data_nef_c19581_2mg1 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 2mg1 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 LYS start . . 2 A 2 LYS middle . . 3 A 3 LYS middle . . 4 A 4 LEU middle . . 5 A 5 PHE middle . . 6 A 6 ILE middle . . 7 A 7 MET middle . . 8 A 8 ILE middle . . 9 A 9 VAL middle . . 10 A 10 GLY middle . false 11 A 11 GLY middle . false 12 A 12 LEU middle . . 13 A 13 VAL middle . . 14 A 14 GLY middle . false 15 A 15 LEU middle . . 16 A 16 ARG middle . . 17 A 17 ILE middle . . 18 A 18 VAL middle . . 19 A 19 PHE middle . . 20 A 20 ALA middle . . 21 A 21 VAL middle . . 22 A 22 LEU middle . . 23 A 23 SER middle . . 24 A 24 ILE middle . . 25 A 25 LYS middle . . 26 A 26 LYS middle . . 27 A 27 LYS 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 1 LYS HA H 1 3.60 0.01 A 1 LYS HBx H 1 1.67 0.01 A 1 LYS HBy H 1 1.94 0.01 A 1 LYS HDx H 1 1.76 0.01 A 1 LYS HDy H 1 1.76 0.01 A 1 LYS HEx H 1 3.06 0.01 A 1 LYS HEy H 1 3.06 0.01 A 1 LYS HGx H 1 1.53 0.01 A 1 LYS HGy H 1 1.58 0.01 A 1 LYS CA C 13 57.0 0.10 A 1 LYS CB C 13 35.9 0.10 A 1 LYS CD C 13 29.4 0.10 A 1 LYS CE C 13 42.2 0.10 A 1 LYS CG C 13 25.1 0.10 A 2 LYS HA H 1 4.21 0.01 A 2 LYS HBx H 1 1.90 0.01 A 2 LYS HBy H 1 1.90 0.01 A 2 LYS HDx H 1 1.77 0.01 A 2 LYS HDy H 1 1.77 0.01 A 2 LYS HEx H 1 3.03 0.01 A 2 LYS HEy H 1 3.03 0.01 A 2 LYS CA C 13 58.8 0.10 A 2 LYS CB C 13 33.1 0.10 A 3 LYS H H 1 8.17 0.01 A 3 LYS HA H 1 4.09 0.01 A 3 LYS HBx H 1 1.82 0.01 A 3 LYS HBy H 1 1.82 0.01 A 3 LYS HDx H 1 1.76 0.01 A 3 LYS HDy H 1 1.76 0.01 A 3 LYS HEx H 1 3.03 0.01 A 3 LYS HEy H 1 3.03 0.01 A 3 LYS HGx H 1 1.49 0.01 A 3 LYS HGy H 1 1.56 0.01 A 3 LYS CA C 13 59.1 0.10 A 3 LYS CB C 13 32.7 0.10 A 3 LYS CE C 13 42.1 0.10 A 3 LYS CG C 13 25.3 0.10 A 4 LEU H H 1 7.21 0.01 A 4 LEU HA H 1 4.29 0.01 A 4 LEU HBx H 1 1.65 0.01 A 4 LEU HBy H 1 1.75 0.01 A 4 LEU HDx% H 1 0.99 0.01 A 4 LEU HDy% H 1 0.92 0.01 A 4 LEU HG H 1 1.66 0.01 A 4 LEU CA C 13 57.4 0.10 A 4 LEU CB C 13 42.3 0.10 A 4 LEU CD1 C 13 23.0 0.10 A 4 LEU CD2 C 13 24.3 0.10 A 4 LEU CG C 13 27.1 0.10 A 5 PHE H H 1 7.67 0.01 A 5 PHE HA H 1 4.29 0.01 A 5 PHE HBx H 1 3.20 0.01 A 5 PHE HBy H 1 3.26 0.01 A 5 PHE HDx H 1 7.18 0.01 A 5 PHE HDy H 1 7.18 0.01 A 5 PHE HEx H 1 7.28 0.01 A 5 PHE HEy H 1 7.28 0.01 A 5 PHE HZ H 1 7.24 0.01 A 5 PHE CA C 13 61.3 0.10 A 5 PHE CB C 13 38.9 0.10 A 6 ILE H H 1 7.79 0.01 A 6 ILE HA H 1 3.72 0.01 A 6 ILE HB H 1 1.97 0.01 A 6 ILE HD1% H 1 0.92 0.01 A 6 ILE HG1x H 1 1.34 0.01 A 6 ILE HG1y H 1 1.74 0.01 A 6 ILE HG2% H 1 0.97 0.01 A 6 ILE CA C 13 64.4 0.10 A 6 ILE CB C 13 38.0 0.10 A 6 ILE CD1 C 13 12.1 0.10 A 6 ILE CG1 C 13 28.5 0.10 A 6 ILE CG2 C 13 16.7 0.10 A 7 MET H H 1 7.80 0.01 A 7 MET HA H 1 4.17 0.01 A 7 MET HBx H 1 2.23 0.01 A 7 MET HBy H 1 2.37 0.01 A 7 MET HE% H 1 2.09 0.01 A 7 MET HGx H 1 2.59 0.01 A 7 MET HGy H 1 2.78 0.01 A 7 MET CA C 13 58.7 0.10 A 7 MET CB C 13 32.5 0.10 A 7 MET CE C 13 15.8 0.10 A 7 MET CG C 13 31.9 0.10 A 8 ILE H H 1 8.19 0.01 A 8 ILE HA H 1 3.83 0.01 A 8 ILE HB H 1 1.98 0.01 A 8 ILE HD1% H 1 0.88 0.01 A 8 ILE HG1x H 1 1.15 0.01 A 8 ILE HG1y H 1 1.80 0.01 A 8 ILE HG2% H 1 0.91 0.01 A 8 ILE CA C 13 65.1 0.10 A 8 ILE CB C 13 38.4 0.10 A 8 ILE CD1 C 13 12.1 0.10 A 8 ILE CG1 C 13 28.5 0.10 A 8 ILE CG2 C 13 15.9 0.10 A 9 VAL H H 1 8.35 0.01 A 9 VAL HA H 1 3.64 0.01 A 9 VAL HB H 1 1.89 0.01 A 9 VAL HGx% H 1 0.85 0.01 A 9 VAL HGy% H 1 0.77 0.01 A 9 VAL CA C 13 67.0 0.10 A 9 VAL CB C 13 31.5 0.10 A 9 VAL CG1 C 13 20.4 0.10 A 9 VAL CG2 C 13 21.8 0.10 A 10 GLY H H 1 8.37 0.01 A 10 GLY HAx H 1 3.83 0.01 A 10 GLY HAy H 1 3.90 0.01 A 10 GLY CA C 13 46.9 0.10 A 11 GLY H H 1 7.80 0.01 A 11 GLY HAx H 1 3.94 0.01 A 11 GLY HAy H 1 4.01 0.01 A 11 GLY CA C 13 46.3 0.10 A 12 LEU H H 1 8.07 0.01 A 12 LEU HA H 1 4.26 0.01 A 12 LEU HBx H 1 1.59 0.01 A 12 LEU HBy H 1 2.04 0.01 A 12 LEU HDx% H 1 0.88 0.01 A 12 LEU HDy% H 1 0.91 0.01 A 12 LEU HG H 1 1.87 0.01 A 12 LEU CA C 13 57.8 0.10 A 12 LEU CB C 13 42.1 0.10 A 12 LEU CD1 C 13 22.0 0.10 A 12 LEU CD2 C 13 24.2 0.10 A 12 LEU CG C 13 26.7 0.10 A 13 VAL H H 1 8.45 0.01 A 13 VAL HA H 1 3.70 0.01 A 13 VAL HB H 1 2.19 0.01 A 13 VAL HGx% H 1 0.99 0.01 A 13 VAL HGy% H 1 1.07 0.01 A 13 VAL CA C 13 66.7 0.10 A 13 VAL CB C 13 31.9 0.10 A 13 VAL CG1 C 13 20.4 0.10 A 13 VAL CG2 C 13 21.8 0.10 A 14 GLY H H 1 7.90 0.01 A 14 GLY HAx H 1 3.88 0.01 A 14 GLY HAy H 1 3.88 0.01 A 14 GLY CA C 13 47.0 0.10 A 15 LEU H H 1 7.80 0.01 A 15 LEU HA H 1 4.12 0.01 A 15 LEU HBx H 1 1.63 0.01 A 15 LEU HBy H 1 1.83 0.01 A 15 LEU HDx% H 1 0.88 0.01 A 15 LEU HDy% H 1 0.92 0.01 A 15 LEU HG H 1 1.73 0.01 A 15 LEU CA C 13 57.7 0.10 A 15 LEU CB C 13 42.0 0.10 A 15 LEU CD1 C 13 22.7 0.10 A 15 LEU CD2 C 13 23.7 0.10 A 15 LEU CG C 13 26.7 0.10 A 16 ARG H H 1 7.75 0.01 A 16 ARG HA H 1 4.11 0.01 A 16 ARG HBx H 1 2.09 0.01 A 16 ARG HBy H 1 2.14 0.01 A 16 ARG HDx H 1 3.21 0.01 A 16 ARG HDy H 1 3.26 0.01 A 16 ARG HE H 1 7.10 0.01 A 16 ARG HGx H 1 1.81 0.01 A 16 ARG HGy H 1 1.93 0.01 A 16 ARG CA C 13 59.2 0.10 A 16 ARG CB C 13 29.4 0.10 A 16 ARG CD C 13 43.2 0.10 A 16 ARG CG C 13 27.3 0.10 A 17 ILE H H 1 7.91 0.01 A 17 ILE HA H 1 3.87 0.01 A 17 ILE HB H 1 2.14 0.01 A 17 ILE HD1% H 1 0.89 0.01 A 17 ILE HG1x H 1 1.18 0.01 A 17 ILE HG1y H 1 1.80 0.01 A 17 ILE HG2% H 1 0.97 0.01 A 17 ILE CA C 13 65.0 0.10 A 17 ILE CB C 13 37.9 0.10 A 17 ILE CG1 C 13 28.5 0.10 A 17 ILE CG2 C 13 16.3 0.10 A 18 VAL H H 1 8.03 0.01 A 18 VAL HA H 1 3.56 0.01 A 18 VAL HB H 1 2.19 0.01 A 18 VAL HGx% H 1 0.90 0.01 A 18 VAL HGy% H 1 1.07 0.01 A 18 VAL CA C 13 67.5 0.10 A 18 VAL CB C 13 31.6 0.10 A 18 VAL CG1 C 13 20.2 0.10 A 18 VAL CG2 C 13 22.0 0.10 A 19 PHE H H 1 8.37 0.01 A 19 PHE HA H 1 4.34 0.01 A 19 PHE HBx H 1 3.24 0.01 A 19 PHE HBy H 1 3.24 0.01 A 19 PHE HDx H 1 7.25 0.01 A 19 PHE HDy H 1 7.25 0.01 A 19 PHE HEx H 1 7.27 0.01 A 19 PHE HEy H 1 7.27 0.01 A 19 PHE CA C 13 61.0 0.10 A 19 PHE CB C 13 38.4 0.10 A 20 ALA H H 1 8.19 0.01 A 20 ALA HA H 1 4.15 0.01 A 20 ALA HB% H 1 1.69 0.01 A 20 ALA CA C 13 55.9 0.10 A 20 ALA CB C 13 17.4 0.10 A 21 VAL H H 1 8.69 0.01 A 21 VAL HA H 1 3.63 0.01 A 21 VAL HB H 1 2.29 0.01 A 21 VAL HGx% H 1 0.96 0.01 A 21 VAL HGy% H 1 1.12 0.01 A 21 VAL CA C 13 67.3 0.10 A 21 VAL CB C 13 31.7 0.10 A 21 VAL CG1 C 13 20.5 0.10 A 21 VAL CG2 C 13 21.8 0.10 A 22 LEU H H 1 8.91 0.01 A 22 LEU HA H 1 4.05 0.01 A 22 LEU HBx H 1 1.46 0.01 A 22 LEU HBy H 1 1.94 0.01 A 22 LEU HDx% H 1 0.86 0.01 A 22 LEU HDy% H 1 0.85 0.01 A 22 LEU HG H 1 1.94 0.01 A 22 LEU CA C 13 58.4 0.10 A 22 LEU CB C 13 41.7 0.10 A 22 LEU CD1 C 13 21.8 0.10 A 22 LEU CD2 C 13 24.5 0.10 A 22 LEU CG C 13 26.6 0.10 A 23 SER H H 1 8.07 0.01 A 23 SER HA H 1 4.13 0.01 A 23 SER HBx H 1 3.86 0.01 A 23 SER HBy H 1 4.16 0.01 A 23 SER CA C 13 62.5 0.10 A 23 SER CB C 13 62.7 0.10 A 24 ILE H H 1 8.10 0.01 A 24 ILE HA H 1 3.83 0.01 A 24 ILE HB H 1 2.09 0.01 A 24 ILE HD1% H 1 0.90 0.01 A 24 ILE HG1x H 1 1.16 0.01 A 24 ILE HG1y H 1 1.85 0.01 A 24 ILE HG2% H 1 0.97 0.01 A 24 ILE CA C 13 64.9 0.10 A 24 ILE CB C 13 38.3 0.10 A 24 ILE CG1 C 13 28.8 0.10 A 25 LYS H H 1 8.54 0.01 A 25 LYS HA H 1 4.12 0.01 A 25 LYS HBx H 1 1.96 0.01 A 25 LYS HBy H 1 2.05 0.01 A 25 LYS HDx H 1 1.71 0.01 A 25 LYS HDy H 1 1.71 0.01 A 25 LYS HEx H 1 2.96 0.01 A 25 LYS HEy H 1 2.96 0.01 A 25 LYS HGx H 1 1.58 0.01 A 25 LYS HGy H 1 1.63 0.01 A 25 LYS CA C 13 58.6 0.10 A 25 LYS CB C 13 32.0 0.10 A 25 LYS CD C 13 28.8 0.10 A 25 LYS CE C 13 42.0 0.10 A 25 LYS CG C 13 24.8 0.10 A 26 LYS H H 1 8.35 0.01 A 26 LYS HA H 1 4.20 0.01 A 26 LYS HBx H 1 1.99 0.01 A 26 LYS HBy H 1 1.99 0.01 A 26 LYS HDx H 1 1.75 0.01 A 26 LYS HDy H 1 1.75 0.01 A 26 LYS HGx H 1 1.58 0.01 A 26 LYS HGy H 1 1.58 0.01 A 26 LYS CA C 13 57.8 0.10 A 26 LYS CB C 13 32.4 0.10 A 26 LYS CG C 13 24.8 0.10 A 27 LYS H H 1 7.85 0.01 A 27 LYS HA H 1 4.21 0.01 A 27 LYS HBx H 1 2.01 0.01 A 27 LYS HBy H 1 2.01 0.01 A 27 LYS HDx H 1 1.76 0.01 A 27 LYS HDy H 1 1.76 0.01 A 27 LYS HEx H 1 3.06 0.01 A 27 LYS HEy H 1 3.06 0.01 A 27 LYS HGx H 1 1.58 0.01 A 27 LYS HGy H 1 1.65 0.01 A 27 LYS CA C 13 57.3 0.10 A 27 LYS CB C 13 32.7 0.10 A 27 LYS CD C 13 29.0 0.10 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 27 LYS H A 27 LYS HGx 1.0 . 5.50 2 2 A 27 LYS H A 27 LYS HGy 1.0 . 5.50 3 3 A 27 LYS H A 26 LYS HDx 1.0 . 5.50 4 3 A 27 LYS H A 26 LYS HDy 1.0 . 5.50 5 4 A 27 LYS H A 27 LYS HDx 1.0 . 5.50 6 4 A 27 LYS H A 27 LYS HDy 1.0 . 5.50 7 5 A 4 LEU H A 4 LEU HBx 1.0 . 3.63 8 6 A 4 LEU H A 4 LEU HBy 1.0 . 3.63 9 7 A 6 ILE HB A 7 MET H 1.0 . 5.50 10 8 A 6 ILE H A 6 ILE HG2% 1.0 . 4.16 11 9 A 7 MET H A 6 ILE HG2% 1.0 . 4.47 12 10 A 7 MET H A 7 MET HGy 1.0 . 3.99 13 11 A 7 MET H A 7 MET HGx 1.0 . 3.99 14 12 A 8 ILE HA A 8 ILE HG1x 1.0 . 3.23 15 13 A 24 ILE HA A 24 ILE HG1x 1.0 . 3.44 16 14 A 24 ILE HA A 24 ILE HG2% 1.0 . 3.25 17 15 A 8 ILE HG1x A 8 ILE H 1.0 . 3.60 18 16 A 22 LEU H A 22 LEU HBx 1.0 . 2.95 19 17 A 22 LEU H A 22 LEU HBy 1.0 . 3.69 20 18 A 21 VAL H A 21 VAL HB 1.0 . 3.15 21 19 A 25 LYS H A 25 LYS HBx 1.0 . 3.50 22 20 A 25 LYS H A 25 LYS HBy 1.0 . 3.50 23 21 A 25 LYS H A 25 LYS HDx 1.0 . 4.84 24 21 A 25 LYS H A 25 LYS HDy 1.0 . 4.84 25 22 A 25 LYS H A 25 LYS HGx 1.0 . 4.01 26 23 A 25 LYS H A 25 LYS HGy 1.0 . 4.01 27 24 A 8 ILE HB A 9 VAL H 1.0 . 3.05 28 25 A 26 LYS H A 26 LYS HBx 1.0 . 3.19 29 25 A 26 LYS H A 26 LYS HBy 1.0 . 3.19 30 26 A 9 VAL H A 9 VAL HB 1.0 . 3.71 31 27 A 12 LEU H A 12 LEU HG 1.0 . 5.50 32 28 A 21 VAL H A 21 VAL HGx% 1.0 . 3.84 33 29 A 21 VAL H A 21 VAL HGy% 1.0 . 3.11 34 30 A 9 VAL H A 9 VAL HGy% 1.0 . 3.12 35 31 A 9 VAL H A 9 VAL HGx% 1.0 . 3.12 36 32 A 24 ILE HG2% A 24 ILE H 1.0 . 3.00 37 33 A 18 VAL H A 18 VAL HGy% 1.0 . 3.91 38 34 A 18 VAL H A 18 VAL HGx% 1.0 . 3.91 39 35 A 14 GLY H A 13 VAL HGx% 1.0 . 4.23 40 36 A 17 ILE H A 17 ILE HG2% 1.0 . 4.52 41 37 A 13 VAL H A 13 VAL HGy% 1.0 . 4.20 42 38 A 18 VAL HA A 18 VAL HGx% 1.0 . 2.96 43 39 A 24 ILE HG2% A 21 VAL HA 1.0 . 3.20 44 40 A 4 LEU H A 3 LYS H 1.0 . 3.90 45 41 A 21 VAL H A 20 ALA H 1.0 . 3.49 46 42 A 7 MET H A 8 ILE H 1.0 . 3.39 47 43 A 18 VAL H A 19 PHE H 1.0 . 3.62 48 44 A 22 LEU H A 20 ALA H 1.0 . 4.89 49 45 A 10 GLY H A 11 GLY H 1.0 . 3.39 50 46 A 25 LYS H A 26 LYS H 1.0 . 3.56 51 47 A 8 ILE H A 9 VAL H 1.0 . 3.45 52 48 A 20 ALA H A 19 PHE H 1.0 . 3.67 53 49 A 22 LEU H A 22 LEU HDx% 1.0 . 5.07 54 50 A 22 LEU H A 22 LEU HDy% 1.0 . 5.07 55 51 A 22 LEU H A 21 VAL HGx% 1.0 . 3.81 56 52 A 22 LEU H A 21 VAL HGy% 1.0 . 4.10 57 53 A 24 ILE HG2% A 25 LYS H 1.0 . 3.80 58 54 A 13 VAL H A 13 VAL HGx% 1.0 . 4.20 59 55 A 13 VAL H A 12 LEU HDy% 1.0 . 5.50 60 56 A 18 VAL H A 17 ILE HG2% 1.0 . 3.98 61 57 A 17 ILE H A 17 ILE HD1% 1.0 . 3.73 62 58 A 27 LYS H A 24 ILE HG2% 1.0 . 4.78 63 59 A 16 ARG H A 13 VAL HGy% 1.0 . 5.50 64 60 A 14 GLY H A 13 VAL HGy% 1.0 . 4.23 65 61 A 8 ILE HG1x A 9 VAL H 1.0 . 5.13 66 62 A 21 VAL H A 20 ALA HB% 1.0 . 3.37 67 63 A 22 LEU H A 20 ALA HB% 1.0 . 4.94 68 64 A 22 LEU HBy A 23 SER H 1.0 . 4.15 69 65 A 3 LYS H A 3 LYS HGy 1.0 . 5.50 70 66 A 22 LEU HBx A 21 VAL H 1.0 . 4.76 71 67 A 12 LEU HG A 13 VAL H 1.0 . 4.86 72 68 A 19 PHE H A 20 ALA HB% 1.0 . 4.42 73 69 A 24 ILE H A 20 ALA HB% 1.0 . 4.84 74 70 A 16 ARG H A 15 LEU HBx 1.0 . 5.50 75 71 A 5 PHE H A 4 LEU HBx 1.0 . 3.96 76 72 A 17 ILE H A 20 ALA HB% 1.0 . 5.50 77 73 A 16 ARG H A 15 LEU HBy 1.0 . 5.50 78 74 A 16 ARG H A 16 ARG HGx 1.0 . 5.50 79 75 A 13 VAL H A 12 LEU HBy 1.0 . 4.00 80 76 A 19 PHE H A 18 VAL HB 1.0 . 3.34 81 77 A 22 LEU H A 21 VAL HB 1.0 . 3.44 82 78 A 8 ILE H A 7 MET HBx 1.0 . 3.95 83 79 A 8 ILE H A 7 MET HBy 1.0 . 3.95 84 80 A 6 ILE H A 5 PHE HBy 1.0 . 3.81 85 81 A 22 LEU H A 18 VAL HA 1.0 . 4.33 86 82 A 21 VAL H A 18 VAL HA 1.0 . 3.98 87 83 A 25 LYS H A 21 VAL HA 1.0 . 4.45 88 84 A 24 ILE H A 21 VAL HA 1.0 . 3.96 89 85 A 18 VAL HA A 20 ALA H 1.0 . 4.84 90 86 A 8 ILE H A 9 VAL HA 1.0 . 5.50 91 87 A 21 VAL HA A 20 ALA H 1.0 . 5.50 92 88 A 8 ILE H A 6 ILE HA 1.0 . 4.67 93 89 A 9 VAL H A 6 ILE HA 1.0 . 3.81 94 90 A 21 VAL H A 17 ILE HA 1.0 . 4.82 95 91 A 18 VAL H A 15 LEU HA 1.0 . 3.89 96 92 A 26 LYS H A 22 LEU HA 1.0 . 4.78 97 93 A 27 LYS H A 25 LYS HA 1.0 . 4.07 98 94 A 27 LYS H A 24 ILE HA 1.0 . 5.50 99 95 A 17 ILE H A 18 VAL HA 1.0 . 5.24 100 96 A 11 GLY H A 9 VAL HA 1.0 . 5.50 101 97 A 23 SER H A 23 SER HBx 1.0 . 3.56 102 98 A 18 VAL H A 14 GLY HAx 1.0 . 4.37 103 98 A 18 VAL H A 14 GLY HAy 1.0 . 4.37 104 99 A 13 VAL H A 10 GLY HAy 1.0 . 5.36 105 100 A 13 VAL H A 10 GLY HAx 1.0 . 4.89 106 101 A 4 LEU H A 5 PHE H 1.0 . 3.44 107 102 A 27 LYS H A 26 LYS H 1.0 . 3.53 108 103 A 25 LYS H A 24 ILE H 1.0 . 3.45 109 104 A 25 LYS H A 23 SER H 1.0 . 4.67 110 105 A 12 LEU H A 13 VAL H 1.0 . 3.50 111 106 A 8 ILE HB A 5 PHE HA 1.0 . 3.82 112 107 A 9 VAL HB A 6 ILE HA 1.0 . 4.81 113 108 A 9 VAL HB A 9 VAL HA 1.0 . 2.72 114 109 A 21 VAL HB A 18 VAL HA 1.0 . 3.23 115 110 A 21 VAL HA A 24 ILE HB 1.0 . 3.85 116 111 A 10 GLY HAx A 13 VAL HB 1.0 . 3.33 117 112 A 6 ILE HA A 6 ILE HG1x 1.0 . 3.69 118 113 A 17 ILE HA A 17 ILE HG1x 1.0 . 3.87 119 114 A 21 VAL HGy% A 21 VAL HA 1.0 . 2.90 120 115 A 15 LEU HA A 18 VAL HGy% 1.0 . 4.19 121 116 A 13 VAL HA A 13 VAL HGy% 1.0 . 3.15 122 117 A 18 VAL HA A 18 VAL HGy% 1.0 . 2.96 123 118 A 13 VAL HA A 13 VAL HGx% 1.0 . 3.15 124 119 A 17 ILE HG2% A 17 ILE HA 1.0 . 3.06 125 120 A 17 ILE HG2% A 18 VAL HA 1.0 . 3.69 126 121 A 21 VAL HGx% A 21 VAL HA 1.0 . 3.17 127 122 A 3 LYS HA A 6 ILE HD1% 1.0 . 3.31 128 123 A 8 ILE HA A 8 ILE HG2% 1.0 . 2.85 129 124 A 17 ILE HD1% A 14 GLY HAx 1.0 . 4.05 130 124 A 17 ILE HD1% A 14 GLY HAy 1.0 . 4.05 131 125 A 15 LEU HA A 15 LEU HDx% 1.0 . 3.19 132 126 A 9 VAL HA A 9 VAL HGx% 1.0 . 3.36 133 127 A 6 ILE HA A 9 VAL HGy% 1.0 . 4.29 134 128 A 9 VAL HA A 9 VAL HGy% 1.0 . 3.36 135 129 A 22 LEU HBx A 19 PHE HA 1.0 . 3.43 136 130 A 2 LYS HA A 2 LYS HBx 1.0 . 2.40 137 130 A 2 LYS HA A 2 LYS HBy 1.0 . 2.40 138 131 A 8 ILE HA A 8 ILE HG1y 1.0 . 3.10 139 132 A 6 ILE HA A 6 ILE HG1y 1.0 . 3.69 140 133 A 20 ALA HB% A 17 ILE HA 1.0 . 3.10 141 134 A 7 MET HA A 7 MET HGy 1.0 . 3.80 142 135 A 7 MET HA A 7 MET HGx 1.0 . 3.80 143 136 A 4 LEU HA A 7 MET HBy 1.0 . 4.27 144 137 A 15 LEU HA A 18 VAL HGx% 1.0 . 4.19 145 138 A 24 ILE HG2% A 25 LYS HA 1.0 . 3.78 146 139 A 15 LEU HA A 15 LEU HDy% 1.0 . 3.19 147 140 A 12 LEU HDy% A 12 LEU HA 1.0 . 2.88 148 141 A 19 PHE H A 19 PHE HBx 1.0 . 2.99 149 141 A 19 PHE H A 19 PHE HBy 1.0 . 2.99 150 142 A 26 LYS H A 23 SER HA 1.0 . 3.87 151 143 A 10 GLY H A 6 ILE HA 1.0 . 4.51 152 144 A 8 ILE H A 5 PHE HA 1.0 . 3.92 153 145 A 20 ALA H A 17 ILE HA 1.0 . 4.09 154 146 A 20 ALA H A 19 PHE HBx 1.0 . 3.47 155 146 A 20 ALA H A 19 PHE HBy 1.0 . 3.47 156 147 A 12 LEU H A 9 VAL HA 1.0 . 3.80 157 148 A 23 SER H A 23 SER HBy 1.0 . 3.56 158 149 A 14 GLY H A 14 GLY HAx 1.0 . 2.72 159 149 A 14 GLY H A 14 GLY HAy 1.0 . 2.72 160 150 A 7 MET H A 4 LEU HA 1.0 . 4.18 161 151 A 6 ILE H A 5 PHE HBx 1.0 . 3.81 162 152 A 5 PHE H A 5 PHE HBy 1.0 . 3.46 163 153 A 5 PHE H A 5 PHE HBx 1.0 . 3.46 164 154 A 22 LEU H A 21 VAL H 1.0 . 3.57 165 155 A 22 LEU H A 23 SER H 1.0 . 3.58 166 156 A 6 ILE H A 5 PHE H 1.0 . 3.29 167 157 A 22 LEU H A 19 PHE HA 1.0 . 4.55 168 158 A 21 VAL HGy% A 18 VAL HA 1.0 . 3.66 169 159 A 19 PHE HA A 19 PHE HD% 1.0 . 3.86 170 160 A 19 PHE H A 19 PHE HD% 1.0 . 4.33 171 161 A 18 VAL H A 17 ILE H 1.0 . 3.30 172 162 A 18 VAL H A 17 ILE HB 1.0 . 5.50 173 163 A 16 ARG H A 16 ARG HDy 1.0 . 5.00 174 164 A 16 ARG H A 16 ARG HDx 1.0 . 5.00 175 165 A 17 ILE H A 16 ARG H 1.0 . 3.39 176 166 A 13 VAL H A 15 LEU H 1.0 . 4.48 177 167 A 5 PHE H A 4 LEU HDx% 1.0 . 5.35 178 168 A 5 PHE H A 4 LEU HDy% 1.0 . 5.35 179 169 A 5 PHE H A 6 ILE HD1% 1.0 . 5.50 180 170 A 5 PHE H A 4 LEU HBy 1.0 . 3.96 181 171 A 6 ILE HB A 5 PHE H 1.0 . 5.50 182 172 A 5 PHE H A 2 LYS HBx 1.0 . 5.04 183 172 A 5 PHE H A 2 LYS HBy 1.0 . 5.04 184 173 A 5 PHE H A 2 LYS HA 1.0 . 4.28 185 174 A 5 PHE H A 3 LYS HA 1.0 . 4.72 186 175 A 4 LEU HA A 7 MET HBx 1.0 . 4.27 187 176 A 4 LEU HA A 7 MET HGy 1.0 . 5.09 188 177 A 4 LEU HA A 7 MET HGx 1.0 . 5.09 189 178 A 22 LEU HBx A 23 SER H 1.0 . 5.50 190 179 A 6 ILE HA A 5 PHE HD% 1.0 . 4.48 191 180 A 13 VAL H A 9 VAL HA 1.0 . 4.53 192 181 A 6 ILE HA A 9 VAL HGx% 1.0 . 4.29 193 182 A 16 ARG H A 13 VAL HA 1.0 . 5.50 194 183 A 6 ILE HG2% A 6 ILE HA 1.0 . 3.44 195 184 A 6 ILE HA A 6 ILE HD1% 1.0 . 4.39 196 185 A 14 GLY H A 15 LEU H 1.0 . 3.30 197 186 A 25 LYS H A 22 LEU HA 1.0 . 4.00 198 187 A 5 PHE HA A 5 PHE HD% 1.0 . 3.39 199 188 A 5 PHE H A 6 ILE HA 1.0 . 5.47 200 189 A 16 ARG H A 14 GLY HAx 1.0 . 5.50 201 189 A 16 ARG H A 14 GLY HAy 1.0 . 5.50 202 190 A 13 VAL H A 12 LEU HBx 1.0 . 4.00 203 191 A 14 GLY H A 13 VAL H 1.0 . 3.49 204 192 A 13 VAL H A 13 VAL HB 1.0 . 3.17 205 193 A 14 GLY H A 13 VAL HB 1.0 . 5.50 206 194 A 12 LEU H A 11 GLY H 1.0 . 3.29 207 195 A 22 LEU HBy A 19 PHE HA 1.0 . 3.97 208 196 A 8 ILE H A 8 ILE HG1y 1.0 . 5.50 209 197 A 9 VAL H A 8 ILE HG1y 1.0 . 4.23 210 198 A 25 LYS H A 24 ILE HB 1.0 . 4.03 211 199 A 17 ILE HA A 17 ILE HG1y 1.0 . 3.87 212 200 A 24 ILE HA A 24 ILE HG1y 1.0 . 3.44 213 201 A 17 ILE HD1% A 17 ILE HA 1.0 . 3.89 214 202 A 24 ILE HA A 24 ILE HD1% 1.0 . 3.73 215 203 A 17 ILE HG2% A 20 ALA H 1.0 . 4.88 216 204 A 8 ILE H A 8 ILE HG2% 1.0 . 3.82 217 205 A 24 ILE H A 24 ILE HD1% 1.0 . 5.50 218 206 A 8 ILE H A 8 ILE HD1% 1.0 . 3.76 219 207 A 8 ILE HD1% A 5 PHE HE% 1.0 . 5.50 220 208 A 8 ILE HG2% A 5 PHE HE% 1.0 . 5.50 221 209 A 5 PHE HD% A 8 ILE HD1% 1.0 . 5.50 222 210 A 6 ILE HD1% A 5 PHE HD% 1.0 . 4.70 223 211 A 6 ILE HG2% A 5 PHE HD% 1.0 . 5.04 224 212 A 8 ILE HB A 5 PHE HD% 1.0 . 4.64 225 213 A 5 PHE HD% A 2 LYS HBx 1.0 . 5.50 226 213 A 2 LYS HBy A 5 PHE HD% 1.0 . 5.50 227 214 A 9 VAL HB A 5 PHE HD% 1.0 . 5.50 228 215 A 22 LEU HBx A 19 PHE HD% 1.0 . 4.63 229 216 A 2 LYS HA A 5 PHE HD% 1.0 . 4.56 230 217 A 19 PHE HD% A 16 ARG HA 1.0 . 4.21 231 218 A 12 LEU H A 10 GLY H 1.0 . 4.73 232 219 A 19 PHE H A 15 LEU HA 1.0 . 4.37 233 220 A 19 PHE H A 16 ARG HA 1.0 . 4.68 234 221 A 26 LYS H A 26 LYS HGx 1.0 . 4.08 235 221 A 26 LYS H A 26 LYS HGy 1.0 . 4.08 236 222 A 14 GLY H A 10 GLY HAx 1.0 . 5.50 237 223 A 10 GLY H A 7 MET HA 1.0 . 3.99 238 224 A 4 LEU H A 2 LYS HA 1.0 . 5.25 239 225 A 13 VAL H A 12 LEU HDx% 1.0 . 4.01 240 226 A 5 PHE HA A 8 ILE HD1% 1.0 . 3.89 241 227 A 8 ILE HG1x A 5 PHE HA 1.0 . 5.37 242 228 A 5 PHE HA A 8 ILE HG1y 1.0 . 5.50 243 229 A 6 ILE HG2% A 7 MET HA 1.0 . 4.54 244 230 A 6 ILE HG2% A 3 LYS HA 1.0 . 4.60 245 231 A 24 ILE HG2% A 22 LEU HA 1.0 . 5.50 246 232 A 24 ILE HG2% A 25 LYS HEx 1.0 . 4.68 247 232 A 24 ILE HG2% A 25 LYS HEy 1.0 . 4.68 248 233 A 22 LEU HBx A 21 VAL HB 1.0 . 5.21 249 234 A 21 VAL HB A 22 LEU HG 1.0 . 5.50 250 235 A 21 VAL HGy% A 20 ALA HB% 1.0 . 3.96 251 236 A 22 LEU HBy A 22 LEU HDx% 1.0 . 3.62 252 237 A 22 LEU HBy A 22 LEU HDy% 1.0 . 3.62 253 238 A 25 LYS HA A 25 LYS HDx 1.0 . 5.50 254 238 A 25 LYS HDy A 25 LYS HA 1.0 . 5.50 255 239 A 12 LEU HA A 15 LEU HG 1.0 . 5.50 256 240 A 15 LEU HBx A 12 LEU HA 1.0 . 5.50 257 241 A 22 LEU H A 24 ILE H 1.0 . 4.83 258 242 A 21 VAL H A 19 PHE H 1.0 . 4.65 259 243 A 21 VAL H A 23 SER H 1.0 . 4.27 260 244 A 27 LYS H A 25 LYS H 1.0 . 4.97 261 245 A 17 ILE H A 19 PHE H 1.0 . 4.46 262 246 A 26 LYS H A 24 ILE H 1.0 . 4.71 263 247 A 18 VAL H A 20 ALA H 1.0 . 4.52 264 248 A 18 VAL H A 16 ARG H 1.0 . 4.35 265 249 A 4 LEU H A 6 ILE H 1.0 . 4.45 266 250 A 19 PHE HD% A 20 ALA HA 1.0 . 4.56 267 251 A 16 ARG H A 16 ARG HGy 1.0 . 5.50 268 252 A 16 ARG H A 15 LEU HG 1.0 . 5.50 269 253 A 12 LEU H A 12 LEU HDy% 1.0 . 3.00 270 254 A 12 LEU H A 12 LEU HDx% 1.0 . 4.29 271 255 A 24 ILE HG2% A 23 SER H 1.0 . 5.25 272 256 A 17 ILE HD1% A 16 ARG H 1.0 . 5.50 273 257 A 12 LEU HA A 12 LEU HDx% 1.0 . 2.69 274 258 A 21 VAL HGx% A 22 LEU HA 1.0 . 3.68 275 259 A 18 VAL HB A 15 LEU HA 1.0 . 5.50 276 260 A 15 LEU HBy A 12 LEU HA 1.0 . 5.50 277 261 A 13 VAL HB A 14 GLY HAx 1.0 . 5.50 278 261 A 14 GLY HAy A 13 VAL HB 1.0 . 5.50 279 262 A 10 GLY HAy A 13 VAL HB 1.0 . 4.95 280 263 A 22 LEU HBx A 18 VAL HA 1.0 . 5.50 281 264 A 18 VAL HA A 22 LEU HG 1.0 . 5.50 282 265 A 21 VAL HA A 20 ALA HB% 1.0 . 5.50 283 266 A 24 ILE HA A 27 LYS HGx 1.0 . 4.58 284 267 A 24 ILE HA A 27 LYS HGy 1.0 . 4.58 285 268 A 1 LYS HA A 1 LYS HGx 1.0 . 4.00 286 269 A 1 LYS HA A 1 LYS HDx 1.0 . 4.39 287 269 A 1 LYS HA A 1 LYS HDy 1.0 . 4.39 288 270 A 1 LYS HA A 1 LYS HGy 1.0 . 4.00 289 271 A 6 ILE H A 6 ILE HD1% 1.0 . 3.75 290 272 A 16 ARG H A 13 VAL HGx% 1.0 . 5.50 291 273 A 16 ARG HA A 19 PHE HBx 1.0 . 5.50 292 273 A 19 PHE HBy A 16 ARG HA 1.0 . 5.50 293 274 A 27 LYS H A 26 LYS HBx 1.0 . 5.50 294 274 A 27 LYS H A 26 LYS HBy 1.0 . 5.50 295 275 A 3 LYS H A 3 LYS HGx 1.0 . 5.50 296 276 A 3 LYS HA A 3 LYS HDx 1.0 . 5.50 297 276 A 3 LYS HA A 3 LYS HDy 1.0 . 5.50 298 277 A 4 LEU H A 3 LYS HGx 1.0 . 4.79 299 278 A 4 LEU H A 3 LYS HGy 1.0 . 4.79 300 279 A 4 LEU H A 3 LYS HBx 1.0 . 4.45 301 279 A 4 LEU H A 3 LYS HBy 1.0 . 4.45 302 280 A 3 LYS H A 2 LYS HBx 1.0 . 5.50 303 280 A 3 LYS H A 2 LYS HBy 1.0 . 5.50 304 281 A 26 LYS HA A 26 LYS HDx 1.0 . 5.50 305 281 A 26 LYS HDy A 26 LYS HA 1.0 . 5.50 306 282 A 2 LYS HA A 2 LYS HEx 1.0 . 4.10 307 282 A 2 LYS HA A 2 LYS HEy 1.0 . 4.10 308 283 A 3 LYS HA A 3 LYS HEx 1.0 . 5.50 309 283 A 3 LYS HA A 3 LYS HEy 1.0 . 5.50 310 284 A 27 LYS HA A 27 LYS HEx 1.0 . 5.50 311 284 A 27 LYS HA A 27 LYS HEy 1.0 . 5.50 312 285 A 2 LYS HA A 2 LYS HDx 1.0 . 5.50 313 285 A 2 LYS HA A 2 LYS HDy 1.0 . 5.50 314 286 A 27 LYS HA A 27 LYS HDx 1.0 . 5.50 315 286 A 27 LYS HDy A 27 LYS HA 1.0 . 5.50 316 287 A 22 LEU HA A 25 LYS HGy 1.0 . 5.50 317 288 A 22 LEU HA A 25 LYS HGx 1.0 . 5.50 318 289 A 1 LYS HA A 1 LYS HGy 1.0 . 3.40 319 289 A 1 LYS HA A 1 LYS HGx 1.0 . 3.40 320 290 A 2 LYS HA A 5 PHE HBy 1.0 . 2.90 321 290 A 2 LYS HA A 5 PHE HBx 1.0 . 2.90 322 291 A 3 LYS HA A 3 LYS HGy 1.0 . 3.45 323 291 A 3 LYS HA A 3 LYS HGx 1.0 . 3.45 324 292 A 3 LYS HA A 6 ILE HG1y 1.0 . 4.88 325 292 A 3 LYS HA A 6 ILE HG1x 1.0 . 4.88 326 293 A 4 LEU H A 3 LYS HGy 1.0 . 4.10 327 293 A 4 LEU H A 3 LYS HGx 1.0 . 4.10 328 294 A 4 LEU H A 4 LEU HBy 1.0 . 3.05 329 294 A 4 LEU H A 4 LEU HBx 1.0 . 3.05 330 295 A 4 LEU H A 4 LEU HDx% 1.0 . 2.84 331 295 A 4 LEU H A 4 LEU HDy% 1.0 . 2.84 332 296 A 4 LEU HA A 4 LEU HDx% 1.0 . 2.38 333 296 A 4 LEU HA A 4 LEU HDy% 1.0 . 2.38 334 297 A 4 LEU HA A 7 MET HBx 1.0 . 3.41 335 297 A 4 LEU HA A 7 MET HBy 1.0 . 3.41 336 298 A 4 LEU HA A 7 MET HGx 1.0 . 4.24 337 298 A 4 LEU HA A 7 MET HGy 1.0 . 4.24 338 299 A 5 PHE HD% A 4 LEU HBy 1.0 . 5.34 339 299 A 5 PHE HD% A 4 LEU HBx 1.0 . 5.34 340 300 A 5 PHE H A 4 LEU HDx% 1.0 . 4.61 341 300 A 5 PHE H A 4 LEU HDy% 1.0 . 4.61 342 301 A 5 PHE H A 5 PHE HBy 1.0 . 3.03 343 301 A 5 PHE H A 5 PHE HBx 1.0 . 3.03 344 302 A 5 PHE HA A 9 VAL HGx% 1.0 . 4.52 345 302 A 5 PHE HA A 9 VAL HGy% 1.0 . 4.52 346 303 A 5 PHE HBx A 9 VAL HGx% 1.0 . 4.35 347 303 A 5 PHE HBy A 9 VAL HGx% 1.0 . 4.35 348 303 A 9 VAL HGy% A 5 PHE HBy 1.0 . 4.35 349 303 A 5 PHE HBx A 9 VAL HGy% 1.0 . 4.35 350 304 A 5 PHE HD% A 6 ILE HG1y 1.0 . 4.57 351 304 A 5 PHE HD% A 6 ILE HG1x 1.0 . 4.57 352 305 A 5 PHE HD% A 9 VAL HGx% 1.0 . 4.10 353 305 A 5 PHE HD% A 9 VAL HGy% 1.0 . 4.10 354 306 A 5 PHE HE% A 9 VAL HGx% 1.0 . 4.26 355 306 A 5 PHE HE% A 9 VAL HGy% 1.0 . 4.26 356 307 A 5 PHE HZ A 9 VAL HGx% 1.0 . 4.74 357 307 A 9 VAL HGy% A 5 PHE HZ 1.0 . 4.74 358 308 A 6 ILE H A 6 ILE HG1y 1.0 . 3.61 359 308 A 6 ILE H A 6 ILE HG1x 1.0 . 3.61 360 309 A 6 ILE H A 9 VAL HGx% 1.0 . 5.07 361 309 A 6 ILE H A 9 VAL HGy% 1.0 . 5.07 362 310 A 6 ILE HA A 6 ILE HG1y 1.0 . 3.20 363 310 A 6 ILE HA A 6 ILE HG1x 1.0 . 3.20 364 311 A 6 ILE HA A 9 VAL HGx% 1.0 . 3.61 365 311 A 6 ILE HA A 9 VAL HGy% 1.0 . 3.61 366 312 A 6 ILE HB A 9 VAL HGx% 1.0 . 4.93 367 312 A 6 ILE HB A 9 VAL HGy% 1.0 . 4.93 368 313 A 7 MET H A 7 MET HBx 1.0 . 3.21 369 313 A 7 MET H A 7 MET HBy 1.0 . 3.21 370 314 A 7 MET H A 7 MET HGx 1.0 . 3.35 371 314 A 7 MET H A 7 MET HGy 1.0 . 3.35 372 315 A 7 MET H A 9 VAL HGx% 1.0 . 5.44 373 315 A 7 MET H A 9 VAL HGy% 1.0 . 5.44 374 316 A 7 MET HA A 7 MET HGx 1.0 . 3.24 375 316 A 7 MET HA A 7 MET HGy 1.0 . 3.24 376 317 A 7 MET HE% A 7 MET HBx 1.0 . 4.30 377 317 A 7 MET HBy A 7 MET HE% 1.0 . 4.30 378 318 A 8 ILE H A 7 MET HBx 1.0 . 3.46 379 318 A 8 ILE H A 7 MET HBy 1.0 . 3.46 380 319 A 8 ILE H A 7 MET HGx 1.0 . 5.14 381 319 A 8 ILE H A 7 MET HGy 1.0 . 5.14 382 320 A 8 ILE H A 9 VAL HGx% 1.0 . 4.85 383 320 A 8 ILE H A 9 VAL HGy% 1.0 . 4.85 384 321 A 8 ILE HB A 9 VAL HGx% 1.0 . 5.14 385 321 A 8 ILE HB A 9 VAL HGy% 1.0 . 5.14 386 322 A 9 VAL H A 9 VAL HGx% 1.0 . 2.72 387 322 A 9 VAL H A 9 VAL HGy% 1.0 . 2.72 388 323 A 9 VAL HA A 9 VAL HGx% 1.0 . 2.60 389 323 A 9 VAL HA A 9 VAL HGy% 1.0 . 2.60 390 324 A 9 VAL HA A 12 LEU HBy 1.0 . 3.28 391 324 A 9 VAL HA A 12 LEU HBx 1.0 . 3.28 392 325 A 12 LEU H A 9 VAL HGx% 1.0 . 5.44 393 325 A 12 LEU H A 9 VAL HGy% 1.0 . 5.44 394 326 A 13 VAL H A 9 VAL HGx% 1.0 . 4.96 395 326 A 13 VAL H A 9 VAL HGy% 1.0 . 4.96 396 327 A 9 VAL HGy% A 13 VAL HGx% 1.0 . 4.85 397 327 A 9 VAL HGx% A 13 VAL HGx% 1.0 . 4.85 398 327 A 13 VAL HGy% A 9 VAL HGx% 1.0 . 4.85 399 327 A 9 VAL HGy% A 13 VAL HGy% 1.0 . 4.85 400 328 A 10 GLY HAx A 13 VAL HGx% 1.0 . 4.28 401 328 A 10 GLY HAx A 13 VAL HGy% 1.0 . 4.28 402 329 A 12 LEU H A 12 LEU HBy 1.0 . 3.41 403 329 A 12 LEU H A 12 LEU HBx 1.0 . 3.41 404 330 A 12 LEU H A 13 VAL HGx% 1.0 . 4.58 405 330 A 12 LEU H A 13 VAL HGy% 1.0 . 4.58 406 331 A 13 VAL H A 12 LEU HBy 1.0 . 3.39 407 331 A 13 VAL H A 12 LEU HBx 1.0 . 3.39 408 332 A 13 VAL H A 13 VAL HGx% 1.0 . 3.08 409 332 A 13 VAL H A 13 VAL HGy% 1.0 . 3.08 410 333 A 13 VAL HA A 13 VAL HGx% 1.0 . 2.35 411 333 A 13 VAL HA A 13 VAL HGy% 1.0 . 2.35 412 334 A 13 VAL HA A 16 ARG HBx 1.0 . 5.34 413 334 A 13 VAL HA A 16 ARG HBy 1.0 . 5.34 414 335 A 13 VAL HA A 16 ARG HGy 1.0 . 4.69 415 335 A 13 VAL HA A 16 ARG HGx 1.0 . 4.69 416 336 A 17 ILE H A 13 VAL HGx% 1.0 . 5.44 417 336 A 17 ILE H A 13 VAL HGy% 1.0 . 5.44 418 337 A 14 GLY HAy A 17 ILE HG1y 1.0 . 4.16 419 337 A 14 GLY HAx A 17 ILE HG1y 1.0 . 4.16 420 337 A 17 ILE HG1x A 14 GLY HAx 1.0 . 4.16 421 337 A 14 GLY HAy A 17 ILE HG1x 1.0 . 4.16 422 338 A 14 GLY HAx A 18 VAL HGx% 1.0 . 4.34 423 338 A 14 GLY HAy A 18 VAL HGx% 1.0 . 4.34 424 338 A 18 VAL HGy% A 14 GLY HAx 1.0 . 4.34 425 338 A 14 GLY HAy A 18 VAL HGy% 1.0 . 4.34 426 339 A 15 LEU H A 15 LEU HDx% 1.0 . 4.02 427 339 A 15 LEU H A 15 LEU HDy% 1.0 . 4.02 428 340 A 15 LEU H A 18 VAL HGx% 1.0 . 4.68 429 340 A 15 LEU H A 18 VAL HGy% 1.0 . 4.68 430 341 A 15 LEU HA A 15 LEU HDx% 1.0 . 2.63 431 341 A 15 LEU HA A 15 LEU HDy% 1.0 . 2.63 432 342 A 15 LEU HA A 18 VAL HGx% 1.0 . 3.48 433 342 A 15 LEU HA A 18 VAL HGy% 1.0 . 3.48 434 343 A 16 ARG H A 15 LEU HDx% 1.0 . 3.90 435 343 A 16 ARG H A 15 LEU HDy% 1.0 . 3.90 436 344 A 19 PHE HD% A 15 LEU HDx% 1.0 . 4.55 437 344 A 19 PHE HD% A 15 LEU HDy% 1.0 . 4.55 438 345 A 19 PHE HE% A 15 LEU HDx% 1.0 . 5.44 439 345 A 15 LEU HDy% A 19 PHE HE% 1.0 . 5.44 440 346 A 16 ARG H A 16 ARG HDy 1.0 . 4.16 441 346 A 16 ARG H A 16 ARG HDx 1.0 . 4.16 442 347 A 16 ARG H A 18 VAL HGx% 1.0 . 5.44 443 347 A 16 ARG H A 18 VAL HGy% 1.0 . 5.44 444 348 A 16 ARG HA A 16 ARG HDy 1.0 . 5.34 445 348 A 16 ARG HA A 16 ARG HDx 1.0 . 5.34 446 349 A 16 ARG HBy A 16 ARG HDy 1.0 . 2.89 447 349 A 16 ARG HBx A 16 ARG HDy 1.0 . 2.89 448 349 A 16 ARG HDx A 16 ARG HBx 1.0 . 2.89 449 349 A 16 ARG HBy A 16 ARG HDx 1.0 . 2.89 450 350 A 17 ILE H A 17 ILE HG1y 1.0 . 3.68 451 350 A 17 ILE H A 17 ILE HG1x 1.0 . 3.68 452 351 A 17 ILE H A 18 VAL HGx% 1.0 . 4.68 453 351 A 17 ILE H A 18 VAL HGy% 1.0 . 4.68 454 352 A 17 ILE HA A 17 ILE HG1y 1.0 . 3.11 455 352 A 17 ILE HA A 17 ILE HG1x 1.0 . 3.11 456 353 A 18 VAL H A 17 ILE HG1y 1.0 . 5.34 457 353 A 18 VAL H A 17 ILE HG1x 1.0 . 5.34 458 354 A 18 VAL H A 18 VAL HGx% 1.0 . 3.03 459 354 A 18 VAL H A 18 VAL HGy% 1.0 . 3.03 460 355 A 18 VAL HA A 18 VAL HGx% 1.0 . 2.45 461 355 A 18 VAL HA A 18 VAL HGy% 1.0 . 2.45 462 356 A 18 VAL HA A 22 LEU HDx% 1.0 . 4.53 463 356 A 18 VAL HA A 22 LEU HDy% 1.0 . 4.53 464 357 A 19 PHE H A 18 VAL HGx% 1.0 . 3.94 465 357 A 19 PHE H A 18 VAL HGy% 1.0 . 3.94 466 358 A 19 PHE HA A 18 VAL HGx% 1.0 . 4.15 467 358 A 19 PHE HA A 18 VAL HGy% 1.0 . 4.15 468 359 A 18 VAL HGy% A 22 LEU HDx% 1.0 . 5.37 469 359 A 22 LEU HDy% A 18 VAL HGx% 1.0 . 5.37 470 359 A 18 VAL HGy% A 22 LEU HDy% 1.0 . 5.37 471 359 A 18 VAL HGx% A 22 LEU HDx% 1.0 . 5.37 472 360 A 19 PHE HA A 22 LEU HDx% 1.0 . 3.74 473 360 A 19 PHE HA A 22 LEU HDy% 1.0 . 3.74 474 361 A 19 PHE HD% A 22 LEU HDx% 1.0 . 3.93 475 361 A 19 PHE HD% A 22 LEU HDy% 1.0 . 3.93 476 362 A 19 PHE HE% A 22 LEU HDx% 1.0 . 5.44 477 362 A 19 PHE HE% A 22 LEU HDy% 1.0 . 5.44 478 363 A 21 VAL HA A 24 ILE HG1y 1.0 . 5.34 479 363 A 21 VAL HA A 24 ILE HG1x 1.0 . 5.34 480 364 A 21 VAL HA A 25 LYS HGy 1.0 . 5.34 481 364 A 21 VAL HA A 25 LYS HGx 1.0 . 5.34 482 365 A 22 LEU H A 22 LEU HDx% 1.0 . 4.30 483 365 A 22 LEU H A 22 LEU HDy% 1.0 . 4.30 484 366 A 22 LEU HA A 22 LEU HDx% 1.0 . 2.97 485 366 A 22 LEU HA A 22 LEU HDy% 1.0 . 2.97 486 367 A 22 LEU HA A 25 LYS HBy 1.0 . 5.34 487 367 A 22 LEU HA A 25 LYS HBx 1.0 . 5.34 488 368 A 22 LEU HBx A 22 LEU HDx% 1.0 . 2.89 489 368 A 22 LEU HBx A 22 LEU HDy% 1.0 . 2.89 490 369 A 22 LEU HBy A 22 LEU HDx% 1.0 . 3.14 491 369 A 22 LEU HBy A 22 LEU HDy% 1.0 . 3.14 492 370 A 24 ILE H A 24 ILE HG1y 1.0 . 4.27 493 370 A 24 ILE H A 24 ILE HG1x 1.0 . 4.27 494 371 A 24 ILE HA A 27 LYS HGy 1.0 . 3.99 495 371 A 24 ILE HA A 27 LYS HGx 1.0 . 3.99 496 372 A 25 LYS H A 24 ILE HG1y 1.0 . 4.70 497 372 A 25 LYS H A 24 ILE HG1x 1.0 . 4.70 498 373 A 25 LYS H A 25 LYS HBy 1.0 . 2.99 499 373 A 25 LYS H A 25 LYS HBx 1.0 . 2.99 500 374 A 26 LYS H A 25 LYS HBy 1.0 . 3.92 501 374 A 26 LYS H A 25 LYS HBx 1.0 . 3.92 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _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 LYS C A 2 LYS N A 2 LYS CA A 2 LYS C 1.0 -88.5 -48.5 PHI 2 2 A 2 LYS N A 2 LYS CA A 2 LYS C A 3 LYS N 1.0 -52.5 -19.2 PSI 3 3 A 2 LYS C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -73.6 -53.6 PHI 4 4 A 3 LYS N A 3 LYS CA A 3 LYS C A 4 LEU N 1.0 -53.9 -25.3 PSI 5 5 A 3 LYS C A 4 LEU N A 4 LEU CA A 4 LEU C 1.0 -77.7 -57.7 PHI 6 6 A 4 LEU N A 4 LEU CA A 4 LEU C A 5 PHE N 1.0 -52.0 -25.6 PSI 7 7 A 4 LEU C A 5 PHE N A 5 PHE CA A 5 PHE C 1.0 -76.2 -54.1 PHI 8 8 A 5 PHE N A 5 PHE CA A 5 PHE C A 6 ILE N 1.0 -53.1 -30.9 PSI 9 9 A 5 PHE C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -78.4 -49.5 PHI 10 10 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 MET N 1.0 -59.8 -24.8 PSI 11 11 A 6 ILE C A 7 MET N A 7 MET CA A 7 MET C 1.0 -75.3 -51.1 PHI 12 12 A 7 MET N A 7 MET CA A 7 MET C A 8 ILE N 1.0 -57.0 -26.6 PSI 13 13 A 7 MET C A 8 ILE N A 8 ILE CA A 8 ILE C 1.0 -78.9 -55.5 PHI 14 14 A 8 ILE N A 8 ILE CA A 8 ILE C A 9 VAL N 1.0 -53.8 -33.8 PSI 15 15 A 8 ILE C A 9 VAL N A 9 VAL CA A 9 VAL C 1.0 -77.7 -57.2 PHI 16 16 A 9 VAL N A 9 VAL CA A 9 VAL C A 10 GLY N 1.0 -60.0 -21.6 PSI 17 17 A 9 VAL C A 10 GLY N A 10 GLY CA A 10 GLY C 1.0 -81.1 -40.3 PHI 18 18 A 10 GLY N A 10 GLY CA A 10 GLY C A 11 GLY N 1.0 -56.0 -10.2 PSI 19 19 A 10 GLY C A 11 GLY N A 11 GLY CA A 11 GLY C 1.0 -109.9 -34.9 PHI 20 20 A 11 GLY N A 11 GLY CA A 11 GLY C A 12 LEU N 1.0 -81.5 24.0 PSI 21 21 A 11 GLY C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -81.0 -51.1 PHI 22 22 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 VAL N 1.0 -58.0 -10.4 PSI 23 23 A 12 LEU C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -75.6 -55.6 PHI 24 24 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 GLY N 1.0 -59.0 -21.0 PSI 25 25 A 13 VAL C A 14 GLY N A 14 GLY CA A 14 GLY C 1.0 -80.6 -47.3 PHI 26 26 A 14 GLY N A 14 GLY CA A 14 GLY C A 15 LEU N 1.0 -58.1 -20.2 PSI 27 27 A 14 GLY C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -75.1 -55.1 PHI 28 28 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 ARG N 1.0 -50.6 -30.6 PSI 29 29 A 15 LEU C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -75.9 -55.9 PHI 30 30 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 ILE N 1.0 -46.5 -20.1 PSI 31 31 A 16 ARG C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -79.4 -56.0 PHI 32 32 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 VAL N 1.0 -53.0 -33.0 PSI 33 33 A 17 ILE C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -73.6 -53.6 PHI 34 34 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 PHE N 1.0 -55.5 -35.5 PSI 35 35 A 18 VAL C A 19 PHE N A 19 PHE CA A 19 PHE C 1.0 -73.0 -53.0 PHI 36 36 A 19 PHE N A 19 PHE CA A 19 PHE C A 20 ALA N 1.0 -47.5 -26.4 PSI 37 37 A 19 PHE C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -76.6 -56.6 PHI 38 38 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 VAL N 1.0 -52.8 -24.8 PSI 39 39 A 20 ALA C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -79.0 -57.3 PHI 40 40 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 LEU N 1.0 -52.5 -32.5 PSI 41 41 A 21 VAL C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -69.5 -49.5 PHI 42 42 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 SER N 1.0 -51.7 -31.7 PSI 43 43 A 22 LEU C A 23 SER N A 23 SER CA A 23 SER C 1.0 -74.8 -54.8 PHI 44 44 A 23 SER N A 23 SER CA A 23 SER C A 24 ILE N 1.0 -51.5 -24.1 PSI 45 45 A 23 SER C A 24 ILE N A 24 ILE CA A 24 ILE C 1.0 -79.2 -53.4 PHI 46 46 A 24 ILE N A 24 ILE CA A 24 ILE C A 25 LYS N 1.0 -52.9 -32.9 PSI 47 47 A 24 ILE C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -82.4 -50.0 PHI 48 48 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 LYS N 1.0 -54.8 -17.5 PSI 49 49 A 25 LYS C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -89.2 -44.9 PHI 50 50 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 LYS N 1.0 -64.4 -5.2 PSI stop_ save_