data_nef_c30211_5u9q 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 5U9Q 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 HAx H 1 4.096 . A 1 GLY HAy H 1 4.096 . A 1 GLY CA C 13 43.542 . A 2 VAL H H 1 8.122 . A 2 VAL HA H 1 3.858 . A 2 VAL HB H 1 2.106 . A 2 VAL HGx% H 1 1.111 . A 2 VAL HGy% H 1 1.032 . A 2 VAL CA C 13 66.290 . A 2 VAL CB C 13 32.058 . A 2 VAL CGy C 13 21.106 . A 2 VAL CGx C 13 20.058 . A 3 VAL H H 1 8.125 . A 3 VAL HA H 1 3.791 . A 3 VAL HB H 1 2.107 . A 3 VAL HGx% H 1 1.075 . A 3 VAL HGy% H 1 0.998 . A 3 VAL CA C 13 66.033 . A 3 VAL CB C 13 31.393 . A 3 VAL CGy C 13 21.783 . A 3 VAL CGx C 13 20.679 . A 3 VAL N N 15 117.872 . A 4 ASP H H 1 7.429 . A 4 ASP HA H 1 4.395 . A 4 ASP HBy H 1 2.836 . A 4 ASP HBx H 1 2.751 . A 4 ASP CA C 13 57.289 . A 4 ASP CB C 13 41.051 . A 4 ASP N N 15 117.326 . A 5 ILE H H 1 7.616 . A 5 ILE HA H 1 3.867 . A 5 ILE HB H 1 2.170 . A 5 ILE HD1% H 1 0.910 . A 5 ILE HG1y H 1 1.732 . A 5 ILE HG1x H 1 1.244 . A 5 ILE HG2% H 1 0.977 . A 5 ILE CA C 13 64.379 . A 5 ILE CB C 13 37.883 . A 5 ILE CD1 C 13 11.933 . A 5 ILE CG1 C 13 28.090 . A 5 ILE CG2 C 13 16.437 . A 5 ILE N N 15 120.417 . A 6 LEU H H 1 8.101 . A 6 LEU HA H 1 4.156 . A 6 LEU HBy H 1 1.945 . A 6 LEU HBx H 1 1.591 . A 6 LEU HDx% H 1 0.922 . A 6 LEU HDy% H 1 0.887 . A 6 LEU HG H 1 1.886 . A 6 LEU CA C 13 58.137 . A 6 LEU CB C 13 41.602 . A 6 LEU CDy C 13 22.559 . A 6 LEU CDx C 13 21.677 . A 6 LEU CG C 13 26.757 . A 6 LEU N N 15 120.320 . A 7 LYS H H 1 8.427 . A 7 LYS HA H 1 4.088 . A 7 LYS HBy H 1 1.977 . A 7 LYS HBx H 1 1.922 . A 7 LYS HDy H 1 1.756 . A 7 LYS HDx H 1 1.739 . A 7 LYS HEx H 1 2.967 . A 7 LYS HEy H 1 3.043 . A 7 LYS HGx H 1 1.476 . A 7 LYS CA C 13 59.575 . A 7 LYS CB C 13 32.658 . A 7 LYS CD C 13 29.740 . A 7 LYS CE C 13 42.228 . A 7 LYS CG C 13 25.458 . A 7 LYS N N 15 117.764 . A 8 GLY H H 1 7.994 . A 8 GLY HAy H 1 3.948 . A 8 GLY HAx H 1 3.921 . A 8 GLY CA C 13 43.564 . A 8 GLY N N 15 106.507 . A 9 ALA H H 1 8.340 . A 9 ALA HA H 1 4.338 . A 9 ALA HB% H 1 1.569 . A 9 ALA CA C 13 54.775 . A 9 ALA CB C 13 17.605 . A 9 ALA N N 15 125.043 . A 10 ALA H H 1 8.197 . A 10 ALA HA H 1 4.126 . A 10 ALA HB% H 1 1.569 . A 10 ALA CA C 13 59.213 . A 10 ALA CB C 13 17.614 . A 10 ALA N N 15 119.743 . A 11 LYS H H 1 7.891 . A 11 LYS HA H 1 4.125 . A 11 LYS HBy H 1 2.017 . A 11 LYS HBx H 1 1.925 . A 11 LYS HDx H 1 1.764 . A 11 LYS HEy H 1 3.040 . A 11 LYS HEx H 1 2.954 . A 11 LYS HGx H 1 1.676 . A 11 LYS CA C 13 59.272 . A 11 LYS CB C 13 32.178 . A 11 LYS CD C 13 29.431 . A 11 LYS CE C 13 42.028 . A 11 LYS CG C 13 24.787 . A 11 LYS N N 15 116.888 . A 12 ASP H H 1 8.044 . A 12 ASP HA H 1 4.635 . A 12 ASP HBy H 1 2.928 . A 12 ASP HBx H 1 2.835 . A 12 ASP CA C 13 56.926 . A 12 ASP CB C 13 40.785 . A 12 ASP N N 15 121.128 . A 13 ILE H H 1 8.480 . A 13 ILE HA H 1 3.834 . A 13 ILE HB H 1 1.987 . A 13 ILE HD1% H 1 0.901 . A 13 ILE HG1y H 1 1.834 . A 13 ILE HG1x H 1 1.162 . A 13 ILE HG2% H 1 0.999 . A 13 ILE CA C 13 65.266 . A 13 ILE CB C 13 38.296 . A 13 ILE CD1 C 13 12.137 . A 13 ILE CG1 C 13 28.916 . A 13 ILE CG2 C 13 16.434 . A 13 ILE N N 15 122.482 . A 14 ALA H H 1 8.403 . A 14 ALA HA H 1 4.124 . A 14 ALA HB% H 1 1.569 . A 14 ALA CA C 13 55.372 . A 14 ALA CB C 13 17.614 . A 14 ALA N N 15 122.009 . A 15 GLY H H 1 8.263 . A 15 GLY HAy H 1 3.976 . A 15 GLY HAx H 1 3.897 . A 15 GLY CA C 13 46.760 . A 15 GLY N N 15 103.563 . A 16 HIS H H 1 8.151 . A 16 HIS HA H 1 4.426 . A 16 HIS HBx H 1 3.350 . A 16 HIS HD2 H 1 7.059 . A 16 HIS CA C 13 59.841 . A 16 HIS CB C 13 29.267 . A 16 HIS N N 15 121.467 . A 17 LEU H H 1 8.618 . A 17 LEU HA H 1 4.131 . A 17 LEU HBy H 1 1.933 . A 17 LEU HBx H 1 1.650 . A 17 LEU HDx% H 1 0.945 . A 17 LEU HDy% H 1 0.924 . A 17 LEU HG H 1 1.878 . A 17 LEU CA C 13 55.374 . A 17 LEU CB C 13 41.680 . A 17 LEU CDx C 13 24.153 . A 17 LEU CDy C 13 24.592 . A 17 LEU CG C 13 26.744 . A 17 LEU N N 15 121.214 . A 18 ALA H H 1 8.535 . A 18 ALA HA H 1 4.098 . A 18 ALA HB% H 1 1.547 . A 18 ALA CA C 13 59.579 . A 18 ALA CB C 13 17.634 . A 18 ALA N N 15 120.603 . A 19 SER H H 1 7.850 . A 19 SER HA H 1 4.233 . A 19 SER HBx H 1 4.052 . A 19 SER CA C 13 61.191 . A 19 SER CB C 13 63.177 . A 19 SER N N 15 110.985 . A 20 LYS H H 1 7.772 . A 20 LYS HA H 1 4.287 . A 20 LYS HBx H 1 2.020 . A 20 LYS HDy H 1 1.761 . A 20 LYS HDx H 1 1.693 . A 20 LYS HEy H 1 3.028 . A 20 LYS HEx H 1 2.946 . A 20 LYS HGx H 1 1.534 . A 20 LYS CA C 13 57.625 . A 20 LYS CB C 13 32.273 . A 20 LYS CD C 13 28.420 . A 20 LYS CE C 13 42.026 . A 20 LYS CG C 13 24.427 . A 20 LYS N N 15 121.357 . A 21 VAL H H 1 7.962 . A 21 VAL HA H 1 3.975 . A 21 VAL HB H 1 2.207 . A 21 VAL HGx% H 1 1.059 . A 21 VAL HGy% H 1 1.007 . A 21 VAL CA C 13 64.619 . A 21 VAL CB C 13 32.452 . A 21 VAL CGx C 13 20.787 . A 21 VAL N N 15 117.392 . A 22 MET H H 1 8.119 . A 22 MET HA H 1 4.431 . A 22 MET HBy H 1 2.183 . A 22 MET HBx H 1 2.131 . A 22 MET HGy H 1 2.698 . A 22 MET HGx H 1 2.600 . A 22 MET CA C 13 55.966 . A 22 MET CB C 13 32.742 . A 22 MET CG C 13 32.274 . A 22 MET N N 15 118.290 . 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 2 VAL HA A 2 VAL HB 1.0 1.8 5.0 2 2 A 2 VAL HA A 2 VAL HGx% 1.0 1.8 5.0 3 3 A 2 VAL HB A 2 VAL HGx% 1.0 1.8 3.4 4 4 A 2 VAL HA A 2 VAL HGy% 1.0 1.8 5.0 5 5 A 2 VAL HA A 2 VAL HGy% 1.0 1.8 5.0 6 6 A 2 VAL HB A 2 VAL HGy% 1.0 1.8 3.4 7 7 A 2 VAL HGx% A 2 VAL H 1.0 1.8 5.0 8 8 A 2 VAL HGy% A 2 VAL H 1.0 1.8 5.0 9 9 A 3 VAL HB A 3 VAL HA 1.0 1.8 5.0 10 10 A 3 VAL HB A 3 VAL HA 1.0 1.8 3.4 11 11 A 3 VAL HA A 3 VAL HGx% 1.0 1.8 5.0 12 12 A 3 VAL HA A 3 VAL HGx% 1.0 1.8 5.0 13 13 A 3 VAL HB A 3 VAL HGx% 1.0 1.8 5.0 14 14 A 3 VAL HB A 3 VAL HGx% 1.0 1.8 3.4 15 15 A 3 VAL HA A 3 VAL HGy% 1.0 1.8 5.0 16 16 A 3 VAL HA A 3 VAL HGy% 1.0 1.8 5.0 17 17 A 3 VAL HB A 3 VAL HGy% 1.0 1.8 5.0 18 18 A 3 VAL HB A 3 VAL HGy% 1.0 1.8 3.4 19 19 A 3 VAL HA A 3 VAL H 1.0 1.8 2.8 20 20 A 3 VAL HB A 3 VAL H 1.0 1.8 2.8 21 21 A 3 VAL HB A 3 VAL H 1.0 1.8 2.8 22 22 A 3 VAL HGx% A 3 VAL H 1.0 1.8 3.4 23 23 A 3 VAL HGx% A 3 VAL H 1.0 1.8 5.0 24 24 A 3 VAL HGy% A 3 VAL H 1.0 1.8 5.0 25 25 A 3 VAL HGy% A 3 VAL H 1.0 1.8 5.0 26 26 A 4 ASP HA A 4 ASP HBx 1.0 1.8 5.0 27 27 A 4 ASP HA A 4 ASP HBx 1.0 1.8 5.0 28 28 A 4 ASP HA A 4 ASP HBy 1.0 1.8 2.8 29 29 A 4 ASP HA A 4 ASP HBy 1.0 1.8 3.4 30 30 A 4 ASP HA A 4 ASP H 1.0 1.8 3.4 31 31 A 4 ASP HA A 4 ASP H 1.0 1.8 5.0 32 32 A 4 ASP HBx A 4 ASP H 1.0 1.8 3.4 33 33 A 4 ASP HBx A 4 ASP H 1.0 1.8 5.0 34 34 A 4 ASP HBy A 4 ASP H 1.0 1.8 3.4 35 35 A 4 ASP HBy A 4 ASP H 1.0 1.8 5.0 36 36 A 5 ILE HB A 5 ILE HA 1.0 1.8 5.0 37 37 A 5 ILE HG1y A 5 ILE HG1x 1.0 1.8 2.8 38 38 A 5 ILE HG1y A 5 ILE HG1x 1.0 1.8 2.8 39 39 A 5 ILE HB A 5 ILE HA 1.0 1.8 2.8 40 40 A 5 ILE HA A 5 ILE HD1% 1.0 1.8 5.0 41 41 A 5 ILE HA A 5 ILE HD1% 1.0 1.8 5.0 42 42 A 5 ILE HB A 5 ILE HD1% 1.0 1.8 5.0 43 43 A 5 ILE HB A 5 ILE HD1% 1.0 1.8 5.0 44 44 A 5 ILE HA A 5 ILE HG1x 1.0 1.8 5.0 45 45 A 5 ILE HA A 5 ILE HG1x 1.0 1.8 3.4 46 46 A 5 ILE HB A 5 ILE HG1x 1.0 1.8 5.0 47 47 A 5 ILE HB A 5 ILE HG1x 1.0 1.8 5.0 48 48 A 5 ILE HG1x A 5 ILE HD1% 1.0 1.8 5.0 49 49 A 5 ILE HG1x A 5 ILE HD1% 1.0 1.8 5.0 50 50 A 5 ILE HA A 5 ILE HG1y 1.0 1.8 5.0 51 51 A 5 ILE HA A 5 ILE HG1y 1.0 1.8 3.4 52 52 A 5 ILE HB A 5 ILE HG1y 1.0 1.8 5.0 53 53 A 5 ILE HB A 5 ILE HG1y 1.0 1.8 5.0 54 54 A 5 ILE HG1y A 5 ILE HD1% 1.0 1.8 5.0 55 55 A 5 ILE HA A 5 ILE HG2% 1.0 1.8 5.0 56 56 A 5 ILE HA A 5 ILE HG2% 1.0 1.8 3.4 57 57 A 5 ILE HB A 5 ILE HG2% 1.0 1.8 3.4 58 58 A 5 ILE HB A 5 ILE HG2% 1.0 1.8 5.0 59 59 A 5 ILE HG1x A 5 ILE HG2% 1.0 1.8 5.0 60 60 A 5 ILE HG1x A 5 ILE HG2% 1.0 1.8 5.0 61 61 A 5 ILE HG1y A 5 ILE HG2% 1.0 1.8 5.0 62 62 A 5 ILE HA A 5 ILE H 1.0 1.8 2.8 63 63 A 5 ILE HA A 5 ILE H 1.0 1.8 5.0 64 64 A 5 ILE HB A 5 ILE H 1.0 1.8 2.8 65 65 A 5 ILE HB A 5 ILE H 1.0 1.8 5.0 66 66 A 5 ILE HD1% A 5 ILE H 1.0 1.8 5.0 67 67 A 5 ILE HD1% A 5 ILE H 1.0 1.8 5.0 68 68 A 5 ILE HG1x A 5 ILE H 1.0 1.8 3.4 69 69 A 5 ILE HG1x A 5 ILE H 1.0 1.8 5.0 70 70 A 5 ILE HG1y A 5 ILE H 1.0 1.8 3.4 71 71 A 5 ILE HG1y A 5 ILE H 1.0 1.8 5.0 72 72 A 5 ILE HG2% A 5 ILE H 1.0 1.8 5.0 73 73 A 5 ILE HG2% A 5 ILE H 1.0 1.8 5.0 74 74 A 6 LEU HDx% A 6 LEU HBy 1.0 1.8 5.0 75 75 A 6 LEU HDy% A 6 LEU HA 1.0 1.8 5.0 76 76 A 6 LEU HDy% A 6 LEU HA 1.0 1.8 5.0 77 77 A 6 LEU HBy A 6 LEU HDy% 1.0 1.8 5.0 78 78 A 6 LEU HA A 6 LEU H 1.0 1.8 2.8 79 79 A 6 LEU HA A 6 LEU H 1.0 1.8 3.4 80 80 A 6 LEU H A 6 LEU HBx 1.0 1.8 3.4 81 81 A 6 LEU H A 6 LEU HBx 1.0 1.8 3.4 82 82 A 6 LEU HBy A 6 LEU H 1.0 1.8 5.0 83 83 A 6 LEU HDx% A 6 LEU H 1.0 1.8 5.0 84 84 A 6 LEU HDy% A 6 LEU H 1.0 1.8 5.0 85 85 A 6 LEU H A 6 LEU HG 1.0 1.8 3.4 86 86 A 6 LEU HBy A 6 LEU HBx 1.0 1.8 2.8 87 87 A 6 LEU HBy A 6 LEU HBx 1.0 1.8 3.4 88 88 A 7 LYS HA A 7 LYS HBx 1.0 1.8 5.0 89 89 A 7 LYS HA A 7 LYS HBy 1.0 1.8 5.0 90 90 A 7 LYS HA A 7 LYS HDx 1.0 1.8 5.0 91 91 A 7 LYS HA A 7 LYS HDx 1.0 1.8 3.4 92 92 A 7 LYS HBy A 7 LYS HDx 1.0 1.8 3.4 93 93 A 7 LYS HBy A 7 LYS HDx 1.0 1.8 3.4 94 94 A 7 LYS HDy A 7 LYS HEx 1.0 1.8 3.4 95 95 A 7 LYS HA A 7 LYS HGx 1.0 1.8 5.0 96 96 A 7 LYS HA A 7 LYS HGx 1.0 1.8 3.4 97 97 A 7 LYS HBy A 7 LYS HGx 1.0 1.8 5.0 98 98 A 7 LYS HBy A 7 LYS HGx 1.0 1.8 5.0 99 99 A 7 LYS HDx A 7 LYS HGx 1.0 1.8 2.8 100 100 A 7 LYS HDx A 7 LYS HGx 1.0 1.8 2.8 101 101 A 7 LYS HEx A 7 LYS HGx 1.0 1.8 5.0 102 102 A 7 LYS HA A 7 LYS H 1.0 1.8 2.8 103 103 A 7 LYS HA A 7 LYS H 1.0 1.8 3.4 104 104 A 7 LYS HBx A 7 LYS H 1.0 1.8 2.8 105 105 A 7 LYS HBx A 7 LYS H 1.0 1.8 2.8 106 106 A 7 LYS HBy A 7 LYS H 1.0 1.8 5.0 107 107 A 7 LYS HBy A 7 LYS H 1.0 1.8 3.4 108 108 A 7 LYS HGx A 7 LYS H 1.0 1.8 5.0 109 109 A 7 LYS HGx A 7 LYS H 1.0 1.8 5.0 110 110 A 8 GLY H A 8 GLY HAx 1.0 1.8 2.8 111 111 A 8 GLY H A 8 GLY HAx 1.0 1.8 2.8 112 112 A 8 GLY H A 8 GLY HAy 1.0 1.8 5.0 113 113 A 8 GLY H A 8 GLY HAy 1.0 1.8 5.0 114 114 A 9 ALA HB% A 9 ALA HA 1.0 1.8 5.0 115 115 A 9 ALA HB% A 9 ALA HA 1.0 1.8 3.4 116 116 A 9 ALA HA A 9 ALA H 1.0 1.8 2.8 117 117 A 9 ALA HA A 9 ALA H 1.0 1.8 2.8 118 118 A 9 ALA HB% A 9 ALA H 1.0 1.8 3.4 119 119 A 9 ALA HB% A 9 ALA H 1.0 1.8 3.4 120 120 A 10 ALA H A 10 ALA HA 1.0 1.8 2.8 121 121 A 10 ALA H A 10 ALA HA 1.0 1.8 3.4 122 122 A 10 ALA H A 10 ALA HB% 1.0 1.8 2.8 123 123 A 10 ALA H A 10 ALA HB% 1.0 1.8 3.4 124 124 A 11 LYS HBx A 11 LYS HA 1.0 1.8 2.8 125 125 A 11 LYS HBx A 11 LYS HA 1.0 1.8 3.4 126 126 A 11 LYS HA A 11 LYS HBy 1.0 1.8 2.8 127 127 A 11 LYS HBx A 11 LYS HDy 1.0 1.8 3.4 128 128 A 11 LYS HBx A 11 LYS HEx 1.0 1.8 5.0 129 129 A 11 LYS HDy A 11 LYS HEx 1.0 1.8 3.4 130 130 A 11 LYS HA A 11 LYS H 1.0 1.8 2.8 131 131 A 11 LYS HA A 11 LYS H 1.0 1.8 2.8 132 132 A 11 LYS HBx A 11 LYS H 1.0 1.8 2.8 133 133 A 11 LYS HBx A 11 LYS H 1.0 1.8 2.8 134 134 A 11 LYS H A 11 LYS HGy 1.0 1.8 5.0 135 135 A 12 ASP HBx A 12 ASP HA 1.0 1.8 5.0 136 136 A 12 ASP HA A 12 ASP HBy 1.0 1.8 5.0 137 137 A 12 ASP HA A 12 ASP HBy 1.0 1.8 2.8 138 138 A 12 ASP HA A 12 ASP H 1.0 1.8 3.4 139 139 A 12 ASP HA A 12 ASP H 1.0 1.8 3.4 140 140 A 12 ASP HBx A 12 ASP H 1.0 1.8 2.8 141 141 A 12 ASP HBx A 12 ASP H 1.0 1.8 5.0 142 142 A 12 ASP HBy A 12 ASP H 1.0 1.8 3.4 143 143 A 12 ASP HBy A 12 ASP H 1.0 1.8 5.0 144 144 A 13 ILE HB A 13 ILE HA 1.0 1.8 5.0 145 145 A 13 ILE HB A 13 ILE HA 1.0 1.8 3.4 146 146 A 13 ILE HB A 13 ILE HD1% 1.0 1.8 5.0 147 147 A 13 ILE HA A 13 ILE HG1x 1.0 1.8 5.0 148 148 A 13 ILE HA A 13 ILE HG1x 1.0 1.8 3.4 149 149 A 13 ILE HD1% A 13 ILE HG1x 1.0 1.8 5.0 150 150 A 13 ILE HD1% A 13 ILE HG1x 1.0 1.8 3.4 151 151 A 13 ILE HA A 13 ILE HG1y 1.0 1.8 3.4 152 152 A 13 ILE HA A 13 ILE HG1y 1.0 1.8 5.0 153 153 A 13 ILE HB A 13 ILE HG1y 1.0 1.8 5.0 154 154 A 13 ILE HB A 13 ILE HG1y 1.0 1.8 5.0 155 155 A 13 ILE HD1% A 13 ILE HG1y 1.0 1.8 5.0 156 156 A 13 ILE HD1% A 13 ILE HG1y 1.0 1.8 5.0 157 157 A 13 ILE HA A 13 ILE HG2% 1.0 1.8 5.0 158 158 A 13 ILE HB A 13 ILE HG2% 1.0 1.8 5.0 159 159 A 13 ILE HB A 13 ILE HG2% 1.0 1.8 3.4 160 160 A 13 ILE HG1x A 13 ILE HG2% 1.0 1.8 5.0 161 161 A 13 ILE HG1y A 13 ILE HG2% 1.0 1.8 5.0 162 162 A 13 ILE HA A 13 ILE H 1.0 1.8 3.4 163 163 A 13 ILE HA A 13 ILE H 1.0 1.8 3.4 164 164 A 13 ILE HB A 13 ILE H 1.0 1.8 2.8 165 165 A 13 ILE HB A 13 ILE H 1.0 1.8 5.0 166 166 A 13 ILE HD1% A 13 ILE H 1.0 1.8 5.0 167 167 A 13 ILE HG1x A 13 ILE H 1.0 1.8 2.8 168 168 A 13 ILE HG1x A 13 ILE H 1.0 1.8 3.4 169 169 A 13 ILE HG2% A 13 ILE H 1.0 1.8 5.0 170 170 A 13 ILE HG2% A 13 ILE H 1.0 1.8 5.0 171 171 A 13 ILE HG1x A 13 ILE HG1y 1.0 1.8 2.8 172 172 A 13 ILE HG1x A 13 ILE HG1y 1.0 1.8 2.8 173 173 A 14 ALA HB% A 14 ALA HA 1.0 1.8 5.0 174 174 A 14 ALA HB% A 14 ALA HA 1.0 1.8 5.0 175 175 A 14 ALA HA A 14 ALA H 1.0 1.8 2.8 176 176 A 14 ALA HA A 14 ALA H 1.0 1.8 2.8 177 177 A 14 ALA HB% A 14 ALA H 1.0 1.8 2.8 178 178 A 14 ALA HB% A 14 ALA H 1.0 1.8 3.4 179 179 A 15 GLY H A 15 GLY HAx 1.0 1.8 2.8 180 180 A 15 GLY H A 15 GLY HAx 1.0 1.8 3.4 181 181 A 15 GLY H A 15 GLY HAy 1.0 1.8 3.4 182 182 A 15 GLY H A 15 GLY HAy 1.0 1.8 3.4 183 183 A 16 HIS HBy A 16 HIS HA 1.0 1.8 5.0 184 184 A 16 HIS HBy A 16 HIS HA 1.0 1.8 2.8 185 185 A 16 HIS HA A 16 HIS HD2 1.0 1.8 5.0 186 186 A 16 HIS HBy A 16 HIS HD2 1.0 1.8 5.0 187 187 A 16 HIS HA A 16 HIS H 1.0 1.8 3.4 188 188 A 16 HIS HA A 16 HIS H 1.0 1.8 5.0 189 189 A 16 HIS HBy A 16 HIS H 1.0 1.8 2.8 190 190 A 16 HIS HBy A 16 HIS H 1.0 1.8 5.0 191 191 A 17 LEU HA A 17 LEU HBx 1.0 1.8 5.0 192 192 A 17 LEU HA A 17 LEU HBy 1.0 1.8 5.0 193 193 A 17 LEU HA A 17 LEU HBy 1.0 1.8 5.0 194 194 A 17 LEU HA A 17 LEU HDx% 1.0 1.8 5.0 195 195 A 17 LEU HBy A 17 LEU HDx% 1.0 1.8 5.0 196 196 A 17 LEU HBy A 17 LEU HDx% 1.0 1.8 5.0 197 197 A 17 LEU HA A 17 LEU HDy% 1.0 3.4 5.0 198 198 A 17 LEU HA A 17 LEU HDy% 1.0 3.4 5.0 199 199 A 17 LEU HBx A 17 LEU HDy% 1.0 1.8 5.0 200 200 A 17 LEU HBy A 17 LEU HDy% 1.0 1.8 5.0 201 201 A 17 LEU HA A 17 LEU HG 1.0 1.8 5.0 202 202 A 17 LEU HDx% A 17 LEU HG 1.0 1.8 3.4 203 203 A 17 LEU HDy% A 17 LEU HG 1.0 1.8 3.4 204 204 A 17 LEU HA A 17 LEU H 1.0 1.8 2.8 205 205 A 17 LEU HA A 17 LEU H 1.0 1.8 2.8 206 206 A 17 LEU HBx A 17 LEU H 1.0 2.4 3.4 207 207 A 17 LEU HBx A 17 LEU H 1.0 1.8 5.0 208 208 A 17 LEU HBy A 17 LEU H 1.0 1.8 3.4 209 209 A 17 LEU HBy A 17 LEU H 1.0 1.8 5.0 210 210 A 17 LEU HDx% A 17 LEU H 1.0 1.8 5.0 211 211 A 17 LEU HDx% A 17 LEU H 1.0 1.8 5.0 212 212 A 17 LEU HDy% A 17 LEU H 1.0 1.8 5.0 213 213 A 17 LEU HDy% A 17 LEU H 1.0 1.8 5.0 214 214 A 17 LEU HG A 17 LEU H 1.0 1.8 3.4 215 215 A 17 LEU HBx A 17 LEU HBy 1.0 1.8 3.4 216 216 A 17 LEU HG A 17 LEU H 1.0 1.8 5.0 217 217 A 18 ALA HB% A 18 ALA HA 1.0 1.8 5.0 218 218 A 18 ALA HA A 18 ALA H 1.0 1.8 5.0 219 219 A 18 ALA HA A 18 ALA H 1.0 1.8 3.4 220 220 A 18 ALA HB% A 18 ALA H 1.0 1.8 2.8 221 221 A 18 ALA HB% A 18 ALA H 1.0 1.8 5.0 222 222 A 19 SER HA A 19 SER HBy 1.0 1.8 3.4 223 223 A 19 SER HA A 19 SER HBy 1.0 1.8 5.0 224 224 A 19 SER HA A 19 SER H 1.0 1.8 2.8 225 225 A 19 SER HA A 19 SER H 1.0 1.8 3.4 226 226 A 19 SER HBy A 19 SER H 1.0 1.8 3.4 227 227 A 19 SER HBy A 19 SER H 1.0 1.8 3.4 228 228 A 20 LYS HBy A 20 LYS HA 1.0 1.8 5.0 229 229 A 20 LYS HBy A 20 LYS HA 1.0 1.8 3.4 230 230 A 20 LYS HBy A 20 LYS HDx 1.0 1.8 3.4 231 231 A 20 LYS HA A 20 LYS HDy 1.0 1.8 5.0 232 232 A 20 LYS HA A 20 LYS HDy 1.0 1.8 5.0 233 233 A 20 LYS HBy A 20 LYS HDy 1.0 1.8 3.4 234 234 A 20 LYS HBy A 20 LYS HDy 1.0 1.8 3.4 235 235 A 20 LYS HDy A 20 LYS HEx 1.0 1.8 5.0 236 236 A 20 LYS HDy A 20 LYS HEy 1.0 1.8 5.0 237 237 A 20 LYS HA A 20 LYS HGy 1.0 1.8 3.4 238 238 A 20 LYS HA A 20 LYS HGy 1.0 1.8 5.0 239 239 A 20 LYS HBy A 20 LYS HGy 1.0 1.8 2.8 240 240 A 20 LYS HBy A 20 LYS HGy 1.0 1.8 2.8 241 241 A 20 LYS HDy A 20 LYS HGy 1.0 1.8 2.8 242 242 A 20 LYS HDy A 20 LYS HGy 1.0 1.8 2.8 243 243 A 20 LYS HA A 20 LYS H 1.0 1.8 3.4 244 244 A 20 LYS HA A 20 LYS H 1.0 1.8 3.4 245 245 A 20 LYS HBy A 20 LYS H 1.0 1.8 2.8 246 246 A 20 LYS HBy A 20 LYS H 1.0 1.8 3.4 247 247 A 20 LYS HGy A 20 LYS H 1.0 1.8 3.4 248 248 A 20 LYS HGy A 20 LYS H 1.0 1.8 5.0 249 249 A 21 VAL HB A 21 VAL HA 1.0 1.8 5.0 250 250 A 21 VAL HB A 21 VAL HA 1.0 1.8 2.8 251 251 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 5.0 252 252 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 5.0 253 253 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 5.0 254 254 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 3.4 255 255 A 21 VAL HA A 21 VAL HGy% 1.0 1.8 5.0 256 256 A 21 VAL HA A 21 VAL HGy% 1.0 1.8 5.0 257 257 A 21 VAL HB A 21 VAL HGy% 1.0 1.8 5.0 258 258 A 21 VAL HB A 21 VAL HGy% 1.0 1.8 5.0 259 259 A 21 VAL HA A 21 VAL H 1.0 1.8 2.8 260 260 A 21 VAL HA A 21 VAL H 1.0 1.8 3.4 261 261 A 21 VAL HB A 21 VAL H 1.0 1.8 3.4 262 262 A 21 VAL HB A 21 VAL H 1.0 1.8 3.4 263 263 A 21 VAL HGx% A 21 VAL H 1.0 1.8 5.0 264 264 A 21 VAL HGx% A 21 VAL H 1.0 1.8 5.0 265 265 A 21 VAL HGy% A 21 VAL H 1.0 1.8 5.0 266 266 A 21 VAL HGy% A 21 VAL H 1.0 1.8 5.0 267 267 A 22 MET HBx A 22 MET HA 1.0 1.8 5.0 268 268 A 22 MET HA A 22 MET HBy 1.0 1.8 5.0 269 269 A 22 MET HA A 22 MET HGx 1.0 1.8 5.0 270 270 A 22 MET HA A 22 MET HGx 1.0 1.8 5.0 271 271 A 22 MET HBx A 22 MET HGx 1.0 1.8 3.4 272 272 A 22 MET HBy A 22 MET HGx 1.0 1.8 3.4 273 273 A 22 MET HA A 22 MET HGy 1.0 1.8 5.0 274 274 A 22 MET HA A 22 MET HGy 1.0 1.8 5.0 275 275 A 22 MET HBx A 22 MET HGy 1.0 1.8 5.0 276 276 A 22 MET HBy A 22 MET HGy 1.0 1.8 3.4 277 277 A 22 MET HA A 22 MET H 1.0 1.8 3.4 278 278 A 22 MET HA A 22 MET H 1.0 1.8 5.0 279 279 A 22 MET HBx A 22 MET H 1.0 1.8 5.0 280 280 A 22 MET HBx A 22 MET H 1.0 1.8 3.4 281 281 A 22 MET HBy A 22 MET H 1.0 1.8 5.0 282 282 A 22 MET HGx A 22 MET H 1.0 1.8 5.0 283 283 A 22 MET HGy A 22 MET H 1.0 1.8 5.0 284 284 A 2 VAL HA A 3 VAL H 1.0 1.8 5.0 285 285 A 3 VAL HA A 4 ASP H 1.0 1.8 5.0 286 286 A 3 VAL HA A 4 ASP H 1.0 1.8 5.0 287 287 A 3 VAL HB A 4 ASP H 1.0 1.8 5.0 288 288 A 3 VAL HB A 4 ASP H 1.0 1.8 5.0 289 289 A 3 VAL HGx% A 4 ASP H 1.0 1.8 5.0 290 290 A 3 VAL HGx% A 4 ASP H 1.0 1.8 5.0 291 291 A 3 VAL HGy% A 4 ASP H 1.0 1.8 5.0 292 292 A 3 VAL HGy% A 4 ASP H 1.0 1.8 5.0 293 293 A 3 VAL H A 4 ASP H 1.0 1.8 2.8 294 294 A 3 VAL H A 4 ASP H 1.0 1.8 2.8 295 295 A 4 ASP HA A 5 ILE H 1.0 1.8 5.0 296 296 A 4 ASP HA A 5 ILE H 1.0 1.8 5.0 297 297 A 4 ASP HBx A 5 ILE H 1.0 1.8 3.4 298 298 A 4 ASP HBx A 5 ILE H 1.0 1.8 5.0 299 299 A 4 ASP HBy A 5 ILE H 1.0 1.8 5.0 300 300 A 4 ASP HBy A 5 ILE H 1.0 1.8 5.0 301 301 A 4 ASP H A 5 ILE H 1.0 1.8 2.8 302 302 A 4 ASP H A 5 ILE H 1.0 1.8 2.8 303 303 A 5 ILE HA A 6 LEU H 1.0 1.8 3.4 304 304 A 5 ILE HA A 6 LEU H 1.0 1.8 3.4 305 305 A 5 ILE HB A 6 LEU H 1.0 1.8 2.8 306 306 A 5 ILE HB A 6 LEU H 1.0 1.8 3.4 307 307 A 5 ILE HD1% A 6 LEU H 1.0 1.8 5.0 308 308 A 5 ILE HG1y A 6 LEU H 1.0 1.8 5.0 309 309 A 5 ILE HG2% A 6 LEU H 1.0 1.8 5.0 310 310 A 5 ILE HG2% A 6 LEU H 1.0 1.8 5.0 311 311 A 5 ILE H A 6 LEU H 1.0 1.8 2.8 312 312 A 5 ILE H A 6 LEU H 1.0 1.8 2.8 313 313 A 6 LEU HA A 7 LYS H 1.0 1.8 5.0 314 314 A 6 LEU HBy A 7 LYS H 1.0 1.8 5.0 315 315 A 6 LEU H A 7 LYS H 1.0 1.8 2.8 316 316 A 6 LEU H A 7 LYS H 1.0 1.8 2.8 317 317 A 7 LYS HA A 8 GLY H 1.0 1.8 5.0 318 318 A 7 LYS HBx A 8 GLY H 1.0 1.8 3.4 319 319 A 7 LYS HBy A 8 GLY H 1.0 1.8 5.0 320 320 A 7 LYS H A 8 GLY H 1.0 1.8 2.8 321 321 A 7 LYS H A 8 GLY H 1.0 1.8 2.8 322 322 A 8 GLY HAx A 9 ALA H 1.0 1.8 3.4 323 323 A 8 GLY HAx A 9 ALA H 1.0 1.8 3.4 324 324 A 8 GLY H A 9 ALA H 1.0 1.8 2.8 325 325 A 8 GLY H A 9 ALA H 1.0 1.8 2.8 326 326 A 9 ALA HA A 10 ALA H 1.0 1.8 5.0 327 327 A 9 ALA HA A 10 ALA H 1.0 1.8 5.0 328 328 A 9 ALA H A 10 ALA H 1.0 1.8 2.8 329 329 A 9 ALA H A 10 ALA H 1.0 1.8 2.8 330 330 A 10 ALA HB% A 11 LYS H 1.0 1.8 3.4 331 331 A 10 ALA HB% A 11 LYS H 1.0 1.8 5.0 332 332 A 10 ALA H A 11 LYS H 1.0 1.8 2.8 333 333 A 10 ALA H A 11 LYS H 1.0 1.8 2.8 334 334 A 11 LYS HA A 12 ASP H 1.0 1.8 3.4 335 335 A 11 LYS HA A 12 ASP H 1.0 1.8 5.0 336 336 A 11 LYS HBx A 12 ASP H 1.0 1.8 3.4 337 337 A 11 LYS HBx A 12 ASP H 1.0 1.8 3.4 338 338 A 11 LYS H A 12 ASP H 1.0 1.8 2.8 339 339 A 11 LYS H A 12 ASP H 1.0 1.8 2.8 340 340 A 12 ASP HA A 13 ILE H 1.0 1.8 5.0 341 341 A 12 ASP HA A 13 ILE H 1.0 1.8 5.0 342 342 A 12 ASP HBx A 13 ILE H 1.0 1.8 3.4 343 343 A 12 ASP HBx A 13 ILE H 1.0 1.8 5.0 344 344 A 12 ASP HBy A 13 ILE H 1.0 1.8 5.0 345 345 A 12 ASP HBy A 13 ILE H 1.0 1.8 5.0 346 346 A 12 ASP H A 13 ILE H 1.0 1.8 2.8 347 347 A 12 ASP H A 13 ILE H 1.0 1.8 2.8 348 348 A 13 ILE HA A 14 ALA H 1.0 1.8 5.0 349 349 A 13 ILE HA A 14 ALA H 1.0 1.8 5.0 350 350 A 13 ILE HB A 14 ALA H 1.0 1.8 2.8 351 351 A 13 ILE HG1x A 14 ALA H 1.0 1.8 5.0 352 352 A 13 ILE HG2% A 14 ALA H 1.0 1.8 5.0 353 353 A 13 ILE HG2% A 14 ALA H 1.0 1.8 5.0 354 354 A 13 ILE H A 14 ALA H 1.0 1.8 2.8 355 355 A 13 ILE H A 14 ALA H 1.0 1.8 2.8 356 356 A 14 ALA HA A 15 GLY H 1.0 1.8 3.4 357 357 A 14 ALA HA A 15 GLY H 1.0 1.8 5.0 358 358 A 14 ALA HB% A 15 GLY H 1.0 1.8 5.0 359 359 A 14 ALA H A 15 GLY H 1.0 1.8 2.8 360 360 A 14 ALA H A 15 GLY H 1.0 1.8 2.8 361 361 A 15 GLY H A 16 HIS HBy 1.0 1.8 5.0 362 362 A 15 GLY HAx A 16 HIS H 1.0 1.8 3.4 363 363 A 15 GLY H A 16 HIS H 1.0 1.8 3.4 364 364 A 15 GLY H A 16 HIS H 1.0 1.8 3.4 365 365 A 16 HIS HA A 17 LEU H 1.0 1.8 5.0 366 366 A 16 HIS HA A 17 LEU H 1.0 1.8 5.0 367 367 A 16 HIS HBy A 17 LEU H 1.0 1.8 5.0 368 368 A 17 LEU H A 16 HIS HBx 1.0 1.8 5.0 369 369 A 16 HIS H A 17 LEU H 1.0 1.8 3.4 370 370 A 16 HIS H A 17 LEU H 1.0 1.8 2.8 371 371 A 17 LEU HA A 18 ALA H 1.0 1.8 3.4 372 372 A 17 LEU HA A 18 ALA H 1.0 1.8 3.4 373 373 A 17 LEU HBx A 18 ALA H 1.0 1.8 3.4 374 374 A 17 LEU HBx A 18 ALA H 1.0 1.8 5.0 375 375 A 17 LEU HBy A 18 ALA H 1.0 1.8 3.4 376 376 A 17 LEU HBy A 18 ALA H 1.0 1.8 5.0 377 377 A 17 LEU HG A 18 ALA H 1.0 1.8 5.0 378 378 A 17 LEU H A 18 ALA H 1.0 1.8 2.8 379 379 A 17 LEU H A 18 ALA H 1.0 1.8 2.8 380 380 A 18 ALA H A 19 SER HA 1.0 1.8 5.0 381 381 A 18 ALA HA A 19 SER H 1.0 1.8 3.4 382 382 A 18 ALA HB% A 19 SER H 1.0 1.8 5.0 383 383 A 18 ALA HB% A 19 SER H 1.0 1.8 5.0 384 384 A 18 ALA H A 19 SER H 1.0 1.8 2.8 385 385 A 18 ALA H A 19 SER H 1.0 1.8 2.8 386 386 A 19 SER HA A 20 LYS H 1.0 1.8 5.0 387 387 A 19 SER HA A 20 LYS H 1.0 1.8 5.0 388 388 A 19 SER HBy A 20 LYS H 1.0 1.8 5.0 389 389 A 19 SER HBy A 20 LYS H 1.0 1.8 5.0 390 390 A 19 SER H A 20 LYS H 1.0 1.8 2.8 391 391 A 19 SER H A 20 LYS H 1.0 1.8 2.8 392 392 A 20 LYS HA A 21 VAL H 1.0 1.8 5.0 393 393 A 20 LYS HA A 21 VAL H 1.0 1.8 5.0 394 394 A 20 LYS HBy A 21 VAL H 1.0 1.8 3.4 395 395 A 20 LYS HBy A 21 VAL H 1.0 1.8 5.0 396 396 A 20 LYS H A 21 VAL H 1.0 1.8 2.8 397 397 A 20 LYS H A 21 VAL H 1.0 1.8 2.8 398 398 A 21 VAL HA A 22 MET H 1.0 1.8 3.4 399 399 A 21 VAL H A 22 MET H 1.0 1.8 2.8 400 400 A 21 VAL H A 22 MET H 1.0 1.8 2.8 401 401 A 2 VAL HA A 4 ASP H 1.0 1.8 5.0 402 402 A 3 VAL HA A 5 ILE H 1.0 1.8 5.0 403 403 A 3 VAL H A 5 ILE H 1.0 1.8 5.0 404 404 A 3 VAL HA A 6 LEU HBx 1.0 3.4 5.0 405 405 A 3 VAL HA A 6 LEU HBy 1.0 1.8 5.0 406 406 A 3 VAL HA A 6 LEU HBy 1.0 1.8 5.0 407 407 A 3 VAL HA A 6 LEU H 1.0 1.8 3.4 408 408 A 4 ASP H A 6 LEU H 1.0 1.8 5.0 409 409 A 3 VAL HA A 7 LYS H 1.0 1.8 5.0 410 410 A 3 VAL HA A 7 LYS H 1.0 1.8 5.0 411 411 A 4 ASP HA A 7 LYS HBx 1.0 1.8 5.0 412 412 A 4 ASP HA A 7 LYS HBy 1.0 1.8 5.0 413 413 A 4 ASP HA A 7 LYS H 1.0 1.8 5.0 414 414 A 4 ASP HA A 7 LYS H 1.0 1.8 5.0 415 415 A 5 ILE HA A 7 LYS H 1.0 1.8 5.0 416 416 A 4 ASP HA A 8 GLY H 1.0 1.8 5.0 417 417 A 4 ASP HA A 8 GLY H 1.0 1.8 5.0 418 418 A 5 ILE HA A 8 GLY H 1.0 1.8 3.4 419 419 A 5 ILE HA A 9 ALA H 1.0 1.8 5.0 420 420 A 5 ILE HA A 9 ALA H 1.0 1.8 5.0 421 421 A 6 LEU HA A 9 ALA H 1.0 1.8 5.0 422 422 A 6 LEU HA A 9 ALA H 1.0 1.8 5.0 423 423 A 7 LYS HA A 9 ALA H 1.0 1.8 5.0 424 424 A 7 LYS HA A 10 ALA H 1.0 1.8 5.0 425 425 A 7 LYS HA A 10 ALA H 1.0 1.8 5.0 426 426 A 9 ALA HA A 11 LYS H 1.0 1.8 5.0 427 427 A 9 ALA HA A 11 LYS H 1.0 1.8 5.0 428 428 A 9 ALA HA A 12 ASP HBx 1.0 1.8 5.0 429 429 A 9 ALA HA A 12 ASP HBx 1.0 1.8 3.4 430 430 A 9 ALA HA A 12 ASP HBy 1.0 1.8 5.0 431 431 A 9 ALA HA A 12 ASP HBy 1.0 1.8 5.0 432 432 A 9 ALA HA A 12 ASP H 1.0 1.8 5.0 433 433 A 9 ALA HA A 12 ASP H 1.0 1.8 5.0 434 434 A 9 ALA HA A 13 ILE H 1.0 1.8 5.0 435 435 A 9 ALA HA A 13 ILE H 1.0 1.8 5.0 436 436 A 11 LYS HA A 13 ILE H 1.0 1.8 3.4 437 437 A 11 LYS HA A 13 ILE H 1.0 1.8 5.0 438 438 A 12 ASP HA A 14 ALA H 1.0 1.8 5.0 439 439 A 12 ASP HA A 15 GLY H 1.0 1.8 5.0 440 440 A 12 ASP HA A 15 GLY H 1.0 1.8 5.0 441 441 A 13 ILE HA A 15 GLY H 1.0 1.8 5.0 442 442 A 13 ILE HA A 16 HIS HBy 1.0 1.8 5.0 443 443 A 13 ILE HA A 16 HIS HBy 1.0 1.8 3.4 444 444 A 13 ILE HA A 16 HIS HD2 1.0 1.8 5.0 445 445 A 13 ILE HA A 16 HIS H 1.0 1.8 5.0 446 446 A 13 ILE HA A 16 HIS H 1.0 1.8 5.0 447 447 A 14 ALA HA A 16 HIS H 1.0 1.8 5.0 448 448 A 13 ILE HA A 17 LEU H 1.0 1.8 5.0 449 449 A 13 ILE HA A 17 LEU H 1.0 1.8 5.0 450 450 A 16 HIS HA A 19 SER H 1.0 1.8 5.0 451 451 A 16 HIS HA A 19 SER H 1.0 1.8 5.0 452 452 A 17 LEU HA A 20 LYS H 1.0 1.8 5.0 453 453 A 17 LEU HA A 20 LYS H 1.0 1.8 5.0 454 454 A 18 ALA HA A 20 LYS H 1.0 1.8 5.0 455 455 A 18 ALA HA A 21 VAL HB 1.0 1.8 5.0 456 456 A 18 ALA HA A 21 VAL HB 1.0 1.8 5.0 457 457 A 18 ALA HA A 21 VAL HGx% 1.0 1.8 5.0 458 458 A 18 ALA HA A 21 VAL H 1.0 1.8 5.0 459 459 A 18 ALA HA A 21 VAL H 1.0 1.8 5.0 460 460 A 19 SER HA A 21 VAL H 1.0 1.8 5.0 461 461 A 18 ALA HA A 22 MET H 1.0 1.8 5.0 462 462 A 18 ALA HA A 22 MET H 1.0 1.8 5.0 463 463 A 19 SER HA A 22 MET H 1.0 1.8 5.0 464 464 A 19 SER HA 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 -73.29 -43.15 PHI 2 2 A 2 VAL C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -73.20 -51.40 PHI 3 3 A 3 VAL C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -70.75 -50.99 PHI 4 4 A 4 ASP C A 5 ILE N A 5 ILE CA A 5 ILE C 1.0 -85.56 -48.50 PHI 5 5 A 5 ILE C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -75.10 -55.34 PHI 6 6 A 6 LEU C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -77.91 -51.03 PHI 7 7 A 8 GLY C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -72.96 -39.70 PHI 8 8 A 9 ALA C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -74.43 -52.15 PHI 9 9 A 10 ALA C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -78.41 -48.75 PHI 10 10 A 11 LYS C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -71.47 -58.51 PHI 11 11 A 12 ASP C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -89.66 -48.52 PHI 12 12 A 13 ILE C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -71.56 -47.66 PHI 13 13 A 14 ALA C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 -74.37 -50.83 PHI 14 14 A 15 GLY C A 16 HIS N A 16 HIS CA A 16 HIS C 1.0 -70.99 -55.39 PHI 15 15 A 16 HIS C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -77.44 -54.38 PHI 16 16 A 17 LEU C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -64.88 -56.38 PHI 17 17 A 18 ALA C A 19 SER N A 19 SER CA A 19 SER C 1.0 -75.19 -52.87 PHI 18 18 A 19 SER C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -78.16 -54.52 PHI 19 19 A 20 LYS C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -114.82 -35.50 PHI 20 20 A 2 VAL N A 2 VAL CA A 2 VAL C A 3 VAL N 1.0 -65.17 -29.51 PSI 21 21 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 ASP N 1.0 -60.12 -28.58 PSI 22 22 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 ILE N 1.0 -52.41 -30.61 PSI 23 23 A 5 ILE N A 5 ILE CA A 5 ILE C A 6 LEU N 1.0 -55.60 -32.04 PSI 24 24 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 LYS N 1.0 -55.66 -18.16 PSI 25 25 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 GLY N 1.0 -62.53 -17.31 PSI 26 26 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 ALA N 1.0 -57.95 -22.35 PSI 27 27 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 LYS N 1.0 -54.57 -31.43 PSI 28 28 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 ASP N 1.0 -59.77 -25.69 PSI 29 29 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 ILE N 1.0 -54.38 -28.42 PSI 30 30 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 ALA N 1.0 -56.33 -20.35 PSI 31 31 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 GLY N 1.0 -63.20 -25.20 PSI 32 32 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 HIS N 1.0 -60.65 -28.23 PSI 33 33 A 16 HIS N A 16 HIS CA A 16 HIS C A 17 LEU N 1.0 -51.69 -35.35 PSI 34 34 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 ALA N 1.0 -60.14 -18.52 PSI 35 35 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 SER N 1.0 -48.48 -33.70 PSI 36 36 A 19 SER N A 19 SER CA A 19 SER C A 20 LYS N 1.0 -52.34 -31.48 PSI 37 37 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 VAL N 1.0 -50.64 -4.96 PSI 38 38 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 MET N 1.0 -56.32 -11.90 PSI stop_ save_