data_nef_c26034_2ncs 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 26035 PDB 2NCS PDB 2NCT 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 LYS middle . . 5 A 5 ASP middle . . 6 A 6 LYS middle . . 7 A 7 TRP middle . . 8 A 8 ALA middle . . 9 A 9 SER middle . . 10 A 10 LEU middle . . 11 A 11 TRP middle . . 12 A 12 ASN middle . . 13 A 13 TRP middle . . 14 A 14 PHE middle . . 15 A 15 ASP middle . . 16 A 16 ILE middle . . 17 A 17 THR middle . . 18 A 18 ASN middle . . 19 A 19 TRP middle . . 20 A 20 LEU middle . . 21 A 21 TRP middle . . 22 A 22 TYR middle . . 23 A 23 ILE middle . . 24 A 24 LYS middle . . 25 A 25 LEU middle . . 26 A 26 PHE middle . . 27 A 27 ILE middle . . 28 A 28 MET middle . . 29 A 29 ILE middle . . 30 A 30 VAL middle . . 31 A 31 GLY middle . false 32 A 32 LYS middle . . 33 A 33 LYS middle . . 34 A 34 LYS middle . . 35 A 35 LYS middle . . 36 A 36 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 0.02 A 1 LYS HBx H 1 1.88 0.02 A 1 LYS HBy H 1 1.92 0.02 A 1 LYS HDx H 1 1.71 0.02 A 1 LYS HDy H 1 1.71 0.02 A 1 LYS HEx H 1 2.97 0.02 A 1 LYS HEy H 1 2.97 0.02 A 1 LYS HGx H 1 1.46 0.02 A 1 LYS HGy H 1 1.46 0.02 A 1 LYS CA C 13 55.6 0.1 A 2 LYS H H 1 8.38 0.02 A 2 LYS HA H 1 4.35 0.02 A 2 LYS HBx H 1 1.76 0.02 A 2 LYS HBy H 1 1.82 0.02 A 2 LYS HDx H 1 1.70 0.02 A 2 LYS HDy H 1 1.70 0.02 A 2 LYS HEx H 1 3.00 0.02 A 2 LYS HEy H 1 3.00 0.02 A 2 LYS HGx H 1 1.46 0.02 A 2 LYS HGy H 1 1.46 0.02 A 2 LYS CA C 13 56.4 0.1 A 3 LYS H H 1 8.49 0.02 A 3 LYS HA H 1 4.28 0.02 A 3 LYS HBx H 1 1.76 0.02 A 3 LYS HBy H 1 1.81 0.02 A 3 LYS HDx H 1 1.71 0.02 A 3 LYS HDy H 1 1.71 0.02 A 3 LYS HGx H 1 1.40 0.02 A 3 LYS HGy H 1 1.45 0.02 A 3 LYS CA C 13 56.4 0.1 A 4 LYS H H 1 8.42 0.02 A 4 LYS HA H 1 4.27 0.02 A 4 LYS HBx H 1 1.74 0.02 A 4 LYS HBy H 1 1.77 0.02 A 4 LYS HDx H 1 1.67 0.02 A 4 LYS HDy H 1 1.67 0.02 A 4 LYS HEx H 1 2.97 0.02 A 4 LYS HEy H 1 2.97 0.02 A 4 LYS HGx H 1 1.37 0.02 A 4 LYS HGy H 1 1.42 0.02 A 4 LYS CA C 13 56.8 0.1 A 5 ASP H H 1 8.27 0.02 A 5 ASP HA H 1 4.63 0.02 A 5 ASP HBx H 1 2.71 0.02 A 5 ASP HBy H 1 2.71 0.02 A 5 ASP CA C 13 54.8 0.1 A 5 ASP CB C 13 41.9 0.1 A 6 LYS H H 1 8.53 0.02 A 6 LYS HA H 1 4.05 0.02 A 6 LYS HBx H 1 1.57 0.02 A 6 LYS HBy H 1 1.64 0.02 A 6 LYS HDx H 1 1.50 0.02 A 6 LYS HDy H 1 1.50 0.02 A 6 LYS HEx H 1 2.76 0.02 A 6 LYS HEy H 1 2.76 0.02 A 6 LYS HGx H 1 1.05 0.02 A 6 LYS HGy H 1 1.05 0.02 A 6 LYS CA C 13 57.6 0.1 A 6 LYS CB C 13 32.6 0.1 A 6 LYS CE C 13 41.6 0.1 A 6 LYS CG C 13 24.5 0.1 A 7 TRP H H 1 8.16 0.02 A 7 TRP HA H 1 4.57 0.02 A 7 TRP HBx H 1 3.31 0.02 A 7 TRP HBy H 1 3.38 0.02 A 7 TRP HD1 H 1 7.38 0.02 A 7 TRP HE1 H 1 10.58 0.02 A 7 TRP HE3 H 1 7.51 0.02 A 7 TRP HH2 H 1 7.09 0.02 A 7 TRP HZ2 H 1 7.49 0.02 A 7 TRP HZ3 H 1 6.95 0.02 A 7 TRP CA C 13 58.1 0.1 A 7 TRP CB C 13 29.1 0.1 A 8 ALA H H 1 7.93 0.02 A 8 ALA HA H 1 4.15 0.02 A 8 ALA HB% H 1 1.50 0.02 A 8 ALA CA C 13 54.7 0.1 A 8 ALA CB C 13 18.8 0.1 A 9 SER H H 1 8.09 0.02 A 9 SER HA H 1 4.33 0.02 A 9 SER HBx H 1 3.87 0.02 A 9 SER HBy H 1 3.94 0.02 A 9 SER CA C 13 60.6 0.1 A 9 SER CB C 13 63.0 0.1 A 10 LEU H H 1 7.88 0.02 A 10 LEU HA H 1 4.05 0.02 A 10 LEU HBx H 1 1.52 0.02 A 10 LEU HBy H 1 1.61 0.02 A 10 LEU HDx% H 1 0.69 0.02 A 10 LEU HDy% H 1 0.80 0.02 A 10 LEU HG H 1 1.56 0.02 A 10 LEU CA C 13 58.4 0.1 A 10 LEU CB C 13 42.1 0.1 A 10 LEU CD1 C 13 24.6 0.1 A 10 LEU CD2 C 13 25.1 0.1 A 10 LEU CG C 13 27.2 0.1 A 11 TRP H H 1 7.74 0.02 A 11 TRP HA H 1 4.62 0.02 A 11 TRP HBx H 1 3.22 0.02 A 11 TRP HBy H 1 3.41 0.02 A 11 TRP HD1 H 1 7.29 0.02 A 11 TRP HE1 H 1 10.29 0.02 A 11 TRP HE3 H 1 7.59 0.02 A 11 TRP HH2 H 1 7.03 0.02 A 11 TRP HZ2 H 1 7.42 0.02 A 11 TRP HZ3 H 1 6.90 0.02 A 11 TRP CA C 13 58.8 0.1 A 11 TRP CB C 13 29.5 0.1 A 12 ASN H H 1 7.98 0.02 A 12 ASN HA H 1 4.63 0.02 A 12 ASN HBx H 1 2.82 0.02 A 12 ASN HBy H 1 2.82 0.02 A 12 ASN HD2y H 1 7.59 0.02 A 12 ASN HD2x H 1 6.96 0.02 A 12 ASN CA C 13 54.0 0.1 A 12 ASN CB C 13 38.9 0.1 A 13 TRP H H 1 7.90 0.02 A 13 TRP HA H 1 4.43 0.02 A 13 TRP HBx H 1 3.26 0.02 A 13 TRP HBy H 1 3.26 0.02 A 13 TRP HD1 H 1 7.23 0.02 A 13 TRP HE1 H 1 10.41 0.02 A 13 TRP HE3 H 1 7.36 0.02 A 13 TRP HH2 H 1 7.05 0.02 A 13 TRP HZ2 H 1 7.42 0.02 A 13 TRP HZ3 H 1 6.93 0.02 A 13 TRP CA C 13 59.0 0.1 A 13 TRP CB C 13 29.6 0.1 A 14 PHE H H 1 7.74 0.02 A 14 PHE HA H 1 4.38 0.02 A 14 PHE HBx H 1 2.83 0.02 A 14 PHE HBy H 1 3.04 0.02 A 14 PHE HDx H 1 7.11 0.02 A 14 PHE HDy H 1 7.11 0.02 A 14 PHE CA C 13 57.9 0.1 A 15 ASP H H 1 8.12 0.02 A 15 ASP HA H 1 4.71 0.02 A 15 ASP HBx H 1 2.79 0.02 A 15 ASP HBy H 1 2.79 0.02 A 15 ASP CA C 13 58.2 0.1 A 16 ILE H H 1 8.16 0.02 A 16 ILE HA H 1 3.74 0.02 A 16 ILE HB H 1 1.76 0.02 A 16 ILE HD1% H 1 0.79 0.02 A 16 ILE HG1x H 1 1.20 0.02 A 16 ILE HG1y H 1 1.38 0.02 A 16 ILE HG2% H 1 0.78 0.02 A 16 ILE CA C 13 62.8 0.1 A 16 ILE CB C 13 38.2 0.1 A 16 ILE CD1 C 13 13.8 0.1 A 16 ILE CG1 C 13 28.2 0.1 A 16 ILE CG2 C 13 17.8 0.1 A 17 THR H H 1 8.13 0.02 A 17 THR HA H 1 3.95 0.02 A 17 THR HB H 1 4.10 0.02 A 17 THR HG2% H 1 1.17 0.02 A 17 THR CA C 13 66.0 0.1 A 17 THR CB C 13 68.6 0.1 A 17 THR CG2 C 13 21.8 0.1 A 18 ASN H H 1 8.07 0.02 A 18 ASN HA H 1 4.74 0.02 A 18 ASN HBx H 1 2.79 0.02 A 18 ASN HBy H 1 2.79 0.02 A 18 ASN HD2y H 1 7.89 0.02 A 18 ASN HD2x H 1 6.84 0.02 A 18 ASN CA C 13 54.6 0.1 A 18 ASN CB C 13 38.2 0.1 A 19 TRP H H 1 8.06 0.02 A 19 TRP HA H 1 4.70 0.02 A 19 TRP HBx H 1 3.35 0.02 A 19 TRP HBy H 1 3.41 0.02 A 19 TRP HD1 H 1 7.33 0.02 A 19 TRP HE1 H 1 10.46 0.02 A 19 TRP HE3 H 1 7.40 0.02 A 19 TRP HH2 H 1 6.96 0.02 A 19 TRP HZ2 H 1 7.36 0.02 A 19 TRP HZ3 H 1 6.85 0.02 A 19 TRP CA C 13 59.9 0.1 A 19 TRP CB C 13 29.2 0.1 A 20 LEU H H 1 7.99 0.02 A 20 LEU HA H 1 4.06 0.02 A 20 LEU HBx H 1 1.64 0.02 A 20 LEU HBy H 1 1.75 0.02 A 20 LEU HDx% H 1 0.92 0.02 A 20 LEU HDy% H 1 0.98 0.02 A 20 LEU HG H 1 1.77 0.02 A 20 LEU CA C 13 58.1 0.1 A 20 LEU CB C 13 41.6 0.1 A 20 LEU CD1 C 13 24.2 0.1 A 20 LEU CD2 C 13 24.9 0.1 A 20 LEU CG C 13 27.1 0.1 A 21 TRP H H 1 8.03 0.02 A 21 TRP HA H 1 4.09 0.02 A 21 TRP HBx H 1 3.21 0.02 A 21 TRP HBy H 1 3.31 0.02 A 21 TRP HD1 H 1 7.06 0.02 A 21 TRP HE1 H 1 10.24 0.02 A 21 TRP HE3 H 1 6.65 0.02 A 21 TRP HH2 H 1 7.10 0.02 A 21 TRP HZ2 H 1 7.45 0.02 A 21 TRP HZ3 H 1 6.79 0.02 A 21 TRP CA C 13 58.9 0.1 A 21 TRP CB C 13 29.4 0.1 A 22 TYR H H 1 7.64 0.02 A 22 TYR HA H 1 4.00 0.02 A 22 TYR HBx H 1 3.01 0.02 A 22 TYR HBy H 1 3.18 0.02 A 22 TYR HDx H 1 7.22 0.02 A 22 TYR HDy H 1 7.22 0.02 A 22 TYR HEx H 1 6.88 0.02 A 22 TYR HEy H 1 6.88 0.02 A 22 TYR CA C 13 61.9 0.1 A 23 ILE H H 1 8.09 0.02 A 23 ILE HA H 1 3.77 0.02 A 23 ILE HB H 1 2.13 0.02 A 23 ILE HD1% H 1 0.98 0.02 A 23 ILE HG1x H 1 1.25 0.02 A 23 ILE HG1y H 1 1.95 0.02 A 23 ILE HG2% H 1 1.02 0.02 A 23 ILE CA C 13 65.3 0.1 A 23 ILE CB C 13 37.8 0.1 A 23 ILE CD1 C 13 13.2 0.1 A 23 ILE CG2 C 13 17.8 0.1 A 24 LYS H H 1 8.30 0.02 A 24 LYS HA H 1 3.85 0.02 A 24 LYS HBx H 1 1.81 0.02 A 24 LYS HBy H 1 1.81 0.02 A 24 LYS HDx H 1 1.67 0.02 A 24 LYS HDy H 1 1.67 0.02 A 24 LYS HEx H 1 2.86 0.02 A 24 LYS HEy H 1 2.90 0.02 A 24 LYS HGx H 1 1.34 0.02 A 24 LYS HGy H 1 1.59 0.02 A 24 LYS CA C 13 60.4 0.1 A 24 LYS CB C 13 31.9 0.1 A 24 LYS CE C 13 41.7 0.1 A 24 LYS CG C 13 26.1 0.1 A 25 LEU H H 1 7.68 0.02 A 25 LEU HA H 1 3.89 0.02 A 25 LEU HBx H 1 1.57 0.02 A 25 LEU HBy H 1 1.57 0.02 A 25 LEU HDx% H 1 0.62 0.02 A 25 LEU HDy% H 1 0.74 0.02 A 25 LEU HG H 1 1.37 0.02 A 25 LEU CA C 13 58.0 0.1 A 25 LEU CB C 13 42.0 0.1 A 25 LEU CD1 C 13 24.0 0.1 A 25 LEU CD2 C 13 25.0 0.1 A 25 LEU CG C 13 26.9 0.1 A 26 PHE H H 1 8.26 0.02 A 26 PHE HA H 1 4.14 0.02 A 26 PHE HBx H 1 3.23 0.02 A 26 PHE HBy H 1 3.37 0.02 A 26 PHE HDx H 1 7.11 0.02 A 26 PHE HDy H 1 7.11 0.02 A 26 PHE CA C 13 61.5 0.1 A 27 ILE H H 1 8.39 0.02 A 27 ILE HA H 1 3.47 0.02 A 27 ILE HB H 1 2.00 0.02 A 27 ILE HD1% H 1 0.89 0.02 A 27 ILE HG1x H 1 1.19 0.02 A 27 ILE HG1y H 1 1.96 0.02 A 27 ILE HG2% H 1 0.93 0.02 A 27 ILE CA C 13 65.3 0.1 A 27 ILE CB C 13 37.9 0.1 A 27 ILE CD1 C 13 13.9 0.1 A 27 ILE CG1 C 13 29.6 0.1 A 27 ILE CG2 C 13 17.6 0.1 A 28 MET H H 1 7.99 0.02 A 28 MET HA H 1 4.09 0.02 A 28 MET HBx H 1 2.21 0.02 A 28 MET HBy H 1 2.27 0.02 A 28 MET HE% H 1 2.05 0.02 A 28 MET HGx H 1 2.50 0.02 A 28 MET HGy H 1 2.73 0.02 A 28 MET CA C 13 58.1 0.1 A 28 MET CB C 13 32.4 0.1 A 28 MET CE C 13 17.0 0.1 A 28 MET CG C 13 32.1 0.1 A 29 ILE H H 1 8.22 0.02 A 29 ILE HA H 1 3.73 0.02 A 29 ILE HB H 1 1.95 0.02 A 29 ILE HD1% H 1 0.84 0.02 A 29 ILE HG1x H 1 1.22 0.02 A 29 ILE HG1y H 1 1.77 0.02 A 29 ILE HG2% H 1 0.88 0.02 A 29 ILE CA C 13 64.8 0.1 A 29 ILE CB C 13 38.0 0.1 A 29 ILE CD1 C 13 13.6 0.1 A 29 ILE CG1 C 13 28.9 0.1 A 29 ILE CG2 C 13 17.6 0.1 A 30 VAL H H 1 8.18 0.02 A 30 VAL HA H 1 3.57 0.02 A 30 VAL HB H 1 1.92 0.02 A 30 VAL HGx% H 1 0.66 0.02 A 30 VAL HGy% H 1 0.77 0.02 A 30 VAL CA C 13 65.9 0.1 A 30 VAL CB C 13 31.4 0.1 A 30 VAL CG1 C 13 22.5 0.1 A 30 VAL CG2 C 13 21.9 0.1 A 31 GLY H H 1 8.12 0.02 A 31 GLY HAx H 1 3.85 0.02 A 31 GLY HAy H 1 3.85 0.02 A 32 LYS H H 1 7.72 0.02 A 32 LYS HA H 1 4.18 0.02 A 32 LYS HBx H 1 1.93 0.02 A 32 LYS HBy H 1 1.93 0.02 A 32 LYS HDx H 1 1.70 0.02 A 32 LYS HDy H 1 1.70 0.02 A 32 LYS HEx H 1 2.96 0.02 A 32 LYS HEy H 1 2.96 0.02 A 32 LYS HGx H 1 1.50 0.02 A 32 LYS HGy H 1 1.57 0.02 A 32 LYS CA C 13 57.7 0.1 A 32 LYS CB C 13 31.5 0.1 A 33 LYS H H 1 7.97 0.02 A 33 LYS HA H 1 4.23 0.02 A 33 LYS HBx H 1 1.69 0.02 A 33 LYS HBy H 1 1.87 0.02 A 33 LYS HGx H 1 1.50 0.02 A 33 LYS HGy H 1 1.50 0.02 A 33 LYS CA C 13 56.8 0.1 A 34 LYS H H 1 8.09 0.02 A 34 LYS HA H 1 4.24 0.02 A 34 LYS HBx H 1 1.80 0.02 A 34 LYS HBy H 1 1.86 0.02 A 34 LYS HDx H 1 1.68 0.02 A 34 LYS HDy H 1 1.68 0.02 A 34 LYS HGx H 1 1.49 0.02 A 34 LYS HGy H 1 1.49 0.02 A 34 LYS CA C 13 56.5 0.1 A 35 LYS H H 1 8.19 0.02 A 35 LYS HA H 1 4.25 0.02 A 35 LYS CA C 13 56.2 0.1 A 36 LYS H H 1 8.19 0.02 A 36 LYS HA H 1 4.25 0.02 A 36 LYS HBx H 1 1.78 0.02 A 36 LYS HBy H 1 1.84 0.02 A 36 LYS HDx H 1 1.69 0.02 A 36 LYS HDy H 1 1.69 0.02 A 36 LYS HGx H 1 1.48 0.02 A 36 LYS HGy H 1 1.48 0.02 A 36 LYS CA C 13 56.2 0.1 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 24 LYS HBy A 24 LYS HGy 1.0 . 2.40 2 1 A 24 LYS HBx A 24 LYS HGy 1.0 . 2.40 3 2 A 24 LYS HBy A 24 LYS HGx 1.0 . 2.40 4 2 A 24 LYS HGx A 24 LYS HBx 1.0 . 2.40 5 3 A 23 ILE HB A 23 ILE HD1% 1.0 . 2.55 6 4 A 6 LYS HGy A 6 LYS HBy 1.0 . 2.55 7 4 A 6 LYS HBy A 6 LYS HGx 1.0 . 2.55 8 5 A 6 LYS HGy A 6 LYS HBx 1.0 . 2.55 9 5 A 6 LYS HBx A 6 LYS HGx 1.0 . 2.55 10 6 A 6 LYS HDx A 6 LYS HGx 1.0 . 2.40 11 6 A 6 LYS HDy A 6 LYS HGx 1.0 . 2.40 12 6 A 6 LYS HGy A 6 LYS HDx 1.0 . 2.40 13 6 A 6 LYS HGy A 6 LYS HDy 1.0 . 2.40 14 7 A 10 LEU HBy A 10 LEU HDx% 1.0 . 2.70 15 8 A 10 LEU HDx% A 10 LEU HBx 1.0 . 2.40 16 9 A 10 LEU HBy A 10 LEU HDy% 1.0 . 2.40 17 10 A 16 ILE HB A 16 ILE HD1% 1.0 . 2.84 18 11 A 29 ILE HG2% A 29 ILE HG1x 1.0 . 2.40 19 12 A 23 ILE HB A 23 ILE HG1x 1.0 . 2.55 20 13 A 23 ILE HG1x A 23 ILE HG2% 1.0 . 2.40 21 14 A 25 LEU HDy% A 25 LEU HBx 1.0 . 2.40 22 14 A 25 LEU HBy A 25 LEU HDy% 1.0 . 2.40 23 15 A 25 LEU HDx% A 25 LEU HBx 1.0 . 2.40 24 15 A 25 LEU HBy A 25 LEU HDx% 1.0 . 2.40 25 16 A 25 LEU HDx% A 28 MET HE% 1.0 . 2.40 26 17 A 25 LEU HDy% A 28 MET HE% 1.0 . 2.85 27 18 A 23 ILE HG2% A 23 ILE HG1y 1.0 . 2.55 28 19 A 29 ILE HB A 29 ILE HG1y 1.0 . 2.70 29 20 A 25 LEU HDx% A 29 ILE HD1% 1.0 . 2.70 30 21 A 20 LEU HDx% A 20 LEU HBx 1.0 . 4.16 31 22 A 20 LEU HBx A 20 LEU HDy% 1.0 . 4.16 32 23 A 34 LYS HDy A 30 VAL HGy% 1.0 . 4.25 33 23 A 30 VAL HGy% A 34 LYS HDx 1.0 . 4.25 34 24 A 28 MET HE% A 28 MET HBx 1.0 . 2.55 35 25 A 28 MET HBx A 28 MET HGy 1.0 . 2.40 36 26 A 28 MET HGy A 28 MET HBy 1.0 . 3.00 37 27 A 17 THR HA A 17 THR HG2% 1.0 . 3.86 38 28 A 30 VAL HA A 30 VAL HGx% 1.0 . 3.34 39 29 A 28 MET HBy A 25 LEU HA 1.0 . 5.29 40 30 A 27 ILE HA A 27 ILE HD1% 1.0 . 3.94 41 31 A 27 ILE HA A 27 ILE HG1y 1.0 . 3.62 42 32 A 23 ILE HG2% A 20 LEU HA 1.0 . 4.14 43 33 A 25 LEU HDx% A 22 TYR HA 1.0 . 4.99 44 34 A 23 ILE HG1x A 23 ILE HA 1.0 . 3.66 45 35 A 25 LEU HA A 25 LEU HG 1.0 . 3.77 46 36 A 27 ILE HA A 30 VAL HGy% 1.0 . 4.69 47 37 A 27 ILE HA A 30 VAL HB 1.0 . 4.17 48 38 A 28 MET HE% A 25 LEU HA 1.0 . 2.79 49 39 A 34 LYS HA A 34 LYS HDx 1.0 . 4.77 50 39 A 34 LYS HDy A 34 LYS HA 1.0 . 4.77 51 40 A 23 ILE HA A 26 PHE HBx 1.0 . 4.75 52 41 A 23 ILE HA A 26 PHE HBy 1.0 . 4.33 53 42 A 32 LYS HA A 32 LYS HBx 1.0 . 2.40 54 42 A 32 LYS HA A 32 LYS HBy 1.0 . 2.40 55 43 A 6 LYS HA A 6 LYS HBx 1.0 . 2.96 56 44 A 10 LEU HA A 10 LEU HG 1.0 . 2.77 57 45 A 6 LYS HA A 6 LYS HBy 1.0 . 2.96 58 46 A 28 MET HBy A 28 MET HA 1.0 . 2.55 59 47 A 22 TYR HA A 25 LEU HBx 1.0 . 2.55 60 47 A 25 LEU HBy A 22 TYR HA 1.0 . 2.55 61 48 A 30 VAL HA A 30 VAL HGy% 1.0 . 3.34 62 49 A 24 LYS HA A 24 LYS HBx 1.0 . 2.55 63 49 A 24 LYS HBy A 24 LYS HA 1.0 . 2.55 64 50 A 27 ILE HG1y A 24 LYS HA 1.0 . 3.10 65 51 A 23 ILE HG2% A 23 ILE HA 1.0 . 3.53 66 52 A 23 ILE HD1% A 23 ILE HA 1.0 . 3.92 67 53 A 10 LEU HDy% A 10 LEU HA 1.0 . 3.68 68 54 A 10 LEU HDx% A 10 LEU HA 1.0 . 3.80 69 55 A 6 LYS HA A 6 LYS HGx 1.0 . 3.50 70 55 A 6 LYS HGy A 6 LYS HA 1.0 . 3.50 71 56 A 29 ILE HG2% A 29 ILE HA 1.0 . 3.13 72 57 A 16 ILE HA A 16 ILE HG2% 1.0 . 3.49 73 58 A 16 ILE HD1% A 16 ILE HA 1.0 . 4.01 74 59 A 29 ILE HG1x A 29 ILE HA 1.0 . 2.85 75 60 A 25 LEU HDx% A 25 LEU HA 1.0 . 3.51 76 61 A 25 LEU HA A 25 LEU HBx 1.0 . 2.55 77 61 A 25 LEU HBy A 25 LEU HA 1.0 . 2.55 78 62 A 27 ILE HA A 27 ILE HG2% 1.0 . 3.36 79 63 A 27 ILE HA A 30 VAL HGx% 1.0 . 4.69 80 64 A 10 LEU HDx% A 14 PHE HBx 1.0 . 4.52 81 65 A 27 ILE HD1% A 24 LYS HA 1.0 . 3.45 82 66 A 23 ILE HD1% A 20 LEU HA 1.0 . 3.67 83 67 A 28 MET HA A 27 ILE HG2% 1.0 . 3.88 84 68 A 23 ILE HG1y A 26 PHE HBy 1.0 . 5.12 85 69 A 26 PHE HBy A 27 ILE HG1x 1.0 . 5.48 86 70 A 27 ILE HG1y A 26 PHE HA 1.0 . 5.39 87 71 A 29 ILE HD1% A 26 PHE HA 1.0 . 3.84 88 72 A 16 ILE HA A 16 ILE HG1x 1.0 . 4.00 89 73 A 27 ILE HD1% A 26 PHE HBy 1.0 . 5.47 90 74 A 20 LEU HA A 20 LEU HG 1.0 . 3.00 91 75 A 23 ILE HB A 20 LEU HA 1.0 . 2.70 92 76 A 25 LEU HDy% A 26 PHE H 1.0 . 4.39 93 77 A 25 LEU HG A 26 PHE H 1.0 . 5.50 94 78 A 26 PHE H A 25 LEU HBx 1.0 . 4.80 95 78 A 25 LEU HBy A 26 PHE H 1.0 . 4.80 96 79 A 23 ILE HG1y A 23 ILE H 1.0 . 4.18 97 80 A 27 ILE H A 27 ILE HB 1.0 . 3.47 98 81 A 27 ILE HG1x A 27 ILE H 1.0 . 4.78 99 82 A 27 ILE HG1x A 26 PHE HD% 1.0 . 4.81 100 83 A 30 VAL HB A 26 PHE HD% 1.0 . 4.93 101 84 A 23 ILE HG1y A 19 TRP HZ3 1.0 . 5.50 102 85 A 23 ILE HG1y A 19 TRP HE3 1.0 . 5.50 103 86 A 8 ALA HB% A 11 TRP HZ2 1.0 . 5.50 104 87 A 10 LEU HBx A 11 TRP HH2 1.0 . 5.28 105 88 A 10 LEU HBx A 11 TRP HE3 1.0 . 5.14 106 89 A 17 THR HG2% A 13 TRP HZ2 1.0 . 3.92 107 90 A 17 THR HG2% A 19 TRP HD1 1.0 . 5.50 108 91 A 27 ILE HG1y A 26 PHE HD% 1.0 . 4.23 109 92 A 10 LEU HDx% A 7 TRP HE3 1.0 . 3.01 110 93 A 25 LEU HDy% A 21 TRP HZ2 1.0 . 3.20 111 94 A 10 LEU HDy% A 11 TRP HZ2 1.0 . 5.50 112 95 A 25 LEU HDx% A 21 TRP HZ2 1.0 . 4.54 113 96 A 10 LEU HDx% A 7 TRP HZ3 1.0 . 2.97 114 97 A 10 LEU HDy% A 7 TRP HZ3 1.0 . 4.62 115 98 A 25 LEU HDy% A 21 TRP HZ3 1.0 . 3.81 116 99 A 25 LEU HDx% A 21 TRP HE3 1.0 . 5.50 117 100 A 25 LEU HG A 22 TYR HD% 1.0 . 5.50 118 101 A 22 TYR HA A 22 TYR HD% 1.0 . 3.97 119 102 A 27 ILE HD1% A 27 ILE H 1.0 . 3.69 120 103 A 26 PHE HA A 26 PHE HD% 1.0 . 3.60 121 104 A 20 LEU HDx% A 24 LYS HEx 1.0 . 5.33 122 105 A 24 LYS HEx A 20 LEU HDy% 1.0 . 5.33 123 106 A 25 LEU HDx% A 28 MET HGx 1.0 . 5.50 124 107 A 29 ILE HG2% A 32 LYS HEx 1.0 . 4.14 125 107 A 29 ILE HG2% A 32 LYS HEy 1.0 . 4.14 126 108 A 27 ILE HG2% A 27 ILE H 1.0 . 3.85 127 109 A 13 TRP HE3 A 13 TRP HBx 1.0 . 2.82 128 109 A 13 TRP HBy A 13 TRP HE3 1.0 . 2.82 129 110 A 30 VAL HA A 26 PHE HD% 1.0 . 5.50 130 111 A 7 TRP HD1 A 6 LYS HEx 1.0 . 5.50 131 111 A 6 LYS HEy A 7 TRP HD1 1.0 . 5.50 132 112 A 7 TRP HD1 A 5 ASP HBx 1.0 . 5.50 133 112 A 7 TRP HD1 A 5 ASP HBy 1.0 . 5.50 134 113 A 17 THR HG2% A 13 TRP HH2 1.0 . 4.67 135 114 A 7 TRP HH2 A 6 LYS HEx 1.0 . 5.47 136 114 A 6 LYS HEy A 7 TRP HH2 1.0 . 5.47 137 115 A 26 PHE HBx A 26 PHE H 1.0 . 3.51 138 116 A 13 TRP HE3 A 13 TRP HA 1.0 . 5.36 139 117 A 10 LEU HA A 13 TRP HE3 1.0 . 5.50 140 118 A 11 TRP HBx A 11 TRP HD1 1.0 . 2.94 141 119 A 7 TRP HE3 A 7 TRP HBy 1.0 . 3.75 142 120 A 25 LEU HDy% A 22 TYR HE% 1.0 . 5.33 143 121 A 27 ILE HG2% A 26 PHE HD% 1.0 . 5.50 144 122 A 10 LEU HDx% A 13 TRP HE3 1.0 . 4.00 145 123 A 10 LEU HDx% A 7 TRP HH2 1.0 . 4.24 146 124 A 29 ILE HD1% A 26 PHE HD% 1.0 . 3.82 147 125 A 10 LEU HDx% A 11 TRP HH2 1.0 . 3.71 148 126 A 10 LEU HDx% A 11 TRP HZ3 1.0 . 3.16 149 127 A 23 ILE HD1% A 19 TRP HE3 1.0 . 3.01 150 128 A 23 ILE HG1x A 19 TRP HE3 1.0 . 5.50 151 129 A 7 TRP HZ3 A 6 LYS HEx 1.0 . 5.50 152 129 A 7 TRP HZ3 A 6 LYS HEy 1.0 . 5.50 153 130 A 24 LYS HA A 27 ILE HG1x 1.0 . 4.39 154 131 A 27 ILE HA A 27 ILE HG1x 1.0 . 3.16 155 132 A 23 ILE HG2% A 27 ILE HA 1.0 . 5.48 156 133 A 17 THR HG2% A 17 THR H 1.0 . 4.00 157 134 A 25 LEU HA A 28 MET HGx 1.0 . 5.00 158 135 A 28 MET HGy A 25 LEU HA 1.0 . 4.00 159 136 A 28 MET HBx A 25 LEU HA 1.0 . 4.00 160 137 A 28 MET H A 29 ILE H 1.0 . 4.00 161 138 A 27 ILE H A 28 MET H 1.0 . 4.00 162 139 A 28 MET HGy A 29 ILE H 1.0 . 4.25 163 140 A 28 MET HGx A 29 ILE H 1.0 . 4.75 164 141 A 26 PHE HBx A 27 ILE H 1.0 . 4.25 165 142 A 26 PHE H A 26 PHE HD% 1.0 . 4.25 166 143 A 26 PHE H A 27 ILE H 1.0 . 4.00 167 144 A 26 PHE H A 25 LEU H 1.0 . 4.00 168 145 A 27 ILE HG1y A 24 LYS HBx 1.0 . 5.00 169 145 A 24 LYS HBy A 27 ILE HG1y 1.0 . 5.00 170 146 A 24 LYS H A 25 LEU HBx 1.0 . 5.22 171 146 A 25 LEU HBy A 24 LYS H 1.0 . 5.22 172 147 A 24 LYS H A 24 LYS HGx 1.0 . 4.50 173 148 A 27 ILE HG1y A 25 LEU H 1.0 . 5.00 174 149 A 25 LEU H A 24 LYS H 1.0 . 4.00 175 150 A 23 ILE HA A 27 ILE H 1.0 . 4.75 176 151 A 23 ILE HA A 26 PHE H 1.0 . 4.00 177 152 A 13 TRP HA A 13 TRP HD1 1.0 . 4.00 178 153 A 11 TRP HD1 A 11 TRP HA 1.0 . 5.00 179 154 A 11 TRP HE3 A 11 TRP HA 1.0 . 4.00 180 155 A 5 ASP H A 6 LYS H 1.0 . 4.50 181 156 A 8 ALA H A 9 SER H 1.0 . 4.00 182 157 A 9 SER H A 10 LEU H 1.0 . 4.00 183 158 A 9 SER H A 9 SER HBy 1.0 . 4.00 184 159 A 10 LEU H A 9 SER HBx 1.0 . 4.00 185 160 A 10 LEU H A 9 SER HBy 1.0 . 4.00 186 161 A 11 TRP HBx A 11 TRP H 1.0 . 4.00 187 162 A 10 LEU HA A 11 TRP HE3 1.0 . 5.00 188 163 A 13 TRP H A 14 PHE H 1.0 . 4.62 189 164 A 13 TRP H A 13 TRP HBx 1.0 . 4.00 190 164 A 13 TRP HBy A 13 TRP H 1.0 . 4.00 191 165 A 29 ILE HA A 32 LYS H 1.0 . 4.00 192 166 A 32 LYS H A 32 LYS HBx 1.0 . 4.00 193 166 A 32 LYS HBy A 32 LYS H 1.0 . 4.00 194 167 A 11 TRP HD1 A 8 ALA HA 1.0 . 4.00 195 168 A 8 ALA HB% A 9 SER H 1.0 . 4.22 196 169 A 10 LEU H A 11 TRP H 1.0 . 4.00 197 170 A 10 LEU HDx% A 11 TRP H 1.0 . 5.00 198 171 A 10 LEU HDy% A 11 TRP H 1.0 . 4.00 199 172 A 10 LEU HBx A 11 TRP H 1.0 . 4.00 200 173 A 10 LEU HBy A 11 TRP H 1.0 . 4.00 201 174 A 10 LEU HBy A 11 TRP HE3 1.0 . 4.00 202 175 A 10 LEU HDx% A 11 TRP HE3 1.0 . 4.50 203 176 A 10 LEU HDy% A 11 TRP HE3 1.0 . 4.00 204 177 A 11 TRP HBx A 12 ASN H 1.0 . 4.00 205 178 A 12 ASN H A 11 TRP HBy 1.0 . 4.35 206 179 A 9 SER HA A 12 ASN HBx 1.0 . 4.00 207 179 A 9 SER HA A 12 ASN HBy 1.0 . 4.00 208 180 A 12 ASN H A 9 SER HA 1.0 . 4.00 209 181 A 11 TRP HE3 A 11 TRP H 1.0 . 4.00 210 182 A 21 TRP HA A 21 TRP HD1 1.0 . 4.00 211 183 A 23 ILE H A 24 LYS H 1.0 . 4.00 212 184 A 24 LYS HA A 27 ILE H 1.0 . 4.00 213 185 A 5 ASP H A 5 ASP HBx 1.0 . 4.00 214 185 A 5 ASP HBy A 5 ASP H 1.0 . 4.00 215 186 A 12 ASN H A 12 ASN HBx 1.0 . 4.00 216 186 A 12 ASN H A 12 ASN HBy 1.0 . 4.00 217 187 A 22 TYR H A 22 TYR HBy 1.0 . 4.00 218 188 A 22 TYR H A 22 TYR HBx 1.0 . 4.00 219 189 A 22 TYR HA A 25 LEU H 1.0 . 4.00 220 190 A 32 LYS H A 31 GLY H 1.0 . 4.00 221 191 A 6 LYS H A 5 ASP HBx 1.0 . 4.00 222 191 A 5 ASP HBy A 6 LYS H 1.0 . 4.00 223 192 A 8 ALA H A 5 ASP HBx 1.0 . 4.00 224 192 A 5 ASP HBy A 8 ALA H 1.0 . 4.00 225 193 A 23 ILE HB A 23 ILE H 1.0 . 4.00 226 194 A 23 ILE HB A 24 LYS H 1.0 . 4.00 227 195 A 28 MET HBy A 28 MET H 1.0 . 4.00 228 196 A 28 MET HBx A 28 MET H 1.0 . 4.00 229 197 A 28 MET HBy A 29 ILE H 1.0 . 4.00 230 198 A 12 ASN HD2x A 12 ASN HBx 1.0 . 4.00 231 198 A 12 ASN HBy A 12 ASN HD2x 1.0 . 4.00 232 199 A 15 ASP H A 15 ASP HBx 1.0 . 4.00 233 199 A 15 ASP H A 15 ASP HBy 1.0 . 4.00 234 200 A 18 ASN HD2x A 18 ASN HBx 1.0 . 4.00 235 200 A 18 ASN HBy A 18 ASN HD2x 1.0 . 4.00 236 201 A 8 ALA HB% A 8 ALA H 1.0 . 4.00 237 202 A 10 LEU HBy A 10 LEU H 1.0 . 4.00 238 203 A 17 THR HA A 19 TRP HD1 1.0 . 4.25 239 204 A 30 VAL HB A 30 VAL H 1.0 . 4.00 240 205 A 30 VAL HB A 31 GLY H 1.0 . 4.25 241 206 A 30 VAL HA A 32 LYS H 1.0 . 4.00 242 207 A 33 LYS H A 33 LYS HGx 1.0 . 4.37 243 207 A 33 LYS H A 33 LYS HGy 1.0 . 4.37 244 208 A 30 VAL HA A 33 LYS H 1.0 . 4.50 245 209 A 13 TRP H A 12 ASN HBx 1.0 . 4.00 246 209 A 13 TRP H A 12 ASN HBy 1.0 . 4.00 247 210 A 25 LEU HDy% A 22 TYR HA 1.0 . 4.00 248 211 A 25 LEU HDy% A 25 LEU H 1.0 . 4.00 249 212 A 25 LEU HDx% A 25 LEU H 1.0 . 4.25 250 213 A 32 LYS H A 33 LYS H 1.0 . 4.00 251 214 A 14 PHE HA A 14 PHE HD% 1.0 . 4.00 252 215 A 19 TRP H A 18 ASN HBx 1.0 . 5.50 253 215 A 18 ASN HBy A 19 TRP H 1.0 . 5.50 254 216 A 2 LYS HA A 2 LYS HDx 1.0 . 4.00 255 216 A 2 LYS HA A 2 LYS HDy 1.0 . 4.00 256 217 A 2 LYS HA A 2 LYS HGx 1.0 . 4.00 257 217 A 2 LYS HA A 2 LYS HGy 1.0 . 4.00 258 218 A 3 LYS HA A 3 LYS HGy 1.0 . 4.00 259 219 A 3 LYS HA A 3 LYS HGx 1.0 . 4.00 260 220 A 3 LYS H A 2 LYS HBy 1.0 . 4.43 261 221 A 3 LYS H A 2 LYS HBx 1.0 . 4.43 262 222 A 3 LYS H A 2 LYS HGx 1.0 . 4.54 263 222 A 2 LYS HGy A 3 LYS H 1.0 . 4.54 264 223 A 4 LYS H A 4 LYS HGy 1.0 . 4.00 265 224 A 4 LYS H A 4 LYS HGx 1.0 . 4.00 266 225 A 6 LYS HA A 6 LYS HDx 1.0 . 4.25 267 225 A 6 LYS HDy A 6 LYS HA 1.0 . 4.25 268 226 A 6 LYS H A 6 LYS HBy 1.0 . 4.00 269 227 A 6 LYS H A 6 LYS HBx 1.0 . 4.00 270 228 A 6 LYS H A 6 LYS HDx 1.0 . 4.25 271 228 A 6 LYS HDy A 6 LYS H 1.0 . 4.25 272 229 A 8 ALA HB% A 5 ASP HBx 1.0 . 4.50 273 229 A 8 ALA HB% A 5 ASP HBy 1.0 . 4.50 274 230 A 10 LEU HBx A 10 LEU HDy% 1.0 . 4.00 275 231 A 10 LEU HBx A 10 LEU H 1.0 . 4.00 276 232 A 10 LEU HDx% A 10 LEU H 1.0 . 4.25 277 233 A 10 LEU HDy% A 10 LEU H 1.0 . 4.50 278 234 A 14 PHE HBx A 13 TRP HE3 1.0 . 4.00 279 235 A 12 ASN HD2y A 12 ASN HBx 1.0 . 4.00 280 235 A 12 ASN HBy A 12 ASN HD2y 1.0 . 4.00 281 236 A 14 PHE H A 14 PHE HD% 1.0 . 4.25 282 237 A 14 PHE HBx A 14 PHE H 1.0 . 4.00 283 238 A 14 PHE H A 14 PHE HBy 1.0 . 4.00 284 239 A 16 ILE HA A 16 ILE HG1y 1.0 . 4.00 285 240 A 16 ILE H A 16 ILE HG1y 1.0 . 4.00 286 241 A 16 ILE H A 16 ILE HG1x 1.0 . 4.00 287 242 A 33 LYS H A 34 LYS H 1.0 . 4.00 288 243 A 19 TRP HD1 A 18 ASN HBx 1.0 . 4.00 289 243 A 19 TRP HD1 A 18 ASN HBy 1.0 . 4.00 290 244 A 19 TRP HD1 A 19 TRP H 1.0 . 4.01 291 245 A 23 ILE HG2% A 23 ILE H 1.0 . 4.00 292 246 A 23 ILE HD1% A 23 ILE H 1.0 . 4.00 293 247 A 23 ILE HG1x A 23 ILE H 1.0 . 4.00 294 248 A 24 LYS HA A 27 ILE HB 1.0 . 4.00 295 249 A 24 LYS H A 24 LYS HBx 1.0 . 4.00 296 249 A 24 LYS HBy A 24 LYS H 1.0 . 4.00 297 250 A 24 LYS H A 24 LYS HGy 1.0 . 4.50 298 251 A 27 ILE HG1y A 24 LYS H 1.0 . 4.75 299 252 A 10 LEU HDy% A 13 TRP HE3 1.0 . 4.00 300 253 A 23 ILE HD1% A 22 TYR HD% 1.0 . 4.75 301 254 A 25 LEU HDy% A 22 TYR HD% 1.0 . 4.25 302 255 A 10 LEU HDy% A 11 TRP HZ3 1.0 . 4.00 303 256 A 7 TRP HZ3 A 6 LYS HDx 1.0 . 4.00 304 256 A 6 LYS HDy A 7 TRP HZ3 1.0 . 4.00 305 257 A 29 ILE HB A 26 PHE HD% 1.0 . 4.00 306 258 A 25 LEU HDy% A 25 LEU HA 1.0 . 4.00 307 259 A 25 LEU HG A 25 LEU H 1.0 . 4.25 308 260 A 25 LEU H A 25 LEU HBx 1.0 . 4.00 309 260 A 25 LEU HBy A 25 LEU H 1.0 . 4.00 310 261 A 24 LYS HA A 27 ILE HG2% 1.0 . 4.50 311 262 A 27 ILE HG1y A 27 ILE H 1.0 . 4.00 312 263 A 28 MET HE% A 28 MET HGx 1.0 . 4.00 313 264 A 28 MET HE% A 28 MET HGy 1.0 . 4.00 314 265 A 28 MET HA A 28 MET HGx 1.0 . 4.00 315 266 A 28 MET HGy A 28 MET HA 1.0 . 4.00 316 267 A 28 MET HGy A 28 MET H 1.0 . 4.00 317 268 A 28 MET HGx A 28 MET H 1.0 . 4.00 318 269 A 28 MET HE% A 25 LEU HG 1.0 . 5.50 319 270 A 23 ILE HG2% A 24 LYS HBx 1.0 . 4.00 320 270 A 24 LYS HBy A 23 ILE HG2% 1.0 . 4.00 321 271 A 30 VAL HA A 34 LYS HDx 1.0 . 5.00 322 271 A 34 LYS HDy A 30 VAL HA 1.0 . 5.00 323 272 A 32 LYS HA A 32 LYS HDx 1.0 . 4.00 324 272 A 32 LYS HA A 32 LYS HDy 1.0 . 4.00 325 273 A 29 ILE HA A 32 LYS HDx 1.0 . 4.00 326 273 A 29 ILE HA A 32 LYS HDy 1.0 . 4.00 327 274 A 32 LYS H A 32 LYS HDx 1.0 . 4.25 328 274 A 32 LYS H A 32 LYS HDy 1.0 . 4.25 329 275 A 34 LYS H A 34 LYS HDx 1.0 . 4.98 330 275 A 34 LYS HDy A 34 LYS H 1.0 . 4.98 331 276 A 35 LYS H A 34 LYS HDx 1.0 . 5.50 332 276 A 34 LYS HDy A 35 LYS H 1.0 . 5.50 333 277 A 36 LYS H A 36 LYS HBx 1.0 . 4.00 334 278 A 36 LYS H A 36 LYS HDx 1.0 . 4.00 335 278 A 36 LYS H A 36 LYS HDy 1.0 . 4.00 336 279 A 36 LYS H A 36 LYS HGx 1.0 . 4.00 337 279 A 36 LYS H A 36 LYS HGy 1.0 . 4.00 338 280 A 36 LYS H A 36 LYS HBy 1.0 . 4.00 339 281 A 17 THR HA A 20 LEU HDx% 1.0 . 4.50 340 282 A 29 ILE HG2% A 26 PHE HA 1.0 . 4.25 341 283 A 16 ILE HA A 19 TRP HD1 1.0 . 4.00 342 284 A 22 TYR HA A 21 TRP HZ3 1.0 . 4.00 343 285 A 22 TYR HA A 22 TYR HE% 1.0 . 4.25 344 286 A 22 TYR HD% A 22 TYR H 1.0 . 4.25 345 287 A 22 TYR HA A 21 TRP HE3 1.0 . 4.00 346 288 A 8 ALA H A 7 TRP H 1.0 . 4.00 347 289 A 6 LYS H A 7 TRP H 1.0 . 4.00 348 290 A 7 TRP HE3 A 7 TRP H 1.0 . 4.50 349 291 A 7 TRP HD1 A 7 TRP HA 1.0 . 4.75 350 292 A 7 TRP HE3 A 7 TRP HA 1.0 . 4.00 351 293 A 7 TRP HD1 A 7 TRP H 1.0 . 4.00 352 294 A 7 TRP H A 7 TRP HBx 1.0 . 4.00 353 295 A 7 TRP HBy A 7 TRP H 1.0 . 4.00 354 296 A 10 LEU HBx A 11 TRP HZ3 1.0 . 5.00 355 297 A 10 LEU HDy% A 11 TRP HH2 1.0 . 4.25 356 298 A 21 TRP H A 21 TRP HBx 1.0 . 4.00 357 299 A 21 TRP H A 21 TRP HBy 1.0 . 4.00 358 300 A 21 TRP HE3 A 22 TYR H 1.0 . 4.00 359 301 A 21 TRP HE3 A 21 TRP HA 1.0 . 4.25 360 302 A 21 TRP HE3 A 22 TYR HD% 1.0 . 4.00 361 303 A 21 TRP HZ3 A 22 TYR HE% 1.0 . 4.00 362 304 A 13 TRP HE3 A 13 TRP H 1.0 . 4.50 363 305 A 7 TRP HD1 A 8 ALA H 1.0 . 5.00 364 306 A 21 TRP HZ3 A 22 TYR HD% 1.0 . 4.00 365 307 A 11 TRP HD1 A 11 TRP H 1.0 . 4.00 366 308 A 13 TRP HE3 A 14 PHE HBy 1.0 . 4.75 367 309 A 8 ALA HB% A 11 TRP HD1 1.0 . 4.00 368 310 A 10 LEU HBy A 7 TRP HE3 1.0 . 4.00 369 311 A 7 TRP HE3 A 6 LYS HDx 1.0 . 4.59 370 311 A 6 LYS HDy A 7 TRP HE3 1.0 . 4.59 371 312 A 10 LEU HBx A 7 TRP HE3 1.0 . 4.74 372 313 A 7 TRP HD1 A 6 LYS HDx 1.0 . 4.25 373 313 A 6 LYS HDy A 7 TRP HD1 1.0 . 4.25 374 314 A 17 THR HG2% A 13 TRP HD1 1.0 . 5.00 375 315 A 25 LEU HDy% A 21 TRP HE3 1.0 . 4.00 376 316 A 24 LYS H A 24 LYS HDx 1.0 . 4.25 377 316 A 24 LYS H A 24 LYS HDy 1.0 . 4.25 378 317 A 27 ILE HG1y A 26 PHE H 1.0 . 4.00 379 318 A 27 ILE HG1y A 28 MET H 1.0 . 4.25 380 319 A 17 THR HG2% A 18 ASN H 1.0 . 4.00 381 320 A 22 TYR HD% A 25 LEU HBx 1.0 . 4.00 382 320 A 25 LEU HBy A 22 TYR HD% 1.0 . 4.00 383 321 A 26 PHE HBy A 26 PHE H 1.0 . 4.00 384 322 A 27 ILE HA A 30 VAL H 1.0 . 4.25 385 323 A 11 TRP H A 11 TRP HBy 1.0 . 4.00 386 324 A 11 TRP HE3 A 11 TRP HBy 1.0 . 4.00 387 325 A 28 MET HBx A 29 ILE H 1.0 . 4.00 388 326 A 9 SER H A 9 SER HBx 1.0 . 4.00 389 327 A 2 LYS HEy A 2 LYS HGx 1.0 . 4.00 390 327 A 2 LYS HEx A 2 LYS HGx 1.0 . 4.00 391 327 A 2 LYS HGy A 2 LYS HEx 1.0 . 4.00 392 327 A 2 LYS HGy A 2 LYS HEy 1.0 . 4.00 393 328 A 23 ILE HG2% A 24 LYS HA 1.0 . 4.00 394 329 A 17 THR HA A 20 LEU HDy% 1.0 . 4.50 395 330 A 29 ILE HD1% A 25 LEU HG 1.0 . 4.25 396 331 A 29 ILE HG1y A 28 MET HBx 1.0 . 4.00 397 332 A 16 ILE HG2% A 16 ILE H 1.0 . 4.42 398 333 A 16 ILE HD1% A 16 ILE H 1.0 . 4.64 399 334 A 29 ILE HG2% A 29 ILE H 1.0 . 4.00 400 335 A 29 ILE HD1% A 29 ILE H 1.0 . 4.00 401 336 A 27 ILE HG2% A 28 MET H 1.0 . 4.61 402 337 A 29 ILE HB A 29 ILE H 1.0 . 4.00 403 338 A 16 ILE HB A 16 ILE H 1.0 . 4.00 404 339 A 33 LYS H A 32 LYS HBx 1.0 . 4.00 405 339 A 32 LYS HBy A 33 LYS H 1.0 . 4.00 406 340 A 33 LYS H A 33 LYS HBy 1.0 . 4.00 407 341 A 33 LYS H A 33 LYS HBx 1.0 . 4.00 408 342 A 25 LEU H A 24 LYS HBx 1.0 . 4.00 409 342 A 24 LYS HBy A 25 LEU H 1.0 . 4.00 410 343 A 27 ILE H A 24 LYS HBx 1.0 . 5.00 411 343 A 24 LYS HBy A 27 ILE H 1.0 . 5.00 412 344 A 6 LYS H A 6 LYS HGx 1.0 . 4.25 413 344 A 6 LYS HGy A 6 LYS H 1.0 . 4.25 414 345 A 27 ILE HA A 26 PHE HD% 1.0 . 4.50 415 346 A 10 LEU HDy% A 7 TRP HE3 1.0 . 4.25 416 347 A 25 LEU HDx% A 22 TYR HD% 1.0 . 4.75 417 348 A 25 LEU HDx% A 21 TRP HH2 1.0 . 4.00 418 349 A 29 ILE HG2% A 26 PHE HD% 1.0 . 4.00 419 350 A 10 LEU HDy% A 13 TRP HZ3 1.0 . 4.00 420 351 A 10 LEU HDx% A 13 TRP HZ3 1.0 . 4.00 421 352 A 23 ILE HD1% A 19 TRP HZ3 1.0 . 4.00 422 353 A 29 ILE HG2% A 30 VAL HA 1.0 . 4.00 423 354 A 34 LYS HDy A 30 VAL HGx% 1.0 . 4.25 424 354 A 30 VAL HGx% A 34 LYS HDx 1.0 . 4.25 425 355 A 29 ILE HD1% A 29 ILE HA 1.0 . 4.00 426 356 A 23 ILE HG2% A 26 PHE HBy 1.0 . 4.00 427 357 A 23 ILE HD1% A 26 PHE HBy 1.0 . 4.75 428 358 A 7 TRP HE1 A 6 LYS HDx 1.0 . 4.25 429 358 A 6 LYS HDy A 7 TRP HE1 1.0 . 4.25 430 359 A 8 ALA HB% A 11 TRP HE1 1.0 . 4.00 431 360 A 7 TRP HE1 A 6 LYS HEx 1.0 . 4.50 432 360 A 6 LYS HEy A 7 TRP HE1 1.0 . 4.50 433 361 A 25 LEU HDx% A 28 MET HGy 1.0 . 4.00 434 362 A 28 MET HGy A 27 ILE HG2% 1.0 . 4.75 435 363 A 6 LYS HEy A 6 LYS HGx 1.0 . 4.00 436 363 A 6 LYS HEx A 6 LYS HGx 1.0 . 4.00 437 363 A 6 LYS HGy A 6 LYS HEx 1.0 . 4.00 438 363 A 6 LYS HGy A 6 LYS HEy 1.0 . 4.00 439 364 A 27 ILE HG2% A 28 MET HGx 1.0 . 4.00 440 365 A 20 LEU HDx% A 24 LYS HEy 1.0 . 5.33 441 366 A 20 LEU HDy% A 24 LYS HEy 1.0 . 5.33 442 367 A 25 LEU HDx% A 22 TYR HE% 1.0 . 4.75 443 368 A 26 PHE HBy A 27 ILE H 1.0 . 4.00 444 369 A 23 ILE HA A 26 PHE HD% 1.0 . 4.00 445 370 A 7 TRP HZ2 A 6 LYS HEx 1.0 . 4.50 446 370 A 6 LYS HEy A 7 TRP HZ2 1.0 . 4.50 447 371 A 18 ASN HD2y A 18 ASN HBx 1.0 . 4.00 448 371 A 18 ASN HBy A 18 ASN HD2y 1.0 . 4.00 449 372 A 25 LEU HDx% A 21 TRP HZ3 1.0 . 4.25 450 373 A 23 ILE HG2% A 26 PHE HD% 1.0 . 4.00 451 374 A 23 ILE HD1% A 26 PHE HD% 1.0 . 5.00 452 375 A 25 LEU HG A 21 TRP HH2 1.0 . 4.00 453 376 A 25 LEU HDy% A 21 TRP HH2 1.0 . 4.00 454 377 A 25 LEU HDx% A 28 MET HBy 1.0 . 4.75 455 378 A 25 LEU HDx% A 28 MET HBx 1.0 . 4.00 456 379 A 24 LYS HA A 24 LYS HDx 1.0 . 4.44 457 379 A 24 LYS HA A 24 LYS HDy 1.0 . 4.44 458 380 A 31 GLY HAx A 34 LYS HDx 1.0 . 4.94 459 380 A 31 GLY HAy A 34 LYS HDx 1.0 . 4.94 460 380 A 34 LYS HDy A 31 GLY HAx 1.0 . 4.94 461 380 A 34 LYS HDy A 31 GLY HAy 1.0 . 4.94 462 381 A 31 GLY HAy A 34 LYS HGx 1.0 . 4.25 463 381 A 31 GLY HAx A 34 LYS HGx 1.0 . 4.25 464 381 A 34 LYS HGy A 31 GLY HAx 1.0 . 4.25 465 381 A 31 GLY HAy A 34 LYS HGy 1.0 . 4.25 466 382 A 13 TRP HE3 A 14 PHE HA 1.0 . 4.25 467 383 A 27 ILE HB A 28 MET H 1.0 . 4.00 468 384 A 23 ILE HD1% A 19 TRP HH2 1.0 . 4.25 469 385 A 14 PHE H A 13 TRP HBx 1.0 . 5.50 470 385 A 13 TRP HBy A 14 PHE H 1.0 . 5.50 471 386 A 23 ILE HG2% A 27 ILE H 1.0 . 5.50 472 387 A 29 ILE HA A 28 MET H 1.0 . 5.50 473 388 A 1 LYS HEy A 1 LYS HBx 1.0 . 5.50 474 388 A 1 LYS HBx A 1 LYS HEx 1.0 . 5.50 475 389 A 1 LYS HEy A 1 LYS HBy 1.0 . 5.50 476 389 A 1 LYS HBy A 1 LYS HEx 1.0 . 5.50 477 390 A 32 LYS HBy A 32 LYS HEx 1.0 . 5.50 478 390 A 32 LYS HBx A 32 LYS HEx 1.0 . 5.50 479 390 A 32 LYS HEy A 32 LYS HBx 1.0 . 5.50 480 390 A 32 LYS HBy A 32 LYS HEy 1.0 . 5.50 481 391 A 1 LYS HA A 1 LYS HBy 1.0 . 2.31 482 391 A 1 LYS HA A 1 LYS HBx 1.0 . 2.31 483 392 A 3 LYS H A 2 LYS HBy 1.0 . 3.88 484 392 A 3 LYS H A 2 LYS HBx 1.0 . 3.88 485 393 A 3 LYS H A 3 LYS HGy 1.0 . 3.79 486 393 A 3 LYS H A 3 LYS HGx 1.0 . 3.79 487 394 A 4 LYS H A 3 LYS HBx 1.0 . 4.39 488 394 A 4 LYS H A 3 LYS HBy 1.0 . 4.39 489 395 A 4 LYS H A 3 LYS HGy 1.0 . 3.93 490 395 A 4 LYS H A 3 LYS HGx 1.0 . 3.93 491 396 A 4 LYS H A 4 LYS HBx 1.0 . 3.65 492 396 A 4 LYS H A 4 LYS HBy 1.0 . 3.65 493 397 A 6 LYS HA A 6 LYS HBy 1.0 . 2.42 494 397 A 6 LYS HA A 6 LYS HBx 1.0 . 2.42 495 398 A 6 LYS HBx A 6 LYS HGx 1.0 . 2.20 496 398 A 6 LYS HBy A 6 LYS HGx 1.0 . 2.20 497 398 A 6 LYS HGy A 6 LYS HBy 1.0 . 2.20 498 398 A 6 LYS HGy A 6 LYS HBx 1.0 . 2.20 499 399 A 6 LYS HBx A 6 LYS HEx 1.0 . 2.53 500 399 A 6 LYS HEy A 6 LYS HBy 1.0 . 2.53 501 399 A 6 LYS HEy A 6 LYS HBx 1.0 . 2.53 502 399 A 6 LYS HBy A 6 LYS HEx 1.0 . 2.53 503 400 A 7 TRP H A 6 LYS HBy 1.0 . 4.17 504 400 A 7 TRP H A 6 LYS HBx 1.0 . 4.17 505 401 A 8 ALA HB% A 12 ASN HD2y 1.0 . 4.87 506 401 A 8 ALA HB% A 12 ASN HD2x 1.0 . 4.87 507 402 A 9 SER HA A 12 ASN HD2y 1.0 . 4.16 508 402 A 9 SER HA A 12 ASN HD2x 1.0 . 4.16 509 403 A 11 TRP HBx A 12 ASN HD2y 1.0 . 3.93 510 403 A 11 TRP HBx A 12 ASN HD2x 1.0 . 3.93 511 404 A 11 TRP HD1 A 12 ASN HD2y 1.0 . 4.16 512 404 A 11 TRP HD1 A 12 ASN HD2x 1.0 . 4.16 513 405 A 16 ILE HA A 16 ILE HG1x 1.0 . 3.33 514 405 A 16 ILE HA A 16 ILE HG1y 1.0 . 3.33 515 406 A 16 ILE HB A 16 ILE HG1x 1.0 . 2.52 516 406 A 16 ILE HB A 16 ILE HG1y 1.0 . 2.52 517 407 A 16 ILE HG2% A 16 ILE HG1x 1.0 . 2.65 518 407 A 16 ILE HG2% A 16 ILE HG1y 1.0 . 2.65 519 408 A 17 THR HA A 20 LEU HDy% 1.0 . 3.74 520 408 A 17 THR HA A 20 LEU HDx% 1.0 . 3.74 521 409 A 19 TRP HE3 A 19 TRP HBx 1.0 . 3.65 522 409 A 19 TRP HE3 A 19 TRP HBy 1.0 . 3.65 523 410 A 19 TRP HZ3 A 20 LEU HDy% 1.0 . 5.44 524 410 A 19 TRP HZ3 A 20 LEU HDx% 1.0 . 5.44 525 411 A 19 TRP HH2 A 20 LEU HDy% 1.0 . 5.44 526 411 A 19 TRP HH2 A 20 LEU HDx% 1.0 . 5.44 527 412 A 20 LEU H A 20 LEU HDy% 1.0 . 4.26 528 412 A 20 LEU HDx% A 20 LEU H 1.0 . 4.26 529 413 A 20 LEU HA A 20 LEU HDy% 1.0 . 3.98 530 413 A 20 LEU HA A 20 LEU HDx% 1.0 . 3.98 531 414 A 20 LEU HBx A 20 LEU HDy% 1.0 . 2.13 532 414 A 20 LEU HBy A 20 LEU HDy% 1.0 . 2.13 533 414 A 20 LEU HDx% A 20 LEU HBy 1.0 . 2.13 534 414 A 20 LEU HDx% A 20 LEU HBx 1.0 . 2.13 535 415 A 20 LEU HDx% A 20 LEU HBy 1.0 . 4.16 536 416 A 20 LEU HBy A 20 LEU HDy% 1.0 . 4.16 537 417 A 23 ILE HB A 20 LEU HDy% 1.0 . 3.98 538 417 A 23 ILE HB A 20 LEU HDx% 1.0 . 3.98 539 418 A 20 LEU HDy% A 24 LYS HEy 1.0 . 3.75 540 418 A 20 LEU HDx% A 24 LYS HEy 1.0 . 3.75 541 418 A 24 LYS HEx A 20 LEU HDy% 1.0 . 3.75 542 418 A 20 LEU HDx% A 24 LYS HEx 1.0 . 3.75 543 419 A 21 TRP HE3 A 21 TRP HBx 1.0 . 3.65 544 419 A 21 TRP HE3 A 21 TRP HBy 1.0 . 3.65 545 420 A 23 ILE H A 22 TYR HBy 1.0 . 3.93 546 420 A 23 ILE H A 22 TYR HBx 1.0 . 3.93 547 421 A 24 LYS H A 24 LYS HGy 1.0 . 3.89 548 421 A 24 LYS H A 24 LYS HGx 1.0 . 3.89 549 422 A 24 LYS HA A 24 LYS HGy 1.0 . 2.64 550 422 A 24 LYS HA A 24 LYS HGx 1.0 . 2.64 551 423 A 24 LYS HBy A 24 LYS HEy 1.0 . 2.68 552 423 A 24 LYS HBx A 24 LYS HEy 1.0 . 2.68 553 423 A 24 LYS HEx A 24 LYS HBx 1.0 . 2.68 554 423 A 24 LYS HBy A 24 LYS HEx 1.0 . 2.68 555 424 A 24 LYS HEy A 24 LYS HGy 1.0 . 2.49 556 424 A 24 LYS HEx A 24 LYS HGy 1.0 . 2.49 557 424 A 24 LYS HGx A 24 LYS HEy 1.0 . 2.49 558 424 A 24 LYS HEx A 24 LYS HGx 1.0 . 2.49 559 425 A 27 ILE HD1% A 24 LYS HGy 1.0 . 4.64 560 425 A 27 ILE HD1% A 24 LYS HGx 1.0 . 4.64 561 426 A 24 LYS HDx A 24 LYS HEy 1.0 . 2.31 562 426 A 24 LYS HDy A 24 LYS HEy 1.0 . 2.31 563 426 A 24 LYS HEx A 24 LYS HDx 1.0 . 2.31 564 426 A 24 LYS HDy A 24 LYS HEx 1.0 . 2.31 565 427 A 27 ILE HD1% A 24 LYS HEy 1.0 . 5.15 566 427 A 27 ILE HD1% A 24 LYS HEx 1.0 . 5.15 567 428 A 26 PHE HA A 30 VAL HGy% 1.0 . 4.47 568 428 A 26 PHE HA A 30 VAL HGx% 1.0 . 4.47 569 429 A 26 PHE HD% A 30 VAL HGy% 1.0 . 3.93 570 429 A 26 PHE HD% A 30 VAL HGx% 1.0 . 3.93 571 430 A 27 ILE HA A 30 VAL HGy% 1.0 . 3.75 572 430 A 27 ILE HA A 30 VAL HGx% 1.0 . 3.75 573 431 A 27 ILE HD1% A 30 VAL HGy% 1.0 . 5.44 574 431 A 27 ILE HD1% A 30 VAL HGx% 1.0 . 5.44 575 432 A 29 ILE HA A 30 VAL HGy% 1.0 . 4.96 576 432 A 29 ILE HA A 30 VAL HGx% 1.0 . 4.96 577 433 A 29 ILE HA A 32 LYS HGx 1.0 . 2.38 578 433 A 29 ILE HA A 32 LYS HGy 1.0 . 2.38 579 434 A 29 ILE HG2% A 30 VAL HGy% 1.0 . 4.96 580 434 A 29 ILE HG2% A 30 VAL HGx% 1.0 . 4.96 581 435 A 29 ILE HG2% A 32 LYS HGx 1.0 . 3.93 582 435 A 29 ILE HG2% A 32 LYS HGy 1.0 . 3.93 583 436 A 30 VAL H A 30 VAL HGy% 1.0 . 3.98 584 436 A 30 VAL H A 30 VAL HGx% 1.0 . 3.98 585 437 A 30 VAL HGx% A 31 GLY HAx 1.0 . 3.98 586 437 A 30 VAL HGy% A 31 GLY HAx 1.0 . 3.98 587 437 A 31 GLY HAy A 30 VAL HGy% 1.0 . 3.98 588 437 A 31 GLY HAy A 30 VAL HGx% 1.0 . 3.98 589 438 A 30 VAL HGy% A 34 LYS HDx 1.0 . 2.94 590 438 A 30 VAL HGx% A 34 LYS HDx 1.0 . 2.94 591 438 A 34 LYS HDy A 30 VAL HGy% 1.0 . 2.94 592 438 A 34 LYS HDy A 30 VAL HGx% 1.0 . 2.94 593 439 A 31 GLY HAy A 34 LYS HBx 1.0 . 4.62 594 439 A 34 LYS HBy A 31 GLY HAx 1.0 . 4.62 595 439 A 31 GLY HAy A 34 LYS HBy 1.0 . 4.62 596 439 A 31 GLY HAx A 34 LYS HBx 1.0 . 4.62 597 440 A 32 LYS H A 32 LYS HGx 1.0 . 3.91 598 440 A 32 LYS H A 32 LYS HGy 1.0 . 3.91 599 441 A 32 LYS HA A 32 LYS HGx 1.0 . 2.66 600 441 A 32 LYS HA A 32 LYS HGy 1.0 . 2.66 601 442 A 32 LYS HBx A 32 LYS HGx 1.0 . 2.42 602 442 A 32 LYS HGy A 32 LYS HBx 1.0 . 2.42 603 442 A 32 LYS HBy A 32 LYS HGy 1.0 . 2.42 604 442 A 32 LYS HBy A 32 LYS HGx 1.0 . 2.42 605 443 A 32 LYS HEx A 32 LYS HGx 1.0 . 2.89 606 443 A 32 LYS HEy A 32 LYS HGx 1.0 . 2.89 607 443 A 32 LYS HGy A 32 LYS HEx 1.0 . 2.89 608 443 A 32 LYS HEy A 32 LYS HGy 1.0 . 2.89 609 444 A 34 LYS H A 34 LYS HBx 1.0 . 3.69 610 444 A 34 LYS H A 34 LYS HBy 1.0 . 3.69 611 445 A 35 LYS H A 34 LYS HBx 1.0 . 4.32 612 445 A 35 LYS H A 34 LYS HBy 1.0 . 4.32 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 save_