data_nef_c19582_2mg2 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 19583 PDB 2MG2 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 ASN middle . . 5 A 5 TRP middle . . 6 A 6 PHE middle . . 7 A 7 ASP middle . . 8 A 8 ILE middle . . 9 A 9 THR middle . . 10 A 10 ASN middle . . 11 A 11 TRP middle . . 12 A 12 LEU middle . . 13 A 13 TRP middle . . 14 A 14 TYR middle . . 15 A 15 ILE middle . . 16 A 16 LYS middle . . 17 A 17 LEU middle . . 18 A 18 PHE middle . . 19 A 19 ILE middle . . 20 A 20 MET middle . . 21 A 21 ILE middle . . 22 A 22 VAL middle . . 23 A 23 GLY middle . false 24 A 24 GLY middle . false 25 A 25 LEU middle . . 26 A 26 VAL middle . . 27 A 27 LYS middle . . 28 A 28 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 4.01 0.010 A 1 LYS HBx H 1 1.95 0.010 A 1 LYS HBy H 1 1.95 0.010 A 1 LYS HDx H 1 1.76 0.010 A 1 LYS HDy H 1 1.76 0.010 A 1 LYS HEx H 1 3.06 0.010 A 1 LYS HEy H 1 3.06 0.010 A 1 LYS HGx H 1 1.53 0.010 A 1 LYS HGy H 1 1.53 0.010 A 1 LYS CA C 13 56.0 0.100 A 1 LYS CB C 13 33.9 0.100 A 1 LYS CE C 13 42.1 0.100 A 1 LYS CG C 13 24.1 0.100 A 2 LYS HA H 1 4.43 0.010 A 2 LYS HBx H 1 1.84 0.010 A 2 LYS HBy H 1 1.92 0.010 A 2 LYS HDx H 1 1.77 0.010 A 2 LYS HDy H 1 1.77 0.010 A 2 LYS HEx H 1 3.06 0.010 A 2 LYS HEy H 1 3.06 0.010 A 2 LYS HGx H 1 1.54 0.010 A 2 LYS HGy H 1 1.54 0.010 A 2 LYS CA C 13 56.6 0.100 A 2 LYS CB C 13 33.5 0.100 A 2 LYS CD C 13 29.0 0.100 A 2 LYS CG C 13 24.9 0.100 A 3 LYS H H 1 8.38 0.010 A 3 LYS HA H 1 4.38 0.010 A 3 LYS HBx H 1 1.78 0.010 A 3 LYS HBy H 1 1.78 0.010 A 3 LYS HDx H 1 1.68 0.010 A 3 LYS HDy H 1 1.68 0.010 A 3 LYS HEx H 1 2.99 0.010 A 3 LYS HEy H 1 2.99 0.010 A 3 LYS HGx H 1 1.45 0.010 A 3 LYS HGy H 1 1.50 0.010 A 3 LYS CA C 13 56.7 0.100 A 3 LYS CB C 13 33.3 0.100 A 3 LYS CD C 13 29.1 0.100 A 3 LYS CE C 13 42.1 0.100 A 3 LYS CG C 13 24.8 0.100 A 4 ASN H H 1 8.57 0.010 A 4 ASN HBx H 1 2.69 0.010 A 4 ASN HBy H 1 2.76 0.010 A 4 ASN HD2y H 1 7.53 0.010 A 4 ASN HD2x H 1 6.79 0.010 A 4 ASN CB C 13 39.5 0.100 A 5 TRP H H 1 8.00 0.010 A 5 TRP HA H 1 4.46 0.010 A 5 TRP HBx H 1 3.25 0.010 A 5 TRP HBy H 1 3.35 0.010 A 5 TRP HD1 H 1 7.17 0.010 A 5 TRP HE1 H 1 9.59 0.010 A 5 TRP HE3 H 1 7.49 0.010 A 5 TRP HH2 H 1 7.27 0.010 A 5 TRP HZ2 H 1 7.49 0.010 A 5 TRP HZ3 H 1 7.17 0.010 A 5 TRP CA C 13 59.2 0.100 A 5 TRP CB C 13 29.2 0.100 A 6 PHE H H 1 7.40 0.010 A 6 PHE HA H 1 4.28 0.010 A 6 PHE HBx H 1 2.80 0.010 A 6 PHE HBy H 1 2.85 0.010 A 6 PHE HDx H 1 7.06 0.010 A 6 PHE HDy H 1 7.06 0.010 A 6 PHE HEx H 1 7.31 0.010 A 6 PHE HEy H 1 7.31 0.010 A 6 PHE HZ H 1 7.25 0.010 A 6 PHE CA C 13 59.0 0.100 A 6 PHE CB C 13 38.5 0.100 A 7 ASP H H 1 7.86 0.010 A 7 ASP HA H 1 4.59 0.010 A 7 ASP HBx H 1 2.80 0.010 A 7 ASP HBy H 1 2.80 0.010 A 7 ASP CA C 13 55.7 0.100 A 7 ASP CB C 13 41.4 0.100 A 8 ILE H H 1 7.84 0.010 A 8 ILE HA H 1 4.05 0.010 A 8 ILE HB H 1 1.97 0.010 A 8 ILE HD1% H 1 0.94 0.010 A 8 ILE HG1x H 1 1.34 0.010 A 8 ILE HG1y H 1 1.62 0.010 A 8 ILE HG2% H 1 1.03 0.010 A 8 ILE CA C 13 65.4 0.100 A 8 ILE CB C 13 38.6 0.100 A 8 ILE CD1 C 13 12.5 0.100 A 8 ILE CG1 C 13 28.5 0.100 A 8 ILE CG2 C 13 16.8 0.100 A 9 THR H H 1 8.08 0.010 A 9 THR HA H 1 4.05 0.010 A 9 THR HB H 1 4.22 0.010 A 9 THR HG2% H 1 1.22 0.010 A 9 THR CA C 13 64.0 0.100 A 9 THR CB C 13 69.1 0.100 A 9 THR CG2 C 13 21.2 0.100 A 10 ASN H H 1 7.93 0.010 A 10 ASN HA H 1 4.65 0.010 A 10 ASN HBx H 1 2.71 0.010 A 10 ASN HBy H 1 2.78 0.010 A 10 ASN HD2y H 1 7.17 0.010 A 10 ASN HD2x H 1 6.32 0.010 A 10 ASN CB C 13 38.7 0.100 A 11 TRP H H 1 7.91 0.010 A 11 TRP HA H 1 4.75 0.010 A 11 TRP HBx H 1 3.35 0.010 A 11 TRP HBy H 1 3.58 0.010 A 11 TRP HD1 H 1 7.23 0.010 A 11 TRP HE1 H 1 9.28 0.010 A 11 TRP HE3 H 1 7.59 0.010 A 11 TRP HH2 H 1 7.20 0.010 A 11 TRP HZ2 H 1 7.39 0.010 A 11 TRP HZ3 H 1 7.05 0.010 A 11 TRP CB C 13 29.5 0.100 A 12 LEU H H 1 8.00 0.010 A 12 LEU HA H 1 4.05 0.010 A 12 LEU HBx H 1 1.52 0.010 A 12 LEU HBy H 1 1.82 0.010 A 12 LEU HDx% H 1 0.89 0.010 A 12 LEU HDy% H 1 0.95 0.010 A 12 LEU HG H 1 1.83 0.010 A 12 LEU CA C 13 57.9 0.100 A 12 LEU CB C 13 41.8 0.100 A 12 LEU CD1 C 13 23.1 0.100 A 12 LEU CD2 C 13 24.3 0.100 A 12 LEU CG C 13 26.8 0.100 A 13 TRP H H 1 7.85 0.010 A 13 TRP HA H 1 4.25 0.010 A 13 TRP HBx H 1 3.33 0.010 A 13 TRP HBy H 1 3.41 0.010 A 13 TRP HD1 H 1 7.04 0.010 A 13 TRP HE1 H 1 9.27 0.010 A 13 TRP HE3 H 1 7.35 0.010 A 13 TRP HH2 H 1 7.25 0.010 A 13 TRP HZ2 H 1 7.43 0.010 A 13 TRP HZ3 H 1 7.09 0.010 A 13 TRP CA C 13 60.3 0.100 A 13 TRP CB C 13 28.7 0.100 A 14 TYR H H 1 7.40 0.010 A 14 TYR HA H 1 4.05 0.010 A 14 TYR HBx H 1 2.79 0.010 A 14 TYR HBy H 1 3.03 0.010 A 14 TYR HDx H 1 7.12 0.010 A 14 TYR HDy H 1 7.12 0.010 A 14 TYR HEx H 1 6.84 0.010 A 14 TYR HEy H 1 6.84 0.010 A 14 TYR CA C 13 61.3 0.100 A 15 ILE H H 1 7.93 0.010 A 15 ILE HA H 1 3.80 0.010 A 15 ILE HB H 1 1.86 0.010 A 15 ILE HD1% H 1 0.79 0.010 A 15 ILE HG1x H 1 1.15 0.010 A 15 ILE HG1y H 1 1.51 0.010 A 15 ILE HG2% H 1 0.92 0.010 A 15 ILE CA C 13 64.3 0.100 A 15 ILE CB C 13 37.7 0.100 A 15 ILE CD1 C 13 11.6 0.100 A 15 ILE CG1 C 13 28.2 0.100 A 15 ILE CG2 C 13 16.7 0.100 A 16 LYS H H 1 7.88 0.010 A 16 LYS HA H 1 3.92 0.010 A 16 LYS HBx H 1 1.87 0.010 A 16 LYS HBy H 1 1.87 0.010 A 16 LYS HDx H 1 1.65 0.010 A 16 LYS HDy H 1 1.65 0.010 A 16 LYS HEx H 1 2.92 0.010 A 16 LYS HEy H 1 2.92 0.010 A 16 LYS HGx H 1 1.39 0.010 A 16 LYS HGy H 1 1.56 0.010 A 16 LYS CA C 13 60.1 0.100 A 16 LYS CB C 13 32.0 0.100 A 16 LYS CD C 13 29.4 0.100 A 16 LYS CE C 13 42.3 0.100 A 16 LYS CG C 13 25.2 0.100 A 17 LEU H H 1 7.58 0.010 A 17 LEU HA H 1 4.08 0.010 A 17 LEU HBx H 1 1.53 0.010 A 17 LEU HBy H 1 1.74 0.010 A 17 LEU HDx% H 1 0.90 0.010 A 17 LEU HDy% H 1 0.91 0.010 A 17 LEU HG H 1 1.62 0.010 A 17 LEU CA C 13 58.2 0.100 A 17 LEU CB C 13 41.7 0.100 A 17 LEU CD1 C 13 22.3 0.100 A 17 LEU CD2 C 13 23.9 0.100 A 17 LEU CG C 13 26.9 0.100 A 18 PHE H H 1 8.14 0.010 A 18 PHE HA H 1 4.14 0.010 A 18 PHE HBx H 1 3.10 0.010 A 18 PHE HBy H 1 3.30 0.010 A 18 PHE HDx H 1 7.16 0.010 A 18 PHE HDy H 1 7.16 0.010 A 18 PHE HEx H 1 7.25 0.010 A 18 PHE HEy H 1 7.25 0.010 A 18 PHE HZ H 1 7.21 0.010 A 18 PHE CA C 13 61.9 0.100 A 18 PHE CB C 13 38.9 0.100 A 19 ILE H H 1 8.47 0.010 A 19 ILE HA H 1 3.59 0.010 A 19 ILE HB H 1 2.00 0.010 A 19 ILE HD1% H 1 0.89 0.010 A 19 ILE HG1x H 1 1.31 0.010 A 19 ILE HG1y H 1 1.92 0.010 A 19 ILE HG2% H 1 0.94 0.010 A 19 ILE CA C 13 65.1 0.100 A 19 ILE CB C 13 37.9 0.100 A 19 ILE CD1 C 13 12.2 0.100 A 19 ILE CG1 C 13 28.8 0.100 A 19 ILE CG2 C 13 16.6 0.100 A 20 MET H H 1 8.11 0.010 A 20 MET HA H 1 4.13 0.010 A 20 MET HBx H 1 2.21 0.010 A 20 MET HBy H 1 2.41 0.010 A 20 MET HE% H 1 2.07 0.010 A 20 MET HGx H 1 2.56 0.010 A 20 MET HGy H 1 2.80 0.010 A 20 MET CA C 13 59.1 0.100 A 20 MET CB C 13 32.6 0.100 A 20 MET CE C 13 15.8 0.100 A 20 MET CG C 13 32.0 0.100 A 21 ILE H H 1 8.55 0.010 A 21 ILE HA H 1 3.81 0.010 A 21 ILE HB H 1 1.99 0.010 A 21 ILE HD1% H 1 0.86 0.010 A 21 ILE HG1x H 1 1.14 0.010 A 21 ILE HG1y H 1 1.81 0.010 A 21 ILE HG2% H 1 0.88 0.010 A 21 ILE CA C 13 65.1 0.100 A 21 ILE CB C 13 38.3 0.100 A 21 ILE CD1 C 13 11.9 0.100 A 21 ILE CG1 C 13 28.5 0.100 A 21 ILE CG2 C 13 15.9 0.100 A 22 VAL H H 1 8.64 0.010 A 22 VAL HA H 1 3.60 0.010 A 22 VAL HB H 1 1.74 0.010 A 22 VAL HGx% H 1 0.66 0.010 A 22 VAL HGy% H 1 0.79 0.010 A 22 VAL CA C 13 66.9 0.100 A 22 VAL CB C 13 31.2 0.100 A 22 VAL CG1 C 13 21.8 0.100 A 22 VAL CG2 C 13 20.5 0.100 A 23 GLY H H 1 8.32 0.010 A 23 GLY HAx H 1 3.80 0.010 A 23 GLY HAy H 1 3.90 0.010 A 23 GLY CA C 13 46.9 0.100 A 24 GLY H H 1 7.62 0.010 A 24 GLY HAx H 1 3.94 0.010 A 24 GLY HAy H 1 3.94 0.010 A 24 GLY CA C 13 46.6 0.100 A 25 LEU H H 1 8.05 0.010 A 25 LEU HA H 1 4.23 0.010 A 25 LEU HBx H 1 1.61 0.010 A 25 LEU HBy H 1 2.03 0.010 A 25 LEU HDx% H 1 0.89 0.010 A 25 LEU HDy% H 1 0.93 0.010 A 25 LEU HG H 1 1.84 0.010 A 25 LEU CB C 13 42.1 0.100 A 25 LEU CD1 C 13 23.1 0.100 A 25 LEU CD2 C 13 24.2 0.100 A 25 LEU CG C 13 26.7 0.100 A 26 VAL H H 1 8.31 0.010 A 26 VAL HA H 1 3.83 0.010 A 26 VAL HB H 1 2.23 0.010 A 26 VAL HGx% H 1 0.99 0.010 A 26 VAL HGy% H 1 1.07 0.010 A 26 VAL CA C 13 65.3 0.100 A 26 VAL CB C 13 32.0 0.100 A 26 VAL CG1 C 13 20.5 0.100 A 26 VAL CG2 C 13 21.1 0.100 A 27 LYS H H 1 7.85 0.010 A 27 LYS HA H 1 4.22 0.010 A 27 LYS HBx H 1 1.98 0.010 A 27 LYS HBy H 1 1.98 0.010 A 27 LYS HDx H 1 1.76 0.010 A 27 LYS HDy H 1 1.76 0.010 A 27 LYS HEx H 1 3.04 0.010 A 27 LYS HEy H 1 3.04 0.010 A 27 LYS HGx H 1 1.55 0.010 A 27 LYS HGy H 1 1.55 0.010 A 27 LYS CA C 13 57.7 0.100 A 27 LYS CB C 13 32.5 0.100 A 28 LYS H H 1 7.88 0.010 A 28 LYS HA H 1 4.23 0.010 A 28 LYS HBx H 1 1.99 0.010 A 28 LYS HBy H 1 1.99 0.010 A 28 LYS HEx H 1 3.06 0.010 A 28 LYS HEy H 1 3.06 0.010 A 28 LYS HGx H 1 1.60 0.010 A 28 LYS HGy H 1 1.60 0.010 A 28 LYS CA C 13 57.1 0.100 A 28 LYS CB C 13 32.7 0.100 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 9 THR HA A 9 THR HG2% 1.0 . 3.44 2 2 A 9 THR H A 9 THR HB 1.0 . 3.68 3 3 A 9 THR HG2% A 9 THR H 1.0 . 3.75 4 4 A 20 MET H A 20 MET HGy 1.0 . 4.25 5 5 A 20 MET H A 20 MET HGx 1.0 . 4.25 6 6 A 20 MET H A 20 MET HBy 1.0 . 3.85 7 7 A 20 MET HA A 20 MET HGx 1.0 . 4.17 8 8 A 20 MET HA A 20 MET HGy 1.0 . 4.17 9 9 A 21 ILE H A 20 MET HBx 1.0 . 4.24 10 10 A 21 ILE H A 20 MET HBy 1.0 . 4.24 11 11 A 21 ILE H A 18 PHE HA 1.0 . 4.70 12 12 A 21 ILE H A 21 ILE HB 1.0 . 3.28 13 13 A 21 ILE HB A 22 VAL H 1.0 . 3.47 14 14 A 20 MET H A 21 ILE H 1.0 . 3.72 15 15 A 21 ILE H A 22 VAL H 1.0 . 3.62 16 16 A 22 VAL H A 23 GLY H 1.0 . 3.71 17 17 A 22 VAL HA A 26 VAL H 1.0 . 4.42 18 18 A 21 ILE HA A 24 GLY H 1.0 . 4.60 19 19 A 23 GLY H A 24 GLY H 1.0 . 3.89 20 20 A 24 GLY H A 25 LEU H 1.0 . 3.70 21 21 A 21 ILE HA A 25 LEU H 1.0 . 5.07 22 22 A 25 LEU H A 23 GLY HAy 1.0 . 5.41 23 23 A 22 VAL HA A 25 LEU H 1.0 . 4.18 24 24 A 22 VAL HA A 24 GLY H 1.0 . 3.84 25 25 A 22 VAL H A 22 VAL HB 1.0 . 3.40 26 26 A 23 GLY H A 22 VAL HB 1.0 . 3.79 27 27 A 22 VAL H A 22 VAL HGy% 1.0 . 3.35 28 28 A 22 VAL H A 22 VAL HGx% 1.0 . 4.06 29 29 A 21 ILE H A 22 VAL HGy% 1.0 . 4.80 30 30 A 23 GLY H A 22 VAL HGy% 1.0 . 4.32 31 31 A 26 VAL H A 22 VAL HGx% 1.0 . 4.17 32 32 A 22 VAL HA A 22 VAL HGy% 1.0 . 3.12 33 33 A 22 VAL HA A 22 VAL HGx% 1.0 . 3.28 34 34 A 18 PHE H A 18 PHE HBx 1.0 . 3.67 35 35 A 18 PHE H A 18 PHE HBy 1.0 . 3.67 36 36 A 20 MET H A 19 ILE H 1.0 . 3.74 37 37 A 18 PHE H A 19 ILE H 1.0 . 3.89 38 38 A 21 ILE H A 19 ILE HA 1.0 . 4.80 39 39 A 19 ILE H A 18 PHE HBy 1.0 . 4.34 40 40 A 19 ILE H A 18 PHE HBx 1.0 . 4.34 41 41 A 18 PHE HA A 22 VAL H 1.0 . 4.59 42 42 A 18 PHE H A 18 PHE HD% 1.0 . 4.44 43 43 A 19 ILE H A 18 PHE HD% 1.0 . 4.56 44 44 A 22 VAL HGy% A 18 PHE HD% 1.0 . 4.25 45 45 A 22 VAL HGy% A 18 PHE HE% 1.0 . 4.09 46 46 A 22 VAL HGx% A 18 PHE HE% 1.0 . 3.68 47 47 A 22 VAL HGx% A 18 PHE HD% 1.0 . 4.87 48 48 A 14 TYR H A 14 TYR HBy 1.0 . 3.94 49 49 A 6 PHE H A 6 PHE HBx 1.0 . 4.07 50 50 A 14 TYR H A 14 TYR HBx 1.0 . 3.94 51 51 A 14 TYR H A 15 ILE H 1.0 . 3.80 52 52 A 5 TRP H A 5 TRP HBy 1.0 . 4.11 53 53 A 12 LEU H A 11 TRP HBx 1.0 . 4.64 54 54 A 5 TRP H A 5 TRP HBx 1.0 . 4.11 55 55 A 6 PHE H A 5 TRP HBx 1.0 . 4.71 56 56 A 5 TRP HA A 5 TRP HD1 1.0 . 5.18 57 57 A 5 TRP HA A 5 TRP HE3 1.0 . 4.65 58 58 A 6 PHE H A 5 TRP H 1.0 . 4.33 59 59 A 5 TRP H A 5 TRP HD1 1.0 . 3.48 60 60 A 9 THR HG2% A 10 ASN H 1.0 . 4.80 61 61 A 10 ASN H A 10 ASN HBx 1.0 . 3.76 62 62 A 10 ASN H A 10 ASN HBy 1.0 . 3.76 63 63 A 9 THR H A 10 ASN H 1.0 . 3.84 64 64 A 9 THR H A 8 ILE H 1.0 . 4.01 65 65 A 20 MET H A 20 MET HBx 1.0 . 3.85 66 66 A 20 MET H A 19 ILE HB 1.0 . 4.06 67 67 A 19 ILE H A 19 ILE HB 1.0 . 3.33 68 68 A 26 VAL H A 26 VAL HB 1.0 . 3.45 69 69 A 26 VAL H A 26 VAL HGy% 1.0 . 3.84 70 70 A 26 VAL H A 26 VAL HGx% 1.0 . 3.30 71 71 A 26 VAL HGy% A 26 VAL HA 1.0 . 3.19 72 72 A 26 VAL HGx% A 26 VAL HA 1.0 . 3.45 73 73 A 22 VAL HA A 26 VAL HGx% 1.0 . 4.87 74 74 A 23 GLY HAy A 26 VAL HB 1.0 . 4.36 75 75 A 22 VAL HA A 26 VAL HB 1.0 . 4.49 76 76 A 15 ILE HA A 18 PHE HBy 1.0 . 4.08 77 77 A 8 ILE HA A 8 ILE HG2% 1.0 . 3.62 78 78 A 8 ILE HA A 8 ILE HG1x 1.0 . 4.04 79 79 A 8 ILE HG2% A 8 ILE HG1x 1.0 . 4.21 80 80 A 9 THR HG2% A 8 ILE HG2% 1.0 . 5.50 81 81 A 7 ASP H A 7 ASP HBx 1.0 . 3.27 82 81 A 7 ASP H A 7 ASP HBy 1.0 . 3.27 83 82 A 8 ILE H A 7 ASP HBx 1.0 . 3.66 84 82 A 8 ILE H A 7 ASP HBy 1.0 . 3.66 85 83 A 8 ILE H A 8 ILE HB 1.0 . 3.32 86 84 A 27 LYS H A 27 LYS HBx 1.0 . 3.55 87 84 A 27 LYS H A 27 LYS HBy 1.0 . 3.55 88 85 A 8 ILE H A 8 ILE HG1y 1.0 . 4.21 89 86 A 8 ILE H A 8 ILE HG1x 1.0 . 4.21 90 87 A 8 ILE H A 8 ILE HG2% 1.0 . 4.12 91 88 A 9 THR H A 8 ILE HG2% 1.0 . 4.15 92 89 A 9 THR H A 8 ILE HB 1.0 . 3.20 93 90 A 18 PHE H A 15 ILE HA 1.0 . 4.44 94 91 A 19 ILE H A 15 ILE HA 1.0 . 5.50 95 92 A 19 ILE H A 16 LYS HA 1.0 . 4.57 96 93 A 21 ILE H A 17 LEU HA 1.0 . 4.36 97 94 A 16 LYS HA A 17 LEU H 1.0 . 3.54 98 95 A 17 LEU H A 14 TYR HA 1.0 . 3.91 99 96 A 15 ILE HA A 17 LEU H 1.0 . 5.50 100 97 A 26 VAL HB A 27 LYS H 1.0 . 4.18 101 98 A 26 VAL HGy% A 27 LYS H 1.0 . 5.50 102 99 A 26 VAL HGx% A 27 LYS H 1.0 . 3.09 103 100 A 26 VAL H A 25 LEU H 1.0 . 3.65 104 101 A 26 VAL H A 27 LYS H 1.0 . 3.71 105 102 A 18 PHE H A 17 LEU H 1.0 . 3.82 106 103 A 17 LEU H A 16 LYS H 1.0 . 3.68 107 104 A 9 THR HB A 10 ASN H 1.0 . 4.69 108 105 A 15 ILE H A 12 LEU HA 1.0 . 4.77 109 106 A 3 LYS HA A 3 LYS HDx 1.0 . 3.80 110 106 A 3 LYS HA A 3 LYS HDy 1.0 . 3.80 111 107 A 3 LYS HA A 3 LYS HEx 1.0 . 5.50 112 107 A 3 LYS HA A 3 LYS HEy 1.0 . 5.50 113 108 A 3 LYS HDx A 3 LYS HEx 1.0 . 2.96 114 108 A 3 LYS HDy A 3 LYS HEx 1.0 . 2.96 115 108 A 3 LYS HEy A 3 LYS HDx 1.0 . 2.96 116 108 A 3 LYS HDy A 3 LYS HEy 1.0 . 2.96 117 109 A 15 ILE HA A 15 ILE HD1% 1.0 . 4.08 118 110 A 23 GLY HAy A 22 VAL HGx% 1.0 . 4.38 119 111 A 15 ILE HA A 15 ILE HG1x 1.0 . 3.97 120 112 A 21 ILE HA A 21 ILE HG1x 1.0 . 3.75 121 113 A 15 ILE HA A 15 ILE HG1y 1.0 . 3.97 122 114 A 15 ILE H A 15 ILE HD1% 1.0 . 4.53 123 115 A 15 ILE H A 15 ILE HG1x 1.0 . 4.14 124 116 A 15 ILE H A 15 ILE HG1y 1.0 . 4.14 125 117 A 15 ILE H A 15 ILE HB 1.0 . 3.22 126 118 A 5 TRP HA A 8 ILE HD1% 1.0 . 5.03 127 119 A 5 TRP HA A 8 ILE HG2% 1.0 . 5.23 128 120 A 15 ILE H A 15 ILE HG2% 1.0 . 4.00 129 121 A 15 ILE HA A 15 ILE HG2% 1.0 . 3.64 130 122 A 21 ILE HA A 21 ILE HD1% 1.0 . 5.50 131 123 A 8 ILE HA A 8 ILE HD1% 1.0 . 2.72 132 124 A 8 ILE HG2% A 8 ILE HG1y 1.0 . 4.21 133 125 A 11 TRP H A 11 TRP HBy 1.0 . 3.96 134 126 A 11 TRP H A 11 TRP HBx 1.0 . 3.96 135 127 A 15 ILE H A 17 LEU H 1.0 . 4.71 136 128 A 13 TRP H A 13 TRP HBx 1.0 . 3.86 137 129 A 13 TRP H A 13 TRP HBy 1.0 . 3.86 138 130 A 22 VAL H A 21 ILE HG2% 1.0 . 3.76 139 131 A 21 ILE H A 21 ILE HG2% 1.0 . 3.77 140 132 A 21 ILE H A 21 ILE HG1x 1.0 . 3.98 141 133 A 19 ILE H A 19 ILE HG1x 1.0 . 3.82 142 134 A 6 PHE H A 6 PHE HBy 1.0 . 4.07 143 135 A 12 LEU H A 13 TRP H 1.0 . 3.72 144 136 A 6 PHE H A 7 ASP H 1.0 . 3.84 145 137 A 14 TYR H A 13 TRP H 1.0 . 4.11 146 138 A 22 VAL HGy% A 21 ILE HG2% 1.0 . 5.50 147 139 A 22 VAL HGx% A 26 VAL HGy% 1.0 . 3.06 148 140 A 22 VAL HGy% A 26 VAL HGy% 1.0 . 5.50 149 141 A 22 VAL HGx% A 26 VAL HGx% 1.0 . 5.50 150 142 A 22 VAL HGy% A 26 VAL HGx% 1.0 . 5.50 151 143 A 15 ILE HD1% A 15 ILE HB 1.0 . 3.84 152 144 A 21 ILE HB A 21 ILE HD1% 1.0 . 2.62 153 145 A 23 GLY HAy A 22 VAL HB 1.0 . 4.34 154 146 A 21 ILE H A 21 ILE HG1y 1.0 . 3.98 155 147 A 4 ASN H A 3 LYS HBx 1.0 . 3.77 156 147 A 3 LYS HBy A 4 ASN H 1.0 . 3.77 157 148 A 19 ILE H A 19 ILE HG2% 1.0 . 3.94 158 149 A 19 ILE H A 19 ILE HD1% 1.0 . 3.87 159 150 A 19 ILE H A 19 ILE HG1y 1.0 . 3.82 160 151 A 26 VAL H A 25 LEU HBy 1.0 . 4.20 161 152 A 26 VAL H A 25 LEU HBx 1.0 . 4.20 162 153 A 26 VAL H A 25 LEU HG 1.0 . 5.26 163 154 A 20 MET HA A 23 GLY H 1.0 . 5.25 164 155 A 2 LYS HBy A 2 LYS HEx 1.0 . 5.50 165 155 A 2 LYS HBy A 2 LYS HEy 1.0 . 5.50 166 156 A 2 LYS HBx A 2 LYS HEx 1.0 . 5.50 167 156 A 2 LYS HEy A 2 LYS HBx 1.0 . 5.50 168 157 A 16 LYS HA A 19 ILE HD1% 1.0 . 3.09 169 158 A 16 LYS HBy A 16 LYS HEx 1.0 . 4.69 170 158 A 16 LYS HBx A 16 LYS HEx 1.0 . 4.69 171 158 A 16 LYS HEy A 16 LYS HBx 1.0 . 4.69 172 158 A 16 LYS HBy A 16 LYS HEy 1.0 . 4.69 173 159 A 18 PHE HA A 21 ILE HB 1.0 . 3.67 174 160 A 15 ILE HA A 18 PHE HBx 1.0 . 4.08 175 161 A 5 TRP HA A 8 ILE HB 1.0 . 4.54 176 162 A 19 ILE HA A 19 ILE HG1x 1.0 . 3.60 177 163 A 22 VAL HA A 25 LEU HBx 1.0 . 4.09 178 164 A 22 VAL HA A 26 VAL HGy% 1.0 . 5.17 179 165 A 22 VAL HA A 21 ILE HG2% 1.0 . 3.62 180 166 A 19 ILE HA A 19 ILE HG2% 1.0 . 3.12 181 167 A 19 ILE HA A 19 ILE HG1y 1.0 . 3.60 182 168 A 22 VAL HA A 25 LEU HG 1.0 . 4.10 183 169 A 22 VAL HA A 25 LEU HBy 1.0 . 4.09 184 170 A 17 LEU H A 17 LEU HBy 1.0 . 3.68 185 171 A 17 LEU H A 17 LEU HBx 1.0 . 3.68 186 172 A 17 LEU H A 16 LYS HBx 1.0 . 3.57 187 172 A 17 LEU H A 16 LYS HBy 1.0 . 3.57 188 173 A 17 LEU H A 17 LEU HG 1.0 . 4.45 189 174 A 17 LEU H A 17 LEU HDx% 1.0 . 4.53 190 175 A 17 LEU H A 17 LEU HDy% 1.0 . 4.53 191 176 A 25 LEU H A 25 LEU HBx 1.0 . 3.83 192 177 A 25 LEU H A 25 LEU HG 1.0 . 3.51 193 178 A 25 LEU H A 25 LEU HBy 1.0 . 3.83 194 179 A 12 LEU H A 12 LEU HBy 1.0 . 3.93 195 180 A 12 LEU H A 12 LEU HBx 1.0 . 3.93 196 181 A 12 LEU H A 11 TRP HBy 1.0 . 4.64 197 182 A 5 TRP HA A 8 ILE H 1.0 . 5.50 198 183 A 14 TYR H A 13 TRP HBx 1.0 . 4.66 199 184 A 6 PHE H A 5 TRP HBy 1.0 . 4.71 200 185 A 14 TYR H A 13 TRP HBy 1.0 . 4.66 201 186 A 25 LEU HA A 28 LYS HEx 1.0 . 5.50 202 186 A 25 LEU HA A 28 LYS HEy 1.0 . 5.50 203 187 A 28 LYS HA A 28 LYS HEx 1.0 . 5.50 204 187 A 28 LYS HEy A 28 LYS HA 1.0 . 5.50 205 188 A 2 LYS HA A 2 LYS HDx 1.0 . 4.68 206 188 A 2 LYS HA A 2 LYS HDy 1.0 . 4.68 207 189 A 28 LYS HA A 28 LYS HGx 1.0 . 3.71 208 189 A 28 LYS HA A 28 LYS HGy 1.0 . 3.71 209 190 A 12 LEU HA A 12 LEU HG 1.0 . 3.63 210 191 A 12 LEU H A 11 TRP H 1.0 . 3.50 211 192 A 18 PHE H A 16 LYS H 1.0 . 4.44 212 193 A 28 LYS H A 28 LYS HBx 1.0 . 3.40 213 193 A 28 LYS H A 28 LYS HBy 1.0 . 3.40 214 194 A 1 LYS HA A 1 LYS HDx 1.0 . 5.50 215 194 A 1 LYS HA A 1 LYS HDy 1.0 . 5.50 216 195 A 17 LEU HA A 17 LEU HG 1.0 . 3.60 217 196 A 3 LYS HBx A 3 LYS HEx 1.0 . 5.50 218 196 A 3 LYS HBy A 3 LYS HEx 1.0 . 5.50 219 196 A 3 LYS HEy A 3 LYS HBx 1.0 . 5.50 220 196 A 3 LYS HEy A 3 LYS HBy 1.0 . 5.50 221 197 A 28 LYS HEy A 28 LYS HGx 1.0 . 4.05 222 197 A 28 LYS HEx A 28 LYS HGx 1.0 . 4.05 223 197 A 28 LYS HGy A 28 LYS HEx 1.0 . 4.05 224 197 A 28 LYS HEy A 28 LYS HGy 1.0 . 4.05 225 198 A 27 LYS HBy A 27 LYS HEx 1.0 . 5.50 226 198 A 27 LYS HEy A 27 LYS HBx 1.0 . 5.50 227 198 A 27 LYS HBy A 27 LYS HEy 1.0 . 5.50 228 198 A 27 LYS HBx A 27 LYS HEx 1.0 . 5.50 229 199 A 28 LYS HBx A 28 LYS HEx 1.0 . 5.50 230 199 A 28 LYS HBy A 28 LYS HEx 1.0 . 5.50 231 199 A 28 LYS HEy A 28 LYS HBx 1.0 . 5.50 232 199 A 28 LYS HEy A 28 LYS HBy 1.0 . 5.50 233 200 A 3 LYS H A 3 LYS HBx 1.0 . 3.60 234 200 A 3 LYS HBy A 3 LYS H 1.0 . 3.60 235 201 A 20 MET H A 16 LYS HA 1.0 . 5.28 236 202 A 8 ILE HA A 11 TRP HE1 1.0 . 5.50 237 203 A 22 VAL H A 24 GLY H 1.0 . 5.30 238 204 A 19 ILE H A 17 LEU H 1.0 . 5.43 239 205 A 21 ILE H A 18 PHE H 1.0 . 5.07 240 206 A 21 ILE H A 19 ILE H 1.0 . 4.37 241 207 A 21 ILE H A 23 GLY H 1.0 . 4.18 242 208 A 20 MET H A 22 VAL H 1.0 . 5.33 243 209 A 5 TRP HE3 A 6 PHE HA 1.0 . 4.61 244 210 A 6 PHE HA A 5 TRP HZ3 1.0 . 5.11 245 211 A 13 TRP HA A 13 TRP HE3 1.0 . 4.88 246 212 A 8 ILE HA A 11 TRP HD1 1.0 . 4.43 247 213 A 4 ASN H A 7 ASP HBx 1.0 . 4.03 248 213 A 7 ASP HBy A 4 ASN H 1.0 . 4.03 249 214 A 18 PHE HD% A 15 ILE HA 1.0 . 5.43 250 215 A 19 ILE HA A 18 PHE HD% 1.0 . 4.48 251 216 A 6 PHE HA A 6 PHE HD% 1.0 . 4.21 252 217 A 14 TYR HA A 14 TYR HE% 1.0 . 4.93 253 218 A 14 TYR HA A 14 TYR HD% 1.0 . 3.84 254 219 A 13 TRP HA A 13 TRP HD1 1.0 . 5.10 255 220 A 18 PHE HA A 18 PHE HD% 1.0 . 3.90 256 221 A 18 PHE HA A 18 PHE HE% 1.0 . 4.93 257 222 A 13 TRP H A 13 TRP HD1 1.0 . 4.18 258 223 A 5 TRP H A 5 TRP HE3 1.0 . 5.50 259 224 A 11 TRP H A 11 TRP HD1 1.0 . 4.41 260 225 A 15 ILE H A 14 TYR HD% 1.0 . 4.06 261 226 A 6 PHE H A 6 PHE HD% 1.0 . 4.37 262 227 A 15 ILE HA A 14 TYR HD% 1.0 . 4.72 263 228 A 16 LYS H A 15 ILE HB 1.0 . 3.60 264 229 A 16 LYS H A 16 LYS HBx 1.0 . 3.74 265 229 A 16 LYS H A 16 LYS HBy 1.0 . 3.74 266 230 A 18 PHE H A 17 LEU HBy 1.0 . 4.25 267 231 A 18 PHE H A 17 LEU HBx 1.0 . 4.25 268 232 A 18 PHE H A 17 LEU HG 1.0 . 5.25 269 233 A 27 LYS H A 27 LYS HGx 1.0 . 2.65 270 233 A 27 LYS H A 27 LYS HGy 1.0 . 2.65 271 234 A 18 PHE HD% A 19 ILE HG1y 1.0 . 4.41 272 235 A 9 THR HG2% A 8 ILE H 1.0 . 4.71 273 236 A 28 LYS H A 27 LYS HGx 1.0 . 5.50 274 236 A 28 LYS H A 27 LYS HGy 1.0 . 5.50 275 237 A 28 LYS H A 28 LYS HGx 1.0 . 2.85 276 237 A 28 LYS HGy A 28 LYS H 1.0 . 2.85 277 238 A 18 PHE HA A 22 VAL HGy% 1.0 . 4.60 278 239 A 12 LEU HA A 15 ILE HD1% 1.0 . 4.09 279 240 A 18 PHE HA A 21 ILE HG2% 1.0 . 4.24 280 241 A 21 ILE HA A 21 ILE HG2% 1.0 . 2.97 281 242 A 21 ILE HB A 22 VAL HGy% 1.0 . 3.77 282 243 A 3 LYS HBy A 7 ASP HBx 1.0 . 4.11 283 243 A 3 LYS HBx A 7 ASP HBx 1.0 . 4.11 284 243 A 7 ASP HBy A 3 LYS HBx 1.0 . 4.11 285 243 A 7 ASP HBy A 3 LYS HBy 1.0 . 4.11 286 244 A 22 VAL HGy% A 18 PHE HZ 1.0 . 4.61 287 245 A 22 VAL HGx% A 18 PHE HZ 1.0 . 5.50 288 246 A 14 TYR H A 15 ILE HD1% 1.0 . 4.69 289 247 A 13 TRP HE3 A 17 LEU HDx% 1.0 . 4.99 290 248 A 13 TRP HE3 A 17 LEU HDy% 1.0 . 4.99 291 249 A 8 ILE H A 8 ILE HD1% 1.0 . 5.22 292 250 A 13 TRP HZ3 A 17 LEU HDx% 1.0 . 3.89 293 251 A 13 TRP HZ3 A 17 LEU HDy% 1.0 . 3.89 294 252 A 18 PHE HD% A 19 ILE HD1% 1.0 . 5.50 295 253 A 18 PHE HD% A 21 ILE HG2% 1.0 . 5.50 296 254 A 16 LYS HA A 15 ILE HG2% 1.0 . 3.88 297 255 A 16 LYS HA A 16 LYS HGx 1.0 . 3.96 298 256 A 16 LYS HA A 16 LYS HGy 1.0 . 3.96 299 257 A 16 LYS HA A 16 LYS HDx 1.0 . 3.86 300 257 A 16 LYS HA A 16 LYS HDy 1.0 . 3.86 301 258 A 21 ILE HA A 21 ILE HG1y 1.0 . 3.75 302 259 A 19 ILE HB A 16 LYS HA 1.0 . 3.60 303 260 A 27 LYS HA A 27 LYS HBx 1.0 . 2.93 304 260 A 27 LYS HBy A 27 LYS HA 1.0 . 2.93 305 261 A 27 LYS HA A 27 LYS HDx 1.0 . 4.58 306 261 A 27 LYS HA A 27 LYS HDy 1.0 . 4.58 307 262 A 28 LYS HA A 27 LYS HDx 1.0 . 5.01 308 262 A 28 LYS HA A 27 LYS HDy 1.0 . 5.01 309 263 A 13 TRP HA A 16 LYS HBx 1.0 . 3.78 310 263 A 16 LYS HBy A 13 TRP HA 1.0 . 3.78 311 264 A 25 LEU HG A 25 LEU HA 1.0 . 3.96 312 265 A 8 ILE HA A 8 ILE HG1y 1.0 . 4.04 313 266 A 14 TYR HA A 17 LEU HG 1.0 . 4.35 314 267 A 27 LYS HA A 27 LYS HGx 1.0 . 3.93 315 267 A 27 LYS HGy A 27 LYS HA 1.0 . 3.93 316 268 A 28 LYS HA A 27 LYS HGx 1.0 . 4.35 317 268 A 28 LYS HA A 27 LYS HGy 1.0 . 4.35 318 269 A 26 VAL HB A 27 LYS HBx 1.0 . 5.50 319 269 A 26 VAL HB A 27 LYS HBy 1.0 . 5.50 320 270 A 12 LEU HA A 15 ILE HB 1.0 . 3.83 321 271 A 17 LEU HA A 20 MET HE% 1.0 . 4.73 322 272 A 23 GLY H A 21 ILE HG2% 1.0 . 5.20 323 273 A 26 VAL H A 25 LEU HDx% 1.0 . 5.50 324 274 A 26 VAL H A 25 LEU HDy% 1.0 . 5.50 325 275 A 20 MET H A 19 ILE HG2% 1.0 . 4.44 326 276 A 20 MET H A 19 ILE HD1% 1.0 . 5.50 327 277 A 16 LYS H A 15 ILE HG2% 1.0 . 4.32 328 278 A 16 LYS H A 15 ILE HD1% 1.0 . 5.13 329 279 A 18 PHE H A 17 LEU HDx% 1.0 . 5.50 330 280 A 18 PHE H A 17 LEU HDy% 1.0 . 5.50 331 281 A 25 LEU H A 25 LEU HDx% 1.0 . 5.50 332 282 A 25 LEU H A 25 LEU HDy% 1.0 . 5.50 333 283 A 8 ILE HD1% A 11 TRP HD1 1.0 . 4.02 334 284 A 18 PHE HD% A 19 ILE HG2% 1.0 . 4.94 335 285 A 18 PHE HD% A 19 ILE HG1x 1.0 . 4.41 336 286 A 28 LYS H A 27 LYS HDx 1.0 . 4.12 337 286 A 28 LYS H A 27 LYS HDy 1.0 . 4.12 338 287 A 8 ILE HG2% A 12 LEU HG 1.0 . 5.50 339 288 A 20 MET HA A 19 ILE HG2% 1.0 . 4.45 340 289 A 26 VAL HGx% A 27 LYS HA 1.0 . 4.73 341 290 A 3 LYS H A 3 LYS HGx 1.0 . 4.06 342 290 A 3 LYS H A 3 LYS HGy 1.0 . 4.06 343 291 A 3 LYS HA A 3 LYS HGx 1.0 . 2.91 344 291 A 3 LYS HA A 3 LYS HGy 1.0 . 2.91 345 292 A 3 LYS HEy A 3 LYS HGx 1.0 . 3.41 346 292 A 3 LYS HEx A 3 LYS HGx 1.0 . 3.41 347 292 A 3 LYS HGy A 3 LYS HEx 1.0 . 3.41 348 292 A 3 LYS HEy A 3 LYS HGy 1.0 . 3.41 349 293 A 5 TRP H A 4 ASN HBx 1.0 . 3.80 350 293 A 5 TRP H A 4 ASN HBy 1.0 . 3.80 351 294 A 6 PHE H A 4 ASN HBx 1.0 . 4.13 352 294 A 6 PHE H A 4 ASN HBy 1.0 . 4.13 353 295 A 7 ASP H A 4 ASN HBx 1.0 . 4.65 354 295 A 7 ASP H A 4 ASN HBy 1.0 . 4.65 355 296 A 5 TRP H A 5 TRP HBx 1.0 . 3.61 356 296 A 5 TRP H A 5 TRP HBy 1.0 . 3.61 357 297 A 6 PHE H A 6 PHE HBx 1.0 . 3.29 358 297 A 6 PHE H A 6 PHE HBy 1.0 . 3.29 359 298 A 8 ILE H A 8 ILE HG1y 1.0 . 3.44 360 298 A 8 ILE H A 8 ILE HG1x 1.0 . 3.44 361 299 A 8 ILE HA A 11 TRP HBx 1.0 . 4.62 362 299 A 8 ILE HA A 11 TRP HBy 1.0 . 4.62 363 300 A 8 ILE HB A 8 ILE HG1y 1.0 . 2.63 364 300 A 8 ILE HB A 8 ILE HG1x 1.0 . 2.63 365 301 A 8 ILE HG2% A 8 ILE HG1y 1.0 . 3.37 366 301 A 8 ILE HG2% A 8 ILE HG1x 1.0 . 3.37 367 302 A 8 ILE HG2% A 12 LEU HBy 1.0 . 5.34 368 302 A 8 ILE HG2% A 12 LEU HBx 1.0 . 5.34 369 303 A 9 THR HG2% A 12 LEU HDx% 1.0 . 5.44 370 303 A 9 THR HG2% A 12 LEU HDy% 1.0 . 5.44 371 304 A 10 ASN H A 10 ASN HBy 1.0 . 3.13 372 304 A 10 ASN H A 10 ASN HBx 1.0 . 3.13 373 305 A 10 ASN H A 10 ASN HD2x 1.0 . 4.12 374 305 A 10 ASN H A 10 ASN HD2y 1.0 . 4.12 375 306 A 10 ASN HBx A 10 ASN HD2x 1.0 . 3.22 376 306 A 10 ASN HBy A 10 ASN HD2x 1.0 . 3.22 377 306 A 10 ASN HD2y A 10 ASN HBy 1.0 . 3.22 378 306 A 10 ASN HBx A 10 ASN HD2y 1.0 . 3.22 379 307 A 11 TRP HD1 A 10 ASN HBy 1.0 . 4.49 380 307 A 11 TRP HD1 A 10 ASN HBx 1.0 . 4.49 381 308 A 11 TRP HE1 A 10 ASN HBy 1.0 . 5.03 382 308 A 11 TRP HE1 A 10 ASN HBx 1.0 . 5.03 383 309 A 11 TRP H A 11 TRP HBx 1.0 . 3.38 384 309 A 11 TRP H A 11 TRP HBy 1.0 . 3.38 385 310 A 12 LEU H A 11 TRP HBx 1.0 . 4.04 386 310 A 12 LEU H A 11 TRP HBy 1.0 . 4.04 387 311 A 12 LEU HA A 11 TRP HBx 1.0 . 4.33 388 311 A 12 LEU HA A 11 TRP HBy 1.0 . 4.33 389 312 A 11 TRP HE3 A 14 TYR HBy 1.0 . 4.38 390 312 A 11 TRP HE3 A 14 TYR HBx 1.0 . 4.38 391 313 A 12 LEU H A 12 LEU HBy 1.0 . 3.10 392 313 A 12 LEU H A 12 LEU HBx 1.0 . 3.10 393 314 A 12 LEU H A 12 LEU HDx% 1.0 . 5.44 394 314 A 12 LEU H A 12 LEU HDy% 1.0 . 5.44 395 315 A 12 LEU HA A 12 LEU HDx% 1.0 . 3.05 396 315 A 12 LEU HA A 12 LEU HDy% 1.0 . 3.05 397 316 A 13 TRP H A 12 LEU HBy 1.0 . 3.25 398 316 A 13 TRP H A 12 LEU HBx 1.0 . 3.25 399 317 A 13 TRP H A 13 TRP HBx 1.0 . 3.37 400 317 A 13 TRP H A 13 TRP HBy 1.0 . 3.37 401 318 A 14 TYR H A 13 TRP HBx 1.0 . 4.05 402 318 A 14 TYR H A 13 TRP HBy 1.0 . 4.05 403 319 A 13 TRP HE3 A 17 LEU HDx% 1.0 . 4.36 404 319 A 13 TRP HE3 A 17 LEU HDy% 1.0 . 4.36 405 320 A 13 TRP HZ3 A 17 LEU HDx% 1.0 . 3.35 406 320 A 13 TRP HZ3 A 17 LEU HDy% 1.0 . 3.35 407 321 A 13 TRP HZ2 A 17 LEU HDx% 1.0 . 4.63 408 321 A 17 LEU HDy% A 13 TRP HZ2 1.0 . 4.63 409 322 A 13 TRP HH2 A 17 LEU HDx% 1.0 . 4.05 410 322 A 17 LEU HDy% A 13 TRP HH2 1.0 . 4.05 411 323 A 14 TYR H A 17 LEU HDx% 1.0 . 4.73 412 323 A 14 TYR H A 17 LEU HDy% 1.0 . 4.73 413 324 A 14 TYR HA A 17 LEU HBy 1.0 . 4.35 414 324 A 14 TYR HA A 17 LEU HBx 1.0 . 4.35 415 325 A 15 ILE H A 14 TYR HBy 1.0 . 4.29 416 325 A 15 ILE H A 14 TYR HBx 1.0 . 4.29 417 326 A 14 TYR HBx A 17 LEU HDx% 1.0 . 4.15 418 326 A 14 TYR HBy A 17 LEU HDx% 1.0 . 4.15 419 326 A 17 LEU HDy% A 14 TYR HBy 1.0 . 4.15 420 326 A 14 TYR HBx A 17 LEU HDy% 1.0 . 4.15 421 327 A 14 TYR HD% A 15 ILE HG1y 1.0 . 4.37 422 327 A 14 TYR HD% A 15 ILE HG1x 1.0 . 4.37 423 328 A 14 TYR HD% A 17 LEU HDx% 1.0 . 4.38 424 328 A 14 TYR HD% A 17 LEU HDy% 1.0 . 4.38 425 329 A 14 TYR HE% A 17 LEU HDx% 1.0 . 4.75 426 329 A 14 TYR HE% A 17 LEU HDy% 1.0 . 4.75 427 330 A 15 ILE H A 15 ILE HG1y 1.0 . 3.44 428 330 A 15 ILE H A 15 ILE HG1x 1.0 . 3.44 429 331 A 15 ILE HA A 15 ILE HG1y 1.0 . 3.33 430 331 A 15 ILE HA A 15 ILE HG1x 1.0 . 3.33 431 332 A 15 ILE HA A 18 PHE HBx 1.0 . 3.52 432 332 A 15 ILE HA A 18 PHE HBy 1.0 . 3.52 433 333 A 15 ILE HG2% A 18 PHE HBx 1.0 . 4.02 434 333 A 15 ILE HG2% A 18 PHE HBy 1.0 . 4.02 435 334 A 16 LYS H A 16 LYS HGy 1.0 . 4.36 436 334 A 16 LYS H A 16 LYS HGx 1.0 . 4.36 437 335 A 16 LYS HA A 19 ILE HG1y 1.0 . 4.72 438 335 A 16 LYS HA A 19 ILE HG1x 1.0 . 4.72 439 336 A 16 LYS HEx A 16 LYS HGy 1.0 . 2.59 440 336 A 16 LYS HEy A 16 LYS HGy 1.0 . 2.59 441 336 A 16 LYS HGx A 16 LYS HEx 1.0 . 2.59 442 336 A 16 LYS HEy A 16 LYS HGx 1.0 . 2.59 443 337 A 17 LEU H A 17 LEU HBy 1.0 . 3.18 444 337 A 17 LEU H A 17 LEU HBx 1.0 . 3.18 445 338 A 17 LEU H A 17 LEU HDx% 1.0 . 3.81 446 338 A 17 LEU H A 17 LEU HDy% 1.0 . 3.81 447 339 A 17 LEU HA A 17 LEU HDx% 1.0 . 3.58 448 339 A 17 LEU HA A 17 LEU HDy% 1.0 . 3.58 449 340 A 17 LEU HA A 20 MET HBx 1.0 . 3.81 450 340 A 17 LEU HA A 20 MET HBy 1.0 . 3.81 451 341 A 18 PHE H A 17 LEU HBy 1.0 . 3.67 452 341 A 18 PHE H A 17 LEU HBx 1.0 . 3.67 453 342 A 18 PHE H A 17 LEU HDx% 1.0 . 4.77 454 342 A 18 PHE H A 17 LEU HDy% 1.0 . 4.77 455 343 A 20 MET H A 17 LEU HDx% 1.0 . 5.44 456 343 A 20 MET H A 17 LEU HDy% 1.0 . 5.44 457 344 A 17 LEU HDy% A 20 MET HBx 1.0 . 4.24 458 344 A 17 LEU HDx% A 20 MET HBx 1.0 . 4.24 459 344 A 20 MET HBy A 17 LEU HDx% 1.0 . 4.24 460 344 A 17 LEU HDy% A 20 MET HBy 1.0 . 4.24 461 345 A 17 LEU HDx% A 20 MET HGy 1.0 . 3.89 462 345 A 17 LEU HDy% A 20 MET HGy 1.0 . 3.89 463 345 A 20 MET HGx A 17 LEU HDx% 1.0 . 3.89 464 345 A 17 LEU HDy% A 20 MET HGx 1.0 . 3.89 465 346 A 19 ILE H A 18 PHE HBx 1.0 . 3.63 466 346 A 19 ILE H A 18 PHE HBy 1.0 . 3.63 467 347 A 18 PHE HD% A 19 ILE HG1y 1.0 . 3.73 468 347 A 18 PHE HD% A 19 ILE HG1x 1.0 . 3.73 469 348 A 19 ILE H A 19 ILE HG1y 1.0 . 3.24 470 348 A 19 ILE H A 19 ILE HG1x 1.0 . 3.24 471 349 A 20 MET H A 20 MET HBx 1.0 . 3.27 472 349 A 20 MET H A 20 MET HBy 1.0 . 3.27 473 350 A 20 MET H A 20 MET HGy 1.0 . 3.52 474 350 A 20 MET H A 20 MET HGx 1.0 . 3.52 475 351 A 20 MET HA A 20 MET HGy 1.0 . 3.54 476 351 A 20 MET HA A 20 MET HGx 1.0 . 3.54 477 352 A 20 MET HE% A 20 MET HBx 1.0 . 4.31 478 352 A 20 MET HE% A 20 MET HBy 1.0 . 4.31 479 353 A 21 ILE H A 20 MET HBx 1.0 . 3.69 480 353 A 21 ILE H A 20 MET HBy 1.0 . 3.69 481 354 A 21 ILE H A 20 MET HGy 1.0 . 5.34 482 354 A 21 ILE H A 20 MET HGx 1.0 . 5.34 483 355 A 21 ILE H A 21 ILE HG1y 1.0 . 3.38 484 355 A 21 ILE H A 21 ILE HG1x 1.0 . 3.38 485 356 A 21 ILE HA A 21 ILE HG1y 1.0 . 3.27 486 356 A 21 ILE HA A 21 ILE HG1x 1.0 . 3.27 487 357 A 22 VAL H A 21 ILE HG1y 1.0 . 4.41 488 357 A 22 VAL H A 21 ILE HG1x 1.0 . 4.41 489 358 A 22 VAL HA A 25 LEU HBy 1.0 . 3.38 490 358 A 22 VAL HA A 25 LEU HBx 1.0 . 3.38 491 359 A 22 VAL HGx% A 25 LEU HBy 1.0 . 5.34 492 359 A 22 VAL HGx% A 25 LEU HBx 1.0 . 5.34 493 360 A 25 LEU H A 25 LEU HBy 1.0 . 3.34 494 360 A 25 LEU H A 25 LEU HBx 1.0 . 3.34 495 361 A 25 LEU H A 25 LEU HDx% 1.0 . 4.50 496 361 A 25 LEU H A 25 LEU HDy% 1.0 . 4.50 497 362 A 25 LEU HA A 25 LEU HDx% 1.0 . 3.21 498 362 A 25 LEU HA A 25 LEU HDy% 1.0 . 3.21 499 363 A 26 VAL H A 25 LEU HBy 1.0 . 3.49 500 363 A 26 VAL H A 25 LEU HBx 1.0 . 3.49 501 364 A 26 VAL H A 25 LEU HDx% 1.0 . 4.52 502 364 A 26 VAL H A 25 LEU HDy% 1.0 . 4.52 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 -165.0 -17.6 PHI 2 2 A 2 LYS C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -150.9 -38.1 PHI 3 3 A 3 LYS C A 4 ASN N A 4 ASN CA A 4 ASN C 1.0 -157.0 -39.1 PHI 4 4 A 4 ASN C A 5 TRP N A 5 TRP CA A 5 TRP C 1.0 -86.5 -48.0 PHI 5 5 A 5 TRP N A 5 TRP CA A 5 TRP C A 6 PHE N 1.0 -57.1 -12.4 PSI 6 6 A 5 TRP C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -88.7 -45.2 PHI 7 7 A 6 PHE N A 6 PHE CA A 6 PHE C A 7 ASP N 1.0 -61.2 -8.2 PSI 8 8 A 6 PHE C A 7 ASP N A 7 ASP CA A 7 ASP C 1.0 -104.1 -38.3 PHI 9 9 A 7 ASP N A 7 ASP CA A 7 ASP C A 8 ILE N 1.0 -68.3 11.2 PSI 10 10 A 7 ASP C A 8 ILE N A 8 ILE CA A 8 ILE C 1.0 -75.7 -55.6 PHI 11 11 A 8 ILE N A 8 ILE CA A 8 ILE C A 9 THR N 1.0 -62.7 1.4 PSI 12 12 A 8 ILE C A 9 THR N A 9 THR CA A 9 THR C 1.0 -94.6 -43.9 PHI 13 13 A 9 THR N A 9 THR CA A 9 THR C A 10 ASN N 1.0 -62.9 -6.4 PSI 14 14 A 9 THR C A 10 ASN N A 10 ASN CA A 10 ASN C 1.0 -112.8 -33.7 PHI 15 15 A 10 ASN N A 10 ASN CA A 10 ASN C A 11 TRP N 1.0 -49.6 8.8 PSI 16 16 A 10 ASN C A 11 TRP N A 11 TRP CA A 11 TRP C 1.0 -87.6 -44.9 PHI 17 17 A 11 TRP N A 11 TRP CA A 11 TRP C A 12 LEU N 1.0 -52.5 -30.4 PSI 18 18 A 11 TRP C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -75.0 -51.4 PHI 19 19 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 TRP N 1.0 -49.9 -29.9 PSI 20 20 A 12 LEU C A 13 TRP N A 13 TRP CA A 13 TRP C 1.0 -86.5 -43.8 PHI 21 21 A 13 TRP N A 13 TRP CA A 13 TRP C A 14 TYR N 1.0 -54.3 -20.2 PSI 22 22 A 13 TRP C A 14 TYR N A 14 TYR CA A 14 TYR C 1.0 -77.0 -57.0 PHI 23 23 A 14 TYR N A 14 TYR CA A 14 TYR C A 15 ILE N 1.0 -50.1 -29.0 PSI 24 24 A 14 TYR C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -77.4 -51.1 PHI 25 25 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 LYS N 1.0 -57.4 -29.0 PSI 26 26 A 15 ILE C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -79.2 -53.6 PHI 27 27 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 LEU N 1.0 -52.7 -29.0 PSI 28 28 A 16 LYS C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -74.7 -53.8 PHI 29 29 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 PHE N 1.0 -54.4 -31.6 PSI 30 30 A 17 LEU C A 18 PHE N A 18 PHE CA A 18 PHE C 1.0 -74.3 -54.4 PHI 31 31 A 18 PHE N A 18 PHE CA A 18 PHE C A 19 ILE N 1.0 -57.8 -28.9 PSI 32 32 A 18 PHE C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -73.9 -53.9 PHI 33 33 A 19 ILE N A 19 ILE CA A 19 ILE C A 20 MET N 1.0 -57.1 -35.1 PSI 34 34 A 19 ILE C A 20 MET N A 20 MET CA A 20 MET C 1.0 -74.6 -51.0 PHI 35 35 A 20 MET N A 20 MET CA A 20 MET C A 21 ILE N 1.0 -54.6 -31.8 PSI 36 36 A 20 MET C A 21 ILE N A 21 ILE CA A 21 ILE C 1.0 -76.9 -55.6 PHI 37 37 A 21 ILE N A 21 ILE CA A 21 ILE C A 22 VAL N 1.0 -54.6 -34.6 PSI 38 38 A 21 ILE C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -77.6 -57.5 PHI 39 39 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 GLY N 1.0 -61.5 -21.1 PSI 40 40 A 22 VAL C A 23 GLY N A 23 GLY CA A 23 GLY C 1.0 -71.8 -44.5 PHI 41 41 A 23 GLY N A 23 GLY CA A 23 GLY C A 24 GLY N 1.0 -57.1 -10.1 PSI 42 42 A 24 GLY C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -96.2 -44.9 PHI 43 43 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 VAL N 1.0 -59.0 1.2 PSI 44 44 A 25 LEU C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -77.8 -51.7 PHI 45 45 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 LYS N 1.0 -56.8 -19.1 PSI 46 46 A 26 VAL C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -91.9 -51.5 PHI 47 47 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 LYS N 1.0 -51.6 -5.2 PSI stop_ save_