1.0 1.8 3.49 275 236 A 31 PRO HDx A 31 PRO HBx 1.0 1.8 4.37 276 237 A 31 PRO HGy A 31 PRO HBy 1.0 1.8 4.60 277 238 A 31 PRO HDy A 31 PRO HA 1.0 1.8 5.08 278 239 A 31 PRO HDy A 31 PRO HDx 1.0 1.8 3.64 279 240 A 31 PRO HDx A 31 PRO HA 1.0 1.8 4.76 280 241 A 31 PRO HGy A 31 PRO HDx 1.0 1.8 3.48 281 242 A 31 PRO HGy A 31 PRO HDy 1.0 1.8 3.81 282 243 A 31 PRO HGy A 31 PRO HGx 1.0 1.8 3.60 283 244 A 31 PRO HGx A 31 PRO HDy 1.0 1.8 4.12 284 245 A 31 PRO HGx A 31 PRO HBy 1.0 1.8 4.14 285 246 A 31 PRO HGx A 31 PRO HDx 1.0 1.8 4.16 286 247 A 32 ARG H A 32 ARG HA 1.0 1.8 3.55 287 248 A 33 SER H A 33 SER HA 1.0 1.8 4.02 288 249 A 33 SER HBy A 33 SER H 1.0 1.8 4.11 289 250 A 33 SER HBy A 33 SER HA 1.0 1.8 4.16 290 251 A 33 SER HBy A 33 SER HBx 1.0 1.8 3.61 291 252 A 33 SER HBx A 33 SER HA 1.0 1.8 3.85 292 253 A 33 SER HBx A 33 SER H 1.0 1.8 4.08 293 254 A 34 CYS HA A 34 CYS H 1.0 1.8 4.31 294 255 A 34 CYS HA A 34 CYS HBy 1.0 1.8 3.93 295 256 A 34 CYS HBy A 34 CYS H 1.0 1.8 4.29 296 257 A 34 CYS HBx A 34 CYS HA 1.0 1.8 3.85 297 258 A 34 CYS HBx A 34 CYS H 1.0 1.8 4.29 298 259 A 35 ASP H A 35 ASP HA 1.0 1.8 3.24 299 260 A 35 ASP HA A 35 ASP HBy 1.0 1.8 4.18 300 261 A 35 ASP H A 35 ASP HBy 1.0 1.8 4.22 301 262 A 35 ASP HBy A 35 ASP HBx 1.0 1.8 3.55 302 263 A 35 ASP H A 35 ASP HBx 1.0 1.8 4.07 303 264 A 35 ASP HA A 35 ASP HBx 1.0 1.8 4.27 304 265 A 36 PHE HA A 36 PHE H 1.0 1.8 4.26 305 266 A 36 PHE HBy A 36 PHE H 1.0 1.8 4.29 306 267 A 36 PHE HBy A 36 PHE HA 1.0 1.8 4.35 307 268 A 36 PHE HBx A 36 PHE HBy 1.0 1.8 3.61 308 269 A 36 PHE HBx A 36 PHE H 1.0 1.8 4.21 309 270 A 36 PHE HBx A 36 PHE HA 1.0 1.8 4.24 310 271 A 37 CYS H A 37 CYS HA 1.0 1.8 3.73 311 272 A 37 CYS HBy A 37 CYS HA 1.0 1.8 3.75 312 273 A 37 CYS HBy A 37 CYS H 1.0 1.8 3.90 313 274 A 37 CYS HBy A 37 CYS HBx 1.0 1.8 3.16 314 275 A 37 CYS H A 37 CYS HBx 1.0 1.8 3.63 315 276 A 37 CYS HA A 37 CYS HBx 1.0 1.8 3.74 316 277 A 6 ARG H A 6 ARG HBy 1.0 1.8 4.16 317 278 A 6 ARG H A 6 ARG HBx 1.0 1.8 4.10 318 279 A 6 ARG H A 6 ARG HGy 1.0 1.8 4.32 319 280 A 6 ARG H A 6 ARG HGx 1.0 1.8 4.33 320 281 A 6 ARG HA A 6 ARG HBy 1.0 1.8 3.69 321 282 A 22 ARG HA A 22 ARG HBy 1.0 1.8 3.85 322 283 A 22 ARG H A 22 ARG HBy 1.0 1.8 4.42 323 284 A 22 ARG H A 22 ARG HBx 1.0 1.8 4.60 324 285 A 22 ARG HA A 22 ARG HDy 1.0 1.8 5.01 325 286 A 22 ARG H A 22 ARG HDy 1.0 1.8 5.66 326 287 A 22 ARG HA A 22 ARG HGy 1.0 1.8 4.40 327 288 A 22 ARG H A 22 ARG HGy 1.0 1.8 4.98 328 289 A 22 ARG HA A 22 ARG HGx 1.0 1.8 4.74 329 290 A 22 ARG H A 22 ARG HGx 1.0 1.8 4.92 330 291 A 28 ARG H A 28 ARG HBy 1.0 1.8 3.78 331 292 A 28 ARG H A 28 ARG HBx 1.0 1.8 3.77 332 293 A 28 ARG H A 28 ARG HGy 1.0 1.8 3.66 333 294 A 28 ARG H A 28 ARG HGx 1.0 1.8 3.86 334 295 A 1 TYR HA A 2 GLY H 1.0 1.8 4.21 335 296 A 3 CYS H A 2 GLY HAx 1.0 1.8 3.20 336 296 A 3 CYS H A 2 GLY HAy 1.0 1.8 3.20 337 297 A 4 LEU H A 3 CYS HBx 1.0 1.8 3.98 338 297 A 4 LEU H A 3 CYS HBy 1.0 1.8 3.98 339 298 A 4 LEU H A 3 CYS H 1.0 1.8 4.86 340 299 A 4 LEU HA A 5 ASP HBy 1.0 1.8 5.60 341 300 A 4 LEU HA A 5 ASP HBx 1.0 1.8 4.71 342 301 A 5 ASP H A 4 LEU HA 1.0 1.8 3.75 343 302 A 5 ASP H A 4 LEU HBx 1.0 1.8 3.83 344 302 A 5 ASP H A 4 LEU HBy 1.0 1.8 3.83 345 303 A 5 ASP H A 4 LEU HDx% 1.0 1.8 3.89 346 303 A 5 ASP H A 4 LEU HDy% 1.0 1.8 3.89 347 304 A 5 ASP H A 4 LEU HG 1.0 1.8 4.03 348 305 A 5 ASP H A 4 LEU H 1.0 1.8 4.75 349 306 A 6 ARG H A 5 ASP HA 1.0 1.8 3.78 350 307 A 6 ARG H A 5 ASP HBx 1.0 1.8 4.72 351 308 A 6 ARG H A 5 ASP H 1.0 1.8 5.36 352 309 A 6 ARG H A 7 ILE H 1.0 1.8 3.99 353 310 A 7 ILE H A 6 ARG HA 1.0 1.8 4.34 354 311 A 7 ILE HA A 8 PHE HA 1.0 1.8 5.05 355 312 A 7 ILE HB A 8 PHE HBx 1.0 1.8 5.38 356 313 A 7 ILE HA A 8 PHE H 1.0 1.8 3.25 357 314 A 7 ILE HB A 8 PHE H 1.0 1.8 3.67 358 315 A 7 ILE H A 8 PHE H 1.0 1.8 4.75 359 316 A 7 ILE HD1% A 8 PHE HA 1.0 1.8 5.66 360 317 A 7 ILE HG2% A 8 PHE H 1.0 1.8 3.94 361 318 A 7 ILE HD1% A 8 PHE H 1.0 1.8 4.59 362 319 A 8 PHE HA A 9 VAL HGx% 1.0 1.8 5.41 363 319 A 9 VAL HGy% A 8 PHE HA 1.0 1.8 5.41 364 320 A 8 PHE HBx A 9 VAL H 1.0 1.8 5.19 365 321 A 8 PHE HA A 9 VAL H 1.0 1.8 5.23 366 322 A 8 PHE HBy A 9 VAL H 1.0 1.8 5.25 367 323 A 8 PHE H A 9 VAL H 1.0 1.8 4.31 368 324 A 8 PHE HBy A 9 VAL HGx% 1.0 1.8 5.50 369 324 A 9 VAL HGy% A 8 PHE HBy 1.0 1.8 5.50 370 325 A 9 VAL HA A 10 CYS H 1.0 1.8 3.92 371 326 A 9 VAL H A 10 CYS H 1.0 1.8 4.11 372 327 A 9 VAL HB A 10 CYS H 1.0 1.8 4.50 373 328 A 10 CYS HBy A 11 THR HA 1.0 1.8 5.34 374 329 A 10 CYS HBx A 11 THR HA 1.0 1.8 5.34 375 330 A 10 CYS H A 11 THR H 1.0 1.8 4.11 376 331 A 10 CYS HBy A 11 THR H 1.0 1.8 4.48 377 332 A 10 CYS HBx A 11 THR H 1.0 1.8 4.48 378 333 A 11 THR HB A 12 SER H 1.0 1.8 3.54 379 334 A 13 TRP H A 12 SER HBx 1.0 1.8 3.58 380 334 A 12 SER HBy A 13 TRP H 1.0 1.8 3.58 381 335 A 12 SER H A 13 TRP H 1.0 1.8 3.80 382 336 A 12 SER HA A 13 TRP H 1.0 1.8 3.81 383 337 A 10 CYS HA A 9 VAL HGx% 1.0 1.8 5.05 384 337 A 9 VAL HGy% A 10 CYS HA 1.0 1.8 5.05 385 338 A 14 ALA H A 13 TRP H 1.0 1.8 3.86 386 339 A 14 ALA H A 13 TRP HBy 1.0 1.8 4.18 387 340 A 14 ALA H A 13 TRP HBx 1.0 1.8 4.18 388 341 A 14 ALA H A 13 TRP HA 1.0 1.8 4.40 389 342 A 14 ALA HB% A 13 TRP HBx 1.0 1.8 4.75 390 343 A 14 ALA HB% A 13 TRP HBy 1.0 1.8 4.75 391 344 A 14 ALA H A 15 ARG H 1.0 1.8 3.83 392 345 A 14 ALA HA A 15 ARG H 1.0 1.8 4.50 393 346 A 15 ARG H A 16 LYS H 1.0 1.8 3.79 394 347 A 15 ARG HA A 16 LYS H 1.0 1.8 3.96 395 348 A 16 LYS H A 17 GLY H 1.0 1.8 3.81 396 349 A 16 LYS HA A 17 GLY H 1.0 1.8 4.06 397 350 A 18 PHE H A 17 GLY H 1.0 1.8 3.75 398 351 A 18 PHE H A 17 GLY HAy 1.0 1.8 4.39 399 352 A 18 PHE H A 17 GLY HAx 1.0 1.8 4.39 400 353 A 18 PHE HA A 19 CYS H 1.0 1.8 4.11 401 354 A 18 PHE H A 19 CYS H 1.0 1.8 4.13 402 355 A 18 PHE HBy A 19 CYS H 1.0 2.8 5.04 403 356 A 19 CYS H A 20 ASP H 1.0 1.8 3.72 404 357 A 19 CYS HA A 20 ASP H 1.0 1.8 3.99 405 358 A 20 ASP HBy A 21 VAL HGx% 1.0 1.8 4.46 406 358 A 20 ASP HBy A 21 VAL HGy% 1.0 1.8 4.46 407 359 A 20 ASP HBx A 21 VAL HGx% 1.0 1.8 4.47 408 359 A 20 ASP HBx A 21 VAL HGy% 1.0 1.8 4.47 409 360 A 20 ASP HA A 21 VAL HGx% 1.0 1.8 5.10 410 360 A 20 ASP HA A 21 VAL HGy% 1.0 1.8 5.10 411 361 A 22 ARG HA A 21 VAL HGx% 1.0 1.8 4.71 412 361 A 21 VAL HGy% A 22 ARG HA 1.0 1.8 4.71 413 362 A 21 VAL H A 22 ARG H 1.0 1.8 3.85 414 363 A 22 ARG H A 21 VAL HGx% 1.0 1.8 3.98 415 363 A 21 VAL HGy% A 22 ARG H 1.0 1.8 3.98 416 364 A 21 VAL HA A 22 ARG H 1.0 1.8 4.29 417 365 A 21 VAL HB A 22 ARG H 1.0 1.8 4.00 418 366 A 22 ARG HA A 23 GLN H 1.0 1.8 3.91 419 367 A 22 ARG H A 23 GLN H 1.0 1.8 4.32 420 368 A 23 GLN H A 24 ARG H 1.0 1.7 3.51 421 369 A 23 GLN HA A 24 ARG H 1.0 1.8 4.27 422 370 A 23 GLN HBx A 24 ARG H 1.0 1.8 4.31 423 371 A 23 GLN HBy A 24 ARG H 1.0 1.8 4.31 424 372 A 24 ARG HA A 25 LEU H 1.0 1.8 4.20 425 373 A 26 MET H A 25 LEU H 1.0 1.8 3.75 426 374 A 26 MET H A 25 LEU HA 1.0 1.8 3.91 427 375 A 26 MET H A 25 LEU HG 1.0 1.8 3.98 428 376 A 26 MET H A 25 LEU HDy% 1.0 1.8 4.66 429 377 A 27 LYS H A 26 MET H 1.0 1.8 3.71 430 378 A 27 LYS H A 26 MET HA 1.0 1.8 4.02 431 379 A 27 LYS H A 26 MET HBx 1.0 1.8 4.48 432 379 A 27 LYS H A 26 MET HBy 1.0 1.8 4.48 433 380 A 27 LYS H A 28 ARG H 1.0 1.8 4.04 434 381 A 27 LYS HA A 28 ARG H 1.0 1.8 4.57 435 382 A 28 ARG H A 29 LEU H 1.0 1.8 3.74 436 383 A 28 ARG HA A 29 LEU H 1.0 1.8 4.19 437 384 A 30 CYS H A 29 LEU H 1.0 1.8 3.68 438 385 A 30 CYS H A 29 LEU HBy 1.0 1.8 4.37 439 386 A 29 LEU HA A 30 CYS H 1.0 1.8 4.82 440 387 A 30 CYS H A 29 LEU HDy% 1.0 1.8 4.90 441 388 A 30 CYS H A 29 LEU HDx% 1.0 1.8 5.15 442 389 A 30 CYS HA A 31 PRO HDy 1.0 1.8 4.34 443 390 A 30 CYS HA A 31 PRO HGx 1.0 1.8 5.26 444 391 A 31 PRO HGy A 32 ARG H 1.0 1.8 4.34 445 392 A 32 ARG H A 33 SER H 1.0 1.8 3.90 446 393 A 32 ARG HA A 33 SER H 1.0 1.8 4.54 447 394 A 33 SER H A 34 CYS H 1.0 1.8 4.36 448 395 A 33 SER HA A 34 CYS H 1.0 1.8 4.79 449 396 A 33 SER HBy A 34 CYS H 1.0 1.8 4.91 450 397 A 33 SER HBx A 34 CYS H 1.0 1.8 4.91 451 398 A 34 CYS H A 35 ASP H 1.0 1.8 3.90 452 399 A 34 CYS HA A 35 ASP H 1.0 1.8 4.22 453 400 A 34 CYS HBy A 35 ASP H 1.0 1.8 4.73 454 401 A 34 CYS HBx A 35 ASP H 1.0 1.8 4.73 455 402 A 35 ASP HA A 36 PHE H 1.0 1.8 3.86 456 403 A 35 ASP H A 36 PHE H 1.0 1.8 3.99 457 404 A 35 ASP HBy A 36 PHE H 1.0 1.8 4.83 458 405 A 35 ASP HBx A 36 PHE H 1.0 1.8 4.84 459 406 A 36 PHE H A 37 CYS H 1.0 1.8 3.87 460 407 A 36 PHE HA A 37 CYS H 1.0 1.8 4.05 461 408 A 36 PHE HBx A 37 CYS H 1.0 1.8 4.74 462 409 A 36 PHE HBy A 37 CYS H 1.0 1.8 4.80 463 410 A 30 CYS HA A 31 PRO HGy 1.0 1.8 5.26 464 411 A 18 PHE HD% A 19 CYS HA 1.0 1.8 4.85 465 412 A 18 PHE HD% A 19 CYS H 1.0 1.8 5.05 466 413 A 4 LEU H A 3 CYS HA 1.0 1.8 4.00 467 414 A 10 CYS HA A 11 THR H 1.0 1.8 4.32 468 415 A 15 ARG H A 14 ALA HB% 1.0 1.8 3.66 469 416 A 17 GLY H A 16 LYS HBx 1.0 1.8 4.21 470 416 A 17 GLY H A 16 LYS HBy 1.0 1.8 4.21 471 417 A 29 LEU H A 28 ARG HBx 1.0 1.8 4.05 472 418 A 16 LYS H A 15 ARG HBx 1.0 1.8 3.91 473 418 A 16 LYS H A 15 ARG HBy 1.0 1.8 3.91 474 419 A 33 SER H A 32 ARG HGx 1.0 1.8 4.10 475 419 A 33 SER H A 32 ARG HGy 1.0 1.8 4.10 476 420 A 33 SER H A 32 ARG HBx 1.0 1.8 4.24 477 420 A 32 ARG HBy A 33 SER H 1.0 1.8 4.24 478 421 A 5 ASP HA A 6 ARG HBy 1.0 1.8 5.64 479 422 A 5 ASP HA A 6 ARG HBx 1.0 1.8 5.64 480 423 A 5 ASP HA A 6 ARG HGx 1.0 1.8 5.46 481 424 A 5 ASP HA A 6 ARG HDx 1.0 1.8 5.70 482 424 A 5 ASP HA A 6 ARG HDy 1.0 1.8 5.70 483 425 A 2 GLY HAx A 4 LEU HDx% 1.0 1.8 4.54 484 425 A 2 GLY HAy A 4 LEU HDx% 1.0 1.8 4.54 485 425 A 4 LEU HDy% A 2 GLY HAx 1.0 1.8 4.54 486 425 A 2 GLY HAy A 4 LEU HDy% 1.0 1.8 4.54 487 426 A 5 ASP HA A 7 ILE H 1.0 1.8 4.69 488 427 A 7 ILE H A 5 ASP HBy 1.0 1.8 4.75 489 428 A 7 ILE H A 5 ASP HBx 1.0 1.8 4.76 490 429 A 5 ASP H A 7 ILE H 1.0 1.7 5.51 491 430 A 36 PHE HA A 31 PRO HBx 1.0 1.8 5.29 492 431 A 36 PHE HA A 31 PRO HBy 1.0 1.8 5.42 493 432 A 36 PHE HE% A 31 PRO HA 1.0 1.8 4.35 494 433 A 13 TRP HE3 A 10 CYS HA 1.0 1.8 4.14 495 434 A 13 TRP HZ3 A 10 CYS HA 1.0 1.8 4.97 496 435 A 13 TRP HD1 A 9 VAL HGx% 1.0 1.8 4.22 497 435 A 9 VAL HGy% A 13 TRP HD1 1.0 1.8 4.22 498 436 A 13 TRP HE3 A 9 VAL HGx% 1.0 1.8 4.51 499 436 A 13 TRP HE3 A 9 VAL HGy% 1.0 1.8 4.51 500 437 A 13 TRP HH2 A 9 VAL HGx% 1.0 1.8 4.16 501 437 A 13 TRP HH2 A 9 VAL HGy% 1.0 1.8 4.16 502 438 A 13 TRP HZ3 A 9 VAL HGx% 1.0 1.8 4.44 503 438 A 13 TRP HZ3 A 9 VAL HGy% 1.0 1.8 4.44 504 439 A 13 TRP HZ2 A 9 VAL HGx% 1.0 1.8 3.82 505 439 A 13 TRP HZ2 A 9 VAL HGy% 1.0 1.8 3.82 506 440 A 10 CYS HBx A 13 TRP HE3 1.0 1.8 5.38 507 441 A 36 PHE HBy A 31 PRO HA 1.0 1.8 4.63 508 442 A 36 PHE HBx A 31 PRO HA 1.0 1.8 4.12 509 443 A 36 PHE HBy A 31 PRO HBx 1.0 1.8 4.84 510 444 A 36 PHE HBy A 31 PRO HBy 1.0 1.8 4.96 511 445 A 36 PHE HBx A 31 PRO HBy 1.0 1.8 4.49 512 446 A 36 PHE HBx A 31 PRO HBx 1.0 1.8 4.51 513 447 A 27 LYS HA A 31 PRO HBx 1.0 1.8 4.63 514 448 A 31 PRO HDx A 27 LYS HA 1.0 1.8 5.50 515 449 A 30 CYS HBy A 26 MET HA 1.0 1.8 4.62 516 450 A 30 CYS HBx A 26 MET HA 1.0 1.8 4.62 517 451 A 27 LYS HA A 31 PRO HA 1.0 1.8 4.41 518 452 A 33 SER HBy A 30 CYS HBx 1.0 1.8 4.64 519 453 A 36 PHE HA A 31 PRO HA 1.0 1.8 5.50 520 454 A 36 PHE HD% A 31 PRO HA 1.0 1.8 3.64 521 455 A 34 CYS HBy A 36 PHE HD% 1.0 1.8 4.25 522 456 A 34 CYS HBx A 36 PHE HD% 1.0 1.8 4.25 523 457 A 34 CYS HA A 36 PHE HE% 1.0 1.8 4.73 524 458 A 34 CYS HBy A 36 PHE HE% 1.0 1.8 4.25 525 459 A 34 CYS HBx A 36 PHE HE% 1.0 1.8 4.25 526 460 A 18 PHE HBy A 13 TRP HD1 1.0 1.8 4.84 527 461 A 13 TRP HA A 18 PHE HD% 1.0 1.8 4.22 528 462 A 13 TRP HE3 A 18 PHE HD% 1.0 1.8 4.28 529 463 A 18 PHE HE% A 13 TRP HE1 1.0 1.8 5.20 530 464 A 13 TRP HZ2 A 18 PHE HZ 1.0 1.8 4.54 531 465 A 14 ALA HB% A 11 THR H 1.0 1.8 5.08 532 466 A 15 ARG H A 17 GLY H 1.0 1.8 5.14 533 467 A 17 GLY H A 15 ARG HBx 1.0 1.8 5.09 534 467 A 17 GLY H A 15 ARG HBy 1.0 1.8 5.09 535 468 A 17 GLY HAx A 19 CYS H 1.0 1.8 5.04 536 469 A 31 PRO HA A 36 PHE H 1.0 1.8 4.53 537 470 A 7 ILE HD1% A 9 VAL HGx% 1.0 1.8 3.91 538 470 A 7 ILE HD1% A 9 VAL HGy% 1.0 1.8 3.91 539 471 A 7 ILE HG2% A 9 VAL HGx% 1.0 1.8 4.37 540 471 A 7 ILE HG2% A 9 VAL HGy% 1.0 1.8 4.37 541 472 A 7 ILE HB A 9 VAL HGx% 1.0 1.8 4.65 542 472 A 9 VAL HGy% A 7 ILE HB 1.0 1.8 4.65 543 473 A 7 ILE H A 9 VAL HGx% 1.0 1.8 5.68 544 473 A 7 ILE H A 9 VAL HGy% 1.0 1.8 5.68 545 474 A 7 ILE HG2% A 9 VAL H 1.0 1.8 5.05 546 475 A 7 ILE HB A 9 VAL H 1.0 1.8 5.18 547 476 A 7 ILE HD1% A 9 VAL H 1.0 1.8 5.42 548 477 A 7 ILE HA A 9 VAL H 1.0 1.8 5.61 549 478 A 8 PHE HA A 10 CYS H 1.0 1.8 4.20 550 479 A 8 PHE H A 10 CYS H 1.0 2.8 5.05 551 480 A 13 TRP H A 11 THR HG2% 1.0 1.8 5.36 552 481 A 11 THR H A 9 VAL HGx% 1.0 1.8 5.25 553 481 A 9 VAL HGy% A 11 THR H 1.0 1.8 5.25 554 482 A 12 SER H A 9 VAL HGx% 1.0 1.8 4.72 555 482 A 9 VAL HGy% A 12 SER H 1.0 1.8 4.72 556 483 A 10 CYS HA A 13 TRP HBy 1.0 1.8 4.19 557 484 A 10 CYS HA A 13 TRP HBx 1.0 1.8 4.19 558 485 A 13 TRP HBx A 9 VAL HGx% 1.0 1.8 5.07 559 485 A 9 VAL HGy% A 13 TRP HBx 1.0 1.8 5.07 560 486 A 13 TRP H A 9 VAL HGx% 1.0 1.8 4.70 561 486 A 9 VAL HGy% A 13 TRP H 1.0 1.8 4.70 562 487 A 14 ALA H A 12 SER H 1.0 1.8 4.75 563 488 A 14 ALA H A 11 THR HG2% 1.0 1.8 5.29 564 489 A 14 ALA H A 11 THR HA 1.0 1.8 4.80 565 490 A 14 ALA H A 10 CYS HA 1.0 1.8 4.25 566 491 A 13 TRP HA A 15 ARG H 1.0 1.8 5.26 567 492 A 15 ARG H A 13 TRP HBy 1.0 1.8 5.59 568 493 A 15 ARG H A 13 TRP HBx 1.0 1.8 5.63 569 494 A 15 ARG H A 11 THR HA 1.0 1.8 4.57 570 495 A 14 ALA H A 16 LYS H 1.0 1.8 4.96 571 496 A 15 ARG H A 11 THR HG2% 1.0 1.8 5.21 572 497 A 13 TRP HA A 16 LYS H 1.0 2.8 4.43 573 498 A 13 TRP H A 16 LYS H 1.0 1.8 5.64 574 499 A 13 TRP HA A 17 GLY H 1.0 1.8 5.40 575 500 A 18 PHE H A 16 LYS H 1.0 1.8 4.85 576 501 A 18 PHE H A 14 ALA HA 1.0 1.8 5.00 577 502 A 18 PHE H A 13 TRP HA 1.0 1.8 5.38 578 503 A 18 PHE H A 13 TRP HBy 1.0 1.8 5.49 579 504 A 17 GLY H A 19 CYS H 1.0 1.8 4.87 580 505 A 16 LYS H A 19 CYS H 1.0 1.8 5.21 581 506 A 14 ALA HA A 19 CYS H 1.0 1.8 4.62 582 507 A 18 PHE H A 21 VAL HGx% 1.0 1.8 4.95 583 507 A 18 PHE H A 21 VAL HGy% 1.0 1.8 4.95 584 508 A 18 PHE HBy A 21 VAL HGx% 1.0 1.8 5.48 585 508 A 18 PHE HBy A 21 VAL HGy% 1.0 1.8 5.48 586 509 A 18 PHE HBx A 21 VAL HGx% 1.0 1.8 5.48 587 509 A 18 PHE HBx A 21 VAL HGy% 1.0 1.8 5.48 588 510 A 17 GLY H A 21 VAL HGx% 1.0 1.8 5.48 589 510 A 17 GLY H A 21 VAL HGy% 1.0 1.8 5.48 590 511 A 20 ASP HA A 22 ARG H 1.0 1.8 5.56 591 512 A 20 ASP HBy A 22 ARG H 1.0 1.8 5.77 592 513 A 20 ASP HBx A 22 ARG H 1.0 1.8 5.77 593 514 A 20 ASP HA A 23 GLN HBy 1.0 1.8 5.25 594 515 A 20 ASP HA A 23 GLN HBx 1.0 1.8 5.25 595 516 A 19 CYS HA A 22 ARG H 1.0 1.8 5.70 596 517 A 18 PHE HA A 22 ARG H 1.0 1.8 4.52 597 518 A 18 PHE HBy A 22 ARG H 1.0 1.8 5.36 598 519 A 18 PHE HBx A 22 ARG H 1.0 1.8 5.36 599 520 A 20 ASP HA A 23 GLN HGy 1.0 1.8 5.38 600 521 A 20 ASP HA A 23 GLN HGx 1.0 1.8 5.38 601 522 A 22 ARG HA A 24 ARG H 1.0 1.8 4.61 602 523 A 27 LYS H A 25 LEU H 1.0 1.8 5.26 603 524 A 27 LYS H A 25 LEU HA 1.0 1.8 5.27 604 525 A 26 MET HA A 28 ARG H 1.0 1.8 5.02 605 526 A 30 CYS H A 26 MET HA 1.0 1.8 4.30 606 527 A 30 CYS HA A 32 ARG H 1.0 1.8 4.87 607 528 A 30 CYS HBx A 33 SER H 1.0 1.8 4.90 608 529 A 30 CYS HA A 33 SER H 1.0 1.8 5.20 609 530 A 31 PRO HA A 34 CYS H 1.0 1.8 4.88 610 531 A 33 SER H A 35 ASP H 1.0 1.8 5.12 611 532 A 33 SER HBx A 35 ASP H 1.0 1.8 5.41 612 533 A 34 CYS H A 36 PHE H 1.0 1.8 5.17 613 534 A 34 CYS HBy A 36 PHE H 1.0 1.8 5.38 614 535 A 34 CYS HBx A 36 PHE H 1.0 1.8 5.38 615 536 A 35 ASP HA A 37 CYS H 1.0 1.8 3.90 616 537 A 35 ASP H A 37 CYS H 1.0 1.8 4.76 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 11 THR C A 12 SER N A 12 SER CA A 12 SER C 1.0 -100.0 -20.0 PHI 2 2 A 12 SER C A 13 TRP N A 13 TRP CA A 13 TRP C 1.0 -100.0 -20.0 PHI 3 3 A 13 TRP C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -100.0 -20.0 PHI 4 4 A 14 ALA C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -100.0 -20.0 PHI 5 5 A 15 ARG C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -130.0 -50.0 PHI 6 6 A 21 VAL C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -100.0 -20.0 PHI 7 7 A 22 ARG C A 23 GLN N A 23 GLN CA A 23 GLN C 1.0 -100.0 -20.0 PHI 8 8 A 23 GLN C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -100.0 -20.0 PHI 9 9 A 24 ARG C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -100.0 -20.0 PHI 10 10 A 26 MET C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -110.0 -30.0 PHI 11 11 A 27 LYS C A 28 ARG N A 28 ARG CA A 28 ARG C 1.0 -100.0 -20.0 PHI 12 12 A 28 ARG C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -125.0 -45.0 PHI 13 13 A 29 LEU C A 30 CYS N A 30 CYS CA A 30 CYS C 1.0 -160.0 -80.0 PHI 14 14 A 30 CYS C A 31 PRO N A 31 PRO CA A 31 PRO C 1.0 -95.0 -15.0 PHI 15 15 A 31 PRO C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 -100.0 -20.0 PHI 16 16 A 32 ARG C A 33 SER N A 33 SER CA A 33 SER C 1.0 -100.0 -20.0 PHI 17 17 A 33 SER C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -130.0 -50.0 PHI 18 18 A 12 SER N A 12 SER CA A 12 SER C A 13 TRP N 1.0 -70.0 10.0 PSI 19 19 A 13 TRP N A 13 TRP CA A 13 TRP C A 14 ALA N 1.0 -80.0 0.0 PSI 20 20 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 ARG N 1.0 -80.0 0.0 PSI 21 21 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 LYS N 1.0 -80.0 0.0 PSI 22 22 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 GLY N 1.0 -40.0 40.0 PSI 23 23 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 GLN N 1.0 -80.0 0.0 PSI 24 24 A 23 GLN N A 23 GLN CA A 23 GLN C A 24 ARG N 1.0 -80.0 0.0 PSI 25 25 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 LEU N 1.0 -80.0 0.0 PSI 26 26 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 MET N 1.0 -80.0 0.0 PSI 27 27 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 ARG N 1.0 -70.0 10.0 PSI 28 28 A 28 ARG N A 28 ARG CA A 28 ARG C A 29 LEU N 1.0 -80.0 0.0 PSI 29 29 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 CYS N 1.0 -55.0 25.0 PSI 30 30 A 30 CYS N A 30 CYS CA A 30 CYS C A 31 PRO N 1.0 50.0 130.0 PSI 31 31 A 31 PRO N A 31 PRO CA A 31 PRO C A 32 ARG N 1.0 -80.0 0.0 PSI 32 32 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 SER N 1.0 -80.0 0.0 PSI 33 33 A 33 SER N A 33 SER CA A 33 SER C A 34 CYS N 1.0 -80.0 0.0 PSI 34 34 A 34 CYS N A 34 CYS CA A 34 CYS C A 35 ASP N 1.0 -30.0 50.0 PSI 35 35 A 36 PHE HA A 36 PHE CA A 36 PHE CB A 36 PHE HB3 1.0 -80.0 -40.0 . 36 36 A 5 ASP HA A 5 ASP CA A 5 ASP CB A 5 ASP HB3 1.0 40.0 80.0 . stop_ save_