data_nef_c34074_5mmk 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 34075 PDB 5MMK 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 16 LYS C 1 17 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 ILE middle . . 3 A 3 LEU middle . . 4 A 4 SER middle . . 5 A 5 SER middle . . 6 A 6 LEU middle . . 7 A 7 TRP middle . . 8 A 8 LYS middle . . 9 A 9 LYS middle . . 10 A 10 LEU middle . . 11 A 11 LYS middle . . 12 A 12 LYS middle . . 13 A 13 ILE middle . . 14 A 14 ILE middle . . 15 A 15 ALA middle . . 16 A 16 LYS middle -OXT . 17 A 17 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 4.014 0.000 A 1 GLY HAx H 1 3.936 0.006 A 1 GLY C C 13 171.253 0.000 A 1 GLY CA C 13 43.406 0.000 A 2 ILE H H 1 8.628 0.002 A 2 ILE HA H 1 4.107 0.001 A 2 ILE HB H 1 1.894 0.000 A 2 ILE HD1% H 1 0.938 0.000 A 2 ILE HG1y H 1 1.571 0.000 A 2 ILE HG1x H 1 1.288 0.001 A 2 ILE HG2% H 1 0.983 0.000 A 2 ILE C C 13 176.777 0.000 A 2 ILE CA C 13 63.457 0.000 A 2 ILE CB C 13 38.583 0.000 A 2 ILE CD1 C 13 12.608 0.000 A 2 ILE CG1 C 13 24.773 0.000 A 2 ILE CG2 C 13 16.857 0.000 A 2 ILE N N 15 120.901 0.000 A 3 LEU H H 1 8.086 0.003 A 3 LEU HA H 1 4.222 0.001 A 3 LEU HBy H 1 1.660 0.000 A 3 LEU HBx H 1 1.537 0.000 A 3 LEU HDx% H 1 0.964 0.000 A 3 LEU HDy% H 1 0.882 0.000 A 3 LEU HG H 1 1.656 0.000 A 3 LEU CA C 13 57.566 0.000 A 3 LEU CB C 13 41.324 0.015 A 3 LEU CG C 13 26.963 0.000 A 3 LEU N N 15 120.933 0.000 A 4 SER H H 1 8.064 0.002 A 4 SER HA H 1 4.267 0.002 A 4 SER HBy H 1 4.075 0.002 A 4 SER HBx H 1 3.999 0.000 A 4 SER C C 13 176.766 0.000 A 4 SER CA C 13 61.434 0.000 A 4 SER CB C 13 62.894 0.000 A 4 SER N N 15 113.235 0.000 A 5 SER H H 1 8.009 0.003 A 5 SER HA H 1 4.367 0.001 A 5 SER HBy H 1 4.085 0.000 A 5 SER HBx H 1 3.988 0.000 A 5 SER C C 13 175.945 0.000 A 5 SER CA C 13 61.738 0.000 A 5 SER CB C 13 62.823 0.000 A 5 SER N N 15 117.047 0.000 A 6 LEU H H 1 8.030 0.003 A 6 LEU HA H 1 4.207 0.002 A 6 LEU HBx H 1 1.778 0.000 A 6 LEU HBy H 1 1.778 0.000 A 6 LEU HDx% H 1 0.938 0.000 A 6 LEU HDy% H 1 0.872 0.000 A 6 LEU HG H 1 1.690 0.000 A 6 LEU CA C 13 57.942 0.000 A 6 LEU CB C 13 41.896 0.000 A 6 LEU N N 15 123.666 0.000 A 7 TRP H H 1 8.323 0.003 A 7 TRP HA H 1 4.476 0.001 A 7 TRP HBx H 1 3.398 0.002 A 7 TRP HBy H 1 3.398 0.002 A 7 TRP HD1 H 1 7.193 0.003 A 7 TRP HE1 H 1 9.729 0.004 A 7 TRP HE3 H 1 7.557 0.002 A 7 TRP HH2 H 1 7.191 0.000 A 7 TRP HZ2 H 1 7.447 0.001 A 7 TRP HZ3 H 1 7.061 0.003 A 7 TRP CA C 13 60.244 0.000 A 7 TRP CB C 13 29.145 0.000 A 7 TRP CD1 C 13 126.129 0.000 A 7 TRP CD2 C 13 129.720 0.000 A 7 TRP CE2 C 13 129.741 0.000 A 7 TRP CE3 C 13 120.742 0.000 A 7 TRP CG C 13 111.878 0.000 A 7 TRP CH2 C 13 124.330 0.000 A 7 TRP CZ2 C 13 114.267 0.000 A 7 TRP CZ3 C 13 121.597 0.000 A 7 TRP N N 15 118.743 0.000 A 7 TRP NE1 N 15 126.199 0.000 A 8 LYS H H 1 7.793 0.002 A 8 LYS HA H 1 3.845 0.002 A 8 LYS HBy H 1 1.962 0.000 A 8 LYS HBx H 1 1.921 0.000 A 8 LYS HDx H 1 1.753 0.000 A 8 LYS HDy H 1 1.753 0.000 A 8 LYS HEx H 1 3.028 0.000 A 8 LYS HEy H 1 3.028 0.000 A 8 LYS HGy H 1 1.674 0.000 A 8 LYS HGx H 1 1.418 0.000 A 8 LYS C C 13 178.725 0.000 A 8 LYS CA C 13 60.047 0.000 A 8 LYS N N 15 116.208 0.000 A 9 LYS H H 1 7.606 0.003 A 9 LYS HA H 1 4.097 0.000 A 9 LYS HBx H 1 2.018 0.000 A 9 LYS HBy H 1 2.018 0.000 A 9 LYS HDx H 1 1.694 0.000 A 9 LYS HDy H 1 1.694 0.000 A 9 LYS HGy H 1 1.637 0.000 A 9 LYS HGx H 1 1.449 0.000 A 9 LYS CA C 13 59.233 0.000 A 9 LYS N N 15 118.349 0.000 A 10 LEU H H 1 8.450 0.002 A 10 LEU HA H 1 4.098 0.001 A 10 LEU HBy H 1 1.791 0.000 A 10 LEU HBx H 1 1.580 0.004 A 10 LEU HDx% H 1 0.870 0.001 A 10 LEU HDy% H 1 0.870 0.001 A 10 LEU HG H 1 1.780 0.000 A 10 LEU CA C 13 57.794 0.000 A 10 LEU CB C 13 41.887 0.000 A 10 LEU CDx C 13 22.794 0.000 A 10 LEU CG C 13 26.812 0.000 A 10 LEU N N 15 119.189 0.000 A 11 LYS H H 1 8.185 0.002 A 11 LYS HA H 1 3.793 0.002 A 11 LYS HBy H 1 1.673 0.000 A 11 LYS HBx H 1 1.622 0.000 A 11 LYS HDx H 1 1.548 0.000 A 11 LYS HDy H 1 1.548 0.000 A 11 LYS HGx H 1 1.313 0.000 A 11 LYS HGy H 1 1.313 0.000 A 11 LYS C C 13 178.410 0.000 A 11 LYS CA C 13 59.470 0.000 A 11 LYS N N 15 116.882 0.000 A 12 LYS H H 1 7.442 0.003 A 12 LYS HA H 1 4.082 0.002 A 12 LYS HBx H 1 1.998 0.000 A 12 LYS HBy H 1 1.998 0.000 A 12 LYS HDx H 1 1.733 0.000 A 12 LYS HDy H 1 1.733 0.000 A 12 LYS HGy H 1 1.633 0.000 A 12 LYS HGx H 1 1.474 0.000 A 12 LYS C C 13 178.183 0.000 A 12 LYS CA C 13 58.951 0.000 A 12 LYS N N 15 117.177 0.000 A 13 ILE H H 1 7.815 0.003 A 13 ILE HA H 1 3.828 0.002 A 13 ILE HB H 1 2.058 0.001 A 13 ILE HD1% H 1 0.875 0.000 A 13 ILE HG1y H 1 1.755 0.000 A 13 ILE HG1x H 1 1.178 0.000 A 13 ILE HG2% H 1 0.936 0.000 A 13 ILE CA C 13 64.467 0.000 A 13 ILE CB C 13 38.517 0.000 A 13 ILE N N 15 119.108 0.000 A 14 ILE H H 1 8.303 0.002 A 14 ILE HA H 1 3.867 0.002 A 14 ILE HB H 1 1.901 0.000 A 14 ILE HD1% H 1 0.854 0.000 A 14 ILE HG1y H 1 1.657 0.000 A 14 ILE HG1x H 1 1.235 0.000 A 14 ILE HG2% H 1 0.953 0.000 A 14 ILE C C 13 177.938 0.000 A 14 ILE CA C 13 63.887 0.000 A 14 ILE CD1 C 13 12.585 0.000 A 14 ILE CG2 C 13 16.810 0.000 A 14 ILE N N 15 119.590 0.000 A 15 ALA H H 1 7.878 0.004 A 15 ALA HA H 1 4.244 0.001 A 15 ALA HB% H 1 1.508 0.001 A 15 ALA C C 13 178.352 0.000 A 15 ALA CA C 13 53.639 0.000 A 15 ALA CB C 13 18.551 0.000 A 15 ALA N N 15 121.727 0.000 A 16 LYS H H 1 7.722 0.002 A 16 LYS HA H 1 4.233 0.002 A 16 LYS HBx H 1 1.968 0.000 A 16 LYS HBy H 1 1.968 0.000 A 16 LYS HDx H 1 1.749 0.000 A 16 LYS HDy H 1 1.749 0.000 A 16 LYS HEx H 1 3.047 0.000 A 16 LYS HEy H 1 3.047 0.000 A 16 LYS HGy H 1 1.600 0.000 A 16 LYS HGx H 1 1.568 0.000 A 16 LYS CA C 13 56.684 0.000 A 16 LYS N N 15 117.914 0.000 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 2 ILE H 1.0 0.0 3.49 2 2 A 2 ILE H A 1 GLY HAy 1.0 0.0 3.49 3 3 A 2 ILE H A 2 ILE HB 1.0 0.0 3.62 4 4 A 2 ILE H A 2 ILE HG1x 1.0 0.0 4.12 5 5 A 2 ILE H A 2 ILE HG1y 1.0 0.0 4.12 6 6 A 2 ILE H A 2 ILE HG2% 1.0 0.0 3.87 7 7 A 2 ILE H A 3 LEU H 1.0 0.0 3.52 8 8 A 2 ILE HB A 3 LEU H 1.0 0.0 3.94 9 9 A 3 LEU H A 3 LEU HBy 1.0 0.0 3.86 10 10 A 3 LEU H A 3 LEU HBx 1.0 0.0 3.86 11 11 A 2 ILE HG2% A 3 LEU H 1.0 0.0 4.37 12 12 A 3 LEU H A 3 LEU HDy% 1.0 0.0 4.88 13 13 A 3 LEU H A 3 LEU HDx% 1.0 0.0 4.69 14 14 A 3 LEU HDx% A 4 SER H 1.0 0.0 5.12 15 15 A 10 LEU H A 10 LEU HG 1.0 0.0 3.16 16 16 A 10 LEU H A 10 LEU HDx% 1.0 0.0 3.68 17 16 A 10 LEU H A 10 LEU HDy% 1.0 0.0 3.68 18 17 A 10 LEU H A 9 LYS HBx 1.0 0.0 3.35 19 17 A 10 LEU H A 9 LYS HBy 1.0 0.0 3.35 20 18 A 10 LEU H A 8 LYS HA 1.0 0.0 5.05 21 19 A 10 LEU H A 6 LEU HA 1.0 0.0 4.60 22 20 A 10 LEU H A 7 TRP HA 1.0 0.0 3.90 23 21 A 10 LEU H A 11 LYS H 1.0 0.0 3.32 24 22 A 10 LEU H A 8 LYS H 1.0 0.0 4.84 25 23 A 10 LEU H A 9 LYS H 1.0 0.0 3.13 26 24 A 10 LEU H A 12 LYS H 1.0 0.0 4.81 27 25 A 7 TRP H A 7 TRP HBx 1.0 0.0 3.06 28 25 A 7 TRP H A 7 TRP HBy 1.0 0.0 3.06 29 26 A 7 TRP H A 5 SER HA 1.0 0.0 4.98 30 27 A 7 TRP H A 4 SER HA 1.0 0.0 4.00 31 28 A 7 TRP H A 6 LEU H 1.0 0.0 3.22 32 29 A 8 LYS H A 7 TRP H 1.0 0.0 3.84 33 30 A 9 LYS H A 7 TRP H 1.0 0.0 4.98 34 31 A 7 TRP H A 7 TRP HE3 1.0 0.0 5.23 35 32 A 7 TRP H A 7 TRP HD1 1.0 0.0 4.88 36 33 A 7 TRP H A 6 LEU HBx 1.0 0.0 3.41 37 33 A 7 TRP H A 6 LEU HBy 1.0 0.0 3.41 38 34 A 7 TRP HE3 A 7 TRP HBx 1.0 0.0 3.73 39 34 A 7 TRP HBy A 7 TRP HE3 1.0 0.0 3.73 40 35 A 8 LYS HA A 7 TRP HE3 1.0 0.0 4.62 41 36 A 4 SER HA A 7 TRP HE3 1.0 0.0 4.87 42 37 A 7 TRP HA A 7 TRP HE3 1.0 0.0 4.22 43 38 A 10 LEU HG A 7 TRP HE3 1.0 0.0 5.21 44 39 A 7 TRP HE3 A 10 LEU HDx% 1.0 0.0 5.35 45 39 A 10 LEU HDy% A 7 TRP HE3 1.0 0.0 5.35 46 40 A 7 TRP HE3 A 14 ILE HD1% 1.0 0.0 5.50 47 41 A 7 TRP HD1 A 7 TRP HBx 1.0 0.0 3.50 48 41 A 7 TRP HBy A 7 TRP HD1 1.0 0.0 3.50 49 42 A 3 LEU HDy% A 7 TRP HE1 1.0 0.0 5.24 50 43 A 7 TRP HE1 A 10 LEU HDx% 1.0 0.0 5.10 51 43 A 10 LEU HDy% A 7 TRP HE1 1.0 0.0 5.10 52 44 A 14 ILE HD1% A 7 TRP HE1 1.0 0.0 5.50 53 45 A 7 TRP HE1 A 3 LEU HG 1.0 0.0 5.50 54 46 A 8 LYS HA A 12 LYS H 1.0 0.0 4.96 55 47 A 14 ILE H A 15 ALA H 1.0 0.0 3.35 56 48 A 14 ILE H A 13 ILE H 1.0 0.0 3.29 57 49 A 12 LYS H A 14 ILE H 1.0 0.0 4.76 58 50 A 14 ILE H A 12 LYS HA 1.0 0.0 4.31 59 51 A 14 ILE H A 14 ILE HB 1.0 0.0 3.29 60 52 A 14 ILE H A 14 ILE HG1y 1.0 0.0 3.78 61 53 A 14 ILE H A 14 ILE HG1x 1.0 0.0 3.78 62 54 A 14 ILE H A 13 ILE HG2% 1.0 0.0 4.22 63 55 A 14 ILE H A 14 ILE HG2% 1.0 0.0 4.53 64 56 A 3 LEU HDx% A 7 TRP H 1.0 0.0 4.03 65 57 A 14 ILE HD1% A 14 ILE H 1.0 0.0 4.64 66 58 A 14 ILE H A 13 ILE HB 1.0 0.0 3.55 67 59 A 14 ILE H A 15 ALA HB% 1.0 0.0 4.79 68 60 A 11 LYS H A 10 LEU HDx% 1.0 0.0 4.32 69 60 A 10 LEU HDy% A 11 LYS H 1.0 0.0 4.32 70 61 A 8 LYS HA A 11 LYS H 1.0 0.0 4.17 71 62 A 7 TRP HA A 11 LYS H 1.0 0.0 4.36 72 63 A 11 LYS H A 8 LYS H 1.0 0.0 5.23 73 64 A 11 LYS H A 13 ILE H 1.0 0.0 5.50 74 65 A 11 LYS H A 9 LYS H 1.0 0.0 4.65 75 66 A 11 LYS H A 12 LYS H 1.0 0.0 3.32 76 67 A 11 LYS H A 11 LYS HGx 1.0 0.0 4.07 77 67 A 11 LYS H A 11 LYS HGy 1.0 0.0 4.07 78 68 A 11 LYS H A 11 LYS HBy 1.0 0.0 3.51 79 69 A 11 LYS H A 11 LYS HBx 1.0 0.0 3.51 80 70 A 10 LEU HG A 11 LYS H 1.0 0.0 3.83 81 71 A 11 LYS H A 9 LYS HBx 1.0 0.0 4.99 82 71 A 9 LYS HBy A 11 LYS H 1.0 0.0 4.99 83 72 A 11 LYS H A 12 LYS HBx 1.0 0.0 5.46 84 72 A 11 LYS H A 12 LYS HBy 1.0 0.0 5.46 85 73 A 4 SER H A 4 SER HBx 1.0 0.0 3.63 86 74 A 4 SER H A 4 SER HBy 1.0 0.0 3.63 87 75 A 6 LEU H A 6 LEU HBx 1.0 0.0 3.08 88 75 A 6 LEU H A 6 LEU HBy 1.0 0.0 3.08 89 76 A 6 LEU H A 6 LEU HG 1.0 0.0 4.40 90 77 A 6 LEU H A 6 LEU HDx% 1.0 0.0 4.97 91 78 A 3 LEU HDx% A 6 LEU H 1.0 0.0 4.62 92 79 A 6 LEU H A 6 LEU HDy% 1.0 0.0 4.97 93 80 A 8 LYS H A 6 LEU H 1.0 0.0 4.94 94 81 A 5 SER H A 7 TRP HBx 1.0 0.0 5.44 95 81 A 7 TRP HBy A 5 SER H 1.0 0.0 5.44 96 82 A 6 LEU H A 7 TRP HBx 1.0 0.0 5.50 97 82 A 7 TRP HBy A 6 LEU H 1.0 0.0 5.50 98 83 A 15 ALA H A 15 ALA HB% 1.0 0.0 2.88 99 84 A 15 ALA H A 14 ILE HG1x 1.0 0.0 4.95 100 85 A 15 ALA H A 14 ILE HG2% 1.0 0.0 3.86 101 86 A 14 ILE HD1% A 15 ALA H 1.0 0.0 4.81 102 87 A 15 ALA H A 14 ILE HB 1.0 0.0 3.61 103 88 A 15 ALA H A 14 ILE HG1y 1.0 0.0 4.95 104 89 A 15 ALA H A 12 LYS HA 1.0 0.0 4.23 105 90 A 15 ALA H A 11 LYS HA 1.0 0.0 4.48 106 91 A 13 ILE H A 13 ILE HB 1.0 0.0 3.22 107 92 A 13 ILE H A 13 ILE HD1% 1.0 0.0 3.92 108 93 A 13 ILE H A 13 ILE HG2% 1.0 0.0 3.79 109 94 A 13 ILE H A 13 ILE HG1x 1.0 0.0 3.89 110 95 A 13 ILE H A 13 ILE HG1y 1.0 0.0 3.89 111 96 A 8 LYS H A 8 LYS HGy 1.0 0.0 4.42 112 97 A 8 LYS H A 8 LYS HBx 1.0 0.0 3.69 113 98 A 8 LYS H A 8 LYS HBy 1.0 0.0 3.69 114 99 A 8 LYS H A 8 LYS HGx 1.0 0.0 3.73 115 100 A 15 ALA HA A 16 LYS HEx 1.0 0.0 5.41 116 100 A 15 ALA HA A 16 LYS HEy 1.0 0.0 5.41 117 101 A 9 LYS H A 9 LYS HBx 1.0 0.0 3.03 118 101 A 9 LYS HBy A 9 LYS H 1.0 0.0 3.03 119 102 A 9 LYS H A 8 LYS HBy 1.0 0.0 4.13 120 103 A 9 LYS H A 8 LYS HBx 1.0 0.0 4.13 121 104 A 9 LYS H A 6 LEU HBx 1.0 0.0 5.29 122 104 A 9 LYS H A 6 LEU HBy 1.0 0.0 5.29 123 105 A 10 LEU HG A 9 LYS H 1.0 0.0 5.50 124 106 A 9 LYS H A 9 LYS HGx 1.0 0.0 4.64 125 107 A 9 LYS H A 9 LYS HGy 1.0 0.0 4.64 126 108 A 9 LYS H A 6 LEU HG 1.0 0.0 5.36 127 109 A 9 LYS H A 9 LYS HDx 1.0 0.0 5.50 128 109 A 9 LYS H A 9 LYS HDy 1.0 0.0 5.50 129 110 A 12 LYS H A 12 LYS HBx 1.0 0.0 3.31 130 110 A 12 LYS H A 12 LYS HBy 1.0 0.0 3.31 131 111 A 12 LYS H A 12 LYS HGx 1.0 0.0 4.66 132 112 A 12 LYS H A 12 LYS HDx 1.0 0.0 4.91 133 112 A 12 LYS H A 12 LYS HDy 1.0 0.0 4.91 134 113 A 12 LYS H A 11 LYS HBx 1.0 0.0 4.16 135 114 A 12 LYS H A 12 LYS HGy 1.0 0.0 4.66 136 115 A 12 LYS H A 11 LYS HDx 1.0 0.0 4.96 137 115 A 12 LYS H A 11 LYS HDy 1.0 0.0 4.96 138 116 A 7 TRP HZ2 A 11 LYS HGx 1.0 0.0 5.50 139 116 A 11 LYS HGy A 7 TRP HZ2 1.0 0.0 5.50 140 117 A 12 LYS H A 11 LYS HGx 1.0 0.0 5.50 141 117 A 12 LYS H A 11 LYS HGy 1.0 0.0 5.50 142 118 A 14 ILE HG2% A 7 TRP HZ2 1.0 0.0 4.89 143 119 A 12 LYS H A 10 LEU HDx% 1.0 0.0 5.12 144 119 A 10 LEU HDy% A 12 LYS H 1.0 0.0 5.12 145 120 A 14 ILE HD1% A 7 TRP HZ2 1.0 0.0 5.30 146 121 A 3 LEU HDy% A 7 TRP HD1 1.0 0.0 4.82 147 122 A 3 LEU HDx% A 7 TRP HD1 1.0 0.0 4.22 148 123 A 14 ILE HD1% A 7 TRP HH2 1.0 0.0 4.87 149 124 A 10 LEU HG A 7 TRP HD1 1.0 0.0 5.50 150 125 A 7 TRP HD1 A 3 LEU HG 1.0 0.0 4.79 151 126 A 7 TRP HH2 A 11 LYS HDx 1.0 0.0 4.61 152 126 A 11 LYS HDy A 7 TRP HH2 1.0 0.0 4.61 153 127 A 16 LYS HBx A 16 LYS HEx 1.0 0.0 4.85 154 127 A 16 LYS HBy A 16 LYS HEx 1.0 0.0 4.85 155 127 A 16 LYS HEy A 16 LYS HBx 1.0 0.0 4.85 156 127 A 16 LYS HBy A 16 LYS HEy 1.0 0.0 4.85 157 128 A 14 ILE HD1% A 7 TRP HZ3 1.0 0.0 4.73 158 129 A 8 LYS H A 9 LYS H 1.0 0.0 3.32 159 130 A 12 LYS H A 13 ILE H 1.0 0.0 3.23 160 131 A 7 TRP HZ3 A 11 LYS HDx 1.0 0.0 5.50 161 131 A 11 LYS HDy A 7 TRP HZ3 1.0 0.0 5.50 162 132 A 14 ILE HG2% A 7 TRP HZ3 1.0 0.0 5.50 163 133 A 13 ILE HG2% A 16 LYS HEx 1.0 0.0 5.50 164 133 A 13 ILE HG2% A 16 LYS HEy 1.0 0.0 5.50 165 134 A 14 ILE HG2% A 16 LYS HEx 1.0 0.0 5.50 166 134 A 14 ILE HG2% A 16 LYS HEy 1.0 0.0 5.50 167 135 A 15 ALA HB% A 16 LYS HEx 1.0 0.0 5.50 168 135 A 15 ALA HB% A 16 LYS HEy 1.0 0.0 5.50 169 136 A 8 LYS HGy A 7 TRP HH2 1.0 0.0 5.50 170 137 A 7 TRP HH2 A 11 LYS HGx 1.0 0.0 5.50 171 137 A 11 LYS HGy A 7 TRP HH2 1.0 0.0 5.50 172 138 A 12 LYS H A 11 LYS HBy 1.0 0.0 4.16 173 139 A 15 ALA HB% A 16 LYS HEx 1.0 0.0 5.25 174 139 A 15 ALA HB% A 16 LYS HEy 1.0 0.0 5.25 175 140 A 16 LYS HBy A 16 LYS HEx 1.0 0.0 4.59 176 140 A 16 LYS HBx A 16 LYS HEx 1.0 0.0 4.59 177 140 A 16 LYS HEy A 16 LYS HBx 1.0 0.0 4.59 178 140 A 16 LYS HBy A 16 LYS HEy 1.0 0.0 4.59 179 141 A 13 ILE HG2% A 16 LYS HEx 1.0 0.0 5.50 180 141 A 13 ILE HG2% A 16 LYS HEy 1.0 0.0 5.50 181 142 A 14 ILE HG2% A 16 LYS HEx 1.0 0.0 5.50 182 142 A 14 ILE HG2% A 16 LYS HEy 1.0 0.0 5.50 183 143 A 14 ILE HA A 16 LYS HEx 1.0 0.0 4.85 184 143 A 16 LYS HEy A 14 ILE HA 1.0 0.0 4.85 185 144 A 14 ILE HA A 16 LYS HEx 1.0 0.0 5.43 186 144 A 16 LYS HEy A 14 ILE HA 1.0 0.0 5.43 187 145 A 4 SER HA A 7 TRP HD1 1.0 0.0 4.90 188 146 A 7 TRP HA A 7 TRP HD1 1.0 0.0 3.63 189 147 A 8 LYS H A 7 TRP HBx 1.0 0.0 3.62 190 147 A 8 LYS H A 7 TRP HBy 1.0 0.0 3.62 191 148 A 10 LEU H A 7 TRP HBx 1.0 0.0 5.50 192 148 A 10 LEU H A 7 TRP HBy 1.0 0.0 5.50 193 149 A 10 LEU H A 11 LYS HA 1.0 0.0 5.38 194 150 A 6 LEU HA A 9 LYS H 1.0 0.0 4.00 195 151 A 9 LYS H A 5 SER HA 1.0 0.0 5.12 196 152 A 8 LYS H A 5 SER HA 1.0 0.0 4.38 197 153 A 8 LYS H A 4 SER HA 1.0 0.0 4.80 198 154 A 6 LEU HA A 8 LYS H 1.0 0.0 4.89 199 155 A 13 ILE H A 10 LEU HA 1.0 0.0 4.06 200 156 A 8 LYS HA A 7 TRP HH2 1.0 0.0 5.50 201 157 A 8 LYS HA A 7 TRP HZ3 1.0 0.0 5.50 202 158 A 4 SER HA A 7 TRP HBx 1.0 0.0 4.37 203 158 A 7 TRP HBy A 4 SER HA 1.0 0.0 4.37 204 159 A 5 SER HA A 8 LYS HDx 1.0 0.0 5.50 205 159 A 5 SER HA A 8 LYS HDy 1.0 0.0 5.50 206 160 A 5 SER HA A 8 LYS HBy 1.0 0.0 5.50 207 161 A 5 SER HA A 8 LYS HBx 1.0 0.0 5.50 208 162 A 14 ILE HG2% A 11 LYS HA 1.0 0.0 4.73 209 163 A 14 ILE HG2% A 14 ILE HA 1.0 0.0 3.21 210 164 A 13 ILE HG2% A 13 ILE HA 1.0 0.0 3.30 211 165 A 13 ILE HD1% A 13 ILE HA 1.0 0.0 4.26 212 166 A 14 ILE HD1% A 14 ILE HA 1.0 0.0 4.11 213 167 A 14 ILE HD1% A 11 LYS HA 1.0 0.0 4.03 214 168 A 3 LEU HDy% A 7 TRP HBx 1.0 0.0 5.50 215 168 A 3 LEU HDy% A 7 TRP HBy 1.0 0.0 5.50 216 169 A 3 LEU HDx% A 7 TRP HBx 1.0 0.0 4.88 217 169 A 3 LEU HDx% A 7 TRP HBy 1.0 0.0 4.88 218 170 A 6 LEU HBy A 7 TRP HBx 1.0 0.0 5.15 219 170 A 6 LEU HBx A 7 TRP HBx 1.0 0.0 5.15 220 170 A 7 TRP HBy A 6 LEU HBx 1.0 0.0 5.15 221 170 A 7 TRP HBy A 6 LEU HBy 1.0 0.0 5.15 222 171 A 10 LEU HG A 7 TRP HBx 1.0 0.0 5.50 223 171 A 10 LEU HG A 7 TRP HBy 1.0 0.0 5.50 224 172 A 3 LEU HG A 7 TRP HBx 1.0 0.0 5.37 225 172 A 7 TRP HBy A 3 LEU HG 1.0 0.0 5.37 226 173 A 14 ILE HB A 11 LYS HA 1.0 0.0 3.84 227 174 A 11 LYS HA A 11 LYS HDx 1.0 0.0 4.61 228 174 A 11 LYS HA A 11 LYS HDy 1.0 0.0 4.61 229 175 A 13 ILE HA A 13 ILE HG1x 1.0 0.0 3.89 230 176 A 14 ILE HA A 14 ILE HG1x 1.0 0.0 3.83 231 177 A 8 LYS HA A 8 LYS HGy 1.0 0.0 3.93 232 178 A 3 LEU HDy% A 3 LEU HA 1.0 0.0 5.36 233 179 A 14 ILE HG2% A 15 ALA HA 1.0 0.0 4.99 234 180 A 3 LEU HDx% A 3 LEU HA 1.0 0.0 4.01 235 181 A 6 LEU HA A 9 LYS HBx 1.0 0.0 4.34 236 181 A 9 LYS HBy A 6 LEU HA 1.0 0.0 4.34 237 182 A 2 ILE HG2% A 2 ILE HA 1.0 0.0 3.80 238 183 A 2 ILE HA A 2 ILE HD1% 1.0 0.0 4.28 239 184 A 10 LEU HA A 10 LEU HDx% 1.0 0.0 3.49 240 184 A 10 LEU HDy% A 10 LEU HA 1.0 0.0 3.49 241 185 A 12 LYS HA A 15 ALA HB% 1.0 0.0 3.88 242 186 A 12 LYS HA A 12 LYS HDx 1.0 0.0 4.22 243 186 A 12 LYS HA A 12 LYS HDy 1.0 0.0 4.22 244 187 A 13 ILE HB A 10 LEU HA 1.0 0.0 4.73 245 188 A 13 ILE HA A 16 LYS HBx 1.0 0.0 4.42 246 188 A 16 LYS HBy A 13 ILE HA 1.0 0.0 4.42 247 189 A 8 LYS HA A 11 LYS HDx 1.0 0.0 4.78 248 189 A 8 LYS HA A 11 LYS HDy 1.0 0.0 4.78 249 190 A 15 ALA HB% A 14 ILE HA 1.0 0.0 5.40 250 191 A 13 ILE HA A 13 ILE HG1y 1.0 0.0 3.89 251 192 A 14 ILE HA A 14 ILE HG1y 1.0 0.0 3.83 252 193 A 13 ILE HB A 13 ILE HD1% 1.0 0.0 3.67 253 194 A 9 LYS HBy A 9 LYS HDx 1.0 0.0 4.06 254 194 A 9 LYS HBx A 9 LYS HDx 1.0 0.0 4.06 255 194 A 9 LYS HDy A 9 LYS HBx 1.0 0.0 4.06 256 194 A 9 LYS HBy A 9 LYS HDy 1.0 0.0 4.06 257 195 A 15 ALA HB% A 16 LYS HBx 1.0 0.0 4.57 258 195 A 15 ALA HB% A 16 LYS HBy 1.0 0.0 4.57 259 196 A 14 ILE HB A 11 LYS HGx 1.0 0.0 4.87 260 196 A 14 ILE HB A 11 LYS HGy 1.0 0.0 4.87 261 197 A 14 ILE HD1% A 14 ILE HB 1.0 0.0 3.75 262 198 A 2 ILE HB A 2 ILE HD1% 1.0 0.0 4.02 263 199 A 10 LEU HDy% A 10 LEU HBy 1.0 0.0 3.46 264 199 A 10 LEU HBy A 10 LEU HDx% 1.0 0.0 3.46 265 200 A 10 LEU HDy% A 10 LEU HBx 1.0 0.0 3.46 266 200 A 10 LEU HBx A 10 LEU HDx% 1.0 0.0 3.46 267 201 A 3 LEU H A 3 LEU HBx 1.0 0.0 3.16 268 201 A 3 LEU H A 3 LEU HBy 1.0 0.0 3.16 269 202 A 3 LEU HBx A 7 TRP HBx 1.0 0.0 5.34 270 202 A 3 LEU HBy A 7 TRP HBx 1.0 0.0 5.34 271 202 A 7 TRP HBy A 3 LEU HBx 1.0 0.0 5.34 272 202 A 7 TRP HBy A 3 LEU HBy 1.0 0.0 5.34 273 203 A 4 SER H A 4 SER HBx 1.0 0.0 3.17 274 203 A 4 SER H A 4 SER HBy 1.0 0.0 3.17 275 204 A 5 SER H A 4 SER HBx 1.0 0.0 4.16 276 204 A 5 SER H A 4 SER HBy 1.0 0.0 4.16 277 205 A 7 TRP H A 4 SER HBx 1.0 0.0 5.34 278 205 A 7 TRP H A 4 SER HBy 1.0 0.0 5.34 279 206 A 8 LYS H A 4 SER HBx 1.0 0.0 5.34 280 206 A 8 LYS H A 4 SER HBy 1.0 0.0 5.34 281 207 A 5 SER H A 5 SER HBy 1.0 0.0 3.15 282 207 A 5 SER H A 5 SER HBx 1.0 0.0 3.15 283 208 A 7 TRP H A 5 SER HBy 1.0 0.0 5.34 284 208 A 7 TRP H A 5 SER HBx 1.0 0.0 5.34 285 209 A 6 LEU H A 6 LEU HDy% 1.0 0.0 4.23 286 209 A 6 LEU H A 6 LEU HDx% 1.0 0.0 4.23 287 210 A 6 LEU HA A 6 LEU HDy% 1.0 0.0 4.13 288 210 A 6 LEU HA A 6 LEU HDx% 1.0 0.0 4.13 289 211 A 10 LEU H A 6 LEU HDy% 1.0 0.0 4.76 290 211 A 10 LEU H A 6 LEU HDx% 1.0 0.0 4.76 291 212 A 7 TRP HE3 A 11 LYS HBy 1.0 0.0 4.63 292 212 A 7 TRP HE3 A 11 LYS HBx 1.0 0.0 4.63 293 213 A 7 TRP HZ3 A 11 LYS HBy 1.0 0.0 5.34 294 213 A 7 TRP HZ3 A 11 LYS HBx 1.0 0.0 5.34 295 214 A 8 LYS H A 8 LYS HBy 1.0 0.0 3.14 296 214 A 8 LYS H A 8 LYS HBx 1.0 0.0 3.14 297 215 A 8 LYS HA A 11 LYS HBy 1.0 0.0 3.87 298 215 A 8 LYS HA A 11 LYS HBx 1.0 0.0 3.87 299 216 A 10 LEU H A 10 LEU HBx 1.0 0.0 3.46 300 216 A 10 LEU H A 10 LEU HBy 1.0 0.0 3.46 301 217 A 10 LEU HA A 13 ILE HG1x 1.0 0.0 5.34 302 217 A 10 LEU HA A 13 ILE HG1y 1.0 0.0 5.34 303 218 A 11 LYS H A 11 LYS HBy 1.0 0.0 3.04 304 218 A 11 LYS H A 11 LYS HBx 1.0 0.0 3.04 305 219 A 11 LYS HA A 14 ILE HG1x 1.0 0.0 4.36 306 219 A 11 LYS HA A 14 ILE HG1y 1.0 0.0 4.36 307 220 A 12 LYS H A 11 LYS HBy 1.0 0.0 3.52 308 220 A 12 LYS H A 11 LYS HBx 1.0 0.0 3.52 309 221 A 12 LYS H A 12 LYS HGy 1.0 0.0 3.96 310 221 A 12 LYS H A 12 LYS HGx 1.0 0.0 3.96 311 222 A 13 ILE H A 13 ILE HG1x 1.0 0.0 3.34 312 222 A 13 ILE H A 13 ILE HG1y 1.0 0.0 3.34 313 223 A 14 ILE H A 14 ILE HG1x 1.0 0.0 3.19 314 223 A 14 ILE H A 14 ILE HG1y 1.0 0.0 3.19 315 224 A 14 ILE HA A 14 ILE HG1x 1.0 0.0 3.35 316 224 A 14 ILE HA A 14 ILE HG1y 1.0 0.0 3.35 317 225 A 15 ALA H A 14 ILE HG1x 1.0 0.0 4.25 318 225 A 15 ALA H A 14 ILE HG1y 1.0 0.0 4.25 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 ILE N A 2 ILE CA A 2 ILE C 1.0 -72.3 -42.9 PHI 2 2 A 2 ILE N A 2 ILE CA A 2 ILE C A 3 LEU N 1.0 -70.0 -14.8 PSI 3 3 A 2 ILE C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -73.2 -52.0 PHI 4 4 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 SER N 1.0 -53.7 -26.5 PSI 5 5 A 3 LEU C A 4 SER N A 4 SER CA A 4 SER C 1.0 -74.7 -52.1 PHI 6 6 A 4 SER N A 4 SER CA A 4 SER C A 5 SER N 1.0 -56.0 -25.6 PSI 7 7 A 4 SER C A 5 SER N A 5 SER CA A 5 SER C 1.0 -75.7 -55.7 PHI 8 8 A 5 SER N A 5 SER CA A 5 SER C A 6 LEU N 1.0 -49.3 -25.5 PSI 9 9 A 5 SER C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -74.8 -54.8 PHI 10 10 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 TRP N 1.0 -53.9 -33.9 PSI 11 11 A 6 LEU C A 7 TRP N A 7 TRP CA A 7 TRP C 1.0 -73.0 -53.0 PHI 12 12 A 7 TRP N A 7 TRP CA A 7 TRP C A 8 LYS N 1.0 -55.8 -30.8 PSI 13 13 A 7 TRP C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -72.3 -46.5 PHI 14 14 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 LYS N 1.0 -53.3 -25.9 PSI 15 15 A 8 LYS C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -70.4 -50.4 PHI 16 16 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 LEU N 1.0 -59.2 -30.4 PSI 17 17 A 9 LYS C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -75.3 -54.9 PHI 18 18 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 LYS N 1.0 -53.2 -25.2 PSI 19 19 A 10 LEU C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -75.0 -46.0 PHI 20 20 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 LYS N 1.0 -54.6 -26.2 PSI 21 21 A 11 LYS C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -72.3 -43.5 PHI 22 22 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 ILE N 1.0 -55.1 -35.1 PSI 23 23 A 12 LYS C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -74.6 -54.6 PHI 24 24 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 ILE N 1.0 -55.9 -24.5 PSI 25 25 A 13 ILE C A 14 ILE N A 14 ILE CA A 14 ILE C 1.0 -75.4 -48.4 PHI 26 26 A 14 ILE N A 14 ILE CA A 14 ILE C A 15 ALA N 1.0 -57.2 -23.0 PSI 27 27 A 14 ILE C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -96.7 -45.5 PHI 28 28 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 LYS N 1.0 -56.5 2.9 PSI stop_ save_