data_nef_c30214_5u9v 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 30215 BMRB 30216 BMRB 30217 BMRB 30218 BMRB 30219 PDB 5U9V 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 4.089 . A 1 GLY HAx H 1 3.973 . A 1 GLY CA C 13 43.462 . A 2 VAL H H 1 9.496 . A 2 VAL HA H 1 3.653 . A 2 VAL HB H 1 2.151 . A 2 VAL HGx% H 1 1.104 . A 2 VAL HGy% H 1 0.962 . A 2 VAL CA C 13 66.777 . A 2 VAL CB C 13 31.960 . A 2 VAL CGy C 13 22.916 . A 2 VAL CGx C 13 21.787 . A 2 VAL N N 15 122.385 . A 3 VAL H H 1 8.890 . A 3 VAL HA H 1 3.523 . A 3 VAL HB H 1 2.095 . A 3 VAL HGx% H 1 1.070 . A 3 VAL HGy% H 1 0.953 . A 3 VAL CA C 13 67.765 . A 3 VAL CB C 13 31.020 . A 3 VAL CGy C 13 23.861 . A 3 VAL CGx C 13 21.855 . A 3 VAL N N 15 119.613 . A 4 ASP H H 1 7.695 . A 4 ASP HA H 1 4.320 . A 4 ASP HBy H 1 2.770 . A 4 ASP HBx H 1 2.707 . A 4 ASP CA C 13 57.528 . A 4 ASP CB C 13 40.775 . A 4 ASP N N 15 118.222 . A 5 ILE H H 1 7.803 . A 5 ILE HA H 1 3.824 . A 5 ILE HB H 1 2.062 . A 5 ILE HD1% H 1 0.845 . A 5 ILE HG1y H 1 1.738 . A 5 ILE HG1x H 1 1.246 . A 5 ILE HG2% H 1 0.912 . A 5 ILE CA C 13 64.407 . A 5 ILE CB C 13 37.787 . A 5 ILE CD1 C 13 13.207 . A 5 ILE CG1 C 13 26.583 . A 5 ILE CG2 C 13 17.702 . A 5 ILE N N 15 121.484 . A 6 LEU H H 1 8.312 . A 6 LEU HA H 1 4.015 . A 6 LEU HBy H 1 1.970 . A 6 LEU HBx H 1 1.463 . A 6 LEU HDx% H 1 0.856 . A 6 LEU HDy% H 1 0.817 . A 6 LEU HG H 1 1.933 . A 6 LEU CA C 13 58.150 . A 6 LEU CB C 13 41.754 . A 6 LEU CDy C 13 26.079 . A 6 LEU CDx C 13 23.169 . A 6 LEU CG C 13 26.765 . A 6 LEU N N 15 120.411 . A 7 LYS H H 1 8.666 . A 7 LYS HA H 1 3.844 . A 7 LYS HBy H 1 1.945 . A 7 LYS HBx H 1 1.873 . A 7 LYS HDy H 1 1.728 . A 7 LYS HDx H 1 1.669 . A 7 LYS HEy H 1 2.921 . A 7 LYS HEx H 1 2.755 . A 7 LYS HGy H 1 1.646 . A 7 LYS HGx H 1 1.424 . A 7 LYS CA C 13 60.795 . A 7 LYS CB C 13 32.818 . A 7 LYS CD C 13 29.796 . A 7 LYS CE C 13 42.062 . A 7 LYS CG C 13 25.825 . A 7 LYS N N 15 118.141 . A 8 GLY H H 1 8.016 . A 8 GLY HAy H 1 3.920 . A 8 GLY HAx H 1 3.837 . A 8 GLY CA C 13 47.085 . A 8 GLY N N 15 106.133 . A 9 ALA H H 1 8.377 . A 9 ALA HA H 1 4.212 . A 9 ALA HB% H 1 1.503 . A 9 ALA CA C 13 54.809 . A 9 ALA CB C 13 18.523 . A 9 ALA N N 15 124.634 . A 10 ALA H H 1 8.461 . A 10 ALA HA H 1 3.924 . A 10 ALA HB% H 1 1.510 . A 10 ALA CA C 13 55.687 . A 10 ALA CB C 13 18.523 . A 10 ALA N N 15 120.004 . A 11 LYS H H 1 8.126 . A 11 LYS HA H 1 3.908 . A 11 LYS HBx H 1 1.956 . A 11 LYS HDx H 1 1.721 . A 11 LYS HEx H 1 2.921 . A 11 LYS HGy H 1 1.649 . A 11 LYS HGx H 1 1.420 . A 11 LYS CA C 13 60.101 . A 11 LYS CB C 13 32.200 . A 11 LYS CD C 13 29.964 . A 11 LYS CE C 13 42.062 . A 11 LYS CG C 13 25.835 . A 11 LYS N N 15 117.122 . A 12 ASP H H 1 8.081 . A 12 ASP HA H 1 4.500 . A 12 ASP HBy H 1 3.070 . A 12 ASP HBx H 1 2.894 . A 12 ASP CA C 13 56.088 . A 12 ASP CB C 13 38.480 . A 12 ASP N N 15 119.655 . A 13 ILE H H 1 8.559 . A 13 ILE HA H 1 3.691 . A 13 ILE HB H 1 1.971 . A 13 ILE HD1% H 1 0.815 . A 13 ILE HG1y H 1 1.851 . A 13 ILE HG1x H 1 1.055 . A 13 ILE HG2% H 1 0.908 . A 13 ILE CA C 13 65.468 . A 13 ILE CB C 13 38.327 . A 13 ILE CD1 C 13 13.749 . A 13 ILE CG1 C 13 24.072 . A 13 ILE CG2 C 13 17.702 . A 13 ILE N N 15 120.680 . A 14 ALA H H 1 8.582 . A 14 ALA HA H 1 3.973 . A 14 ALA HB% H 1 1.524 . A 14 ALA CA C 13 55.731 . A 14 ALA CB C 13 18.472 . A 14 ALA N N 15 121.968 . A 15 GLY H H 1 8.274 . A 15 GLY HAy H 1 4.017 . A 15 GLY HAx H 1 3.850 . A 15 GLY CA C 13 47.074 . A 15 GLY N N 15 104.022 . A 16 HIS H H 1 7.925 . A 16 HIS HA H 1 4.537 . A 16 HIS HBy H 1 3.307 . A 16 HIS HBx H 1 2.825 . A 16 HIS HD2 H 1 7.263 . A 16 HIS CA C 13 58.425 . A 16 HIS CB C 13 28.800 . A 16 HIS N N 15 118.795 . A 17 LEU H H 1 8.258 . A 17 LEU HA H 1 4.167 . A 17 LEU HBy H 1 1.837 . A 17 LEU HBx H 1 1.583 . A 17 LEU HDx% H 1 0.880 . A 17 LEU HDy% H 1 0.863 . A 17 LEU CA C 13 57.077 . A 17 LEU CB C 13 42.417 . A 17 LEU CDx C 13 25.827 . A 17 LEU CDy C 13 26.079 . A 17 LEU N N 15 119.351 . A 18 ALA H H 1 8.383 . A 18 ALA HA H 1 4.017 . A 18 ALA HB% H 1 1.498 . A 18 ALA CA C 13 55.102 . A 18 ALA CB C 13 18.523 . A 18 ALA N N 15 121.147 . A 19 SER H H 1 7.967 . A 19 SER HA H 1 4.210 . A 19 SER HBx H 1 3.931 . A 19 SER CA C 13 60.731 . A 19 SER CB C 13 63.054 . A 19 SER N N 15 111.862 . A 20 LYS H H 1 7.812 . A 20 LYS HA H 1 4.232 . A 20 LYS HBx H 1 1.921 . A 20 LYS HDx H 1 1.675 . A 20 LYS HEx H 1 2.920 . A 20 LYS HGx H 1 1.458 . A 20 LYS CA C 13 57.367 . A 20 LYS CB C 13 32.745 . A 20 LYS CD C 13 28.822 . A 20 LYS CE C 13 42.113 . A 20 LYS CG C 13 24.837 . A 20 LYS N N 15 120.730 . A 21 VAL H H 1 7.858 . A 21 VAL HA H 1 3.953 . A 21 VAL HB H 1 2.131 . A 21 VAL HGx% H 1 0.988 . A 21 VAL HGy% H 1 0.944 . A 21 VAL CA C 13 64.044 . A 21 VAL CB C 13 32.484 . A 21 VAL CGx C 13 21.844 . A 21 VAL CGy C 13 21.844 . A 21 VAL N N 15 115.791 . A 22 MET H H 1 7.997 . A 22 MET HA H 1 4.381 . A 22 MET HBy H 1 2.144 . A 22 MET HBx H 1 2.037 . A 22 MET HGy H 1 2.641 . A 22 MET HGx H 1 2.538 . A 22 MET CA C 13 55.721 . A 22 MET CB C 13 33.148 . A 22 MET CG C 13 32.565 . A 22 MET N N 15 118.135 . 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 HA A 2 VAL HGx% 1.0 1.8 5.0 5 5 A 2 VAL HA A 2 VAL HGx% 1.0 1.8 3.4 6 6 A 2 VAL HB A 2 VAL HGx% 1.0 1.8 5.0 7 7 A 2 VAL HB A 2 VAL HGx% 1.0 1.8 3.4 8 8 A 2 VAL HA A 2 VAL HGy% 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 3.4 11 11 A 2 VAL HB A 2 VAL HGy% 1.0 1.8 5.0 12 12 A 2 VAL HA A 2 VAL H 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 5.0 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 3 VAL HB A 3 VAL HA 1.0 1.8 3.4 21 21 A 3 VAL HB A 3 VAL HA 1.0 1.8 3.4 22 22 A 3 VAL HA A 3 VAL HGx% 1.0 1.8 5.0 23 23 A 3 VAL HA A 3 VAL HGx% 1.0 1.8 3.4 24 24 A 3 VAL HB A 3 VAL HGx% 1.0 1.8 3.4 25 25 A 3 VAL HA A 3 VAL HGy% 1.0 1.8 5.0 26 26 A 3 VAL HA A 3 VAL HGy% 1.0 1.8 3.4 27 27 A 3 VAL HB A 3 VAL HGy% 1.0 1.8 5.0 28 28 A 3 VAL HB A 3 VAL HGy% 1.0 1.8 3.4 29 29 A 3 VAL HA A 3 VAL H 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 HB A 3 VAL H 1.0 1.8 2.8 32 32 A 3 VAL HB A 3 VAL H 1.0 1.8 2.8 33 33 A 3 VAL HGx% A 3 VAL H 1.0 1.8 5.0 34 34 A 3 VAL HGx% A 3 VAL H 1.0 1.8 5.0 35 35 A 3 VAL HGy% A 3 VAL H 1.0 1.8 5.0 36 36 A 4 ASP HBx A 4 ASP HA 1.0 1.8 3.4 37 37 A 4 ASP HBx A 4 ASP HA 1.0 1.8 5.0 38 38 A 4 ASP HA A 4 ASP HBy 1.0 1.8 3.4 39 39 A 4 ASP HA A 4 ASP HBy 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 HBx A 4 ASP H 1.0 1.8 3.4 43 43 A 4 ASP HBx A 4 ASP H 1.0 1.8 5.0 44 44 A 4 ASP HBy A 4 ASP H 1.0 1.8 5.0 45 45 A 4 ASP HBy A 4 ASP H 1.0 1.8 5.0 46 46 A 5 ILE HB A 5 ILE HA 1.0 1.8 5.0 47 47 A 5 ILE HB A 5 ILE HA 1.0 1.8 3.4 48 48 A 5 ILE HA A 5 ILE HD1% 1.0 1.8 5.0 49 49 A 5 ILE HA A 5 ILE HD1% 1.0 1.8 5.0 50 50 A 5 ILE HB A 5 ILE HD1% 1.0 1.8 5.0 51 51 A 5 ILE HB A 5 ILE HD1% 1.0 1.8 5.0 52 52 A 5 ILE HD1% A 5 ILE HG1x 1.0 1.8 5.0 53 53 A 5 ILE HD1% A 5 ILE HG1x 1.0 1.8 5.0 54 54 A 5 ILE HA A 5 ILE HG1y 1.0 1.8 3.4 55 55 A 5 ILE HD1% A 5 ILE HG1y 1.0 1.8 5.0 56 56 A 5 ILE HA A 5 ILE HG2% 1.0 1.8 5.0 57 57 A 5 ILE HA 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 HB A 5 ILE HG2% 1.0 1.8 3.4 60 60 A 5 ILE HG1x A 5 ILE HG2% 1.0 1.8 5.0 61 61 A 5 ILE HA A 5 ILE H 1.0 1.8 3.4 62 62 A 5 ILE HA A 5 ILE H 1.0 1.8 3.4 63 63 A 5 ILE HB A 5 ILE H 1.0 1.8 3.4 64 64 A 5 ILE HB A 5 ILE H 1.0 1.8 3.4 65 65 A 5 ILE HD1% 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 HG1x A 5 ILE H 1.0 1.8 5.0 68 68 A 5 ILE HG1y A 5 ILE H 1.0 1.8 5.0 69 69 A 5 ILE HG2% A 5 ILE H 1.0 1.8 5.0 70 70 A 5 ILE HG2% A 5 ILE H 1.0 1.8 5.0 71 71 A 6 LEU HBx A 6 LEU HA 1.0 1.8 5.0 72 72 A 6 LEU HBx A 6 LEU HA 1.0 1.8 3.4 73 73 A 6 LEU HBx A 6 LEU HBy 1.0 1.8 2.8 74 74 A 6 LEU HA A 6 LEU HDx% 1.0 1.8 5.0 75 75 A 6 LEU HBy A 6 LEU HDx% 1.0 1.8 5.0 76 76 A 6 LEU HA A 6 LEU HDy% 1.0 1.8 5.0 77 77 A 6 LEU HA A 6 LEU HDy% 1.0 1.8 3.4 78 78 A 6 LEU HA A 6 LEU HG 1.0 1.8 5.0 79 79 A 6 LEU HDx% A 6 LEU HG 1.0 1.8 3.4 80 80 A 6 LEU HDy% A 6 LEU HG 1.0 1.8 5.0 81 81 A 6 LEU HDy% A 6 LEU HG 1.0 1.8 3.4 82 82 A 6 LEU HA A 6 LEU H 1.0 1.8 2.8 83 83 A 6 LEU HA A 6 LEU H 1.0 1.8 5.0 84 84 A 6 LEU HBx A 6 LEU H 1.0 1.8 5.0 85 85 A 6 LEU HBy A 6 LEU H 1.0 1.8 3.4 86 86 A 6 LEU HDx% A 6 LEU H 1.0 1.8 5.0 87 87 A 6 LEU HDx% A 6 LEU H 1.0 1.8 5.0 88 88 A 6 LEU HDy% A 6 LEU H 1.0 1.8 5.0 89 89 A 6 LEU HG A 6 LEU H 1.0 1.8 2.8 90 90 A 6 LEU HG A 6 LEU H 1.0 1.8 3.4 91 91 A 7 LYS HBx A 7 LYS HA 1.0 1.8 3.4 92 92 A 7 LYS HBx A 7 LYS HA 1.0 1.8 3.4 93 93 A 7 LYS HA A 7 LYS HBy 1.0 1.8 3.4 94 94 A 7 LYS HA A 7 LYS HBy 1.0 1.8 3.4 95 95 A 7 LYS HA A 7 LYS HDx 1.0 2.4 3.4 96 96 A 7 LYS HA A 7 LYS HDx 1.0 2.4 3.4 97 97 A 7 LYS HBx A 7 LYS HDx 1.0 2.4 3.4 98 98 A 7 LYS HBx A 7 LYS HDx 1.0 1.8 2.8 99 99 A 7 LYS HBy A 7 LYS HDx 1.0 2.4 3.4 100 100 A 7 LYS HBy A 7 LYS HDx 1.0 2.4 3.4 101 101 A 7 LYS HBx A 7 LYS HEx 1.0 1.8 5.0 102 102 A 7 LYS HDx A 7 LYS HEx 1.0 1.8 3.4 103 103 A 7 LYS HDx A 7 LYS HEx 1.0 1.8 3.4 104 104 A 7 LYS HEx A 7 LYS HDy 1.0 1.8 3.4 105 105 A 7 LYS HEx A 7 LYS HGx 1.0 1.8 3.4 106 106 A 7 LYS HDx A 7 LYS HGy 1.0 2.4 3.4 107 107 A 7 LYS HDx A 7 LYS HGy 1.0 2.4 3.4 108 108 A 7 LYS HA A 7 LYS H 1.0 1.8 3.4 109 109 A 7 LYS HA A 7 LYS H 1.0 1.8 3.4 110 110 A 7 LYS HBx A 7 LYS H 1.0 1.8 3.4 111 111 A 7 LYS HBx A 7 LYS H 1.0 1.8 5.0 112 112 A 7 LYS HBy A 7 LYS H 1.0 1.8 5.0 113 113 A 7 LYS HBy A 7 LYS H 1.0 1.8 5.0 114 114 A 7 LYS HDx A 7 LYS H 1.0 1.8 3.4 115 115 A 7 LYS HDx A 7 LYS H 1.0 1.8 3.4 116 116 A 8 GLY HAx A 8 GLY HAy 1.0 1.8 2.8 117 117 A 8 GLY HAx A 8 GLY HAy 1.0 1.8 2.8 118 118 A 8 GLY HAx A 8 GLY H 1.0 1.8 2.8 119 119 A 8 GLY HAx A 8 GLY H 1.0 1.8 3.4 120 120 A 8 GLY HAy A 8 GLY H 1.0 1.8 2.8 121 121 A 8 GLY HAy A 8 GLY H 1.0 1.8 3.4 122 122 A 9 ALA HB% A 9 ALA HA 1.0 1.8 3.4 123 123 A 9 ALA HB% A 9 ALA HA 1.0 1.8 5.0 124 124 A 9 ALA HA A 9 ALA H 1.0 1.8 3.4 125 125 A 9 ALA HA A 9 ALA H 1.0 1.8 5.0 126 126 A 10 ALA HA A 10 ALA HB% 1.0 1.8 2.8 127 127 A 10 ALA HA A 10 ALA HB% 1.0 1.8 2.8 128 128 A 10 ALA HA A 10 ALA H 1.0 1.8 3.4 129 129 A 10 ALA HB% A 10 ALA H 1.0 1.8 2.8 130 130 A 10 ALA HB% A 10 ALA H 1.0 1.8 2.8 131 131 A 11 LYS HA A 11 LYS HBy 1.0 1.8 2.8 132 132 A 11 LYS HA A 11 LYS HBy 1.0 1.8 2.8 133 133 A 11 LYS HA A 11 LYS HDy 1.0 1.8 5.0 134 134 A 11 LYS HA A 11 LYS HDy 1.0 1.8 5.0 135 135 A 11 LYS HBy A 11 LYS HEy 1.0 1.8 5.0 136 136 A 11 LYS HA A 11 LYS HGx 1.0 1.8 5.0 137 137 A 11 LYS HA A 11 LYS HGx 1.0 1.8 5.0 138 138 A 11 LYS HBy A 11 LYS HGx 1.0 1.8 3.4 139 139 A 11 LYS HA A 11 LYS HGy 1.0 1.8 3.4 140 140 A 11 LYS HA A 11 LYS HGy 1.0 1.8 5.0 141 141 A 11 LYS HBy A 11 LYS HGy 1.0 1.8 3.4 142 142 A 11 LYS HEy A 11 LYS HGy 1.0 1.8 5.0 143 143 A 11 LYS HGx A 11 LYS HGy 1.0 1.8 2.8 144 144 A 11 LYS HGx A 11 LYS HGy 1.0 1.8 2.8 145 145 A 11 LYS HA A 11 LYS H 1.0 1.8 2.8 146 146 A 11 LYS HA A 11 LYS H 1.0 1.8 3.4 147 147 A 11 LYS HBy A 11 LYS H 1.0 1.8 2.8 148 148 A 11 LYS HBy A 11 LYS H 1.0 1.8 3.4 149 149 A 11 LYS HGx A 11 LYS H 1.0 1.8 5.0 150 150 A 11 LYS HGy A 11 LYS H 1.0 1.8 5.0 151 151 A 12 ASP HBx A 12 ASP HA 1.0 1.8 3.4 152 152 A 12 ASP HBx A 12 ASP HA 1.0 1.8 5.0 153 153 A 12 ASP HA A 12 ASP HBy 1.0 1.8 3.4 154 154 A 12 ASP HA A 12 ASP HBy 1.0 1.8 5.0 155 155 A 12 ASP HBx A 12 ASP HBy 1.0 1.8 2.8 156 156 A 12 ASP HBx A 12 ASP HBy 1.0 1.8 2.8 157 157 A 12 ASP HA A 12 ASP H 1.0 1.8 3.4 158 158 A 12 ASP HA A 12 ASP H 1.0 1.8 5.0 159 159 A 12 ASP HBx A 12 ASP H 1.0 1.8 3.4 160 160 A 12 ASP HBx A 12 ASP H 1.0 1.8 5.0 161 161 A 12 ASP HBy A 12 ASP H 1.0 1.8 3.4 162 162 A 12 ASP HBy A 12 ASP H 1.0 1.8 5.0 163 163 A 13 ILE HB A 13 ILE HA 1.0 1.8 5.0 164 164 A 13 ILE HB A 13 ILE HA 1.0 1.8 3.4 165 165 A 13 ILE HA A 13 ILE HD1% 1.0 1.8 5.0 166 166 A 13 ILE HA A 13 ILE HD1% 1.0 1.8 5.0 167 167 A 13 ILE HB A 13 ILE HD1% 1.0 1.8 5.0 168 168 A 13 ILE HA A 13 ILE HG1x 1.0 1.8 3.4 169 169 A 13 ILE HA A 13 ILE HG1x 1.0 1.8 5.0 170 170 A 13 ILE HA A 13 ILE HG1y 1.0 1.8 3.4 171 171 A 13 ILE HB A 13 ILE HG1y 1.0 1.8 5.0 172 172 A 13 ILE HG1x A 13 ILE HG1y 1.0 1.8 2.8 173 173 A 13 ILE HA A 13 ILE HG2% 1.0 1.8 5.0 174 174 A 13 ILE HA A 13 ILE HG2% 1.0 1.8 5.0 175 175 A 13 ILE HB A 13 ILE HG2% 1.0 1.8 3.4 176 176 A 13 ILE HA A 13 ILE H 1.0 1.8 5.0 177 177 A 13 ILE HA A 13 ILE H 1.0 1.8 3.4 178 178 A 13 ILE HB A 13 ILE H 1.0 1.8 3.4 179 179 A 13 ILE HB A 13 ILE H 1.0 1.8 2.8 180 180 A 13 ILE HD1% A 13 ILE H 1.0 1.8 5.0 181 181 A 13 ILE HD1% A 13 ILE H 1.0 1.8 5.0 182 182 A 13 ILE HG1x A 13 ILE H 1.0 1.8 3.4 183 183 A 13 ILE HG1y A 13 ILE H 1.0 1.8 5.0 184 184 A 13 ILE HG2% A 13 ILE H 1.0 1.8 5.0 185 185 A 13 ILE HG2% A 13 ILE H 1.0 1.8 5.0 186 186 A 14 ALA HA A 14 ALA HB% 1.0 1.8 3.4 187 187 A 14 ALA HA A 14 ALA HB% 1.0 1.8 3.4 188 188 A 14 ALA HA A 14 ALA H 1.0 1.8 3.4 189 189 A 14 ALA HA A 14 ALA H 1.0 1.8 3.4 190 190 A 14 ALA HB% A 14 ALA H 1.0 1.8 3.4 191 191 A 14 ALA HB% A 14 ALA H 1.0 1.8 3.4 192 192 A 15 GLY H A 15 GLY HAx 1.0 1.8 2.8 193 193 A 15 GLY H A 15 GLY HAx 1.0 1.8 3.4 194 194 A 15 GLY H A 15 GLY HAy 1.0 1.8 3.4 195 195 A 15 GLY H A 15 GLY HAy 1.0 1.8 3.4 196 196 A 16 HIS HBx A 16 HIS HA 1.0 1.8 2.8 197 197 A 16 HIS HA A 16 HIS HD2 1.0 1.8 5.0 198 198 A 16 HIS HBx A 16 HIS HD2 1.0 1.8 2.8 199 199 A 16 HIS HA A 16 HIS H 1.0 1.8 5.0 200 200 A 16 HIS HBx A 16 HIS H 1.0 1.8 2.8 201 201 A 16 HIS HBx A 16 HIS H 1.0 1.8 3.4 202 202 A 16 HIS H A 16 HIS HBy 1.0 1.8 5.0 203 203 A 16 HIS H A 16 HIS HBy 1.0 1.8 5.0 204 204 A 16 HIS HD2 A 16 HIS H 1.0 1.8 5.0 205 205 A 17 LEU HBx A 17 LEU HA 1.0 1.8 3.4 206 206 A 17 LEU HBx A 17 LEU HA 1.0 1.8 3.4 207 207 A 17 LEU HA A 17 LEU HBy 1.0 1.8 3.4 208 208 A 17 LEU HA A 17 LEU HBy 1.0 1.8 5.0 209 209 A 17 LEU HBx A 17 LEU HBy 1.0 1.8 2.8 210 210 A 17 LEU HBx A 17 LEU HBy 1.0 1.8 2.8 211 211 A 17 LEU HA A 17 LEU HDx% 1.0 1.8 3.4 212 212 A 17 LEU HBx A 17 LEU HDx% 1.0 1.8 2.8 213 213 A 17 LEU HBy A 17 LEU HDx% 1.0 1.8 5.0 214 214 A 17 LEU HBy A 17 LEU HDx% 1.0 1.8 5.0 215 215 A 17 LEU HA A 17 LEU HDy% 1.0 1.8 5.0 216 216 A 17 LEU HA A 17 LEU HDy% 1.0 1.8 5.0 217 217 A 17 LEU HBy A 17 LEU HDy% 1.0 1.8 5.0 218 218 A 17 LEU HA A 17 LEU H 1.0 1.8 3.4 219 219 A 17 LEU HA A 17 LEU H 1.0 1.8 5.0 220 220 A 17 LEU HBx A 17 LEU H 1.0 1.8 2.8 221 221 A 17 LEU HBx A 17 LEU H 1.0 1.8 2.8 222 222 A 17 LEU HBy A 17 LEU H 1.0 1.8 5.0 223 223 A 17 LEU HBy A 17 LEU H 1.0 1.8 5.0 224 224 A 17 LEU HDx% A 17 LEU H 1.0 1.8 5.0 225 225 A 18 ALA HA A 18 ALA HB% 1.0 1.8 2.8 226 226 A 18 ALA HA A 18 ALA HB% 1.0 1.8 2.8 227 227 A 18 ALA HA A 18 ALA H 1.0 1.8 2.8 228 228 A 18 ALA HA A 18 ALA H 1.0 1.8 2.8 229 229 A 18 ALA HB% A 18 ALA H 1.0 1.8 2.8 230 230 A 18 ALA HB% A 18 ALA H 1.0 1.8 5.0 231 231 A 19 SER HBy A 19 SER HA 1.0 1.8 2.8 232 232 A 19 SER HBy A 19 SER HA 1.0 1.8 2.8 233 233 A 19 SER HA A 19 SER H 1.0 1.8 2.8 234 234 A 19 SER HA A 19 SER H 1.0 1.8 3.4 235 235 A 19 SER HBy A 19 SER H 1.0 1.8 2.8 236 236 A 19 SER HBy A 19 SER H 1.0 1.8 5.0 237 237 A 20 LYS HA A 20 LYS HBy 1.0 1.8 2.8 238 238 A 20 LYS HA A 20 LYS HDy 1.0 1.8 5.0 239 239 A 20 LYS HA A 20 LYS HDy 1.0 1.8 5.0 240 240 A 20 LYS HBy A 20 LYS HEy 1.0 1.8 5.0 241 241 A 20 LYS HDy A 20 LYS HEy 1.0 1.8 3.4 242 242 A 20 LYS HA A 20 LYS HGy 1.0 2.4 3.4 243 243 A 20 LYS HA A 20 LYS HGy 1.0 1.8 3.4 244 244 A 20 LYS HBy A 20 LYS HGy 1.0 1.8 2.8 245 245 A 20 LYS HBy A 20 LYS HGy 1.0 1.8 2.8 246 246 A 20 LYS HDy A 20 LYS HGy 1.0 1.8 2.8 247 247 A 20 LYS HEy A 20 LYS HGy 1.0 1.8 5.0 248 248 A 20 LYS HA A 20 LYS H 1.0 1.8 2.8 249 249 A 20 LYS HA A 20 LYS H 1.0 1.8 5.0 250 250 A 20 LYS HBy A 20 LYS H 1.0 1.8 2.8 251 251 A 20 LYS HBy A 20 LYS H 1.0 1.8 2.8 252 252 A 20 LYS HBy A 20 LYS H 1.0 1.8 2.8 253 253 A 20 LYS HGy A 20 LYS H 1.0 1.8 3.4 254 254 A 20 LYS HGy A 20 LYS H 1.0 1.8 5.0 255 255 A 21 VAL HB A 21 VAL HA 1.0 1.8 3.4 256 256 A 21 VAL HB A 21 VAL HA 1.0 1.8 2.8 257 257 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 5.0 258 258 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 3.4 259 259 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 3.4 260 260 A 21 VAL HA A 21 VAL HGy% 1.0 1.8 5.0 261 261 A 21 VAL HA A 21 VAL HGy% 1.0 1.8 5.0 262 262 A 21 VAL HB A 21 VAL HGy% 1.0 1.8 3.4 263 263 A 21 VAL HA A 21 VAL H 1.0 1.8 3.4 264 264 A 21 VAL HA A 21 VAL H 1.0 1.8 3.4 265 265 A 21 VAL HB A 21 VAL H 1.0 1.8 2.8 266 266 A 21 VAL HB A 21 VAL H 1.0 1.8 3.4 267 267 A 21 VAL HGx% A 21 VAL H 1.0 1.8 5.0 268 268 A 21 VAL HGx% A 21 VAL H 1.0 1.8 5.0 269 269 A 21 VAL HGy% A 21 VAL H 1.0 1.8 5.0 270 270 A 21 VAL HGy% A 21 VAL H 1.0 1.8 5.0 271 271 A 22 MET HA A 22 MET HBx 1.0 1.8 5.0 272 272 A 22 MET HA A 22 MET HBx 1.0 1.8 3.4 273 273 A 22 MET HA A 22 MET HBy 1.0 1.8 5.0 274 274 A 22 MET HA A 22 MET HBy 1.0 1.8 5.0 275 275 A 22 MET HBx A 22 MET HBy 1.0 1.8 2.8 276 276 A 22 MET HBx A 22 MET HBy 1.0 1.8 2.8 277 277 A 22 MET HA A 22 MET HGx 1.0 1.8 5.0 278 278 A 22 MET HA A 22 MET HGx 1.0 1.8 5.0 279 279 A 22 MET HBx A 22 MET HGx 1.0 1.8 5.0 280 280 A 22 MET HBx A 22 MET HGx 1.0 1.8 5.0 281 281 A 22 MET HBy A 22 MET HGx 1.0 1.8 5.0 282 282 A 22 MET HBy A 22 MET HGx 1.0 1.8 5.0 283 283 A 22 MET HA A 22 MET HGy 1.0 1.8 5.0 284 284 A 22 MET HA A 22 MET HGy 1.0 1.8 5.0 285 285 A 22 MET HBx A 22 MET HGy 1.0 1.8 5.0 286 286 A 22 MET HBx A 22 MET HGy 1.0 1.8 5.0 287 287 A 22 MET HBy A 22 MET HGy 1.0 1.8 5.0 288 288 A 22 MET HBy A 22 MET HGy 1.0 1.8 5.0 289 289 A 22 MET HGx A 22 MET HGy 1.0 1.8 2.8 290 290 A 22 MET HGx A 22 MET HGy 1.0 1.8 2.8 291 291 A 22 MET HA A 22 MET H 1.0 1.8 3.4 292 292 A 22 MET HA A 22 MET H 1.0 1.8 5.0 293 293 A 22 MET HBx A 22 MET H 1.0 1.8 2.8 294 294 A 22 MET HBx A 22 MET H 1.0 1.8 3.4 295 295 A 22 MET HBy A 22 MET H 1.0 1.8 3.4 296 296 A 22 MET HBy A 22 MET H 1.0 1.8 3.4 297 297 A 22 MET HGx A 22 MET H 1.0 1.8 5.0 298 298 A 22 MET HGx A 22 MET H 1.0 1.8 5.0 299 299 A 22 MET HGy A 22 MET H 1.0 1.8 5.0 300 300 A 22 MET HGy A 22 MET H 1.0 1.8 5.0 301 301 A 1 GLY HAx A 2 VAL H 1.0 1.8 5.0 302 302 A 1 GLY HAx A 2 VAL H 1.0 1.8 5.0 303 303 A 1 GLY HAy A 2 VAL H 1.0 1.8 5.0 304 304 A 1 GLY HAy A 2 VAL H 1.0 1.8 5.0 305 305 A 2 VAL HA A 3 VAL H 1.0 1.8 5.0 306 306 A 2 VAL HA A 3 VAL H 1.0 1.8 5.0 307 307 A 2 VAL HB A 3 VAL H 1.0 1.8 5.0 308 308 A 2 VAL HB A 3 VAL H 1.0 1.8 5.0 309 309 A 2 VAL HGx% A 3 VAL H 1.0 1.8 5.0 310 310 A 2 VAL HGx% A 3 VAL H 1.0 1.8 3.4 311 311 A 2 VAL HGy% A 3 VAL H 1.0 1.8 5.0 312 312 A 2 VAL H A 3 VAL H 1.0 1.8 5.0 313 313 A 2 VAL H A 3 VAL H 1.0 1.8 5.0 314 314 A 3 VAL HA A 4 ASP H 1.0 1.8 5.0 315 315 A 3 VAL HA A 4 ASP H 1.0 1.8 5.0 316 316 A 3 VAL HB A 4 ASP H 1.0 1.8 3.4 317 317 A 3 VAL HB A 4 ASP H 1.0 1.8 5.0 318 318 A 3 VAL HGx% A 4 ASP H 1.0 1.8 5.0 319 319 A 3 VAL HGx% A 4 ASP H 1.0 1.8 5.0 320 320 A 3 VAL HGy% A 4 ASP H 1.0 1.8 5.0 321 321 A 3 VAL HGy% A 4 ASP H 1.0 1.8 5.0 322 322 A 3 VAL H A 4 ASP H 1.0 1.8 5.0 323 323 A 3 VAL H A 4 ASP H 1.0 1.8 3.4 324 324 A 4 ASP HA A 5 ILE H 1.0 1.8 5.0 325 325 A 4 ASP HA A 5 ILE H 1.0 1.8 5.0 326 326 A 4 ASP HBx A 5 ILE H 1.0 1.8 5.0 327 327 A 4 ASP HBx A 5 ILE H 1.0 1.8 5.0 328 328 A 4 ASP HBy A 5 ILE H 1.0 1.8 5.0 329 329 A 4 ASP HBy A 5 ILE H 1.0 1.8 5.0 330 330 A 4 ASP H A 5 ILE H 1.0 1.8 3.4 331 331 A 4 ASP H A 5 ILE H 1.0 1.8 3.4 332 332 A 5 ILE HA A 6 LEU H 1.0 1.8 5.0 333 333 A 5 ILE HA A 6 LEU H 1.0 1.8 5.0 334 334 A 5 ILE HB A 6 LEU H 1.0 1.8 5.0 335 335 A 5 ILE HB A 6 LEU H 1.0 1.8 5.0 336 336 A 5 ILE HG1x A 6 LEU H 1.0 1.8 5.0 337 337 A 5 ILE HG2% A 6 LEU H 1.0 1.8 5.0 338 338 A 5 ILE HG2% A 6 LEU H 1.0 1.8 5.0 339 339 A 5 ILE H A 6 LEU H 1.0 1.8 5.0 340 340 A 5 ILE H A 6 LEU H 1.0 1.8 5.0 341 341 A 6 LEU HA A 7 LYS H 1.0 1.8 5.0 342 342 A 6 LEU HA A 7 LYS H 1.0 1.8 5.0 343 343 A 6 LEU HBy A 7 LYS H 1.0 1.8 5.0 344 344 A 6 LEU HDy% A 7 LYS H 1.0 1.8 5.0 345 345 A 6 LEU H A 7 LYS H 1.0 1.8 5.0 346 346 A 6 LEU H A 7 LYS H 1.0 1.8 5.0 347 347 A 7 LYS HBx A 8 GLY H 1.0 1.8 5.0 348 348 A 7 LYS HBx A 8 GLY H 1.0 1.8 5.0 349 349 A 7 LYS HBy A 8 GLY H 1.0 1.8 5.0 350 350 A 7 LYS HBy A 8 GLY H 1.0 1.8 5.0 351 351 A 7 LYS HDx A 8 GLY H 1.0 1.8 5.0 352 352 A 7 LYS H A 8 GLY H 1.0 1.8 5.0 353 353 A 7 LYS H A 8 GLY H 1.0 1.8 5.0 354 354 A 8 GLY HAx A 9 ALA H 1.0 1.8 3.4 355 355 A 8 GLY HAx A 9 ALA H 1.0 1.8 5.0 356 356 A 8 GLY HAy A 9 ALA H 1.0 1.8 3.4 357 357 A 8 GLY HAy A 9 ALA H 1.0 1.8 5.0 358 358 A 8 GLY H A 9 ALA H 1.0 1.8 3.4 359 359 A 8 GLY H A 9 ALA H 1.0 1.8 3.4 360 360 A 9 ALA HA A 10 ALA H 1.0 1.8 5.0 361 361 A 9 ALA HA A 10 ALA H 1.0 1.8 5.0 362 362 A 9 ALA H A 10 ALA H 1.0 1.8 3.4 363 363 A 9 ALA H A 10 ALA H 1.0 1.8 3.4 364 364 A 10 ALA HB% A 11 LYS H 1.0 1.8 5.0 365 365 A 10 ALA HB% A 11 LYS H 1.0 1.8 5.0 366 366 A 10 ALA H A 11 LYS H 1.0 1.8 5.0 367 367 A 10 ALA H A 11 LYS H 1.0 1.8 3.4 368 368 A 11 LYS HA A 12 ASP H 1.0 1.8 5.0 369 369 A 11 LYS HBy A 12 ASP H 1.0 1.8 3.4 370 370 A 11 LYS HGx A 12 ASP H 1.0 1.8 5.0 371 371 A 11 LYS HGy A 12 ASP H 1.0 1.8 5.0 372 372 A 12 ASP HA A 13 ILE H 1.0 1.8 5.0 373 373 A 12 ASP HA A 13 ILE H 1.0 1.8 5.0 374 374 A 12 ASP HBx A 13 ILE H 1.0 1.8 5.0 375 375 A 12 ASP HBx A 13 ILE H 1.0 1.8 5.0 376 376 A 12 ASP HBy A 13 ILE H 1.0 1.8 5.0 377 377 A 12 ASP HBy A 13 ILE H 1.0 1.8 5.0 378 378 A 12 ASP H A 13 ILE H 1.0 1.8 5.0 379 379 A 12 ASP H A 13 ILE H 1.0 1.8 5.0 380 380 A 13 ILE HA A 14 ALA H 1.0 1.8 5.0 381 381 A 13 ILE HB A 14 ALA H 1.0 1.8 3.4 382 382 A 13 ILE HD1% A 14 ALA H 1.0 1.8 5.0 383 383 A 13 ILE HG1x A 14 ALA H 1.0 1.8 5.0 384 384 A 13 ILE HG1y A 14 ALA H 1.0 1.8 5.0 385 385 A 13 ILE HG2% A 14 ALA H 1.0 1.8 5.0 386 386 A 14 ALA HA A 15 GLY H 1.0 1.8 5.0 387 387 A 14 ALA HB% A 15 GLY H 1.0 1.8 5.0 388 388 A 14 ALA HB% A 15 GLY H 1.0 1.8 5.0 389 389 A 14 ALA H A 15 GLY H 1.0 1.8 5.0 390 390 A 14 ALA H A 15 GLY H 1.0 1.8 5.0 391 391 A 15 GLY HAx A 16 HIS H 1.0 1.8 5.0 392 392 A 15 GLY HAy A 16 HIS H 1.0 1.8 5.0 393 393 A 16 HIS HA A 17 LEU H 1.0 1.8 5.0 394 394 A 16 HIS HBx A 17 LEU H 1.0 1.8 5.0 395 395 A 16 HIS HBx A 17 LEU H 1.0 1.8 5.0 396 396 A 16 HIS H A 17 LEU H 1.0 1.8 3.4 397 397 A 16 HIS H A 17 LEU H 1.0 1.8 3.4 398 398 A 17 LEU HA A 18 ALA H 1.0 1.8 5.0 399 399 A 17 LEU HA A 18 ALA H 1.0 1.8 5.0 400 400 A 17 LEU HBx A 18 ALA H 1.0 1.8 3.4 401 401 A 17 LEU HBx A 18 ALA H 1.0 1.8 5.0 402 402 A 17 LEU HBy A 18 ALA H 1.0 1.8 5.0 403 403 A 17 LEU HBy A 18 ALA H 1.0 1.8 5.0 404 404 A 17 LEU HDx% A 18 ALA H 1.0 1.8 5.0 405 405 A 17 LEU H A 18 ALA H 1.0 1.8 3.4 406 406 A 17 LEU H A 18 ALA H 1.0 1.8 3.4 407 407 A 18 ALA HA A 19 SER H 1.0 1.8 3.4 408 408 A 18 ALA HA A 19 SER H 1.0 1.8 5.0 409 409 A 18 ALA HB% A 19 SER H 1.0 1.8 5.0 410 410 A 18 ALA H A 19 SER H 1.0 1.8 3.4 411 411 A 18 ALA H A 19 SER H 1.0 1.8 3.4 412 412 A 19 SER HA A 20 LYS H 1.0 1.8 5.0 413 413 A 19 SER HBy A 20 LYS H 1.0 1.8 5.0 414 414 A 19 SER HBy A 20 LYS H 1.0 1.8 5.0 415 415 A 19 SER H A 20 LYS H 1.0 1.8 3.4 416 416 A 19 SER H A 20 LYS H 1.0 1.8 3.4 417 417 A 20 LYS HA A 21 VAL H 1.0 1.8 3.4 418 418 A 20 LYS HA A 21 VAL H 1.0 1.8 5.0 419 419 A 20 LYS HBy A 21 VAL H 1.0 1.8 3.4 420 420 A 20 LYS HBy A 21 VAL H 1.0 1.8 3.4 421 421 A 20 LYS HGy A 21 VAL H 1.0 1.8 5.0 422 422 A 20 LYS H A 21 VAL H 1.0 1.8 2.8 423 423 A 20 LYS H A 21 VAL H 1.0 1.8 2.8 424 424 A 21 VAL HA A 22 MET H 1.0 1.8 3.4 425 425 A 21 VAL HA A 22 MET H 1.0 1.8 3.4 426 426 A 21 VAL HGx% A 22 MET H 1.0 1.8 5.0 427 427 A 21 VAL HGx% A 22 MET H 1.0 1.8 5.0 428 428 A 21 VAL HGy% A 22 MET H 1.0 1.8 5.0 429 429 A 21 VAL HGy% A 22 MET H 1.0 1.8 5.0 430 430 A 21 VAL H A 22 MET H 1.0 1.8 2.8 431 431 A 21 VAL H A 22 MET H 1.0 1.8 2.8 432 432 A 1 GLY HAx A 3 VAL H 1.0 1.8 5.0 433 433 A 1 GLY HAy A 3 VAL H 1.0 1.8 5.0 434 434 A 2 VAL HA A 4 ASP H 1.0 1.8 5.0 435 435 A 2 VAL HA A 4 ASP H 1.0 1.8 5.0 436 436 A 2 VAL HA A 5 ILE HB 1.0 1.8 3.4 437 437 A 2 VAL HA A 5 ILE HB 1.0 1.8 5.0 438 438 A 2 VAL HA A 5 ILE HD1% 1.0 1.8 5.0 439 439 A 2 VAL HA A 5 ILE HD1% 1.0 1.8 5.0 440 440 A 2 VAL HA A 5 ILE HG2% 1.0 1.8 5.0 441 441 A 2 VAL HA A 5 ILE H 1.0 1.8 5.0 442 442 A 2 VAL HA A 5 ILE H 1.0 1.8 5.0 443 443 A 3 VAL HA A 5 ILE H 1.0 1.8 5.0 444 444 A 3 VAL HA A 5 ILE H 1.0 1.8 5.0 445 445 A 2 VAL HA A 6 LEU H 1.0 1.8 5.0 446 446 A 2 VAL HA A 6 LEU H 1.0 1.8 5.0 447 447 A 3 VAL HA A 6 LEU HBx 1.0 1.8 5.0 448 448 A 3 VAL HA A 6 LEU HBx 1.0 1.8 5.0 449 449 A 3 VAL HA A 6 LEU HBy 1.0 1.8 5.0 450 450 A 3 VAL HA A 6 LEU HG 1.0 1.8 5.0 451 451 A 3 VAL HA A 6 LEU H 1.0 1.8 5.0 452 452 A 3 VAL HA A 6 LEU H 1.0 1.8 5.0 453 453 A 4 ASP HA A 6 LEU H 1.0 1.8 5.0 454 454 A 3 VAL HA A 7 LYS H 1.0 1.8 5.0 455 455 A 3 VAL HA A 7 LYS H 1.0 1.8 5.0 456 456 A 4 ASP HA A 7 LYS HBx 1.0 1.8 5.0 457 457 A 4 ASP HA A 7 LYS HBx 1.0 1.8 5.0 458 458 A 4 ASP HA A 7 LYS HBy 1.0 1.8 5.0 459 459 A 4 ASP HA A 7 LYS HDx 1.0 1.8 5.0 460 460 A 4 ASP HA A 7 LYS H 1.0 1.8 5.0 461 461 A 4 ASP HA A 7 LYS H 1.0 1.8 5.0 462 462 A 5 ILE HA A 7 LYS H 1.0 1.8 5.0 463 463 A 4 ASP HA A 8 GLY H 1.0 1.8 5.0 464 464 A 6 LEU HA A 10 ALA H 1.0 1.8 5.0 465 465 A 6 LEU HA A 10 ALA H 1.0 1.8 5.0 466 466 A 7 LYS HA A 10 ALA H 1.0 1.8 5.0 467 467 A 7 LYS HBx A 10 ALA H 1.0 1.8 5.0 468 468 A 8 GLY HAx A 10 ALA H 1.0 3.4 5.0 469 469 A 8 GLY HAy A 10 ALA H 1.0 1.8 5.0 470 470 A 7 LYS HA A 11 LYS H 1.0 1.8 5.0 471 471 A 9 ALA HA A 11 LYS H 1.0 1.8 5.0 472 472 A 9 ALA HA A 12 ASP HBx 1.0 1.8 5.0 473 473 A 9 ALA HA A 12 ASP HBx 1.0 1.8 5.0 474 474 A 9 ALA HA A 12 ASP HBy 1.0 1.8 5.0 475 475 A 9 ALA HA A 12 ASP HBy 1.0 1.8 5.0 476 476 A 9 ALA HA A 12 ASP H 1.0 1.8 5.0 477 477 A 9 ALA HA A 12 ASP H 1.0 1.8 5.0 478 478 A 9 ALA HA A 13 ILE H 1.0 1.8 5.0 479 479 A 9 ALA HA A 13 ILE H 1.0 1.8 5.0 480 480 A 10 ALA HA A 13 ILE HD1% 1.0 1.8 5.0 481 481 A 10 ALA HA A 13 ILE HG2% 1.0 1.8 5.0 482 482 A 10 ALA HA A 13 ILE H 1.0 1.8 5.0 483 483 A 11 LYS HA A 13 ILE H 1.0 1.8 5.0 484 484 A 11 LYS HA A 14 ALA H 1.0 1.8 5.0 485 485 A 11 LYS HA A 15 GLY H 1.0 1.8 5.0 486 486 A 12 ASP HA A 15 GLY H 1.0 1.8 5.0 487 487 A 13 ILE HA A 15 GLY H 1.0 1.8 5.0 488 488 A 13 ILE HA A 15 GLY H 1.0 1.8 5.0 489 489 A 13 ILE HA A 16 HIS HBx 1.0 1.8 5.0 490 490 A 13 ILE HA A 16 HIS HD2 1.0 1.8 3.4 491 491 A 13 ILE HA A 16 HIS HD2 1.0 1.8 5.0 492 492 A 13 ILE HA A 16 HIS H 1.0 1.8 5.0 493 493 A 13 ILE HA A 16 HIS H 1.0 1.8 5.0 494 494 A 13 ILE HA A 16 HIS H 1.0 1.8 5.0 495 495 A 13 ILE HA A 17 LEU H 1.0 1.8 5.0 496 496 A 14 ALA HA A 17 LEU HBx 1.0 1.8 3.4 497 497 A 14 ALA HA A 18 ALA H 1.0 1.8 5.0 498 498 A 16 HIS HA A 18 ALA H 1.0 1.8 5.0 499 499 A 15 GLY HAy A 19 SER H 1.0 1.8 5.0 500 500 A 16 HIS HA A 19 SER H 1.0 1.8 5.0 501 501 A 17 LEU HA A 20 LYS HBy 1.0 1.8 5.0 502 502 A 17 LEU HA A 20 LYS HBy 1.0 1.8 5.0 503 503 A 17 LEU HA A 20 LYS H 1.0 1.8 5.0 504 504 A 17 LEU HA A 20 LYS H 1.0 1.8 5.0 505 505 A 18 ALA HA A 20 LYS H 1.0 1.8 5.0 506 506 A 18 ALA HA A 20 LYS H 1.0 1.8 5.0 507 507 A 18 ALA HA A 21 VAL HB 1.0 1.8 5.0 508 508 A 18 ALA HA A 21 VAL HB 1.0 1.8 5.0 509 509 A 18 ALA HA A 21 VAL HGx% 1.0 1.8 5.0 510 510 A 18 ALA HA A 21 VAL HGx% 1.0 1.8 5.0 511 511 A 18 ALA HA A 21 VAL H 1.0 1.8 5.0 512 512 A 18 ALA HA A 21 VAL H 1.0 1.8 5.0 513 513 A 18 ALA HA A 22 MET H 1.0 1.8 5.0 514 514 A 19 SER HA A 22 MET HBy 1.0 1.8 5.0 515 515 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 -70.26 -52.50 PHI 2 2 A 2 VAL C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -71.75 -52.55 PHI 3 3 A 3 VAL C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -69.42 -52.54 PHI 4 4 A 4 ASP C A 5 ILE N A 5 ILE CA A 5 ILE C 1.0 -84.36 -52.00 PHI 5 5 A 5 ILE C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -71.69 -57.29 PHI 6 6 A 6 LEU C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -73.04 -51.80 PHI 7 7 A 7 LYS C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 -72.09 -50.37 PHI 8 8 A 8 GLY C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -75.01 -47.87 PHI 9 9 A 9 ALA C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -71.09 -55.19 PHI 10 10 A 10 ALA C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -66.82 -55.12 PHI 11 11 A 11 LYS C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -75.44 -56.28 PHI 12 12 A 12 ASP C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -77.73 -53.23 PHI 13 13 A 13 ILE C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -72.00 -48.40 PHI 14 14 A 14 ALA C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 -92.42 -39.62 PHI 15 15 A 15 GLY C A 16 HIS N A 16 HIS CA A 16 HIS C 1.0 -75.40 -53.30 PHI 16 16 A 16 HIS C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -101.60 -34.30 PHI 17 17 A 17 LEU C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -75.05 -51.93 PHI 18 18 A 18 ALA C A 19 SER N A 19 SER CA A 19 SER C 1.0 -75.75 -54.47 PHI 19 19 A 19 SER C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -97.49 -51.71 PHI 20 20 A 20 LYS C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -116.79 -29.81 PHI 21 21 A 2 VAL N A 2 VAL CA A 2 VAL C A 3 VAL N 1.0 -60.61 -27.63 PSI 22 22 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 ASP N 1.0 -57.11 -29.79 PSI 23 23 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 ILE N 1.0 -62.06 -20.64 PSI 24 24 A 5 ILE N A 5 ILE CA A 5 ILE C A 6 LEU N 1.0 -57.80 -32.58 PSI 25 25 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 LYS N 1.0 -51.28 -30.80 PSI 26 26 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 GLY N 1.0 -54.36 -32.88 PSI 27 27 A 8 GLY N A 8 GLY CA A 8 GLY C A 9 ALA N 1.0 -59.43 -25.69 PSI 28 28 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 ALA N 1.0 -64.62 -24.62 PSI 29 29 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 LYS N 1.0 -52.17 -32.29 PSI 30 30 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 ASP N 1.0 -52.27 -38.75 PSI 31 31 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 ILE N 1.0 -53.92 -25.92 PSI 32 32 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 ALA N 1.0 -53.39 -36.43 PSI 33 33 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 GLY N 1.0 -59.86 -21.70 PSI 34 34 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 HIS N 1.0 -60.58 -15.66 PSI 35 35 A 16 HIS N A 16 HIS CA A 16 HIS C A 17 LEU N 1.0 -60.85 -15.19 PSI 36 36 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 ALA N 1.0 -70.65 2.63 PSI 37 37 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 SER N 1.0 -57.04 -13.88 PSI 38 38 A 19 SER N A 19 SER CA A 19 SER C A 20 LYS N 1.0 -66.03 -8.27 PSI 39 39 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 VAL N 1.0 -83.74 30.80 PSI 40 40 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 MET N 1.0 -59.47 -15.89 PSI stop_ save_