data_nef_c30215_5u9x 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 30216 BMRB 30217 BMRB 30218 BMRB 30219 PDB 5U9X 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 23 ASN C 1 24 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 . . 23 A 23 ASN middle -OXT . 24 A 24 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 4.097 . A 1 GLY HAx H 1 3.975 . A 1 GLY CA C 13 42.746 . A 2 VAL H H 1 9.501 . A 2 VAL HA H 1 3.661 . A 2 VAL HB H 1 2.152 . A 2 VAL HGx% H 1 1.098 . A 2 VAL HGy% H 1 0.964 . A 2 VAL CA C 13 66.075 . A 2 VAL CB C 13 31.243 . A 2 VAL CGy C 13 22.200 . A 2 VAL CGx C 13 21.349 . A 3 VAL H H 1 8.891 . A 3 VAL HA H 1 3.527 . A 3 VAL HB H 1 2.093 . A 3 VAL HGx% H 1 1.066 . A 3 VAL HGy% H 1 0.959 . A 3 VAL CA C 13 67.043 . A 3 VAL CB C 13 30.273 . A 3 VAL CGy C 13 23.400 . A 3 VAL CGx C 13 20.443 . A 3 VAL N N 15 119.598 . A 4 ASP H H 1 7.682 . A 4 ASP HA H 1 4.320 . A 4 ASP HBy H 1 2.754 . A 4 ASP HBx H 1 2.694 . A 4 ASP CA C 13 56.939 . A 4 ASP CB C 13 40.059 . A 4 ASP N N 15 118.205 . A 5 ILE H H 1 7.801 . A 5 ILE HA H 1 3.828 . A 5 ILE HB H 1 2.061 . A 5 ILE HD1% H 1 0.846 . A 5 ILE HG1y H 1 1.733 . A 5 ILE HG1x H 1 1.238 . A 5 ILE HG2% H 1 0.909 . A 5 ILE CA C 13 63.631 . A 5 ILE CB C 13 37.118 . A 5 ILE CD1 C 13 12.402 . A 5 ILE CG1 C 13 25.864 . A 5 ILE CG2 C 13 16.960 . A 5 ILE N N 15 121.420 . A 6 LEU H H 1 8.311 . A 6 LEU HA H 1 4.019 . A 6 LEU HBy H 1 1.962 . A 6 LEU HBx H 1 1.465 . A 6 LEU HDx% H 1 0.910 . A 6 LEU HDy% H 1 0.815 . A 6 LEU HG H 1 1.925 . A 6 LEU CA C 13 57.435 . A 6 LEU CB C 13 41.107 . A 6 LEU CDy C 13 24.932 . A 6 LEU CDx C 13 22.571 . A 6 LEU CG C 13 25.984 . A 6 LEU N N 15 120.319 . A 7 LYS H H 1 8.664 . A 7 LYS HA H 1 3.845 . A 7 LYS HBy H 1 1.944 . A 7 LYS HBx H 1 1.869 . A 7 LYS HDx H 1 1.724 . A 7 LYS HEy H 1 2.836 . A 7 LYS HEx H 1 2.804 . A 7 LYS HGy H 1 1.480 . A 7 LYS HGx H 1 1.277 . A 7 LYS CA C 13 60.084 . A 7 LYS CB C 13 32.105 . A 7 LYS CD C 13 28.767 . A 7 LYS CE C 13 41.258 . A 7 LYS N N 15 118.007 . A 8 GLY H H 1 8.013 . A 8 GLY HAy H 1 3.924 . A 8 GLY HAx H 1 3.842 . A 8 GLY CA C 13 46.435 . A 9 ALA H H 1 8.343 . A 9 ALA HA H 1 4.236 . A 9 ALA HB% H 1 1.497 . A 9 ALA CA C 13 54.063 . A 9 ALA CB C 13 17.770 . A 10 ALA H H 1 8.451 . A 10 ALA HA H 1 3.931 . A 10 ALA HB% H 1 1.501 . A 10 ALA CA C 13 54.913 . A 10 ALA CB C 13 17.539 . A 10 ALA N N 15 119.817 . A 11 LYS H H 1 8.115 . A 11 LYS HA H 1 3.901 . A 11 LYS HBx H 1 1.955 . A 11 LYS HDx H 1 1.725 . A 11 LYS HEx H 1 2.927 . A 11 LYS HGy H 1 1.642 . A 11 LYS HGx H 1 1.418 . A 11 LYS CA C 13 59.397 . A 11 LYS CB C 13 31.428 . A 11 LYS CD C 13 29.416 . A 11 LYS CE C 13 41.313 . A 11 LYS CG C 13 25.067 . A 11 LYS N N 15 118.049 . A 12 ASP H H 1 8.076 . A 12 ASP HA H 1 4.496 . A 12 ASP HBy H 1 3.035 . A 12 ASP HBx H 1 2.861 . A 12 ASP CA C 13 55.522 . A 12 ASP CB C 13 38.059 . A 12 ASP N N 15 119.805 . A 13 ILE H H 1 8.548 . A 13 ILE HA H 1 3.698 . A 13 ILE HB H 1 1.962 . A 13 ILE HD1% H 1 0.823 . A 13 ILE HG1x H 1 1.844 . A 13 ILE HG2% H 1 0.907 . A 13 ILE CA C 13 64.734 . A 13 ILE CB C 13 37.547 . A 13 ILE CD1 C 13 13.006 . A 13 ILE CG1 C 13 26.267 . A 13 ILE CG2 C 13 16.960 . A 14 ALA H H 1 8.582 . A 14 ALA HA H 1 3.974 . A 14 ALA HB% H 1 1.514 . A 14 ALA CA C 13 54.920 . A 14 ALA CB C 13 18.011 . A 14 ALA N N 15 122.018 . A 15 GLY H H 1 8.278 . A 15 GLY HAy H 1 4.022 . A 15 GLY HAx H 1 3.849 . A 15 GLY CA C 13 46.411 . A 16 HIS H H 1 7.944 . A 16 HIS HA H 1 4.536 . A 16 HIS HBx H 1 3.314 . A 16 HIS HD2 H 1 7.244 . A 16 HIS CA C 13 57.550 . A 16 HIS CB C 13 28.047 . A 16 HIS N N 15 118.999 . A 17 LEU H H 1 8.264 . A 17 LEU HA H 1 4.150 . A 17 LEU HBy H 1 1.845 . A 17 LEU HBx H 1 1.575 . A 17 LEU HDx% H 1 0.884 . A 17 LEU HDy% H 1 0.868 . A 17 LEU CA C 13 56.428 . A 17 LEU CB C 13 41.530 . A 17 LEU CDy C 13 24.927 . A 17 LEU CDx C 13 22.874 . A 17 LEU N N 15 119.408 . A 18 ALA H H 1 8.376 . A 18 ALA HA H 1 4.030 . A 18 ALA HB% H 1 1.490 . A 18 ALA CA C 13 54.239 . A 18 ALA CB C 13 18.027 . A 18 ALA N N 15 120.854 . A 19 SER H H 1 7.946 . A 19 SER HA H 1 4.208 . A 19 SER HBy H 1 3.942 . A 19 SER HBx H 1 3.925 . A 19 SER CA C 13 60.030 . A 19 SER CB C 13 62.419 . A 19 SER N N 15 111.882 . A 20 LYS H H 1 7.840 . A 20 LYS HA H 1 4.220 . A 20 LYS HBx H 1 1.915 . A 20 LYS HDx H 1 1.671 . A 20 LYS HEx H 1 2.918 . A 20 LYS HGx H 1 1.455 . A 20 LYS CA C 13 56.878 . A 20 LYS CB C 13 31.941 . A 20 LYS CD C 13 28.155 . A 20 LYS CE C 13 41.313 . A 20 LYS CG C 13 24.094 . A 20 LYS N N 15 120.580 . A 21 VAL H H 1 7.861 . A 21 VAL HA H 1 3.934 . A 21 VAL HB H 1 2.138 . A 21 VAL HGx% H 1 0.990 . A 21 VAL HGy% H 1 0.929 . A 21 VAL CA C 13 63.427 . A 21 VAL CB C 13 31.752 . A 21 VAL CGy C 13 21.115 . A 21 VAL CGx C 13 20.931 . A 21 VAL N N 15 116.385 . A 22 MET H H 1 8.137 . A 22 MET HA H 1 4.365 . A 22 MET HBy H 1 2.639 . A 22 MET HBx H 1 2.543 . A 22 MET HGy H 1 2.108 . A 22 MET HGx H 1 2.028 . A 22 MET CA C 13 55.671 . A 22 MET CB C 13 31.662 . A 22 MET CG C 13 32.031 . A 23 ASN H H 1 8.119 . A 23 ASN HA H 1 4.642 . A 23 ASN HBy H 1 2.820 . A 23 ASN HBx H 1 2.769 . A 23 ASN HD2y H 1 7.619 . A 23 ASN HD2x H 1 6.934 . A 23 ASN CB C 13 38.569 . A 23 ASN N N 15 117.168 . A 23 ASN ND2 N 15 113.011 . 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 3.4 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 2.8 5 5 A 2 VAL HA A 2 VAL HGx% 1.0 1.8 3.4 6 6 A 2 VAL HA A 2 VAL HGx% 1.0 1.8 5.5 7 7 A 2 VAL HB A 2 VAL HGx% 1.0 1.8 5.5 8 8 A 2 VAL HB A 2 VAL HGx% 1.0 1.8 3.4 9 9 A 2 VAL HA A 2 VAL HGy% 1.0 1.8 5.5 10 10 A 2 VAL HA A 2 VAL HGy% 1.0 1.8 5.5 11 11 A 2 VAL HB A 2 VAL HGy% 1.0 1.8 3.4 12 12 A 2 VAL HA A 2 VAL H 1.0 1.8 5.5 13 13 A 2 VAL HA A 2 VAL H 1.0 1.8 3.4 14 14 A 2 VAL HB A 2 VAL H 1.0 1.8 5.5 15 15 A 2 VAL HB A 2 VAL H 1.0 1.8 3.4 16 16 A 2 VAL HGx% A 2 VAL H 1.0 1.8 5.5 17 17 A 2 VAL HGy% A 2 VAL H 1.0 1.8 5.5 18 18 A 3 VAL HA A 3 VAL HB 1.0 1.8 3.4 19 19 A 3 VAL HA A 3 VAL HB 1.0 1.8 3.4 20 20 A 3 VAL HA A 3 VAL HGx% 1.0 1.8 3.4 21 21 A 3 VAL HA A 3 VAL HGx% 1.0 1.8 5.5 22 22 A 3 VAL HB A 3 VAL HGx% 1.0 1.8 3.4 23 23 A 3 VAL HA A 3 VAL HGy% 1.0 1.8 3.4 24 24 A 3 VAL HA A 3 VAL HGy% 1.0 1.8 5.5 25 25 A 3 VAL HB A 3 VAL HGy% 1.0 1.8 5.5 26 26 A 3 VAL HGx% A 3 VAL HGy% 1.0 1.8 3.4 27 27 A 3 VAL HA A 3 VAL H 1.0 1.8 5.5 28 28 A 3 VAL HA A 3 VAL H 1.0 1.8 3.4 29 29 A 3 VAL HB A 3 VAL H 1.0 1.8 2.8 30 30 A 3 VAL HB A 3 VAL H 1.0 1.8 2.8 31 31 A 3 VAL HGx% A 3 VAL H 1.0 1.8 5.5 32 32 A 3 VAL HGx% A 3 VAL H 1.0 1.8 5.5 33 33 A 3 VAL HGy% A 3 VAL H 1.0 1.8 5.5 34 34 A 3 VAL HGy% A 3 VAL H 1.0 1.8 5.5 35 35 A 4 ASP HBx A 4 ASP HA 1.0 1.8 3.4 36 36 A 4 ASP HBx A 4 ASP HA 1.0 1.8 5.5 37 37 A 4 ASP HA A 4 ASP HBy 1.0 1.8 3.4 38 38 A 4 ASP HA A 4 ASP HBy 1.0 1.8 5.5 39 39 A 4 ASP HA A 4 ASP H 1.0 1.8 3.4 40 40 A 4 ASP HA A 4 ASP H 1.0 1.8 5.5 41 41 A 4 ASP HBx A 4 ASP H 1.0 1.8 3.4 42 42 A 4 ASP HBx A 4 ASP H 1.0 1.8 5.5 43 43 A 4 ASP HBy A 4 ASP H 1.0 1.8 3.4 44 44 A 4 ASP HBy A 4 ASP H 1.0 1.8 5.5 45 45 A 5 ILE HA A 5 ILE HB 1.0 1.8 3.4 46 46 A 5 ILE HA A 5 ILE HD1% 1.0 1.8 5.5 47 47 A 5 ILE HA A 5 ILE HD1% 1.0 1.8 5.5 48 48 A 5 ILE HB A 5 ILE HD1% 1.0 1.8 5.5 49 49 A 5 ILE HB A 5 ILE HD1% 1.0 1.8 5.5 50 50 A 5 ILE HD1% A 5 ILE HG1x 1.0 1.8 5.5 51 51 A 5 ILE HA A 5 ILE HG1y 1.0 1.8 3.4 52 52 A 5 ILE HD1% A 5 ILE HG1y 1.0 1.8 5.5 53 53 A 5 ILE HA A 5 ILE HG2% 1.0 1.8 3.4 54 54 A 5 ILE HA A 5 ILE HG2% 1.0 1.8 5.5 55 55 A 5 ILE HB A 5 ILE HG2% 1.0 1.8 5.5 56 56 A 5 ILE HG1x A 5 ILE HG2% 1.0 1.8 5.5 57 57 A 5 ILE HG1y A 5 ILE HG2% 1.0 1.8 5.5 58 58 A 5 ILE HA A 5 ILE H 1.0 1.8 3.4 59 59 A 5 ILE HA A 5 ILE H 1.0 1.8 3.4 60 60 A 5 ILE HB A 5 ILE H 1.0 1.8 3.4 61 61 A 5 ILE HB A 5 ILE H 1.0 1.8 3.4 62 62 A 5 ILE HD1% A 5 ILE H 1.0 1.8 5.5 63 63 A 5 ILE HD1% A 5 ILE H 1.0 1.8 5.5 64 64 A 5 ILE HG1x A 5 ILE H 1.0 1.8 5.5 65 65 A 5 ILE HG1x A 5 ILE H 1.0 1.8 3.4 66 66 A 5 ILE HG1y A 5 ILE H 1.0 1.8 5.5 67 67 A 5 ILE HG2% A 5 ILE H 1.0 1.8 5.5 68 68 A 5 ILE HG2% A 5 ILE H 1.0 1.8 5.5 69 69 A 6 LEU HBx A 6 LEU HA 1.0 1.8 5.5 70 70 A 6 LEU HBx A 6 LEU HA 1.0 1.8 3.4 71 71 A 6 LEU HBx A 6 LEU HBy 1.0 1.8 2.8 72 72 A 6 LEU HBx A 6 LEU HDx% 1.0 1.8 5.5 73 73 A 6 LEU HBx A 6 LEU HDy% 1.0 1.8 3.4 74 74 A 6 LEU HA A 6 LEU HG 1.0 1.8 3.4 75 75 A 6 LEU HBy A 6 LEU HG 1.0 1.8 2.8 76 76 A 6 LEU HA A 6 LEU H 1.0 1.8 3.4 77 77 A 6 LEU HA A 6 LEU H 1.0 1.8 5.5 78 78 A 6 LEU HBx A 6 LEU H 1.0 1.8 5.5 79 79 A 6 LEU HBy A 6 LEU H 1.0 1.8 5.5 80 80 A 6 LEU HBy A 6 LEU H 1.0 1.8 5.5 81 81 A 6 LEU HDx% A 6 LEU H 1.0 1.8 5.5 82 82 A 6 LEU HDx% A 6 LEU H 1.0 1.8 5.5 83 83 A 6 LEU HDy% A 6 LEU H 1.0 1.8 5.5 84 84 A 6 LEU HDy% A 6 LEU H 1.0 1.8 5.5 85 85 A 6 LEU HG A 6 LEU H 1.0 1.8 5.5 86 86 A 6 LEU HG A 6 LEU H 1.0 1.8 5.5 87 87 A 7 LYS HA A 7 LYS HBx 1.0 1.8 3.4 88 88 A 7 LYS HA A 7 LYS HBx 1.0 1.8 3.4 89 89 A 7 LYS HA A 7 LYS HBy 1.0 1.8 2.8 90 90 A 7 LYS HA A 7 LYS HBy 1.0 1.8 3.4 91 91 A 7 LYS HA A 7 LYS HDy 1.0 2.4 3.4 92 92 A 7 LYS HA A 7 LYS HDy 1.0 2.4 3.4 93 93 A 7 LYS HBx A 7 LYS HDy 1.0 2.4 3.4 94 94 A 7 LYS HBy A 7 LYS HDy 1.0 1.8 2.8 95 95 A 7 LYS HBy A 7 LYS HDy 1.0 1.8 2.8 96 96 A 7 LYS HDy A 7 LYS HEx 1.0 1.8 3.4 97 97 A 7 LYS HDy A 7 LYS HEy 1.0 1.8 2.8 98 98 A 7 LYS HA A 7 LYS HGx 1.0 2.4 3.4 99 99 A 7 LYS HA A 7 LYS HGy 1.0 1.8 5.5 100 100 A 7 LYS HBx A 7 LYS HGy 1.0 1.8 5.5 101 101 A 7 LYS HBx A 7 LYS HGy 1.0 1.8 5.5 102 102 A 7 LYS HBy A 7 LYS HGy 1.0 1.8 5.5 103 103 A 7 LYS HBy A 7 LYS HGy 1.0 1.8 5.5 104 104 A 7 LYS HDy A 7 LYS HGy 1.0 1.8 2.8 105 105 A 7 LYS HEx A 7 LYS HGy 1.0 1.8 5.5 106 106 A 7 LYS HEy A 7 LYS HGy 1.0 1.8 5.5 107 107 A 7 LYS HA A 7 LYS H 1.0 1.8 3.4 108 108 A 7 LYS HA A 7 LYS H 1.0 1.8 3.4 109 109 A 7 LYS HBx A 7 LYS H 1.0 1.8 3.4 110 110 A 7 LYS HBx A 7 LYS H 1.0 1.8 2.8 111 111 A 7 LYS HBy A 7 LYS H 1.0 1.8 5.5 112 112 A 7 LYS HBy A 7 LYS H 1.0 1.8 5.5 113 113 A 7 LYS HDy A 7 LYS H 1.0 1.8 3.4 114 114 A 7 LYS HDy A 7 LYS H 1.0 1.8 3.4 115 115 A 7 LYS HGx A 7 LYS H 1.0 1.8 5.5 116 116 A 7 LYS HGy A 7 LYS H 1.0 1.8 5.5 117 117 A 8 GLY H A 8 GLY HAx 1.0 1.8 2.8 118 118 A 8 GLY H A 8 GLY HAx 1.0 1.8 3.4 119 119 A 8 GLY H A 8 GLY HAy 1.0 1.8 3.4 120 120 A 8 GLY H A 8 GLY HAy 1.0 1.8 2.8 121 121 A 9 ALA H A 9 ALA HA 1.0 1.8 3.4 122 122 A 9 ALA H A 9 ALA HA 1.0 1.8 5.5 123 123 A 9 ALA H A 9 ALA HB% 1.0 1.8 3.4 124 124 A 9 ALA H A 9 ALA HB% 1.0 1.8 3.4 125 125 A 10 ALA HB% A 10 ALA HA 1.0 1.8 2.8 126 126 A 10 ALA HA A 10 ALA H 1.0 1.8 2.8 127 127 A 10 ALA HB% A 10 ALA H 1.0 1.8 2.8 128 128 A 10 ALA HA A 10 ALA H 1.0 1.8 5.5 129 129 A 10 ALA HB% A 10 ALA H 1.0 1.8 2.8 130 130 A 11 LYS HA A 11 LYS HBy 1.0 1.8 2.8 131 131 A 11 LYS HEy A 11 LYS HDy 1.0 1.8 2.8 132 132 A 11 LYS HA A 11 LYS HGx 1.0 1.8 5.5 133 133 A 11 LYS HA A 11 LYS HGx 1.0 1.8 5.5 134 134 A 11 LYS HBy A 11 LYS HGx 1.0 1.8 3.4 135 135 A 11 LYS HEy A 11 LYS HGx 1.0 1.8 5.5 136 136 A 11 LYS HA A 11 LYS HGy 1.0 1.8 5.5 137 137 A 11 LYS HA A 11 LYS HGy 1.0 1.8 3.4 138 138 A 11 LYS HDy A 11 LYS HGy 1.0 1.8 2.8 139 139 A 11 LYS HEy A 11 LYS HGy 1.0 1.8 5.5 140 140 A 11 LYS HGx A 11 LYS HGy 1.0 1.8 2.8 141 141 A 11 LYS HA A 11 LYS H 1.0 1.8 3.4 142 142 A 11 LYS HA A 11 LYS H 1.0 1.8 2.8 143 143 A 11 LYS HBy A 11 LYS H 1.0 1.8 2.8 144 144 A 11 LYS H A 11 LYS HBx 1.0 1.8 2.8 145 145 A 11 LYS HDy A 11 LYS H 1.0 1.8 5.5 146 146 A 11 LYS HDy A 11 LYS H 1.0 1.8 5.5 147 147 A 11 LYS HGx A 11 LYS H 1.0 1.8 5.5 148 148 A 11 LYS HGx A 11 LYS H 1.0 1.8 5.5 149 149 A 11 LYS HGy A 11 LYS H 1.0 1.8 5.5 150 150 A 11 LYS HGy A 11 LYS H 1.0 1.8 5.5 151 151 A 12 ASP HBx A 12 ASP HA 1.0 1.8 3.4 152 152 A 12 ASP HBx A 12 ASP H 1.0 1.8 3.4 153 153 A 12 ASP HBx A 12 ASP HA 1.0 1.8 5.5 154 154 A 12 ASP HA A 12 ASP HBy 1.0 1.8 3.4 155 155 A 12 ASP HA A 12 ASP HBy 1.0 1.8 5.5 156 156 A 12 ASP HBx A 12 ASP HBy 1.0 1.8 2.8 157 157 A 12 ASP HBx A 12 ASP HBy 1.0 1.8 2.8 158 158 A 12 ASP HA A 12 ASP H 1.0 1.8 3.4 159 159 A 12 ASP HA A 12 ASP H 1.0 1.8 5.5 160 160 A 12 ASP HBx A 12 ASP H 1.0 1.8 3.4 161 161 A 12 ASP H A 12 ASP HBy 1.0 1.8 3.4 162 162 A 12 ASP H A 12 ASP HBy 1.0 1.8 3.4 163 163 A 13 ILE H A 13 ILE HG1y 1.0 1.8 5.5 164 163 A 13 ILE H A 13 ILE HG1x 1.0 1.8 5.5 165 164 A 13 ILE HB A 13 ILE HA 1.0 1.8 5.5 166 165 A 13 ILE HB A 13 ILE HA 1.0 1.8 3.4 167 166 A 13 ILE HA A 13 ILE HD1% 1.0 1.8 5.5 168 167 A 13 ILE HA A 13 ILE HD1% 1.0 1.8 5.5 169 168 A 13 ILE HA A 13 ILE HG1y 1.0 1.8 5.5 170 169 A 13 ILE HA A 13 ILE HG1y 1.0 1.8 3.4 171 170 A 13 ILE HA A 13 ILE HG2% 1.0 1.8 5.5 172 171 A 13 ILE HA A 13 ILE HG2% 1.0 1.8 5.5 173 172 A 13 ILE HB A 13 ILE HG2% 1.0 1.8 3.4 174 173 A 13 ILE H A 13 ILE HA 1.0 1.8 5.5 175 174 A 13 ILE H A 13 ILE HA 1.0 1.8 3.4 176 175 A 13 ILE H A 13 ILE HB 1.0 1.8 2.8 177 176 A 13 ILE H A 13 ILE HB 1.0 1.8 2.8 178 177 A 13 ILE H A 13 ILE HD1% 1.0 1.8 5.5 179 178 A 13 ILE H A 13 ILE HD1% 1.0 1.8 5.5 180 179 A 13 ILE H A 13 ILE HG1y 1.0 1.8 3.4 181 180 A 13 ILE H A 13 ILE HG1y 1.0 1.8 3.4 182 181 A 13 ILE H A 13 ILE HG2% 1.0 1.8 5.5 183 182 A 13 ILE H A 13 ILE HG2% 1.0 1.8 5.5 184 183 A 14 ALA HA A 14 ALA HB% 1.0 1.8 3.4 185 184 A 14 ALA HA A 14 ALA H 1.0 1.8 3.4 186 185 A 14 ALA HA A 14 ALA H 1.0 1.8 3.4 187 186 A 14 ALA HB% A 14 ALA H 1.0 1.8 3.4 188 187 A 14 ALA HB% A 14 ALA H 1.0 1.8 3.4 189 188 A 15 GLY HAx A 15 GLY HAy 1.0 1.8 2.8 190 189 A 15 GLY HAx A 15 GLY HAy 1.0 1.8 2.8 191 190 A 15 GLY HAx A 15 GLY H 1.0 1.8 2.8 192 191 A 15 GLY HAx A 15 GLY H 1.0 1.8 3.4 193 192 A 15 GLY HAy A 15 GLY H 1.0 1.8 5.5 194 193 A 15 GLY HAy A 15 GLY H 1.0 1.8 5.5 195 194 A 16 HIS HBy A 16 HIS HA 1.0 1.8 2.8 196 195 A 16 HIS HA A 16 HIS HD2 1.0 1.8 5.5 197 196 A 16 HIS HBy A 16 HIS HD2 1.0 1.8 5.5 198 197 A 16 HIS HBy A 16 HIS HD2 1.0 1.8 3.4 199 198 A 16 HIS HA A 16 HIS H 1.0 1.8 2.8 200 199 A 16 HIS HBy A 16 HIS H 1.0 1.8 2.8 201 200 A 16 HIS HBy A 16 HIS H 1.0 1.8 3.4 202 201 A 16 HIS HD2 A 16 HIS H 1.0 1.8 5.5 203 202 A 16 HIS HD2 A 16 HIS H 1.0 1.8 5.5 204 203 A 17 LEU HA A 17 LEU HBx 1.0 1.8 3.4 205 204 A 17 LEU HA A 17 LEU HBx 1.0 1.8 2.8 206 205 A 17 LEU HA A 17 LEU HBy 1.0 1.8 5.5 207 206 A 17 LEU HA A 17 LEU HBy 1.0 1.8 3.4 208 207 A 17 LEU HBx A 17 LEU HBy 1.0 1.8 2.8 209 208 A 17 LEU HBx A 17 LEU HBy 1.0 1.8 2.8 210 209 A 17 LEU HBy A 17 LEU HDx% 1.0 1.8 5.5 211 210 A 17 LEU HBy A 17 LEU HDx% 1.0 1.8 5.5 212 211 A 17 LEU HA A 17 LEU HDy% 1.0 1.8 5.5 213 212 A 17 LEU HBy A 17 LEU HDy% 1.0 1.8 5.5 214 213 A 17 LEU HA A 17 LEU H 1.0 1.8 2.8 215 214 A 17 LEU HA A 17 LEU H 1.0 1.8 5.5 216 215 A 17 LEU HBx A 17 LEU H 1.0 1.8 2.8 217 216 A 17 LEU HBx A 17 LEU H 1.0 1.8 2.8 218 217 A 17 LEU HBy A 17 LEU H 1.0 1.8 3.4 219 218 A 17 LEU HBy A 17 LEU H 1.0 1.8 5.5 220 219 A 17 LEU HDx% A 17 LEU H 1.0 1.8 5.5 221 220 A 17 LEU HDy% A 17 LEU H 1.0 1.8 5.5 222 221 A 18 ALA HA A 18 ALA HB% 1.0 1.8 3.4 223 222 A 18 ALA HA A 18 ALA HB% 1.0 1.8 2.8 224 223 A 18 ALA HA A 18 ALA H 1.0 1.8 2.8 225 224 A 18 ALA HA A 18 ALA H 1.0 1.8 3.4 226 225 A 18 ALA HB% A 18 ALA H 1.0 1.8 3.4 227 226 A 18 ALA HB% A 18 ALA H 1.0 1.8 5.5 228 227 A 19 SER HBx A 19 SER HA 1.0 1.8 2.8 229 228 A 19 SER HBx A 19 SER HA 1.0 1.8 2.8 230 229 A 19 SER HA A 19 SER HBy 1.0 1.8 2.8 231 230 A 19 SER HA A 19 SER HBy 1.0 1.8 5.5 232 231 A 19 SER HA A 19 SER H 1.0 1.8 2.8 233 232 A 19 SER HA A 19 SER H 1.0 1.8 3.4 234 233 A 19 SER HBx A 19 SER H 1.0 1.8 2.8 235 234 A 19 SER HBx A 19 SER H 1.0 1.8 3.4 236 235 A 19 SER HBy A 19 SER H 1.0 1.8 5.5 237 236 A 19 SER HBy A 19 SER H 1.0 1.8 3.4 238 237 A 20 LYS HBy A 20 LYS HA 1.0 1.8 2.8 239 238 A 20 LYS HBy A 20 LYS HA 1.0 1.8 2.8 240 239 A 20 LYS HA A 20 LYS HDy 1.0 1.8 5.5 241 240 A 20 LYS HA A 20 LYS HDy 1.0 1.8 5.5 242 241 A 20 LYS HDy A 20 LYS HEy 1.0 1.8 3.4 243 242 A 20 LYS HDy A 20 LYS HEy 1.0 1.8 3.4 244 243 A 20 LYS HA A 20 LYS HGy 1.0 1.8 3.4 245 244 A 20 LYS HA A 20 LYS HGy 1.0 1.8 3.4 246 245 A 20 LYS HEy A 20 LYS HGy 1.0 1.8 5.5 247 246 A 20 LYS HEy A 20 LYS HGy 1.0 1.8 3.4 248 247 A 20 LYS HA A 20 LYS H 1.0 1.8 3.4 249 248 A 20 LYS HA A 20 LYS H 1.0 1.8 3.4 250 249 A 20 LYS HBy A 20 LYS H 1.0 1.8 2.8 251 250 A 20 LYS HBy A 20 LYS H 1.0 1.8 2.8 252 251 A 20 LYS HDy A 20 LYS H 1.0 1.8 5.5 253 252 A 20 LYS HDy A 20 LYS H 1.0 1.8 5.5 254 253 A 20 LYS HGy A 20 LYS H 1.0 1.8 3.4 255 254 A 20 LYS HGy A 20 LYS H 1.0 1.8 5.5 256 255 A 21 VAL HA A 21 VAL HB 1.0 1.8 3.4 257 256 A 21 VAL HA A 21 VAL HB 1.0 1.8 3.4 258 257 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 5.5 259 258 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 3.4 260 259 A 21 VAL HA A 21 VAL HGy% 1.0 1.8 5.5 261 260 A 21 VAL HA A 21 VAL H 1.0 1.8 2.8 262 261 A 21 VAL HA A 21 VAL H 1.0 1.8 2.8 263 262 A 21 VAL HB A 21 VAL H 1.0 1.8 2.8 264 263 A 21 VAL HB A 21 VAL H 1.0 1.8 3.4 265 264 A 21 VAL HGx% A 21 VAL H 1.0 1.8 5.5 266 265 A 21 VAL HGy% A 21 VAL H 1.0 1.8 5.5 267 266 A 21 VAL HGy% A 21 VAL H 1.0 1.8 5.5 268 267 A 22 MET HBx A 22 MET HA 1.0 1.8 5.5 269 268 A 22 MET HA A 22 MET HBy 1.0 1.8 5.5 270 269 A 22 MET HA A 22 MET HBy 1.0 1.8 5.5 271 270 A 22 MET HBx A 22 MET HBy 1.0 1.8 2.8 272 271 A 22 MET HBx A 22 MET HBy 1.0 1.8 2.8 273 272 A 22 MET HA A 22 MET HGx 1.0 1.8 3.4 274 273 A 22 MET HA A 22 MET HGx 1.0 1.8 5.5 275 274 A 22 MET HBx A 22 MET HGx 1.0 1.8 5.5 276 275 A 22 MET HBx A 22 MET HGx 1.0 1.8 3.4 277 276 A 22 MET HBy A 22 MET HGx 1.0 1.8 5.5 278 277 A 22 MET HA A 22 MET HGy 1.0 1.8 3.4 279 278 A 22 MET HA A 22 MET HGy 1.0 1.8 5.5 280 279 A 22 MET HBx A 22 MET HGy 1.0 1.8 5.5 281 280 A 22 MET HBx A 22 MET HGy 1.0 1.8 5.5 282 281 A 22 MET HBy A 22 MET HGy 1.0 1.8 5.5 283 282 A 22 MET HBy A 22 MET HGy 1.0 1.8 5.5 284 283 A 22 MET HA A 22 MET H 1.0 1.8 2.8 285 284 A 22 MET HA A 22 MET H 1.0 1.8 5.5 286 285 A 22 MET HBx A 22 MET H 1.0 1.8 5.5 287 286 A 22 MET HBx A 22 MET H 1.0 1.8 5.5 288 287 A 22 MET HBy A 22 MET H 1.0 1.8 5.5 289 288 A 22 MET HBy A 22 MET H 1.0 1.8 5.5 290 289 A 22 MET HGx A 22 MET H 1.0 1.8 2.8 291 290 A 22 MET HGy A 22 MET H 1.0 1.8 2.8 292 291 A 22 MET HGx A 22 MET H 1.0 1.8 3.4 293 292 A 22 MET HGy A 22 MET H 1.0 1.8 3.4 294 293 A 23 ASN HBx A 23 ASN HA 1.0 1.8 5.5 295 294 A 23 ASN HA A 23 ASN HBy 1.0 1.8 5.5 296 295 A 23 ASN HBx A 23 ASN HD2x 1.0 1.8 5.5 297 295 A 23 ASN HBx A 23 ASN HD2y 1.0 1.8 5.5 298 296 A 23 ASN HBx A 23 ASN HD2x 1.0 1.8 3.4 299 296 A 23 ASN HBx A 23 ASN HD2y 1.0 1.8 3.4 300 297 A 23 ASN HBy A 23 ASN HD2y 1.0 1.8 5.5 301 297 A 23 ASN HBy A 23 ASN HD2x 1.0 1.8 5.5 302 298 A 23 ASN HBy A 23 ASN HD2y 1.0 1.8 5.5 303 298 A 23 ASN HBy A 23 ASN HD2x 1.0 1.8 5.5 304 299 A 23 ASN HBx A 23 ASN HD2x 1.0 1.8 5.5 305 300 A 23 ASN HBy A 23 ASN HD2x 1.0 1.8 5.5 306 301 A 23 ASN HD2x A 23 ASN HD2y 1.0 1.8 2.8 307 302 A 23 ASN HD2x A 23 ASN HD2y 1.0 1.8 2.8 308 303 A 23 ASN HA A 23 ASN H 1.0 1.8 2.8 309 304 A 23 ASN HBx A 23 ASN H 1.0 1.8 5.5 310 305 A 23 ASN HBx A 23 ASN H 1.0 3.9 5.5 311 306 A 23 ASN HBy A 23 ASN H 1.0 1.8 3.4 312 307 A 23 ASN HBy A 23 ASN H 1.0 1.8 3.4 313 308 A 1 GLY HAx A 2 VAL H 1.0 1.8 5.5 314 309 A 1 GLY HAx A 2 VAL H 1.0 1.8 5.5 315 310 A 1 GLY HAy A 2 VAL H 1.0 1.8 5.5 316 311 A 1 GLY HAy A 2 VAL H 1.0 1.8 5.5 317 312 A 2 VAL HA A 3 VAL H 1.0 1.8 5.5 318 313 A 2 VAL HA A 3 VAL H 1.0 1.8 5.5 319 314 A 2 VAL HB A 3 VAL H 1.0 1.8 5.5 320 315 A 2 VAL HB A 3 VAL H 1.0 1.8 5.5 321 316 A 2 VAL H A 3 VAL H 1.0 1.8 5.5 322 317 A 3 VAL HA A 4 ASP H 1.0 1.8 5.5 323 318 A 3 VAL HA A 4 ASP H 1.0 1.8 5.5 324 319 A 3 VAL HB A 4 ASP H 1.0 1.8 5.5 325 320 A 3 VAL HB A 4 ASP H 1.0 1.8 3.4 326 321 A 3 VAL HGx% A 4 ASP H 1.0 1.8 5.5 327 322 A 3 VAL HGx% A 4 ASP H 1.0 1.8 5.5 328 323 A 3 VAL HGy% A 4 ASP H 1.0 1.8 5.5 329 324 A 3 VAL HGy% A 4 ASP H 1.0 1.8 5.5 330 325 A 3 VAL H A 4 ASP H 1.0 1.8 5.5 331 326 A 3 VAL H A 4 ASP H 1.0 1.8 3.4 332 327 A 4 ASP HA A 5 ILE H 1.0 1.8 5.5 333 328 A 4 ASP HA A 5 ILE H 1.0 1.8 5.5 334 329 A 4 ASP HBx A 5 ILE H 1.0 1.8 5.5 335 330 A 4 ASP HBx A 5 ILE H 1.0 1.8 5.5 336 331 A 4 ASP HBy A 5 ILE H 1.0 1.8 5.5 337 332 A 4 ASP HBy A 5 ILE H 1.0 1.8 5.5 338 333 A 4 ASP H A 5 ILE H 1.0 1.8 5.5 339 334 A 4 ASP H A 5 ILE H 1.0 1.8 3.4 340 335 A 5 ILE HA A 6 LEU H 1.0 1.8 5.5 341 336 A 5 ILE HB A 6 LEU H 1.0 1.8 5.5 342 337 A 5 ILE HB A 6 LEU H 1.0 1.8 5.5 343 338 A 5 ILE H A 6 LEU H 1.0 1.8 3.4 344 339 A 5 ILE H A 6 LEU H 1.0 1.8 5.5 345 340 A 6 LEU HA A 7 LYS H 1.0 1.8 5.5 346 341 A 6 LEU HA A 7 LYS H 1.0 1.8 5.5 347 342 A 6 LEU H A 7 LYS H 1.0 1.8 5.5 348 343 A 6 LEU H A 7 LYS H 1.0 1.8 5.5 349 344 A 7 LYS HBx A 8 GLY H 1.0 1.8 5.5 350 345 A 7 LYS HBx A 8 GLY H 1.0 1.8 5.5 351 346 A 7 LYS HBy A 8 GLY H 1.0 1.8 5.5 352 347 A 7 LYS HBy A 8 GLY H 1.0 1.8 5.5 353 348 A 7 LYS H A 8 GLY H 1.0 1.8 5.5 354 349 A 7 LYS H A 8 GLY H 1.0 1.8 5.5 355 350 A 8 GLY HAx A 9 ALA H 1.0 1.8 3.4 356 351 A 8 GLY HAx A 9 ALA H 1.0 1.8 5.5 357 352 A 8 GLY HAy A 9 ALA H 1.0 1.8 3.4 358 353 A 8 GLY HAy A 9 ALA H 1.0 1.8 3.4 359 354 A 8 GLY H A 9 ALA H 1.0 1.8 3.4 360 355 A 8 GLY H A 9 ALA H 1.0 1.8 3.4 361 356 A 9 ALA HA A 10 ALA H 1.0 1.8 5.5 362 357 A 9 ALA HA A 10 ALA H 1.0 1.8 5.5 363 358 A 9 ALA H A 10 ALA H 1.0 1.8 3.4 364 359 A 10 ALA HB% A 11 LYS H 1.0 1.8 5.5 365 360 A 10 ALA HB% A 11 LYS H 1.0 1.8 5.5 366 361 A 10 ALA H A 11 LYS H 1.0 1.8 3.4 367 362 A 10 ALA H A 11 LYS H 1.0 1.8 3.4 368 363 A 11 LYS HA A 12 ASP H 1.0 1.8 5.5 369 364 A 11 LYS HBy A 12 ASP H 1.0 1.8 2.8 370 365 A 12 ASP HA A 13 ILE H 1.0 1.8 5.5 371 366 A 12 ASP HBx A 13 ILE H 1.0 1.8 5.5 372 367 A 12 ASP HBx A 13 ILE H 1.0 1.8 5.5 373 368 A 12 ASP HBy A 13 ILE H 1.0 1.8 5.5 374 369 A 12 ASP HBy A 13 ILE H 1.0 1.8 5.5 375 370 A 12 ASP H A 13 ILE H 1.0 1.8 3.4 376 371 A 12 ASP H A 13 ILE H 1.0 1.8 5.5 377 372 A 13 ILE HA A 14 ALA H 1.0 1.8 5.5 378 373 A 13 ILE HA A 14 ALA H 1.0 1.8 5.5 379 374 A 13 ILE HB A 14 ALA H 1.0 1.8 3.4 380 375 A 14 ALA H A 13 ILE HG1y 1.0 1.8 5.5 381 376 A 14 ALA HA A 15 GLY H 1.0 1.8 5.5 382 377 A 14 ALA HB% A 15 GLY H 1.0 1.8 5.5 383 378 A 14 ALA HB% A 15 GLY H 1.0 1.8 5.5 384 379 A 14 ALA H A 15 GLY H 1.0 1.8 5.5 385 380 A 14 ALA H A 15 GLY H 1.0 1.8 5.5 386 381 A 15 GLY H A 16 HIS HD2 1.0 1.8 5.5 387 382 A 15 GLY HAx A 16 HIS H 1.0 1.8 2.8 388 383 A 15 GLY HAx A 16 HIS H 1.0 1.8 5.5 389 384 A 15 GLY HAy A 16 HIS H 1.0 1.8 5.5 390 385 A 15 GLY H A 16 HIS H 1.0 1.8 2.8 391 386 A 16 HIS HA A 17 LEU H 1.0 1.8 5.5 392 387 A 16 HIS HBy A 17 LEU H 1.0 1.8 3.4 393 388 A 16 HIS HBy A 17 LEU H 1.0 1.8 5.5 394 389 A 16 HIS H A 17 LEU H 1.0 1.8 3.4 395 390 A 17 LEU HA A 18 ALA H 1.0 1.8 5.5 396 391 A 17 LEU HA A 18 ALA H 1.0 1.8 5.5 397 392 A 17 LEU HBx A 18 ALA H 1.0 1.8 3.4 398 393 A 17 LEU HBx A 18 ALA H 1.0 1.8 5.5 399 394 A 17 LEU HBy A 18 ALA H 1.0 1.8 5.5 400 395 A 17 LEU HBy A 18 ALA H 1.0 1.8 5.5 401 396 A 17 LEU H A 18 ALA H 1.0 1.8 3.4 402 397 A 17 LEU H A 18 ALA H 1.0 1.8 3.4 403 398 A 18 ALA HA A 19 SER H 1.0 1.8 3.4 404 399 A 18 ALA HB% A 19 SER H 1.0 1.8 5.5 405 400 A 18 ALA HB% A 19 SER H 1.0 1.8 5.5 406 401 A 18 ALA H A 19 SER H 1.0 1.8 2.8 407 402 A 19 SER HA A 20 LYS H 1.0 1.8 5.5 408 403 A 19 SER HBy A 20 LYS H 1.0 1.8 5.5 409 404 A 19 SER H A 20 LYS H 1.0 1.8 2.8 410 405 A 19 SER H A 20 LYS H 1.0 1.8 2.8 411 406 A 20 LYS HA A 21 VAL H 1.0 1.8 5.5 412 407 A 21 VAL HA A 22 MET H 1.0 1.8 3.4 413 408 A 21 VAL HA A 22 MET H 1.0 1.8 5.5 414 409 A 21 VAL HB A 22 MET H 1.0 1.8 5.5 415 410 A 21 VAL HB A 22 MET H 1.0 1.8 3.4 416 411 A 21 VAL HGx% A 22 MET H 1.0 1.8 5.5 417 412 A 21 VAL HGx% A 22 MET H 1.0 1.8 5.5 418 413 A 21 VAL HGy% A 22 MET H 1.0 1.8 5.5 419 414 A 21 VAL HGy% A 22 MET H 1.0 1.8 5.5 420 415 A 21 VAL H A 22 MET H 1.0 1.8 2.8 421 416 A 21 VAL H A 22 MET H 1.0 1.8 2.8 422 417 A 22 MET HA A 23 ASN HD2y 1.0 1.8 5.5 423 417 A 22 MET HA A 23 ASN HD2x 1.0 1.8 5.5 424 418 A 22 MET HA A 23 ASN HD2x 1.0 1.8 5.5 425 419 A 22 MET HA A 23 ASN H 1.0 1.8 3.4 426 420 A 1 GLY HAx A 3 VAL H 1.0 1.8 5.5 427 421 A 2 VAL HA A 4 ASP H 1.0 1.8 5.5 428 422 A 2 VAL HA A 4 ASP H 1.0 1.8 5.5 429 423 A 2 VAL HA A 5 ILE HB 1.0 1.8 5.5 430 424 A 2 VAL HA A 5 ILE H 1.0 1.8 3.4 431 425 A 2 VAL HA A 5 ILE H 1.0 1.8 5.5 432 426 A 3 VAL HA A 5 ILE H 1.0 1.8 5.5 433 427 A 3 VAL HA A 5 ILE H 1.0 1.8 5.5 434 428 A 2 VAL HA A 6 LEU H 1.0 1.8 5.5 435 429 A 2 VAL HA A 6 LEU H 1.0 1.8 5.5 436 430 A 3 VAL HA A 6 LEU HBx 1.0 1.8 3.4 437 431 A 3 VAL HA A 6 LEU HBx 1.0 1.8 5.5 438 432 A 3 VAL HA A 6 LEU HBy 1.0 1.8 5.5 439 433 A 3 VAL HA A 6 LEU HBy 1.0 1.8 5.5 440 434 A 3 VAL HA A 6 LEU H 1.0 1.8 5.5 441 435 A 3 VAL HA A 6 LEU H 1.0 1.8 5.5 442 436 A 3 VAL HA A 7 LYS H 1.0 1.8 5.5 443 437 A 3 VAL HA A 7 LYS H 1.0 1.8 5.5 444 438 A 4 ASP HA A 7 LYS HBx 1.0 1.8 5.5 445 439 A 4 ASP HA A 7 LYS HBy 1.0 1.8 5.5 446 440 A 4 ASP HA A 7 LYS H 1.0 1.8 5.5 447 441 A 4 ASP HA A 8 GLY H 1.0 1.8 5.5 448 442 A 6 LEU HA A 8 GLY H 1.0 1.8 5.5 449 443 A 6 LEU HA A 9 ALA H 1.0 1.8 5.5 450 444 A 6 LEU HA A 10 ALA H 1.0 1.8 5.5 451 445 A 6 LEU HA A 10 ALA H 1.0 1.8 5.5 452 446 A 6 LEU HBx A 10 ALA H 1.0 1.8 5.5 453 447 A 7 LYS HA A 10 ALA HB% 1.0 1.8 5.5 454 448 A 7 LYS HA A 10 ALA HB% 1.0 1.8 5.5 455 449 A 7 LYS HA A 10 ALA H 1.0 1.8 5.5 456 450 A 7 LYS HA A 10 ALA H 1.0 1.8 5.5 457 451 A 8 GLY HAy A 11 LYS H 1.0 1.8 5.5 458 452 A 8 GLY HAy A 11 LYS H 1.0 1.8 5.5 459 453 A 9 ALA HA A 12 ASP HBx 1.0 1.8 5.5 460 454 A 9 ALA HA A 12 ASP HBx 1.0 1.8 5.5 461 455 A 9 ALA HA A 12 ASP HBy 1.0 1.8 5.5 462 456 A 9 ALA HA A 12 ASP HBy 1.0 1.8 5.5 463 457 A 9 ALA HA A 12 ASP H 1.0 1.8 5.5 464 458 A 9 ALA HA A 12 ASP H 1.0 1.8 5.5 465 459 A 10 ALA HB% A 12 ASP H 1.0 1.8 5.5 466 460 A 9 ALA HA A 13 ILE H 1.0 1.8 5.5 467 461 A 10 ALA HA A 13 ILE H 1.0 1.8 5.5 468 462 A 10 ALA HB% A 13 ILE H 1.0 1.8 5.5 469 463 A 11 LYS HA A 14 ALA H 1.0 1.8 5.5 470 464 A 11 LYS HA A 14 ALA H 1.0 1.8 5.5 471 465 A 12 ASP HA A 14 ALA H 1.0 1.8 5.5 472 466 A 11 LYS HA A 15 GLY H 1.0 1.8 5.5 473 467 A 12 ASP HA A 15 GLY H 1.0 1.8 5.5 474 468 A 13 ILE HA A 15 GLY H 1.0 1.8 5.5 475 469 A 13 ILE HA A 15 GLY H 1.0 1.8 5.5 476 470 A 13 ILE HA A 16 HIS HBy 1.0 1.8 5.5 477 471 A 13 ILE HA A 16 HIS HBy 1.0 1.8 5.5 478 472 A 13 ILE HA A 16 HIS HD2 1.0 1.8 5.5 479 473 A 13 ILE HA A 16 HIS HD2 1.0 1.8 3.4 480 474 A 13 ILE HA A 16 HIS H 1.0 1.8 5.5 481 475 A 13 ILE HA A 16 HIS H 1.0 1.8 5.5 482 476 A 13 ILE HA A 17 LEU H 1.0 1.8 5.5 483 477 A 14 ALA HA A 17 LEU HBx 1.0 1.8 3.4 484 478 A 14 ALA HA A 17 LEU HBx 1.0 1.8 3.4 485 479 A 14 ALA HA A 17 LEU HBy 1.0 1.8 5.5 486 480 A 14 ALA HA A 18 ALA H 1.0 1.8 5.5 487 481 A 15 GLY HAx A 18 ALA H 1.0 1.8 5.5 488 482 A 15 GLY HAy A 18 ALA H 1.0 1.8 5.5 489 483 A 15 GLY HAy A 18 ALA H 1.0 1.8 5.5 490 484 A 16 HIS HA A 18 ALA H 1.0 1.8 5.5 491 485 A 17 LEU HA A 19 SER H 1.0 1.8 5.5 492 486 A 17 LEU HBx A 19 SER H 1.0 1.8 5.5 493 487 A 17 LEU HA A 20 LYS HBy 1.0 1.8 5.5 494 488 A 17 LEU HA A 20 LYS H 1.0 1.8 5.5 495 489 A 18 ALA HA A 20 LYS H 1.0 1.8 5.5 496 490 A 18 ALA HA A 20 LYS H 1.0 1.8 5.5 497 491 A 18 ALA HB% A 20 LYS H 1.0 1.8 5.5 498 492 A 17 LEU HA A 21 VAL H 1.0 1.8 5.5 499 493 A 17 LEU HA A 21 VAL H 1.0 1.8 5.5 500 494 A 18 ALA HA A 21 VAL HB 1.0 1.8 5.5 501 495 A 18 ALA HA A 21 VAL HB 1.0 1.8 5.5 502 496 A 18 ALA HA A 21 VAL H 1.0 1.8 5.5 503 497 A 18 ALA HA A 22 MET H 1.0 1.8 5.5 504 498 A 18 ALA HA A 22 MET H 1.0 1.8 5.5 505 499 A 19 SER HA A 22 MET H 1.0 1.8 5.5 506 500 A 20 LYS HA A 22 MET H 1.0 1.8 5.5 507 501 A 20 LYS HA A 23 ASN H 1.0 1.8 5.5 508 502 A 21 VAL HA A 23 ASN HD2y 1.0 1.8 5.5 509 502 A 21 VAL HA A 23 ASN HD2x 1.0 1.8 5.5 510 503 A 21 VAL HA A 23 ASN HD2x 1.0 1.8 5.5 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 -70.43 -52.53 PHI 2 2 A 2 VAL C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -73.25 -53.95 PHI 3 3 A 3 VAL C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -71.16 -53.32 PHI 4 4 A 4 ASP C A 5 ILE N A 5 ILE CA A 5 ILE C 1.0 -72.85 -54.33 PHI 5 5 A 5 ILE C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -84.00 -47.52 PHI 6 6 A 6 LEU C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -76.70 -54.00 PHI 7 7 A 7 LYS C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 -82.46 -46.80 PHI 8 8 A 8 GLY C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -77.31 -54.25 PHI 9 9 A 9 ALA C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -69.55 -58.01 PHI 10 10 A 10 ALA C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -74.70 -56.60 PHI 11 11 A 11 LYS C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -71.77 -58.65 PHI 12 12 A 12 ASP C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -78.50 -50.12 PHI 13 13 A 13 ILE C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -76.61 -48.25 PHI 14 14 A 14 ALA C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 -78.16 -48.12 PHI 15 15 A 15 GLY C A 16 HIS N A 16 HIS CA A 16 HIS C 1.0 -75.33 -49.07 PHI 16 16 A 16 HIS C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -102.23 -34.51 PHI 17 17 A 17 LEU C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -75.48 -56.24 PHI 18 18 A 18 ALA C A 19 SER N A 19 SER CA A 19 SER C 1.0 -81.83 -49.03 PHI 19 19 A 19 SER C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -96.83 -53.75 PHI 20 20 A 20 LYS C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -127.87 -47.19 PHI 21 21 A 2 VAL N A 2 VAL CA A 2 VAL C A 3 VAL N 1.0 -61.97 -30.95 PSI 22 22 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 ASP N 1.0 -50.79 -30.89 PSI 23 23 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 ILE N 1.0 -53.43 -26.79 PSI 24 24 A 5 ILE N A 5 ILE CA A 5 ILE C A 6 LEU N 1.0 -53.45 -32.43 PSI 25 25 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 LYS N 1.0 -59.94 -18.28 PSI 26 26 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 GLY N 1.0 -53.17 -33.39 PSI 27 27 A 8 GLY N A 8 GLY CA A 8 GLY C A 9 ALA N 1.0 -59.67 -26.07 PSI 28 28 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 ALA N 1.0 -48.25 -28.17 PSI 29 29 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 LYS N 1.0 -53.86 -28.82 PSI 30 30 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 ASP N 1.0 -54.57 -29.95 PSI 31 31 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 ILE N 1.0 -56.22 -24.92 PSI 32 32 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 ALA N 1.0 -54.11 -29.85 PSI 33 33 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 GLY N 1.0 -58.54 -25.76 PSI 34 34 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 HIS N 1.0 -64.88 -23.54 PSI 35 35 A 16 HIS N A 16 HIS CA A 16 HIS C A 17 LEU N 1.0 -59.82 -9.12 PSI 36 36 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 ALA N 1.0 -58.52 4.74 PSI 37 37 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 SER N 1.0 -52.94 -9.12 PSI 38 38 A 19 SER N A 19 SER CA A 19 SER C A 20 LYS N 1.0 -65.43 -19.45 PSI 39 39 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 VAL N 1.0 -67.26 34.46 PSI 40 40 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 MET N 1.0 -73.73 28.91 PSI 41 41 A 22 MET N A 22 MET CA A 22 MET C A 23 ASN N 1.0 -63.75 -1.71 PSI stop_ save_