data_nef_c30217_5ua6 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 30211 BMRB 30212 BMRB 30213 BMRB 30214 BMRB 30215 BMRB 30216 BMRB 30218 BMRB 30219 PDB 5UA6 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 22 MET C 1 23 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 VAL middle . . 3 A 3 VAL middle . . 4 A 4 ASP middle . . 5 A 5 ILE middle . . 6 A 6 LEU middle . . 7 A 7 LYS middle . . 8 A 8 GLY middle . false 9 A 9 ALA middle . . 10 A 10 ALA middle . . 11 A 11 LYS middle . . 12 A 12 ASP middle . . 13 A 13 ILE middle . . 14 A 14 ALA middle . . 15 A 15 GLY middle . false 16 A 16 HIS middle . . 17 A 17 LEU middle . . 18 A 18 ALA middle . . 19 A 19 SER middle . . 20 A 20 LYS middle . . 21 A 21 VAL middle . . 22 A 22 MET middle -OXT . 23 A 23 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 HAy H 1 4.130 . A 1 GLY HAx H 1 4.036 . A 1 GLY CA C 13 43.455 . A 2 VAL H H 1 8.741 . A 2 VAL HA H 1 3.751 . A 2 VAL HB H 1 2.171 . A 2 VAL HGx% H 1 1.105 . A 2 VAL HGy% H 1 0.999 . A 2 VAL CA C 13 66.078 . A 2 VAL CB C 13 31.817 . A 2 VAL CGy C 13 23.385 . A 2 VAL CGx C 13 21.362 . A 2 VAL N N 15 120.745 . A 3 VAL H H 1 8.241 . A 3 VAL HA H 1 3.590 . A 3 VAL HB H 1 2.128 . A 3 VAL HGx% H 1 1.087 . A 3 VAL HGy% H 1 0.985 . A 3 VAL CB C 13 30.823 . A 3 VAL CGy C 13 23.180 . A 3 VAL CGx C 13 21.478 . A 3 VAL N N 15 118.916 . A 4 ASP H H 1 7.714 . A 4 ASP HA H 1 4.389 . A 4 ASP HBx H 1 2.916 . A 4 ASP CB C 13 38.624 . A 4 ASP N N 15 117.393 . A 5 ILE H H 1 7.696 . A 5 ILE HA H 1 3.900 . A 5 ILE HB H 1 2.069 . A 5 ILE HD1% H 1 0.878 . A 5 ILE HG1y H 1 1.707 . A 5 ILE HG1x H 1 1.291 . A 5 ILE HG2% H 1 0.943 . A 5 ILE CA C 13 63.962 . A 5 ILE CB C 13 37.651 . A 5 ILE CD1 C 13 12.858 . A 5 ILE CG1 C 13 28.564 . A 5 ILE CG2 C 13 17.434 . A 5 ILE N N 15 121.165 . A 6 LEU H H 1 8.177 . A 6 LEU HA H 1 4.046 . A 6 LEU HBy H 1 1.956 . A 6 LEU HBx H 1 1.517 . A 6 LEU HDx% H 1 0.879 . A 6 LEU HDy% H 1 0.838 . A 6 LEU HG H 1 1.912 . A 6 LEU CA C 13 57.880 . A 6 LEU CB C 13 41.565 . A 6 LEU CDy C 13 25.594 . A 6 LEU CDx C 13 22.849 . A 6 LEU CG C 13 26.552 . A 6 LEU N N 15 120.041 . A 7 LYS H H 1 8.492 . A 7 LYS HA H 1 3.873 . A 7 LYS HBx H 1 1.926 . A 7 LYS HDx H 1 1.744 . A 7 LYS HEy H 1 2.940 . A 7 LYS HEx H 1 2.905 . A 7 LYS HGx H 1 1.320 . A 7 LYS CA C 13 60.616 . A 7 LYS CB C 13 32.372 . A 7 LYS CD C 13 29.527 . A 7 LYS CE C 13 41.900 . A 7 LYS N N 15 117.818 . A 8 GLY H H 1 7.933 . A 8 GLY HAy H 1 3.944 . A 8 GLY HAx H 1 3.836 . A 8 GLY N N 15 105.894 . A 9 ALA H H 1 8.397 . A 9 ALA HA H 1 4.223 . A 9 ALA HB% H 1 1.523 . A 9 ALA CA C 13 54.668 . A 9 ALA CB C 13 18.413 . A 10 ALA H H 1 8.464 . A 10 ALA HA H 1 3.954 . A 10 ALA HB% H 1 1.528 . A 10 ALA CA C 13 55.364 . A 10 ALA CB C 13 18.130 . A 10 ALA N N 15 119.916 . A 11 LYS H H 1 8.089 . A 11 LYS HA H 1 3.938 . A 11 LYS HBy H 1 1.971 . A 11 LYS HBx H 1 1.755 . A 11 LYS HDx H 1 1.531 . A 11 LYS HDy H 1 1.764 . A 11 LYS HEx H 1 2.994 . A 11 LYS HGy H 1 1.645 . A 11 LYS HGx H 1 1.467 . A 11 LYS CA C 13 59.676 . A 11 LYS CB C 13 31.893 . A 11 LYS CD C 13 29.096 . A 11 LYS CE C 13 42.023 . A 11 LYS CG C 13 25.332 . A 11 LYS N N 15 116.536 . A 12 ASP H H 1 8.067 . A 12 ASP HA H 1 4.531 . A 12 ASP HBy H 1 3.175 . A 12 ASP HBx H 1 2.988 . A 12 ASP CB C 13 37.336 . A 12 ASP N N 15 119.199 . A 13 ILE H H 1 8.557 . A 13 ILE HA H 1 3.714 . A 13 ILE HB H 1 1.991 . A 13 ILE HD1% H 1 0.842 . A 13 ILE HG1x H 1 1.118 . A 13 ILE HG2% H 1 0.939 . A 13 ILE CA C 13 65.147 . A 13 ILE CB C 13 38.049 . A 13 ILE CD1 C 13 13.412 . A 13 ILE CG1 C 13 22.230 . A 13 ILE N N 15 121.281 . A 14 ALA H H 1 8.609 . A 14 ALA HA H 1 4.001 . A 14 ALA HB% H 1 1.543 . A 14 ALA CA C 13 55.594 . A 14 ALA CB C 13 18.359 . A 14 ALA N N 15 122.382 . A 15 GLY H H 1 8.320 . A 15 GLY HAy H 1 4.043 . A 15 GLY HAx H 1 3.884 . A 16 HIS H H 1 7.961 . A 16 HIS HA H 1 4.510 . A 16 HIS HBx H 1 3.380 . A 16 HIS HD2 H 1 7.350 . A 16 HIS CA C 13 58.333 . A 16 HIS CB C 13 28.170 . A 16 HIS N N 15 119.338 . A 17 LEU H H 1 8.395 . A 17 LEU HA H 1 4.154 . A 17 LEU HBy H 1 1.891 . A 17 LEU HBx H 1 1.601 . A 17 LEU HDx% H 1 0.910 . A 17 LEU HG H 1 1.862 . A 17 LEU CA C 13 57.350 . A 17 LEU CB C 13 41.882 . A 17 LEU CDx C 13 23.526 . A 17 LEU CG C 13 26.862 . A 17 LEU N N 15 120.458 . A 18 ALA H H 1 8.541 . A 18 ALA HA H 1 4.001 . A 18 ALA HB% H 1 1.523 . A 18 ALA CA C 13 55.255 . A 18 ALA CB C 13 17.909 . A 18 ALA N N 15 120.692 . A 19 SER H H 1 7.797 . A 19 SER HA H 1 4.218 . A 19 SER HBy H 1 4.009 . A 19 SER HBx H 1 3.947 . A 19 SER CA C 13 60.723 . A 19 SER CB C 13 62.905 . A 19 SER N N 15 111.031 . A 20 LYS H H 1 7.689 . A 20 LYS HA H 1 4.207 . A 20 LYS HBy H 1 1.983 . A 20 LYS HBx H 1 1.859 . A 20 LYS HDx H 1 1.752 . A 20 LYS HEx H 1 2.991 . A 20 LYS HGy H 1 1.519 . A 20 LYS HGx H 1 1.462 . A 20 LYS CB C 13 32.522 . A 20 LYS CE C 13 41.967 . A 20 LYS CG C 13 24.529 . A 21 VAL H H 1 7.810 . A 21 VAL HA H 1 4.015 . A 21 VAL HB H 1 2.150 . A 21 VAL HGx% H 1 1.024 . A 21 VAL HGy% H 1 0.978 . A 21 VAL CA C 13 63.811 . A 21 VAL CB C 13 32.430 . A 21 VAL CGx C 13 21.286 . A 21 VAL CGy C 13 21.625 . A 21 VAL N N 15 115.880 . A 22 MET H H 1 8.002 . A 22 MET HA H 1 4.415 . A 22 MET HBy H 1 2.669 . A 22 MET HBx H 1 2.561 . A 22 MET HGy H 1 2.157 . A 22 MET HGx H 1 2.050 . A 22 MET CA C 13 55.671 . A 22 MET CB C 13 32.363 . A 22 MET CG C 13 32.739 . A 22 MET N N 15 118.554 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 1 GLY HAx A 1 GLY HAy 1.0 1.8 3.4 2 2 A 1 GLY HAx A 1 GLY HAy 1.0 1.8 2.8 3 3 A 2 VAL HB A 2 VAL HA 1.0 1.8 3.4 4 4 A 2 VAL HB A 2 VAL HA 1.0 1.8 3.4 5 5 A 2 VAL HA A 2 VAL HGx% 1.0 1.8 5.0 6 6 A 2 VAL HA A 2 VAL HGx% 1.0 1.8 5.0 7 7 A 2 VAL HB A 2 VAL HGx% 1.0 1.8 5.0 8 8 A 2 VAL HB A 2 VAL HGx% 1.0 1.8 5.0 9 9 A 2 VAL HA A 2 VAL HGy% 1.0 1.8 5.0 10 10 A 2 VAL HA A 2 VAL HGy% 1.0 1.8 5.0 11 11 A 2 VAL HB A 2 VAL HGy% 1.0 1.8 5.0 12 12 A 2 VAL HGx% A 2 VAL HGy% 1.0 1.8 5.0 13 13 A 2 VAL HA A 2 VAL H 1.0 1.8 3.4 14 14 A 2 VAL HA A 2 VAL H 1.0 1.8 3.4 15 15 A 2 VAL HB A 2 VAL H 1.0 1.8 3.4 16 16 A 2 VAL HB A 2 VAL H 1.0 1.8 3.4 17 17 A 2 VAL HGx% A 2 VAL H 1.0 1.8 5.0 18 18 A 2 VAL HGx% A 2 VAL H 1.0 1.8 5.0 19 19 A 2 VAL HGy% A 2 VAL H 1.0 1.8 5.0 20 20 A 2 VAL HGy% A 2 VAL H 1.0 1.8 5.0 21 21 A 3 VAL HA A 3 VAL HB 1.0 1.8 3.4 22 22 A 3 VAL HA A 3 VAL HB 1.0 1.8 3.4 23 23 A 3 VAL HA A 3 VAL HGx% 1.0 1.8 5.0 24 24 A 3 VAL HA A 3 VAL HGx% 1.0 1.8 5.0 25 25 A 3 VAL HB A 3 VAL HGx% 1.0 1.8 5.0 26 26 A 3 VAL HB A 3 VAL HGx% 1.0 1.8 3.4 27 27 A 3 VAL HA A 3 VAL HGy% 1.0 1.8 5.0 28 28 A 3 VAL HA A 3 VAL HGy% 1.0 1.8 5.0 29 29 A 3 VAL HB A 3 VAL HGy% 1.0 1.8 5.0 30 30 A 3 VAL HA A 3 VAL H 1.0 1.8 3.4 31 31 A 3 VAL HA A 3 VAL H 1.0 1.8 3.4 32 32 A 3 VAL HB A 3 VAL H 1.0 1.8 2.8 33 33 A 3 VAL HB A 3 VAL H 1.0 1.8 2.8 34 34 A 3 VAL HGx% A 3 VAL H 1.0 1.8 5.0 35 35 A 3 VAL HGx% A 3 VAL H 1.0 1.8 5.0 36 36 A 3 VAL HGy% A 3 VAL H 1.0 1.8 5.0 37 37 A 3 VAL HGy% A 3 VAL H 1.0 1.8 5.0 38 38 A 4 ASP HBy A 4 ASP HA 1.0 1.8 2.8 39 39 A 4 ASP HBy A 4 ASP HA 1.0 1.8 5.0 40 40 A 4 ASP HA A 4 ASP H 1.0 1.8 3.4 41 41 A 4 ASP HA A 4 ASP H 1.0 1.8 5.0 42 42 A 4 ASP HBy A 4 ASP H 1.0 1.8 2.8 43 43 A 4 ASP HBy A 4 ASP H 1.0 1.8 2.8 44 44 A 5 ILE HB A 5 ILE HA 1.0 1.8 5.0 45 45 A 5 ILE HB A 5 ILE HA 1.0 1.8 5.0 46 46 A 5 ILE HA A 5 ILE HD1% 1.0 1.8 5.0 47 47 A 5 ILE HA A 5 ILE HD1% 1.0 1.8 5.0 48 48 A 5 ILE HB A 5 ILE HD1% 1.0 1.8 5.0 49 49 A 5 ILE HB A 5 ILE HD1% 1.0 1.8 5.0 50 50 A 5 ILE HA A 5 ILE HG1x 1.0 1.8 5.0 51 51 A 5 ILE HA A 5 ILE HG1x 1.0 1.8 5.0 52 52 A 5 ILE HB A 5 ILE HG1x 1.0 1.8 5.0 53 53 A 5 ILE HB A 5 ILE HG1x 1.0 1.8 5.0 54 54 A 5 ILE HD1% A 5 ILE HG1x 1.0 1.8 5.0 55 55 A 5 ILE HD1% A 5 ILE HG1x 1.0 1.8 5.0 56 56 A 5 ILE HA A 5 ILE HG1y 1.0 1.8 3.4 57 57 A 5 ILE HA A 5 ILE HG1y 1.0 1.8 3.4 58 58 A 5 ILE HB A 5 ILE HG1y 1.0 1.8 5.0 59 59 A 5 ILE HB A 5 ILE HG1y 1.0 1.8 3.4 60 60 A 5 ILE HD1% A 5 ILE HG1y 1.0 1.8 5.0 61 61 A 5 ILE HG1x A 5 ILE HG1y 1.0 1.8 2.8 62 62 A 5 ILE HA A 5 ILE HG2% 1.0 1.8 5.0 63 63 A 5 ILE HA A 5 ILE HG2% 1.0 1.8 5.0 64 64 A 5 ILE HB A 5 ILE HG2% 1.0 1.8 5.0 65 65 A 5 ILE HB A 5 ILE HG2% 1.0 1.8 5.0 66 66 A 5 ILE HG1x A 5 ILE HG2% 1.0 1.8 5.0 67 67 A 5 ILE HG1x A 5 ILE HG2% 1.0 1.8 5.0 68 68 A 5 ILE HG1y A 5 ILE HG2% 1.0 1.8 5.0 69 69 A 5 ILE HA A 5 ILE H 1.0 1.8 5.0 70 70 A 5 ILE HA A 5 ILE H 1.0 1.8 3.4 71 71 A 5 ILE HB A 5 ILE H 1.0 1.8 2.8 72 72 A 5 ILE HB A 5 ILE H 1.0 1.8 2.8 73 73 A 5 ILE HD1% A 5 ILE H 1.0 1.8 5.0 74 74 A 5 ILE HD1% A 5 ILE H 1.0 1.8 5.0 75 75 A 5 ILE HG1x A 5 ILE H 1.0 1.8 3.4 76 76 A 5 ILE HG1x A 5 ILE H 1.0 1.8 3.4 77 77 A 5 ILE HG1y A 5 ILE H 1.0 1.8 5.0 78 78 A 5 ILE HG2% A 5 ILE H 1.0 1.8 5.0 79 79 A 5 ILE HG2% A 5 ILE H 1.0 1.8 5.0 80 80 A 6 LEU HBx A 6 LEU HA 1.0 1.8 5.0 81 81 A 6 LEU HBx A 6 LEU HA 1.0 1.8 5.0 82 82 A 6 LEU HA A 6 LEU HBy 1.0 1.8 2.8 83 83 A 6 LEU HA A 6 LEU HBy 1.0 1.8 2.8 84 84 A 6 LEU HBx A 6 LEU HBy 1.0 1.8 2.8 85 85 A 6 LEU HBx A 6 LEU HBy 1.0 1.8 2.8 86 86 A 6 LEU HA A 6 LEU HDx% 1.0 1.8 5.0 87 87 A 6 LEU HBy A 6 LEU HDx% 1.0 1.8 5.0 88 88 A 6 LEU HBy A 6 LEU HDx% 1.0 1.8 5.0 89 89 A 6 LEU HA A 6 LEU HDy% 1.0 3.4 5.0 90 90 A 6 LEU HA A 6 LEU HDy% 1.0 1.8 5.0 91 91 A 6 LEU HBy A 6 LEU HDy% 1.0 1.8 3.4 92 92 A 6 LEU HA A 6 LEU HG 1.0 1.8 5.0 93 93 A 6 LEU HA A 6 LEU HG 1.0 1.8 5.0 94 94 A 6 LEU HDx% A 6 LEU HG 1.0 1.8 5.0 95 95 A 6 LEU HA A 6 LEU H 1.0 1.8 5.0 96 96 A 6 LEU HA A 6 LEU H 1.0 1.8 3.4 97 97 A 6 LEU HBx A 6 LEU H 1.0 1.8 2.8 98 98 A 6 LEU HBx A 6 LEU H 1.0 1.8 3.4 99 99 A 6 LEU HBy A 6 LEU H 1.0 1.8 5.0 100 100 A 6 LEU HBy A 6 LEU H 1.0 1.8 3.4 101 101 A 6 LEU HDx% A 6 LEU H 1.0 1.8 5.0 102 102 A 6 LEU HDx% A 6 LEU H 1.0 1.8 5.0 103 103 A 6 LEU HDy% A 6 LEU H 1.0 1.8 5.0 104 104 A 6 LEU HG A 6 LEU H 1.0 1.8 3.4 105 105 A 6 LEU HG A 6 LEU H 1.0 1.8 5.0 106 106 A 7 LYS HA A 7 LYS HBy 1.0 1.8 2.8 107 107 A 7 LYS HA A 7 LYS HBy 1.0 1.8 2.8 108 108 A 7 LYS HA A 7 LYS HDy 1.0 1.8 3.4 109 109 A 7 LYS HA A 7 LYS HDy 1.0 1.8 3.4 110 110 A 7 LYS HBy A 7 LYS HDy 1.0 1.8 3.4 111 111 A 7 LYS HBy A 7 LYS HDy 1.0 1.8 3.4 112 112 A 7 LYS HBy A 7 LYS HEx 1.0 1.8 5.0 113 113 A 7 LYS HDy A 7 LYS HEx 1.0 1.8 3.4 114 114 A 7 LYS HBy A 7 LYS HEy 1.0 1.8 5.0 115 115 A 7 LYS HBy A 7 LYS HEy 1.0 1.8 5.0 116 116 A 7 LYS HDy A 7 LYS HEy 1.0 1.8 5.0 117 117 A 7 LYS HDy A 7 LYS HEy 1.0 1.8 5.0 118 118 A 7 LYS HA A 7 LYS HGy 1.0 1.8 5.0 119 119 A 7 LYS HA A 7 LYS HGy 1.0 1.8 5.0 120 120 A 7 LYS HBy A 7 LYS HGy 1.0 1.8 3.4 121 121 A 7 LYS HBy A 7 LYS HGy 1.0 1.8 5.0 122 122 A 7 LYS HDy A 7 LYS HGy 1.0 1.8 3.4 123 123 A 7 LYS HDy A 7 LYS HGy 1.0 1.8 3.4 124 124 A 7 LYS HEx A 7 LYS HGy 1.0 1.8 5.0 125 125 A 7 LYS HEy A 7 LYS HGy 1.0 1.8 5.0 126 126 A 7 LYS HA A 7 LYS H 1.0 1.8 3.4 127 127 A 7 LYS HA A 7 LYS H 1.0 1.8 3.4 128 128 A 7 LYS HBy A 7 LYS H 1.0 1.8 3.4 129 129 A 7 LYS HBy A 7 LYS H 1.0 1.8 3.4 130 130 A 7 LYS HDy A 7 LYS H 1.0 1.8 3.4 131 131 A 7 LYS HDy A 7 LYS H 1.0 1.8 3.4 132 132 A 7 LYS HGy A 7 LYS H 1.0 1.8 5.0 133 133 A 8 GLY HAx A 8 GLY HAy 1.0 1.8 2.8 134 134 A 8 GLY HAx A 8 GLY HAy 1.0 1.8 2.8 135 135 A 8 GLY HAx A 8 GLY H 1.0 1.8 2.8 136 136 A 8 GLY HAx A 8 GLY H 1.0 1.8 3.4 137 137 A 8 GLY HAy A 8 GLY H 1.0 1.8 2.8 138 138 A 8 GLY HAy A 8 GLY H 1.0 1.8 3.4 139 139 A 9 ALA HA A 9 ALA HB% 1.0 1.8 5.0 140 140 A 9 ALA HA A 9 ALA H 1.0 1.8 5.0 141 141 A 9 ALA HA A 9 ALA H 1.0 1.8 3.4 142 142 A 9 ALA HB% A 9 ALA H 1.0 1.8 3.4 143 143 A 9 ALA HB% A 9 ALA H 1.0 1.8 5.0 144 144 A 10 ALA HA A 10 ALA HB% 1.0 1.8 3.4 145 145 A 10 ALA HA A 10 ALA H 1.0 1.8 3.4 146 146 A 10 ALA HA A 10 ALA H 1.0 1.8 3.4 147 147 A 10 ALA HB% A 10 ALA H 1.0 1.8 2.8 148 148 A 10 ALA HB% A 10 ALA H 1.0 1.8 2.8 149 149 A 11 LYS HBx A 11 LYS HA 1.0 1.8 3.4 150 150 A 11 LYS HBx A 11 LYS HA 1.0 1.8 3.4 151 151 A 11 LYS HA A 11 LYS HBy 1.0 1.8 5.0 152 152 A 11 LYS HA A 11 LYS HDx 1.0 4.0 5.0 153 153 A 11 LYS HDy A 11 LYS HEy 1.0 1.8 5.0 154 154 A 11 LYS HDy A 11 LYS HEy 1.0 1.8 3.4 155 155 A 11 LYS HA A 11 LYS HGx 1.0 1.8 5.0 156 156 A 11 LYS HBy A 11 LYS HGx 1.0 1.8 3.4 157 157 A 11 LYS HDy A 11 LYS HGx 1.0 1.8 5.0 158 158 A 11 LYS HEy A 11 LYS HGx 1.0 1.8 5.0 159 159 A 11 LYS HEy A 11 LYS HGx 1.0 1.8 5.0 160 160 A 11 LYS HA A 11 LYS HGy 1.0 1.8 5.0 161 161 A 11 LYS HEy A 11 LYS HGy 1.0 1.8 5.0 162 162 A 11 LYS HGx A 11 LYS HGy 1.0 1.8 2.8 163 163 A 11 LYS HGx A 11 LYS HGy 1.0 1.8 2.8 164 164 A 11 LYS HA A 11 LYS H 1.0 1.8 3.4 165 165 A 11 LYS HA A 11 LYS H 1.0 1.8 3.4 166 166 A 11 LYS HBx A 11 LYS H 1.0 1.8 3.4 167 167 A 11 LYS HBx A 11 LYS H 1.0 1.8 3.4 168 168 A 11 LYS HDx A 11 LYS H 1.0 1.8 3.4 169 169 A 11 LYS HDx A 11 LYS H 1.0 1.8 3.4 170 170 A 11 LYS HGx A 11 LYS H 1.0 1.8 5.0 171 171 A 11 LYS HGx A 11 LYS H 1.0 1.8 5.0 172 172 A 11 LYS HGy A 11 LYS H 1.0 1.8 5.0 173 173 A 12 ASP HBx A 12 ASP HA 1.0 1.8 3.4 174 174 A 12 ASP HA A 12 ASP HBy 1.0 1.8 3.4 175 175 A 12 ASP HBx A 12 ASP HBy 1.0 1.8 2.8 176 176 A 12 ASP HBx A 12 ASP HBy 1.0 1.8 2.8 177 177 A 12 ASP HA A 12 ASP H 1.0 1.8 3.4 178 178 A 12 ASP HBx A 12 ASP H 1.0 1.8 2.8 179 179 A 12 ASP HBx A 12 ASP H 1.0 1.8 3.4 180 180 A 12 ASP HBy A 12 ASP H 1.0 1.8 3.4 181 181 A 12 ASP HBy A 12 ASP H 1.0 1.8 5.0 182 182 A 13 ILE HA A 13 ILE HB 1.0 1.8 3.4 183 183 A 13 ILE HA A 13 ILE HB 1.0 1.8 5.0 184 184 A 13 ILE HA A 13 ILE HD1% 1.0 1.8 5.0 185 185 A 13 ILE HA A 13 ILE HD1% 1.0 1.8 5.0 186 186 A 13 ILE HB A 13 ILE HD1% 1.0 1.8 5.0 187 187 A 13 ILE HA A 13 ILE HG1y 1.0 1.8 3.4 188 188 A 13 ILE HB A 13 ILE HG1y 1.0 1.8 5.0 189 189 A 13 ILE HD1% A 13 ILE HG1y 1.0 1.8 5.0 190 190 A 13 ILE HD1% A 13 ILE HG1y 1.0 1.8 5.0 191 191 A 13 ILE HA A 13 ILE HG2% 1.0 1.8 5.0 192 192 A 13 ILE HA A 13 ILE HG2% 1.0 1.8 5.0 193 193 A 13 ILE HB A 13 ILE HG2% 1.0 1.8 5.0 194 194 A 13 ILE HB A 13 ILE HG2% 1.0 1.8 5.0 195 195 A 13 ILE HD1% A 13 ILE HG2% 1.0 1.8 5.0 196 196 A 13 ILE HG1y A 13 ILE HG2% 1.0 1.8 5.0 197 197 A 13 ILE HA A 13 ILE H 1.0 1.8 5.0 198 198 A 13 ILE HA A 13 ILE H 1.0 1.8 5.0 199 199 A 13 ILE HB A 13 ILE H 1.0 1.8 2.8 200 200 A 13 ILE HB A 13 ILE H 1.0 1.8 2.8 201 201 A 13 ILE HD1% A 13 ILE H 1.0 1.8 5.0 202 202 A 13 ILE HG1y A 13 ILE H 1.0 1.8 5.0 203 203 A 13 ILE HG1y A 13 ILE H 1.0 1.8 5.0 204 204 A 13 ILE HG2% A 13 ILE H 1.0 1.8 5.0 205 205 A 14 ALA HA A 14 ALA HB% 1.0 1.8 3.4 206 206 A 14 ALA HA A 14 ALA H 1.0 1.8 3.4 207 207 A 14 ALA HA A 14 ALA H 1.0 1.8 5.0 208 208 A 14 ALA HB% A 14 ALA H 1.0 1.8 3.4 209 209 A 14 ALA HB% A 14 ALA H 1.0 1.8 3.4 210 210 A 15 GLY HAx A 15 GLY HAy 1.0 1.8 2.8 211 211 A 15 GLY HAx A 15 GLY HAy 1.0 1.8 2.8 212 212 A 15 GLY HAx A 15 GLY H 1.0 1.8 5.0 213 213 A 15 GLY HAx A 15 GLY H 1.0 1.8 5.0 214 214 A 15 GLY HAy A 15 GLY H 1.0 1.8 3.4 215 215 A 15 GLY HAy A 15 GLY H 1.0 1.8 5.0 216 216 A 16 HIS HBy A 16 HIS HA 1.0 1.8 3.4 217 217 A 16 HIS HA A 16 HIS HD2 1.0 1.8 5.0 218 218 A 16 HIS HBy A 16 HIS HD2 1.0 1.8 5.0 219 219 A 16 HIS HBy A 16 HIS HD2 1.0 1.8 5.0 220 220 A 16 HIS HA A 16 HIS H 1.0 1.8 3.4 221 221 A 16 HIS HBy A 16 HIS H 1.0 1.8 2.8 222 222 A 16 HIS HBy A 16 HIS H 1.0 1.8 2.8 223 223 A 16 HIS HD2 A 16 HIS H 1.0 1.8 5.0 224 224 A 17 LEU HA A 17 LEU HBx 1.0 1.8 5.0 225 225 A 17 LEU HA A 17 LEU HBx 1.0 1.8 5.0 226 226 A 17 LEU HA A 17 LEU HBy 1.0 1.8 3.4 227 227 A 17 LEU HA A 17 LEU HBy 1.0 1.8 5.0 228 228 A 17 LEU HBx A 17 LEU HBy 1.0 1.8 2.8 229 229 A 17 LEU HBx A 17 LEU HBy 1.0 1.8 2.8 230 230 A 17 LEU HA A 17 LEU HDx% 1.0 1.8 3.4 231 231 A 17 LEU HA A 17 LEU HDx% 1.0 1.8 5.0 232 232 A 17 LEU HBy A 17 LEU HDx% 1.0 1.8 5.0 233 233 A 17 LEU HBy A 17 LEU HDx% 1.0 1.8 5.0 234 234 A 17 LEU HA A 17 LEU HG 1.0 1.8 5.0 235 235 A 17 LEU HDx% A 17 LEU HG 1.0 1.8 3.4 236 236 A 17 LEU HA A 17 LEU H 1.0 1.8 5.0 237 237 A 17 LEU HA A 17 LEU H 1.0 1.8 5.0 238 238 A 17 LEU HBx A 17 LEU H 1.0 1.8 3.4 239 239 A 17 LEU HBx A 17 LEU H 1.0 1.8 5.0 240 240 A 17 LEU HBy A 17 LEU H 1.0 1.8 5.0 241 241 A 17 LEU HBy A 17 LEU H 1.0 1.8 5.0 242 242 A 17 LEU HDx% A 17 LEU H 1.0 1.8 5.0 243 243 A 17 LEU HG A 17 LEU H 1.0 1.8 5.0 244 244 A 17 LEU HG A 17 LEU H 1.0 1.8 3.4 245 245 A 18 ALA H A 18 ALA HA 1.0 1.8 5.0 246 246 A 18 ALA H A 18 ALA HA 1.0 1.8 5.0 247 247 A 18 ALA H A 18 ALA HB% 1.0 1.8 3.4 248 248 A 18 ALA H A 18 ALA HB% 1.0 1.8 3.4 249 249 A 19 SER HBx A 19 SER HA 1.0 1.8 5.0 250 250 A 19 SER HBx A 19 SER HA 1.0 1.8 5.0 251 251 A 19 SER HA A 19 SER HBy 1.0 1.8 2.8 252 252 A 19 SER HA A 19 SER HBy 1.0 1.8 5.0 253 253 A 19 SER HA A 19 SER H 1.0 1.8 2.8 254 254 A 19 SER HA A 19 SER H 1.0 1.8 5.0 255 255 A 19 SER HBx A 19 SER H 1.0 1.8 3.4 256 256 A 19 SER HBx A 19 SER H 1.0 1.8 3.4 257 257 A 19 SER HBy A 19 SER H 1.0 1.8 5.0 258 258 A 19 SER HBy A 19 SER H 1.0 1.8 5.0 259 259 A 20 LYS HA A 20 LYS HBx 1.0 1.8 5.0 260 260 A 20 LYS HA A 20 LYS HBx 1.0 1.8 2.8 261 261 A 20 LYS HBx A 20 LYS HBy 1.0 1.8 3.4 262 262 A 20 LYS HBx A 20 LYS HBy 1.0 1.8 3.4 263 263 A 20 LYS HBx A 20 LYS HEy 1.0 1.8 5.0 264 264 A 20 LYS HBx A 20 LYS HEy 1.0 1.8 5.0 265 265 A 20 LYS HA A 20 LYS HGx 1.0 1.8 2.8 266 266 A 20 LYS HEy A 20 LYS HGx 1.0 1.8 5.0 267 267 A 20 LYS HEy A 20 LYS HGx 1.0 1.8 5.0 268 268 A 20 LYS HA A 20 LYS HGy 1.0 1.8 5.0 269 269 A 20 LYS HBx A 20 LYS HGy 1.0 1.8 3.4 270 270 A 20 LYS HBx A 20 LYS HGy 1.0 1.8 3.4 271 271 A 20 LYS HGy A 20 LYS HDy 1.0 1.8 3.4 272 272 A 20 LYS HGy A 20 LYS HDy 1.0 1.8 3.4 273 273 A 20 LYS HA A 20 LYS H 1.0 1.8 2.8 274 274 A 20 LYS HA A 20 LYS H 1.0 1.8 5.0 275 275 A 20 LYS HBx A 20 LYS H 1.0 1.8 2.8 276 276 A 20 LYS HBx A 20 LYS H 1.0 1.8 2.8 277 277 A 20 LYS HGx A 20 LYS H 1.0 1.8 5.0 278 278 A 20 LYS HGx A 20 LYS H 1.0 1.8 5.0 279 279 A 21 VAL HA A 21 VAL HB 1.0 1.8 3.4 280 280 A 21 VAL HA A 21 VAL HB 1.0 1.8 3.4 281 281 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 5.0 282 282 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 5.0 283 283 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 5.0 284 284 A 21 VAL HA A 21 VAL HGy% 1.0 1.8 5.0 285 285 A 21 VAL HB A 21 VAL HGy% 1.0 1.8 2.8 286 286 A 21 VAL HA A 21 VAL H 1.0 1.8 5.0 287 287 A 21 VAL HB A 21 VAL H 1.0 1.8 2.8 288 288 A 21 VAL HB A 21 VAL H 1.0 1.8 3.4 289 289 A 21 VAL HGx% A 21 VAL H 1.0 1.8 5.0 290 290 A 21 VAL HGx% A 21 VAL H 1.0 1.8 5.0 291 291 A 21 VAL HGy% A 21 VAL H 1.0 1.8 5.0 292 292 A 22 MET HBx A 22 MET HA 1.0 1.8 5.0 293 293 A 22 MET HA A 22 MET HBy 1.0 1.8 5.0 294 294 A 22 MET HBx A 22 MET HBy 1.0 1.8 2.8 295 295 A 22 MET HBx A 22 MET HBy 1.0 1.8 2.8 296 296 A 22 MET HA A 22 MET HGx 1.0 1.8 3.4 297 297 A 22 MET HBx A 22 MET HGx 1.0 1.8 5.0 298 298 A 22 MET HBx A 22 MET HGx 1.0 1.8 5.0 299 299 A 22 MET HBy A 22 MET HGx 1.0 1.8 5.0 300 300 A 22 MET HBy A 22 MET HGx 1.0 1.8 5.0 301 301 A 22 MET HA A 22 MET HGy 1.0 1.8 5.0 302 302 A 22 MET HBx A 22 MET HGy 1.0 1.8 5.0 303 303 A 22 MET HBx A 22 MET HGy 1.0 1.8 5.0 304 304 A 22 MET HBy A 22 MET HGy 1.0 1.8 5.0 305 305 A 22 MET HBy A 22 MET HGy 1.0 1.8 5.0 306 306 A 22 MET HGx A 22 MET HGy 1.0 1.8 2.8 307 307 A 22 MET HGx A 22 MET HGy 1.0 1.8 2.8 308 308 A 22 MET HA A 22 MET H 1.0 1.8 3.4 309 309 A 22 MET HBx A 22 MET H 1.0 1.8 5.0 310 310 A 22 MET HBx A 22 MET H 1.0 1.8 5.0 311 311 A 22 MET HBy A 22 MET H 1.0 1.8 5.0 312 312 A 22 MET HBy A 22 MET H 1.0 1.8 5.0 313 313 A 22 MET HGx A 22 MET H 1.0 1.8 3.4 314 314 A 22 MET HGx A 22 MET H 1.0 1.8 3.4 315 315 A 22 MET HGy A 22 MET H 1.0 1.8 3.4 316 316 A 22 MET HGy A 22 MET H 1.0 1.8 5.0 317 317 A 1 GLY HAx A 2 VAL H 1.0 1.8 3.4 318 318 A 1 GLY HAx A 2 VAL H 1.0 1.8 5.0 319 319 A 1 GLY HAy A 2 VAL H 1.0 1.8 5.0 320 320 A 1 GLY HAy A 2 VAL H 1.0 1.8 5.0 321 321 A 2 VAL HA A 3 VAL H 1.0 1.8 5.0 322 322 A 2 VAL HA A 3 VAL H 1.0 1.8 5.0 323 323 A 2 VAL HB A 3 VAL H 1.0 1.8 5.0 324 324 A 2 VAL HB A 3 VAL H 1.0 1.8 5.0 325 325 A 2 VAL H A 3 VAL H 1.0 1.8 5.0 326 326 A 2 VAL H A 3 VAL H 1.0 1.8 5.0 327 327 A 3 VAL HA A 4 ASP H 1.0 1.8 5.0 328 328 A 3 VAL HA A 4 ASP H 1.0 1.8 5.0 329 329 A 3 VAL HB A 4 ASP H 1.0 1.8 3.4 330 330 A 3 VAL HB A 4 ASP H 1.0 1.8 5.0 331 331 A 3 VAL HGx% A 4 ASP H 1.0 1.8 5.0 332 332 A 3 VAL H A 4 ASP H 1.0 1.8 3.4 333 333 A 3 VAL H A 4 ASP H 1.0 1.8 3.4 334 334 A 4 ASP HA A 5 ILE H 1.0 1.8 5.0 335 335 A 5 ILE HA A 6 LEU H 1.0 1.8 5.0 336 336 A 5 ILE HA A 6 LEU H 1.0 1.8 5.0 337 337 A 5 ILE HB A 6 LEU H 1.0 1.8 3.4 338 338 A 5 ILE HB A 6 LEU H 1.0 1.8 3.4 339 339 A 5 ILE HG2% A 6 LEU H 1.0 1.8 5.0 340 340 A 5 ILE H A 6 LEU H 1.0 1.8 3.4 341 341 A 5 ILE H A 6 LEU H 1.0 1.8 3.4 342 342 A 6 LEU HA A 7 LYS H 1.0 1.8 5.0 343 343 A 6 LEU HA A 7 LYS H 1.0 1.8 5.0 344 344 A 6 LEU H A 7 LYS H 1.0 1.8 3.4 345 345 A 6 LEU H A 7 LYS H 1.0 1.8 3.4 346 346 A 7 LYS HA A 8 GLY H 1.0 1.8 5.0 347 347 A 7 LYS HBy A 8 GLY H 1.0 3.4 5.0 348 348 A 7 LYS HBy A 8 GLY H 1.0 1.8 5.0 349 349 A 7 LYS HDy A 8 GLY H 1.0 1.8 5.0 350 350 A 7 LYS H A 8 GLY H 1.0 1.8 3.4 351 351 A 7 LYS H A 8 GLY H 1.0 1.8 3.4 352 352 A 8 GLY HAx A 9 ALA H 1.0 1.8 5.0 353 353 A 8 GLY HAx A 9 ALA H 1.0 1.8 5.0 354 354 A 8 GLY HAy A 9 ALA H 1.0 1.8 5.0 355 355 A 8 GLY HAy A 9 ALA H 1.0 1.8 5.0 356 356 A 9 ALA HA A 10 ALA H 1.0 1.8 5.0 357 357 A 9 ALA HA A 10 ALA H 1.0 1.8 5.0 358 358 A 9 ALA H A 10 ALA H 1.0 1.8 2.8 359 359 A 9 ALA H A 10 ALA H 1.0 1.8 3.4 360 360 A 10 ALA H A 11 LYS H 1.0 1.8 3.4 361 361 A 10 ALA H A 11 LYS H 1.0 1.8 3.4 362 362 A 11 LYS HA A 12 ASP H 1.0 1.8 5.0 363 363 A 11 LYS HBx A 12 ASP H 1.0 1.8 5.0 364 364 A 12 ASP HA A 13 ILE H 1.0 1.8 5.0 365 365 A 12 ASP HBx A 13 ILE H 1.0 1.8 5.0 366 366 A 12 ASP HBx A 13 ILE H 1.0 1.8 5.0 367 367 A 12 ASP HBy A 13 ILE H 1.0 1.8 5.0 368 368 A 12 ASP HBy A 13 ILE H 1.0 1.8 5.0 369 369 A 12 ASP H A 13 ILE H 1.0 1.8 3.4 370 370 A 12 ASP H A 13 ILE H 1.0 1.8 3.4 371 371 A 13 ILE HA A 14 ALA H 1.0 1.8 5.0 372 372 A 13 ILE HA A 14 ALA H 1.0 1.8 5.0 373 373 A 13 ILE HB A 14 ALA H 1.0 1.8 3.4 374 374 A 13 ILE HB A 14 ALA H 1.0 1.8 3.4 375 375 A 13 ILE HG2% A 14 ALA H 1.0 1.8 5.0 376 376 A 13 ILE H A 14 ALA H 1.0 1.8 2.8 377 377 A 13 ILE H A 14 ALA H 1.0 1.8 5.0 378 378 A 14 ALA HA A 15 GLY H 1.0 1.8 5.0 379 379 A 14 ALA HA A 15 GLY H 1.0 1.8 5.0 380 380 A 14 ALA HB% A 15 GLY H 1.0 1.8 5.0 381 381 A 14 ALA HB% A 15 GLY H 1.0 1.8 5.0 382 382 A 14 ALA H A 15 GLY H 1.0 1.8 5.0 383 383 A 14 ALA H A 15 GLY H 1.0 1.8 5.0 384 384 A 15 GLY HAx A 16 HIS H 1.0 1.8 5.0 385 385 A 15 GLY HAx A 16 HIS H 1.0 1.8 5.0 386 386 A 15 GLY HAy A 16 HIS H 1.0 1.8 5.0 387 387 A 15 GLY H A 16 HIS H 1.0 1.8 5.0 388 388 A 15 GLY H A 16 HIS H 1.0 1.8 5.0 389 389 A 16 HIS HA A 17 LEU H 1.0 1.8 5.0 390 390 A 16 HIS HBy A 17 LEU H 1.0 1.8 3.4 391 391 A 16 HIS HBy A 17 LEU H 1.0 1.8 5.0 392 392 A 16 HIS H A 17 LEU H 1.0 1.8 2.8 393 393 A 16 HIS H A 17 LEU H 1.0 1.8 3.4 394 394 A 17 LEU HA A 18 ALA H 1.0 1.8 5.0 395 395 A 17 LEU HBx A 18 ALA H 1.0 1.8 3.4 396 396 A 17 LEU HBy A 18 ALA H 1.0 1.8 5.0 397 397 A 17 LEU H A 18 ALA H 1.0 1.8 3.4 398 398 A 17 LEU H A 18 ALA H 1.0 1.8 3.4 399 399 A 18 ALA HB% A 19 SER H 1.0 1.8 5.0 400 400 A 18 ALA HB% A 19 SER H 1.0 1.8 5.0 401 401 A 18 ALA H A 19 SER H 1.0 1.8 5.0 402 402 A 18 ALA H A 19 SER H 1.0 1.8 3.4 403 403 A 19 SER HBx A 20 LYS H 1.0 1.8 5.0 404 404 A 19 SER HBy A 20 LYS H 1.0 1.8 5.0 405 405 A 20 LYS H A 21 VAL HGx% 1.0 1.8 5.0 406 406 A 20 LYS HBx A 21 VAL H 1.0 1.8 3.4 407 407 A 20 LYS HBx A 21 VAL H 1.0 1.8 3.4 408 408 A 20 LYS H A 21 VAL H 1.0 1.8 2.8 409 409 A 20 LYS H A 21 VAL H 1.0 1.8 2.8 410 410 A 21 VAL HGx% A 22 MET H 1.0 1.8 5.0 411 411 A 21 VAL HGy% A 22 MET H 1.0 1.8 5.0 412 412 A 21 VAL H A 22 MET H 1.0 1.8 3.4 413 413 A 21 VAL H A 22 MET H 1.0 1.8 2.8 414 414 A 1 GLY HAx A 3 VAL H 1.0 1.8 5.0 415 415 A 1 GLY HAy A 3 VAL H 1.0 1.8 5.0 416 416 A 2 VAL HA A 4 ASP H 1.0 1.8 5.0 417 417 A 2 VAL HA A 5 ILE HB 1.0 1.8 3.4 418 418 A 2 VAL HA A 5 ILE HB 1.0 1.8 3.4 419 419 A 2 VAL HA A 5 ILE H 1.0 1.8 5.0 420 420 A 2 VAL HA A 6 LEU H 1.0 1.8 5.0 421 421 A 2 VAL HA A 6 LEU H 1.0 1.8 5.0 422 422 A 3 VAL HA A 6 LEU HBx 1.0 1.8 5.0 423 423 A 3 VAL HA A 6 LEU HBx 1.0 1.8 3.4 424 424 A 3 VAL HA A 6 LEU HBy 1.0 1.8 5.0 425 425 A 3 VAL HA A 6 LEU HBy 1.0 1.8 5.0 426 426 A 3 VAL HA A 6 LEU H 1.0 1.8 5.0 427 427 A 3 VAL HA A 6 LEU H 1.0 1.8 5.0 428 428 A 4 ASP HA A 6 LEU H 1.0 1.8 5.0 429 429 A 3 VAL HA A 7 LYS H 1.0 1.8 5.0 430 430 A 3 VAL HA A 7 LYS H 1.0 1.8 5.0 431 431 A 4 ASP HA A 7 LYS HBy 1.0 1.8 5.0 432 432 A 4 ASP HA A 7 LYS HDy 1.0 1.8 5.0 433 433 A 4 ASP HA A 7 LYS H 1.0 1.8 5.0 434 434 A 4 ASP HA A 8 GLY H 1.0 1.8 5.0 435 435 A 6 LEU HBy A 8 GLY H 1.0 1.8 5.0 436 436 A 7 LYS HA A 9 ALA H 1.0 1.8 5.0 437 437 A 7 LYS HA A 9 ALA H 1.0 1.8 5.0 438 438 A 6 LEU HA A 10 ALA H 1.0 1.8 5.0 439 439 A 6 LEU HA A 10 ALA H 1.0 1.8 5.0 440 440 A 7 LYS HA A 10 ALA HB% 1.0 1.8 5.0 441 441 A 7 LYS HA A 10 ALA H 1.0 1.8 5.0 442 442 A 7 LYS HBy A 10 ALA H 1.0 1.8 5.0 443 443 A 7 LYS HA A 11 LYS H 1.0 1.8 5.0 444 444 A 9 ALA H A 11 LYS H 1.0 1.8 5.0 445 445 A 9 ALA HA A 12 ASP HBx 1.0 1.8 5.0 446 446 A 9 ALA HA A 12 ASP HBx 1.0 1.8 5.0 447 447 A 9 ALA HA A 12 ASP HBy 1.0 1.8 5.0 448 448 A 9 ALA HA A 12 ASP HBy 1.0 1.8 5.0 449 449 A 9 ALA HA A 12 ASP H 1.0 1.8 5.0 450 450 A 9 ALA HA A 13 ILE H 1.0 1.8 5.0 451 451 A 11 LYS HA A 13 ILE H 1.0 1.8 5.0 452 452 A 11 LYS HA A 14 ALA H 1.0 1.8 5.0 453 453 A 11 LYS HA A 14 ALA H 1.0 1.8 5.0 454 454 A 12 ASP HA A 14 ALA H 1.0 1.8 5.0 455 455 A 12 ASP HBx A 14 ALA H 1.0 1.8 5.0 456 456 A 12 ASP HBy A 14 ALA H 1.0 1.8 5.0 457 457 A 12 ASP HA A 15 GLY H 1.0 1.8 5.0 458 458 A 13 ILE HA A 16 HIS HBy 1.0 1.8 5.0 459 459 A 13 ILE HA A 16 HIS HBy 1.0 1.8 5.0 460 460 A 13 ILE HA A 16 HIS HD2 1.0 1.8 5.0 461 461 A 13 ILE HA A 16 HIS H 1.0 1.8 5.0 462 462 A 13 ILE HA A 16 HIS H 1.0 1.8 5.0 463 463 A 13 ILE HA A 17 LEU HBx 1.0 1.8 5.0 464 464 A 13 ILE HA A 17 LEU H 1.0 1.8 5.0 465 465 A 13 ILE HA A 17 LEU H 1.0 1.8 5.0 466 466 A 14 ALA HA A 17 LEU HBx 1.0 1.8 5.0 467 467 A 14 ALA HA A 17 LEU HBy 1.0 1.8 3.4 468 468 A 14 ALA HA A 17 LEU H 1.0 1.8 5.0 469 469 A 14 ALA HA A 17 LEU H 1.0 1.8 5.0 470 470 A 15 GLY HAx A 17 LEU H 1.0 1.8 5.0 471 471 A 15 GLY HAx A 17 LEU H 1.0 1.8 5.0 472 472 A 15 GLY H A 17 LEU H 1.0 1.8 3.4 473 473 A 15 GLY H A 17 LEU H 1.0 1.8 3.4 474 474 A 15 GLY HAy A 18 ALA H 1.0 1.8 5.0 475 475 A 16 HIS HBy A 18 ALA H 1.0 1.8 5.0 476 476 A 16 HIS HA A 19 SER H 1.0 1.8 5.0 477 477 A 17 LEU HA A 19 SER H 1.0 1.8 5.0 478 478 A 17 LEU H A 19 SER H 1.0 1.8 5.0 479 479 A 17 LEU HA A 20 LYS HBx 1.0 1.8 5.0 480 480 A 17 LEU HA A 20 LYS HBx 1.0 1.8 5.0 481 481 A 17 LEU HA A 20 LYS H 1.0 1.8 5.0 482 482 A 17 LEU HA A 20 LYS H 1.0 1.8 5.0 483 483 A 18 ALA HA A 22 MET H 1.0 1.8 5.0 484 484 A 19 SER HA A 22 MET H 1.0 1.8 5.0 485 485 A 19 SER HBx A 22 MET H 1.0 1.8 5.0 486 486 A 20 LYS H A 22 MET H 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 GLY C A 2 VAL N A 2 VAL CA A 2 VAL C 1.0 -72.83 -47.59 PHI 2 2 A 2 VAL C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -73.52 -53.38 PHI 3 3 A 3 VAL C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -70.13 -51.49 PHI 4 4 A 4 ASP C A 5 ILE N A 5 ILE CA A 5 ILE C 1.0 -73.93 -57.83 PHI 5 5 A 5 ILE C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -81.79 -53.05 PHI 6 6 A 6 LEU C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -69.28 -50.74 PHI 7 7 A 7 LYS C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 -91.33 -38.35 PHI 8 8 A 8 GLY C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -75.62 -57.16 PHI 9 9 A 9 ALA C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -74.24 -50.12 PHI 10 10 A 10 ALA C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -77.42 -54.22 PHI 11 11 A 11 LYS C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -73.51 -58.21 PHI 12 12 A 12 ASP C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -79.27 -51.55 PHI 13 13 A 13 ILE C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -103.05 -23.05 PHI 14 14 A 14 ALA C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 -102.06 -22.06 PHI 15 15 A 15 GLY C A 16 HIS N A 16 HIS CA A 16 HIS C 1.0 -78.38 -51.60 PHI 16 16 A 16 HIS C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -75.44 -51.42 PHI 17 17 A 17 LEU C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -75.78 -50.70 PHI 18 18 A 18 ALA C A 19 SER N A 19 SER CA A 19 SER C 1.0 -91.96 -46.42 PHI 19 19 A 19 SER C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -89.23 -49.25 PHI 20 20 A 20 LYS C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -126.06 -41.32 PHI 21 21 A 2 VAL N A 2 VAL CA A 2 VAL C A 3 VAL N 1.0 -61.54 -26.70 PSI 22 22 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 ASP N 1.0 -53.69 -27.91 PSI 23 23 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 ILE N 1.0 -56.27 -28.19 PSI 24 24 A 5 ILE N A 5 ILE CA A 5 ILE C A 6 LEU N 1.0 -53.61 -27.43 PSI 25 25 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 LYS N 1.0 -51.37 -30.13 PSI 26 26 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 GLY N 1.0 -84.98 -4.98 PSI 27 27 A 8 GLY N A 8 GLY CA A 8 GLY C A 9 ALA N 1.0 -61.53 -19.93 PSI 28 28 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 ALA N 1.0 -55.54 -31.92 PSI 29 29 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 LYS N 1.0 -49.70 -34.74 PSI 30 30 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 ASP N 1.0 -54.29 -30.75 PSI 31 31 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 ILE N 1.0 -46.17 -27.57 PSI 32 32 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 ALA N 1.0 -55.69 -27.63 PSI 33 33 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 GLY N 1.0 -56.42 -23.42 PSI 34 34 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 HIS N 1.0 -64.37 -22.21 PSI 35 35 A 16 HIS N A 16 HIS CA A 16 HIS C A 17 LEU N 1.0 -48.61 -34.25 PSI 36 36 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 ALA N 1.0 -50.41 -32.77 PSI 37 37 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 SER N 1.0 -56.99 -14.59 PSI 38 38 A 19 SER N A 19 SER CA A 19 SER C A 20 LYS N 1.0 -54.46 -23.10 PSI 39 39 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 VAL N 1.0 -57.45 -9.59 PSI 40 40 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 MET N 1.0 -60.36 1.46 PSI stop_ save_