data_nef_c34314_6hne 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6HNE stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 14 LYS C 1 15 NH2 N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 LEU middle . . 3 A 3 PHE middle . . 4 A 4 ASP middle . . 5 A 5 ILE middle . . 6 A 6 VAL middle . . 7 A 7 LYS middle . . 8 A 8 LYS middle . . 9 A 9 VAL middle . . 10 A 10 LEU middle . . 11 A 11 LYS middle . . 12 A 12 LEU middle . . 13 A 13 LEU middle . . 14 A 14 LYS middle -OXT . 15 A 15 NH2 end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 GLY HAx H 1 3.881 0.020 A 1 GLY HAy H 1 4.045 0.020 A 1 GLY CA C 13 43.386 0.400 A 2 LEU H H 1 8.731 0.020 A 2 LEU HA H 1 4.071 0.020 A 2 LEU HBx H 1 1.507 0.020 A 2 LEU HBy H 1 1.507 0.020 A 2 LEU HDx% H 1 0.789 0.020 A 2 LEU HDy% H 1 0.865 0.020 A 2 LEU HG H 1 1.456 0.020 A 2 LEU CA C 13 58.415 0.400 A 2 LEU CB C 13 42.252 0.400 A 2 LEU CD1 C 13 24.189 0.400 A 2 LEU CD2 C 13 22.895 0.400 A 2 LEU CG C 13 26.874 0.400 A 3 PHE H H 1 8.494 0.020 A 3 PHE HA H 1 4.340 0.020 A 3 PHE HBx H 1 3.125 0.020 A 3 PHE HBy H 1 3.125 0.020 A 3 PHE HD1 H 1 7.220 0.020 A 3 PHE HD2 H 1 7.220 0.020 A 3 PHE HE1 H 1 7.311 0.020 A 3 PHE HE2 H 1 7.311 0.020 A 3 PHE HZ H 1 7.252 0.020 A 3 PHE CA C 13 60.314 0.400 A 3 PHE CB C 13 38.075 0.400 A 3 PHE CD1 C 13 131.063 0.400 A 3 PHE CE1 C 13 131.213 0.400 A 3 PHE CZ C 13 129.665 0.400 A 4 ASP H H 1 7.552 0.020 A 4 ASP HA H 1 4.300 0.020 A 4 ASP HBx H 1 2.709 0.020 A 4 ASP HBy H 1 2.833 0.020 A 4 ASP CA C 13 57.567 0.400 A 4 ASP CB C 13 41.059 0.400 A 5 ILE H H 1 7.499 0.020 A 5 ILE HA H 1 3.782 0.020 A 5 ILE HB H 1 2.124 0.020 A 5 ILE HD1% H 1 0.847 0.020 A 5 ILE HG1x H 1 1.185 0.020 A 5 ILE HG1y H 1 1.649 0.020 A 5 ILE HG2% H 1 0.897 0.020 A 5 ILE CA C 13 64.384 0.400 A 5 ILE CB C 13 37.888 0.400 A 5 ILE CD1 C 13 12.018 0.400 A 5 ILE CG1 C 13 28.274 0.400 A 5 ILE CG2 C 13 16.623 0.400 A 6 VAL H H 1 7.972 0.020 A 6 VAL HA H 1 3.448 0.020 A 6 VAL HB H 1 2.098 0.020 A 6 VAL HGx% H 1 1.011 0.020 A 6 VAL HGy% H 1 0.917 0.020 A 6 VAL CA C 13 67.152 0.400 A 6 VAL CB C 13 31.789 0.400 A 6 VAL CG1 C 13 22.152 0.400 A 6 VAL CG2 C 13 20.663 0.400 A 7 LYS H H 1 7.921 0.020 A 7 LYS HA H 1 3.817 0.020 A 7 LYS HBx H 1 1.746 0.020 A 7 LYS HBy H 1 1.789 0.020 A 7 LYS HDx H 1 1.624 0.020 A 7 LYS HDy H 1 1.624 0.020 A 7 LYS HEx H 1 2.812 0.020 A 7 LYS HEy H 1 2.812 0.020 A 7 LYS HGx H 1 1.315 0.020 A 7 LYS HGy H 1 1.502 0.020 A 7 LYS CA C 13 60.405 0.400 A 7 LYS CB C 13 32.490 0.400 A 7 LYS CD C 13 29.796 0.400 A 7 LYS CE C 13 41.976 0.400 A 7 LYS CG C 13 25.590 0.400 A 8 LYS H H 1 7.403 0.020 A 8 LYS HA H 1 5.707 0.020 A 8 LYS HBx H 1 2.022 0.020 A 8 LYS HBy H 1 2.022 0.020 A 8 LYS HDx H 1 1.668 0.020 A 8 LYS HDy H 1 1.668 0.020 A 8 LYS HEx H 1 2.955 0.020 A 8 LYS HEy H 1 2.955 0.020 A 8 LYS HGx H 1 1.416 0.020 A 8 LYS HGy H 1 1.634 0.020 A 8 LYS CA C 13 59.729 0.400 A 8 LYS CB C 13 32.474 0.400 A 8 LYS CD C 13 29.403 0.400 A 8 LYS CE C 13 42.107 0.400 A 8 LYS CG C 13 25.371 0.400 A 9 VAL H H 1 8.280 0.020 A 9 VAL HA H 1 3.590 0.020 A 9 VAL HB H 1 2.208 0.020 A 9 VAL HGx% H 1 1.007 0.020 A 9 VAL HGy% H 1 0.909 0.020 A 9 VAL CA C 13 66.955 0.400 A 9 VAL CB C 13 31.695 0.400 A 9 VAL CG1 C 13 22.128 0.400 A 9 VAL CG2 C 13 20.686 0.400 A 10 LEU H H 1 8.593 0.020 A 10 LEU HA H 1 3.994 0.020 A 10 LEU HBx H 1 1.394 0.020 A 10 LEU HBy H 1 1.864 0.020 A 10 LEU HDx% H 1 0.812 0.020 A 10 LEU HDy% H 1 0.827 0.020 A 10 LEU HG H 1 1.870 0.020 A 10 LEU CA C 13 58.386 0.400 A 10 LEU CB C 13 41.678 0.400 A 10 LEU CD1 C 13 22.141 0.400 A 10 LEU CD2 C 13 24.914 0.400 A 10 LEU CG C 13 26.689 0.400 A 11 LYS H H 1 7.693 0.020 A 11 LYS HA H 1 3.964 0.020 A 11 LYS HBx H 1 1.977 0.020 A 11 LYS HBy H 1 1.977 0.020 A 11 LYS HDx H 1 1.699 0.020 A 11 LYS HDy H 1 1.699 0.020 A 11 LYS HEx H 1 2.968 0.020 A 11 LYS HEy H 1 2.968 0.020 A 11 LYS HGx H 1 1.437 0.020 A 11 LYS HGy H 1 1.587 0.020 A 11 LYS CA C 13 59.363 0.400 A 11 LYS CB C 13 32.359 0.400 A 11 LYS CD C 13 29.338 0.400 A 11 LYS CE C 13 42.154 0.400 A 11 LYS CG C 13 25.246 0.400 A 12 LEU H H 1 7.884 0.020 A 12 LEU HA H 1 4.131 0.020 A 12 LEU HBx H 1 1.694 0.020 A 12 LEU HBy H 1 1.946 0.020 A 12 LEU HDx% H 1 0.876 0.020 A 12 LEU HDy% H 1 0.895 0.020 A 12 LEU HG H 1 1.770 0.020 A 12 LEU CA C 13 57.608 0.400 A 12 LEU CB C 13 42.026 0.400 A 12 LEU CD1 C 13 23.195 0.400 A 12 LEU CD2 C 13 24.378 0.400 A 12 LEU CG C 13 26.802 0.400 A 13 LEU H H 1 8.350 0.020 A 13 LEU HA H 1 4.146 0.020 A 13 LEU HBx H 1 1.494 0.020 A 13 LEU HBy H 1 1.851 0.020 A 13 LEU HDx% H 1 0.822 0.020 A 13 LEU HDy% H 1 0.830 0.020 A 13 LEU HG H 1 1.885 0.020 A 13 LEU CA C 13 57.012 0.400 A 13 LEU CB C 13 42.443 0.400 A 13 LEU CD1 C 13 21.983 0.400 A 13 LEU CD2 C 13 24.999 0.400 A 13 LEU CG C 13 26.586 0.400 A 14 LYS H H 1 8.034 0.020 A 14 LYS HA H 1 4.212 0.020 A 14 LYS HBx H 1 1.914 0.020 A 14 LYS HBy H 1 1.914 0.020 A 14 LYS HDx H 1 1.678 0.020 A 14 LYS HDy H 1 1.678 0.020 A 14 LYS HEx H 1 2.960 0.020 A 14 LYS HEy H 1 2.960 0.020 A 14 LYS HGx H 1 1.482 0.020 A 14 LYS HGy H 1 1.548 0.020 A 14 LYS CA C 13 56.459 0.400 A 14 LYS CB C 13 32.623 0.400 A 14 LYS CD C 13 29.299 0.400 A 14 LYS CE C 13 42.178 0.400 A 14 LYS CG C 13 24.833 0.400 A 15 NH2 HNy H 1 7.181 0.020 A 15 NH2 HNx H 1 7.019 0.020 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _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 4 ASP H A 1 GLY HAx 1.0 . 4.39 2 1 A 1 GLY HAy A 4 ASP H 1.0 . 4.39 3 2 A 2 LEU H A 2 LEU HDx% 1.0 . 5.39 4 3 A 2 LEU H A 2 LEU HDy% 1.0 . 5.11 5 4 A 2 LEU H A 3 PHE H 1.0 . 3.84 6 5 A 2 LEU H A 3 PHE HBx 1.0 . 5.50 7 5 A 2 LEU H A 3 PHE HBy 1.0 . 5.50 8 6 A 4 ASP H A 2 LEU H 1.0 . 5.50 9 7 A 2 LEU H A 5 ILE H 1.0 . 5.50 10 8 A 2 LEU HDy% A 2 LEU HA 1.0 . 3.23 11 9 A 4 ASP H A 2 LEU HA 1.0 . 4.37 12 10 A 5 ILE H A 2 LEU HA 1.0 . 4.19 13 11 A 2 LEU HA A 5 ILE HB 1.0 . 3.80 14 12 A 2 LEU HA A 5 ILE HG1x 1.0 . 5.43 15 13 A 2 LEU HA A 6 VAL H 1.0 . 4.98 16 14 A 2 LEU HA A 6 VAL HGy% 1.0 . 5.30 17 15 A 5 ILE HB A 2 LEU HG 1.0 . 5.05 18 16 A 2 LEU HBx A 3 PHE HBx 1.0 . 4.42 19 16 A 2 LEU HBy A 3 PHE HBx 1.0 . 4.42 20 16 A 3 PHE HBy A 2 LEU HBx 1.0 . 4.42 21 16 A 3 PHE HBy A 2 LEU HBy 1.0 . 4.42 22 17 A 4 ASP H A 2 LEU HBx 1.0 . 5.19 23 17 A 4 ASP H A 2 LEU HBy 1.0 . 5.19 24 18 A 6 VAL H A 2 LEU HBx 1.0 . 5.08 25 18 A 6 VAL H A 2 LEU HBy 1.0 . 5.08 26 19 A 2 LEU HDx% A 3 PHE H 1.0 . 5.48 27 20 A 2 LEU HDy% A 3 PHE H 1.0 . 5.50 28 21 A 4 ASP H A 2 LEU HDy% 1.0 . 5.50 29 22 A 2 LEU HDy% A 5 ILE H 1.0 . 4.44 30 23 A 2 LEU HDy% A 6 VAL H 1.0 . 4.99 31 24 A 3 PHE H A 3 PHE HBx 1.0 . 3.08 32 24 A 3 PHE H A 3 PHE HBy 1.0 . 3.08 33 25 A 3 PHE H A 3 PHE HD% 1.0 . 4.40 34 26 A 4 ASP H A 3 PHE H 1.0 . 3.41 35 27 A 3 PHE H A 4 ASP HBy 1.0 . 5.29 36 27 A 3 PHE H A 4 ASP HBx 1.0 . 5.29 37 28 A 3 PHE H A 5 ILE H 1.0 . 4.68 38 29 A 3 PHE H A 6 VAL H 1.0 . 5.50 39 30 A 3 PHE H A 6 VAL HB 1.0 . 5.42 40 31 A 3 PHE H A 6 VAL HGy% 1.0 . 5.50 41 32 A 3 PHE HD% A 3 PHE HA 1.0 . 3.87 42 33 A 3 PHE HA A 3 PHE HE% 1.0 . 4.99 43 34 A 5 ILE H A 3 PHE HA 1.0 . 5.27 44 35 A 6 VAL H A 3 PHE HA 1.0 . 3.81 45 36 A 6 VAL HB A 3 PHE HA 1.0 . 3.19 46 37 A 3 PHE HA A 6 VAL HGx% 1.0 . 4.67 47 38 A 6 VAL HGy% A 3 PHE HA 1.0 . 3.73 48 39 A 3 PHE HA A 7 LYS H 1.0 . 4.56 49 40 A 4 ASP H A 3 PHE HBx 1.0 . 3.84 50 40 A 4 ASP H A 3 PHE HBy 1.0 . 3.84 51 41 A 5 ILE H A 3 PHE HBx 1.0 . 5.43 52 41 A 3 PHE HBy A 5 ILE H 1.0 . 5.43 53 42 A 6 VAL H A 3 PHE HBx 1.0 . 5.50 54 42 A 3 PHE HBy A 6 VAL H 1.0 . 5.50 55 43 A 6 VAL HB A 3 PHE HBx 1.0 . 4.64 56 43 A 3 PHE HBy A 6 VAL HB 1.0 . 4.64 57 44 A 6 VAL HGy% A 3 PHE HBx 1.0 . 4.88 58 44 A 3 PHE HBy A 6 VAL HGy% 1.0 . 4.88 59 45 A 7 LYS H A 3 PHE HBx 1.0 . 5.50 60 45 A 3 PHE HBy A 7 LYS H 1.0 . 5.50 61 46 A 3 PHE HD% A 6 VAL HB 1.0 . 4.54 62 47 A 3 PHE HD% A 6 VAL HGx% 1.0 . 4.71 63 48 A 6 VAL HGy% A 3 PHE HD% 1.0 . 4.78 64 49 A 6 VAL HGy% A 3 PHE HE% 1.0 . 5.07 65 50 A 4 ASP H A 4 ASP HBx 1.0 . 3.82 66 51 A 4 ASP H A 4 ASP HBy 1.0 . 3.82 67 52 A 4 ASP H A 4 ASP HBy 1.0 . 3.09 68 52 A 4 ASP H A 4 ASP HBx 1.0 . 3.09 69 53 A 4 ASP H A 5 ILE H 1.0 . 2.90 70 54 A 4 ASP H A 5 ILE HA 1.0 . 5.50 71 55 A 4 ASP H A 5 ILE HB 1.0 . 5.22 72 56 A 4 ASP H A 5 ILE HG1y 1.0 . 5.07 73 57 A 4 ASP H A 5 ILE HD1% 1.0 . 5.50 74 58 A 4 ASP H A 6 VAL H 1.0 . 4.52 75 59 A 4 ASP H A 6 VAL HGy% 1.0 . 5.50 76 60 A 4 ASP H A 7 LYS H 1.0 . 4.93 77 61 A 6 VAL H A 4 ASP HA 1.0 . 5.37 78 62 A 7 LYS H A 4 ASP HA 1.0 . 4.12 79 63 A 4 ASP HA A 7 LYS HBy 1.0 . 4.18 80 64 A 4 ASP HA A 7 LYS HGy 1.0 . 5.23 81 65 A 4 ASP HA A 8 LYS H 1.0 . 4.63 82 66 A 5 ILE H A 4 ASP HBx 1.0 . 4.05 83 67 A 5 ILE H A 4 ASP HBy 1.0 . 3.37 84 67 A 5 ILE H A 4 ASP HBx 1.0 . 3.37 85 68 A 6 VAL H A 4 ASP HBy 1.0 . 5.34 86 68 A 6 VAL H A 4 ASP HBx 1.0 . 5.34 87 69 A 5 ILE H A 5 ILE HB 1.0 . 3.06 88 70 A 5 ILE H A 5 ILE HG1x 1.0 . 3.88 89 71 A 5 ILE H A 5 ILE HG1y 1.0 . 3.41 90 72 A 5 ILE H A 5 ILE HD1% 1.0 . 4.50 91 73 A 5 ILE H A 5 ILE HG2% 1.0 . 3.95 92 74 A 5 ILE H A 6 VAL H 1.0 . 3.21 93 75 A 5 ILE H A 6 VAL HA 1.0 . 5.34 94 76 A 5 ILE H A 6 VAL HGy% 1.0 . 4.72 95 77 A 5 ILE H A 7 LYS H 1.0 . 4.40 96 78 A 5 ILE HG1x A 5 ILE HA 1.0 . 3.55 97 79 A 5 ILE HA A 5 ILE HG1y 1.0 . 3.58 98 80 A 5 ILE HA A 5 ILE HD1% 1.0 . 4.08 99 81 A 5 ILE HA A 5 ILE HG2% 1.0 . 3.31 100 82 A 7 LYS H A 5 ILE HA 1.0 . 5.13 101 83 A 5 ILE HA A 8 LYS H 1.0 . 3.89 102 84 A 5 ILE HA A 8 LYS HBx 1.0 . 3.44 103 84 A 5 ILE HA A 8 LYS HBy 1.0 . 3.44 104 85 A 5 ILE HA A 9 VAL H 1.0 . 4.59 105 86 A 5 ILE HA A 9 VAL HGy% 1.0 . 4.61 106 87 A 5 ILE HB A 5 ILE HD1% 1.0 . 3.42 107 88 A 5 ILE HB A 6 VAL H 1.0 . 3.01 108 89 A 6 VAL H A 5 ILE HG1y 1.0 . 5.14 109 90 A 5 ILE HG1x A 5 ILE HG2% 1.0 . 4.24 110 91 A 6 VAL H A 5 ILE HG2% 1.0 . 3.48 111 92 A 8 LYS H A 5 ILE HG2% 1.0 . 4.85 112 93 A 6 VAL H A 6 VAL HB 1.0 . 3.31 113 94 A 6 VAL H A 6 VAL HGx% 1.0 . 4.35 114 95 A 6 VAL H A 6 VAL HGy% 1.0 . 3.14 115 96 A 6 VAL H A 7 LYS HBx 1.0 . 4.87 116 97 A 6 VAL H A 8 LYS H 1.0 . 4.54 117 98 A 6 VAL HA A 10 LEU H 1.0 . 4.48 118 99 A 6 VAL HA A 10 LEU HBy 1.0 . 4.91 119 100 A 6 VAL HA A 10 LEU HDy% 1.0 . 5.50 120 101 A 6 VAL HGx% A 6 VAL HA 1.0 . 3.15 121 102 A 6 VAL HGy% A 6 VAL HA 1.0 . 3.15 122 103 A 8 LYS H A 6 VAL HA 1.0 . 4.77 123 104 A 6 VAL HA A 9 VAL H 1.0 . 3.96 124 105 A 6 VAL HA A 9 VAL HB 1.0 . 3.37 125 106 A 6 VAL HA A 9 VAL HGy% 1.0 . 3.55 126 107 A 6 VAL HB A 7 LYS H 1.0 . 3.31 127 108 A 6 VAL HGx% A 10 LEU H 1.0 . 4.39 128 109 A 6 VAL HGx% A 11 LYS H 1.0 . 5.50 129 110 A 6 VAL HGx% A 7 LYS HA 1.0 . 4.27 130 111 A 6 VAL HGy% A 7 LYS H 1.0 . 4.11 131 112 A 6 VAL HGy% A 7 LYS HA 1.0 . 5.50 132 113 A 7 LYS H A 10 LEU HDy% 1.0 . 5.30 133 114 A 7 LYS H A 7 LYS HGx 1.0 . 4.21 134 115 A 7 LYS H A 7 LYS HGy 1.0 . 4.43 135 116 A 7 LYS H A 7 LYS HEx 1.0 . 5.50 136 116 A 7 LYS H A 7 LYS HEy 1.0 . 5.50 137 117 A 7 LYS H A 8 LYS H 1.0 . 3.45 138 118 A 7 LYS H A 9 VAL H 1.0 . 4.64 139 119 A 10 LEU H A 7 LYS HA 1.0 . 4.11 140 120 A 7 LYS HA A 10 LEU HBx 1.0 . 4.90 141 121 A 7 LYS HA A 10 LEU HG 1.0 . 3.71 142 122 A 11 LYS H A 7 LYS HA 1.0 . 4.65 143 123 A 7 LYS HBx A 7 LYS HA 1.0 . 3.00 144 124 A 7 LYS HA A 7 LYS HGx 1.0 . 4.00 145 125 A 7 LYS HGy A 7 LYS HA 1.0 . 3.67 146 126 A 9 VAL H A 7 LYS HA 1.0 . 5.50 147 127 A 9 VAL HGy% A 7 LYS HA 1.0 . 5.50 148 128 A 7 LYS HBy A 8 LYS H 1.0 . 3.42 149 129 A 10 LEU HDy% A 7 LYS HGx 1.0 . 3.68 150 130 A 8 LYS H A 7 LYS HGx 1.0 . 5.29 151 131 A 7 LYS HGy A 8 LYS H 1.0 . 5.33 152 132 A 8 LYS H A 10 LEU H 1.0 . 4.82 153 133 A 8 LYS H A 11 LYS H 1.0 . 4.87 154 134 A 8 LYS H A 8 LYS HGx 1.0 . 4.74 155 135 A 8 LYS H A 8 LYS HGy 1.0 . 4.74 156 136 A 8 LYS H A 8 LYS HBx 1.0 . 3.01 157 136 A 8 LYS H A 8 LYS HBy 1.0 . 3.01 158 137 A 8 LYS H A 8 LYS HGy 1.0 . 3.98 159 137 A 8 LYS H A 8 LYS HGx 1.0 . 3.98 160 138 A 8 LYS H A 9 VAL H 1.0 . 3.24 161 139 A 8 LYS H A 9 VAL HA 1.0 . 5.34 162 140 A 8 LYS H A 9 VAL HB 1.0 . 5.07 163 141 A 8 LYS H A 9 VAL HGy% 1.0 . 4.79 164 142 A 9 VAL H A 8 LYS HBx 1.0 . 3.36 165 142 A 8 LYS HBy A 9 VAL H 1.0 . 3.36 166 143 A 9 VAL HGy% A 8 LYS HBx 1.0 . 4.30 167 143 A 8 LYS HBy A 9 VAL HGy% 1.0 . 4.30 168 144 A 9 VAL H A 8 LYS HGy 1.0 . 5.11 169 144 A 9 VAL H A 8 LYS HGx 1.0 . 5.11 170 145 A 9 VAL H A 10 LEU H 1.0 . 3.36 171 146 A 9 VAL H A 10 LEU HA 1.0 . 5.24 172 147 A 9 VAL H A 10 LEU HG 1.0 . 4.48 173 148 A 9 VAL H A 10 LEU HDy% 1.0 . 4.54 174 149 A 9 VAL H A 11 LYS H 1.0 . 4.81 175 150 A 9 VAL H A 9 VAL HB 1.0 . 3.04 176 151 A 9 VAL H A 9 VAL HGx% 1.0 . 3.85 177 152 A 9 VAL H A 9 VAL HGy% 1.0 . 3.19 178 153 A 11 LYS H A 9 VAL HA 1.0 . 4.89 179 154 A 9 VAL HA A 12 LEU H 1.0 . 3.96 180 155 A 9 VAL HA A 12 LEU HBx 1.0 . 3.54 181 156 A 9 VAL HA A 12 LEU HBy 1.0 . 4.40 182 157 A 9 VAL HA A 12 LEU HG 1.0 . 4.61 183 158 A 9 VAL HA A 13 LEU H 1.0 . 4.66 184 159 A 9 VAL HA A 9 VAL HGx% 1.0 . 3.25 185 160 A 9 VAL HGy% A 9 VAL HA 1.0 . 3.14 186 161 A 10 LEU H A 9 VAL HB 1.0 . 3.37 187 162 A 9 VAL HB A 10 LEU HA 1.0 . 5.10 188 163 A 10 LEU HBy A 9 VAL HB 1.0 . 4.55 189 164 A 10 LEU HDy% A 9 VAL HB 1.0 . 5.50 190 165 A 9 VAL HB A 11 LYS H 1.0 . 5.50 191 166 A 9 VAL HB A 13 LEU HDx% 1.0 . 5.50 192 167 A 10 LEU H A 9 VAL HGx% 1.0 . 4.59 193 168 A 10 LEU HA A 9 VAL HGx% 1.0 . 3.95 194 169 A 11 LYS H A 9 VAL HGx% 1.0 . 5.00 195 170 A 9 VAL HGx% A 13 LEU H 1.0 . 4.22 196 171 A 9 VAL HGy% A 10 LEU H 1.0 . 4.38 197 172 A 9 VAL HGy% A 10 LEU HA 1.0 . 5.50 198 173 A 9 VAL HGy% A 10 LEU HBy 1.0 . 5.50 199 174 A 9 VAL HGy% A 11 LYS H 1.0 . 5.50 200 175 A 9 VAL HGy% A 12 LEU H 1.0 . 5.50 201 176 A 9 VAL HGy% A 13 LEU H 1.0 . 5.50 202 177 A 9 VAL HGy% A 13 LEU HG 1.0 . 5.50 203 178 A 10 LEU H A 10 LEU HBx 1.0 . 3.76 204 179 A 10 LEU H A 10 LEU HBy 1.0 . 2.98 205 180 A 10 LEU H A 10 LEU HG 1.0 . 3.37 206 181 A 10 LEU H A 10 LEU HDy% 1.0 . 4.06 207 182 A 10 LEU H A 11 LYS H 1.0 . 3.48 208 183 A 10 LEU H A 11 LYS HBx 1.0 . 4.51 209 183 A 10 LEU H A 11 LYS HBy 1.0 . 4.51 210 184 A 10 LEU H A 12 LEU H 1.0 . 5.00 211 185 A 10 LEU HBx A 10 LEU HA 1.0 . 3.00 212 186 A 10 LEU HBy A 10 LEU HA 1.0 . 3.01 213 187 A 10 LEU HA A 10 LEU HDx% 1.0 . 3.82 214 188 A 10 LEU HA A 13 LEU H 1.0 . 3.87 215 189 A 10 LEU HA A 13 LEU HBx 1.0 . 3.37 216 190 A 10 LEU HA A 13 LEU HBy 1.0 . 4.71 217 191 A 10 LEU HA A 13 LEU HDx% 1.0 . 4.13 218 192 A 10 LEU HA A 14 LYS H 1.0 . 4.95 219 193 A 10 LEU HBx A 10 LEU HDx% 1.0 . 3.42 220 194 A 10 LEU HBy A 10 LEU HDy% 1.0 . 3.12 221 195 A 12 LEU H A 10 LEU HDx% 1.0 . 5.39 222 196 A 10 LEU HDx% A 14 LYS H 1.0 . 5.21 223 197 A 11 LYS H A 12 LEU H 1.0 . 3.33 224 198 A 11 LYS H A 12 LEU HA 1.0 . 5.29 225 199 A 11 LYS H A 12 LEU HDx% 1.0 . 5.50 226 200 A 11 LYS H A 13 LEU H 1.0 . 4.76 227 201 A 11 LYS H A 14 LYS H 1.0 . 4.80 228 202 A 11 LYS HA A 11 LYS HBx 1.0 . 2.97 229 202 A 11 LYS HBy A 11 LYS HA 1.0 . 2.97 230 203 A 11 LYS HA A 11 LYS HDx 1.0 . 4.23 231 203 A 11 LYS HA A 11 LYS HDy 1.0 . 4.23 232 204 A 11 LYS HA A 11 LYS HGy 1.0 . 3.66 233 204 A 11 LYS HA A 11 LYS HGx 1.0 . 3.66 234 205 A 14 LYS H A 11 LYS HA 1.0 . 4.41 235 206 A 11 LYS HGx A 11 LYS HEy 1.0 . 3.82 236 206 A 11 LYS HGx A 11 LYS HEx 1.0 . 3.82 237 207 A 11 LYS HEy A 11 LYS HGy 1.0 . 3.26 238 207 A 11 LYS HEx A 11 LYS HGy 1.0 . 3.26 239 207 A 11 LYS HGx A 11 LYS HEx 1.0 . 3.26 240 207 A 11 LYS HGx A 11 LYS HEy 1.0 . 3.26 241 208 A 12 LEU H A 11 LYS HGy 1.0 . 5.34 242 208 A 12 LEU H A 11 LYS HGx 1.0 . 5.34 243 209 A 12 LEU H A 12 LEU HBy 1.0 . 3.72 244 210 A 12 LEU H A 12 LEU HG 1.0 . 3.49 245 211 A 12 LEU H A 12 LEU HDx% 1.0 . 4.22 246 212 A 12 LEU H A 13 LEU H 1.0 . 3.32 247 213 A 12 LEU H A 13 LEU HDx% 1.0 . 5.50 248 214 A 12 LEU HA A 12 LEU HDy% 1.0 . 3.30 249 215 A 12 LEU HBx A 12 LEU HDx% 1.0 . 3.34 250 216 A 12 LEU HBx A 13 LEU H 1.0 . 3.73 251 217 A 12 LEU HBy A 12 LEU HDx% 1.0 . 3.52 252 218 A 12 LEU HBy A 12 LEU HDy% 1.0 . 3.15 253 219 A 12 LEU HBy A 13 LEU H 1.0 . 3.77 254 220 A 12 LEU HG A 13 LEU H 1.0 . 4.85 255 221 A 13 LEU H A 12 LEU HDx% 1.0 . 5.22 256 222 A 13 LEU H A 13 LEU HBy 1.0 . 3.76 257 223 A 13 LEU H A 13 LEU HDx% 1.0 . 4.14 258 224 A 13 LEU H A 13 LEU HDy% 1.0 . 4.61 259 225 A 13 LEU H A 14 LYS H 1.0 . 3.36 260 226 A 13 LEU HDy% A 13 LEU HA 1.0 . 3.09 261 227 A 13 LEU HBx A 14 LYS H 1.0 . 3.63 262 228 A 13 LEU HDx% A 13 LEU HBy 1.0 . 4.22 263 229 A 13 LEU HBy A 13 LEU HDy% 1.0 . 3.98 264 230 A 13 LEU HBy A 14 LYS H 1.0 . 3.64 265 231 A 13 LEU HDx% A 14 LYS H 1.0 . 5.50 266 232 A 13 LEU HDy% A 14 LYS HA 1.0 . 5.50 267 233 A 14 LYS H A 14 LYS HBx 1.0 . 3.19 268 233 A 14 LYS H A 14 LYS HBy 1.0 . 3.19 269 234 A 14 LYS H A 14 LYS HDx 1.0 . 4.66 270 234 A 14 LYS H A 14 LYS HDy 1.0 . 4.66 271 235 A 14 LYS H A 14 LYS HGx 1.0 . 4.51 272 235 A 14 LYS H A 14 LYS HGy 1.0 . 4.51 273 236 A 14 LYS HA A 14 LYS HDx 1.0 . 4.68 274 236 A 14 LYS HA A 14 LYS HDy 1.0 . 4.68 275 237 A 14 LYS HA A 14 LYS HGx 1.0 . 3.74 276 237 A 14 LYS HA A 14 LYS HGy 1.0 . 3.74 stop_ save_