data_nef_c19856_2mmj 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 PDB 2MMJ PDB 2MN8 PDB 2MN9 BMRB 19882 BMRB 19883 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 10 ALA C 1 11 I4G N 1 11 I4G C 1 12 HIS N 1 21 PHE C 1 22 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 LEU middle . . 3 A 3 PHE middle . . 4 A 4 GLY middle . false 5 A 5 VAL middle . . 6 A 6 LEU middle . . 7 A 7 ALA middle . . 8 A 8 LYS middle . . 9 A 9 VAL middle . . 10 A 10 ALA middle . . 11 A 11 I4G middle . . 12 A 12 HIS middle . . 13 A 13 VAL middle . . 14 A 14 VAL middle . . 15 A 15 GLY middle . false 16 A 16 ALA middle . . 17 A 17 ILE middle . . 18 A 18 ALA middle . . 19 A 19 GLU middle . . 20 A 20 HIS middle . . 21 A 21 PHE middle . . 22 A 22 NH2 end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_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 4.045 0.01 A 1 GLY HAx H 1 3.862 0.01 A 1 GLY CA C 13 43.584 0.10 A 2 LEU HA H 1 3.998 0.01 A 2 LEU HBy H 1 1.611 0.01 A 2 LEU HBx H 1 1.505 0.01 A 2 LEU HDx% H 1 0.859 0.01 A 2 LEU HDy% H 1 0.786 0.01 A 2 LEU HG H 1 1.516 0.01 A 2 LEU CA C 13 58.480 0.10 A 2 LEU CB C 13 42.447 0.10 A 2 LEU CDx C 13 24.371 0.10 A 2 LEU CDy C 13 25.077 0.10 A 2 LEU CG C 13 27.291 0.10 A 3 PHE H H 1 8.946 0.01 A 3 PHE HA H 1 4.165 0.01 A 3 PHE HBy H 1 3.159 0.01 A 3 PHE HBx H 1 3.120 0.01 A 3 PHE HDx H 1 7.233 0.01 A 3 PHE HEx H 1 7.136 0.01 A 3 PHE HEy H 1 7.136 0.01 A 3 PHE CA C 13 61.601 0.10 A 3 PHE CB C 13 37.969 0.10 A 3 PHE CDx C 13 131.466 0.10 A 4 GLY H H 1 8.199 0.01 A 4 GLY HAy H 1 3.961 0.01 A 4 GLY HAx H 1 3.807 0.01 A 4 GLY CA C 13 46.903 0.10 A 5 VAL H H 1 7.715 0.01 A 5 VAL HA H 1 3.785 0.01 A 5 VAL HB H 1 2.198 0.01 A 5 VAL HGx% H 1 1.049 0.01 A 5 VAL HGy% H 1 0.913 0.01 A 5 VAL CA C 13 65.813 0.10 A 5 VAL CB C 13 31.877 0.10 A 5 VAL CGy C 13 22.490 0.10 A 5 VAL CGx C 13 21.498 0.10 A 6 LEU H H 1 8.016 0.01 A 6 LEU HA H 1 3.973 0.01 A 6 LEU HBy H 1 1.819 0.01 A 6 LEU HBx H 1 1.422 0.01 A 6 LEU HDx% H 1 0.793 0.01 A 6 LEU HDy% H 1 0.772 0.01 A 6 LEU HG H 1 1.808 0.01 A 6 LEU CA C 13 57.499 0.10 A 6 LEU CB C 13 41.484 0.10 A 6 LEU CDy C 13 25.442 0.10 A 6 LEU CDx C 13 23.200 0.10 A 6 LEU CG C 13 26.847 0.10 A 7 ALA H H 1 8.133 0.01 A 7 ALA HA H 1 3.893 0.01 A 7 ALA HB% H 1 1.373 0.01 A 7 ALA CA C 13 54.876 0.10 A 7 ALA CB C 13 18.387 0.10 A 8 LYS H H 1 7.355 0.01 A 8 LYS HA H 1 4.188 0.01 A 8 LYS HBy H 1 1.989 0.01 A 8 LYS HBx H 1 1.950 0.01 A 8 LYS HDx H 1 1.687 0.01 A 8 LYS HDy H 1 1.687 0.01 A 8 LYS HEx H 1 2.957 0.01 A 8 LYS HEy H 1 2.957 0.01 A 8 LYS HGy H 1 1.608 0.01 A 8 LYS HGx H 1 1.497 0.01 A 8 LYS CA C 13 57.941 0.10 A 8 LYS CB C 13 33.039 0.10 A 8 LYS CD C 13 29.190 0.10 A 8 LYS CE C 13 42.124 0.10 A 8 LYS CG C 13 25.210 0.10 A 9 VAL H H 1 7.570 0.01 A 9 VAL HA H 1 4.306 0.01 A 9 VAL HB H 1 2.289 0.01 A 9 VAL HGx% H 1 0.944 0.01 A 9 VAL HGy% H 1 0.988 0.01 A 9 VAL CA C 13 61.850 0.10 A 9 VAL CB C 13 32.635 0.10 A 9 VAL CGy C 13 21.590 0.10 A 9 VAL CGx C 13 20.332 0.10 A 10 ALA H H 1 7.759 0.01 A 10 ALA HA H 1 4.381 0.01 A 10 ALA HB% H 1 1.457 0.01 A 10 ALA CB C 13 18.925 0.10 A 11 I4G HAy H 1 4.039 0.01 A 11 I4G HAx H 1 3.958 0.01 A 11 I4G HBy H 1 3.421 0.01 A 11 I4G HBx H 1 3.358 0.01 A 11 I4G HDx% H 1 0.953 0.01 A 11 I4G HDy% H 1 0.896 0.01 A 11 I4G HG H 1 1.981 0.01 A 11 I4G CA C 13 53.969 0.10 A 11 I4G CB C 13 58.822 0.10 A 11 I4G CDy C 13 22.448 0.10 A 11 I4G CDx C 13 21.958 0.10 A 12 HIS HA H 1 4.596 0.01 A 12 HIS HBy H 1 3.237 0.01 A 12 HIS HBx H 1 3.191 0.01 A 12 HIS HD2 H 1 7.137 0.01 A 12 HIS HE1 H 1 8.149 0.01 A 12 HIS CB C 13 29.667 0.10 A 12 HIS CD2 C 13 119.916 0.10 A 12 HIS CE1 C 13 137.894 0.10 A 13 VAL H H 1 8.242 0.01 A 13 VAL HA H 1 3.728 0.01 A 13 VAL HB H 1 2.181 0.01 A 13 VAL HGx% H 1 1.008 0.01 A 13 VAL HGy% H 1 0.906 0.01 A 13 VAL CA C 13 65.941 0.10 A 13 VAL CB C 13 32.053 0.10 A 13 VAL CGy C 13 22.584 0.10 A 13 VAL CGx C 13 21.528 0.10 A 14 VAL H H 1 8.234 0.01 A 14 VAL HA H 1 3.572 0.01 A 14 VAL HB H 1 2.115 0.01 A 14 VAL HGx% H 1 1.012 0.01 A 14 VAL HGy% H 1 0.929 0.01 A 14 VAL CA C 13 66.827 0.10 A 14 VAL CB C 13 31.394 0.10 A 14 VAL CGy C 13 22.937 0.10 A 14 VAL CGx C 13 21.522 0.10 A 15 GLY H H 1 8.285 0.01 A 15 GLY HAy H 1 3.878 0.01 A 15 GLY HAx H 1 3.784 0.01 A 15 GLY CA C 13 47.066 0.10 A 16 ALA H H 1 7.830 0.01 A 16 ALA HA H 1 4.291 0.01 A 16 ALA HB% H 1 1.504 0.01 A 16 ALA CA C 13 54.931 0.10 A 16 ALA CB C 13 18.502 0.10 A 17 ILE H H 1 8.045 0.01 A 17 ILE HA H 1 3.745 0.01 A 17 ILE HB H 1 2.067 0.01 A 17 ILE HD1% H 1 0.821 0.01 A 17 ILE HG1y H 1 1.948 0.01 A 17 ILE HG1x H 1 1.076 0.01 A 17 ILE HG2% H 1 0.991 0.01 A 17 ILE CA C 13 65.356 0.10 A 17 ILE CB C 13 38.103 0.10 A 17 ILE CD1 C 13 13.698 0.10 A 17 ILE CG1 C 13 29.280 0.10 A 17 ILE CG2 C 13 18.063 0.10 A 18 ALA H H 1 8.467 0.01 A 18 ALA HA H 1 4.035 0.01 A 18 ALA HB% H 1 1.499 0.01 A 18 ALA CA C 13 55.415 0.10 A 18 ALA CB C 13 18.502 0.10 A 19 GLU H H 1 8.007 0.01 A 19 GLU HA H 1 3.984 0.01 A 19 GLU HBy H 1 2.057 0.01 A 19 GLU HBx H 1 1.957 0.01 A 19 GLU HGy H 1 2.255 0.01 A 19 GLU HGx H 1 2.152 0.01 A 19 GLU CA C 13 58.406 0.10 A 19 GLU CB C 13 29.818 0.10 A 19 GLU CG C 13 36.122 0.10 A 20 HIS H H 1 7.795 0.01 A 20 HIS HA H 1 4.265 0.01 A 20 HIS HBx H 1 2.942 0.01 A 20 HIS HBy H 1 2.942 0.01 A 20 HIS HD2 H 1 6.161 0.01 A 20 HIS HE1 H 1 8.263 0.01 A 20 HIS CA C 13 58.390 0.10 A 20 HIS CB C 13 29.560 0.10 A 20 HIS CD2 C 13 119.863 0.10 A 20 HIS CE1 C 13 137.526 0.10 A 21 PHE H H 1 7.899 0.01 A 21 PHE HA H 1 4.423 0.01 A 21 PHE HBy H 1 3.294 0.01 A 21 PHE HBx H 1 2.860 0.01 A 21 PHE HDx H 1 7.455 0.01 A 21 PHE HDy H 1 7.455 0.01 A 21 PHE HEx H 1 7.262 0.01 A 21 PHE HEy H 1 7.262 0.01 A 21 PHE HZ H 1 7.140 0.01 A 21 PHE CA C 13 58.818 0.10 A 21 PHE CB C 13 40.237 0.10 A 21 PHE CDx C 13 132.277 0.10 A 21 PHE CEx C 13 130.940 0.10 A 21 PHE CZ C 13 129.177 0.10 A 22 NH2 HNy H 1 7.211 0.01 A 22 NH2 HNx H 1 7.154 0.01 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 4 GLY H A 3 PHE HBy 1.0 1.0 3.79 2 1 A 3 PHE HBx A 4 GLY H 1.0 1.0 3.79 3 2 A 3 PHE H A 3 PHE HBy 1.0 1.0 3.27 4 2 A 3 PHE HBx A 3 PHE H 1.0 1.0 3.27 5 3 A 5 VAL H A 5 VAL HB 1.0 1.0 2.52 6 4 A 5 VAL HB A 6 LEU H 1.0 1.0 3.05 7 5 A 5 VAL HB A 2 LEU HA 1.0 1.0 4.26 8 6 A 5 VAL HB A 5 VAL HA 1.0 1.0 2.93 9 7 A 16 ALA HA A 19 GLU HBy 1.0 1.0 4.82 10 7 A 16 ALA HA A 19 GLU HBx 1.0 1.0 4.82 11 8 A 19 GLU HA A 19 GLU HBy 1.0 1.0 2.71 12 8 A 19 GLU HBx A 19 GLU HA 1.0 1.0 2.71 13 9 A 20 HIS H A 19 GLU HBy 1.0 1.0 3.45 14 9 A 19 GLU HBx A 20 HIS H 1.0 1.0 3.45 15 10 A 19 GLU H A 19 GLU HBy 1.0 1.0 2.59 16 10 A 19 GLU HBx A 19 GLU H 1.0 1.0 2.59 17 11 A 18 ALA H A 15 GLY HAy 1.0 1.0 5.04 18 11 A 15 GLY HAx A 18 ALA H 1.0 1.0 5.04 19 12 A 7 ALA HA A 10 ALA H 1.0 1.0 4.57 20 13 A 7 ALA HA A 9 VAL H 1.0 1.0 4.82 21 14 A 7 ALA HA A 7 ALA H 1.0 1.0 2.80 22 15 A 18 ALA HA A 21 PHE H 1.0 1.0 3.79 23 16 A 18 ALA H A 18 ALA HA 1.0 1.0 2.87 24 17 A 9 VAL H A 8 LYS H 1.0 1.0 2.65 25 18 A 7 ALA H A 8 LYS H 1.0 1.0 2.96 26 19 A 5 VAL H A 6 LEU H 1.0 1.0 2.77 27 20 A 4 GLY H A 5 VAL H 1.0 1.0 2.93 28 21 A 6 LEU H A 7 ALA H 1.0 1.0 3.30 29 22 A 4 GLY H A 3 PHE H 1.0 1.0 3.52 30 23 A 6 LEU H A 6 LEU HBy 1.0 1.0 3.52 31 23 A 6 LEU H A 6 LEU HBx 1.0 1.0 3.52 32 24 A 6 LEU HA A 6 LEU HBy 1.0 1.0 2.93 33 24 A 6 LEU HBx A 6 LEU HA 1.0 1.0 2.93 34 25 A 10 ALA HA A 13 VAL HB 1.0 1.0 3.83 35 26 A 10 ALA HA A 13 VAL H 1.0 1.0 4.07 36 27 A 14 VAL HB A 15 GLY H 1.0 1.0 2.93 37 28 A 14 VAL HB A 14 VAL H 1.0 1.0 2.71 38 29 A 8 LYS H A 8 LYS HBy 1.0 1.0 2.99 39 29 A 8 LYS H A 8 LYS HBx 1.0 1.0 2.99 40 30 A 9 VAL H A 8 LYS HBy 1.0 1.0 3.73 41 30 A 9 VAL H A 8 LYS HBx 1.0 1.0 3.73 42 31 A 6 LEU H A 6 LEU HBy 1.0 1.0 2.99 43 31 A 6 LEU H A 6 LEU HBx 1.0 1.0 2.99 44 32 A 7 ALA H A 6 LEU HBy 1.0 1.0 3.14 45 32 A 7 ALA H A 6 LEU HBx 1.0 1.0 3.14 46 33 A 3 PHE HA A 6 LEU HBy 1.0 1.0 3.05 47 33 A 6 LEU HBx A 3 PHE HA 1.0 1.0 3.05 48 34 A 18 ALA HA A 21 PHE HBy 1.0 1.0 4.14 49 34 A 18 ALA HA A 21 PHE HBx 1.0 1.0 4.14 50 35 A 21 PHE H A 21 PHE HBy 1.0 1.0 3.21 51 35 A 21 PHE H A 21 PHE HBx 1.0 1.0 3.21 52 36 A 16 ALA HA A 16 ALA H 1.0 1.0 2.87 53 37 A 16 ALA HA A 19 GLU H 1.0 1.0 3.36 54 38 A 18 ALA H A 17 ILE HA 1.0 1.0 3.48 55 39 A 17 ILE HA A 17 ILE H 1.0 1.0 2.90 56 40 A 20 HIS H A 17 ILE HA 1.0 1.0 3.67 57 41 A 19 GLU H A 17 ILE HA 1.0 1.0 4.23 58 42 A 16 ALA H A 13 VAL HA 1.0 1.0 3.52 59 43 A 16 ALA H A 15 GLY HAy 1.0 1.0 3.02 60 43 A 15 GLY HAx A 16 ALA H 1.0 1.0 3.02 61 44 A 15 GLY H A 15 GLY HAy 1.0 1.0 2.56 62 44 A 15 GLY HAx A 15 GLY H 1.0 1.0 2.56 63 45 A 9 VAL H A 9 VAL HB 1.0 1.0 3.30 64 46 A 6 LEU HA A 9 VAL HB 1.0 1.0 5.13 65 47 A 4 GLY H A 4 GLY HAy 1.0 1.0 2.83 66 47 A 4 GLY H A 4 GLY HAx 1.0 1.0 2.83 67 48 A 10 ALA H A 9 VAL H 1.0 1.0 2.74 68 49 A 13 VAL HB A 14 VAL H 1.0 1.0 3.67 69 50 A 13 VAL HB A 13 VAL H 1.0 1.0 3.70 70 51 A 20 HIS H A 20 HIS HA 1.0 1.0 2.90 71 52 A 19 GLU HA A 21 PHE H 1.0 1.0 4.26 72 53 A 19 GLU HA A 20 HIS H 1.0 1.0 3.48 73 54 A 19 GLU HA A 19 GLU H 1.0 1.0 2.93 74 55 A 18 ALA H A 14 VAL HA 1.0 1.0 4.17 75 56 A 16 ALA H A 14 VAL HA 1.0 1.0 4.94 76 57 A 17 ILE H A 14 VAL HA 1.0 1.0 3.52 77 58 A 5 VAL H A 2 LEU HA 1.0 1.0 5.41 78 59 A 4 GLY H A 3 PHE HBy 1.0 1.0 3.79 79 59 A 3 PHE HBx A 4 GLY H 1.0 1.0 3.79 80 60 A 3 PHE H A 3 PHE HBy 1.0 1.0 3.27 81 60 A 3 PHE HBx A 3 PHE H 1.0 1.0 3.27 82 61 A 19 GLU HA A 19 GLU HBy 1.0 1.0 2.93 83 61 A 19 GLU HBx A 19 GLU HA 1.0 1.0 2.93 84 62 A 20 HIS H A 19 GLU HBy 1.0 1.0 3.11 85 62 A 19 GLU HBx A 20 HIS H 1.0 1.0 3.11 86 63 A 19 GLU H A 19 GLU HBy 1.0 1.0 2.74 87 63 A 19 GLU HBx A 19 GLU H 1.0 1.0 2.74 88 64 A 18 ALA HA A 21 PHE HBy 1.0 1.0 4.14 89 64 A 18 ALA HA A 21 PHE HBx 1.0 1.0 4.14 90 65 A 21 PHE H A 21 PHE HBy 1.0 1.0 3.21 91 65 A 21 PHE H A 21 PHE HBx 1.0 1.0 3.21 92 66 A 16 ALA H A 17 ILE H 1.0 1.0 2.87 93 67 A 15 GLY H A 16 ALA H 1.0 1.0 3.02 94 68 A 18 ALA H A 17 ILE H 1.0 1.0 2.83 95 69 A 8 LYS H A 8 LYS HA 1.0 1.0 2.87 96 70 A 9 VAL H A 8 LYS HA 1.0 1.0 3.52 97 71 A 5 VAL HA A 8 LYS H 1.0 1.0 3.55 98 72 A 5 VAL H A 5 VAL HA 1.0 1.0 2.90 99 73 A 5 VAL HA A 7 ALA H 1.0 1.0 3.61 100 74 A 9 VAL H A 6 LEU HA 1.0 1.0 3.70 101 75 A 4 GLY H A 4 GLY HAy 1.0 1.0 2.52 102 75 A 4 GLY H A 4 GLY HAx 1.0 1.0 2.52 103 76 A 7 ALA H A 4 GLY HAy 1.0 1.0 5.50 104 76 A 7 ALA H A 4 GLY HAx 1.0 1.0 5.50 105 77 A 3 PHE HA A 3 PHE HBy 1.0 1.0 3.02 106 77 A 3 PHE HBx A 3 PHE HA 1.0 1.0 3.02 107 78 A 6 LEU H A 3 PHE HA 1.0 1.0 3.67 108 79 A 7 ALA H A 3 PHE HA 1.0 1.0 4.60 109 80 A 3 PHE HA A 3 PHE HBy 1.0 1.0 3.02 110 80 A 3 PHE HBx A 3 PHE HA 1.0 1.0 3.02 111 81 A 8 LYS H A 8 LYS HBy 1.0 1.0 2.99 112 81 A 8 LYS H A 8 LYS HBx 1.0 1.0 2.99 113 82 A 9 VAL H A 8 LYS HBy 1.0 1.0 3.73 114 82 A 9 VAL H A 8 LYS HBx 1.0 1.0 3.73 115 83 A 17 ILE HA A 17 ILE HB 1.0 1.0 3.02 116 84 A 18 ALA H A 17 ILE HB 1.0 1.0 2.74 117 85 A 14 VAL HA A 17 ILE HB 1.0 1.0 3.14 118 86 A 17 ILE H A 17 ILE HB 1.0 1.0 2.59 119 87 A 17 ILE HA A 20 HIS HBx 1.0 1.0 4.27 120 87 A 17 ILE HA A 20 HIS HBy 1.0 1.0 4.27 121 88 A 21 PHE H A 20 HIS HBx 1.0 1.0 4.27 122 88 A 21 PHE H A 20 HIS HBy 1.0 1.0 4.27 123 89 A 20 HIS H A 20 HIS HBx 1.0 1.0 3.59 124 89 A 20 HIS H A 20 HIS HBy 1.0 1.0 3.59 125 90 A 20 HIS H A 21 PHE H 1.0 1.0 2.96 126 91 A 20 HIS H A 19 GLU H 1.0 1.0 2.74 127 92 A 19 GLU H A 18 ALA H 1.0 1.0 2.87 128 93 A 20 HIS HD2 A 19 GLU HBy 1.0 1.0 5.50 129 93 A 19 GLU HBx A 20 HIS HD2 1.0 1.0 5.50 130 94 A 9 VAL HA A 12 HIS HD2 1.0 1.0 3.55 131 95 A 20 HIS HD2 A 21 PHE HA 1.0 1.0 5.50 132 96 A 21 PHE HA A 21 PHE HD% 1.0 1.0 6.02 133 97 A 18 ALA HA A 21 PHE HD% 1.0 1.0 7.63 134 98 A 12 HIS HD2 A 12 HIS HA 1.0 1.0 5.28 135 99 A 20 HIS HD2 A 21 PHE HE% 1.0 1.0 7.63 136 100 A 20 HIS HD2 A 21 PHE HD% 1.0 1.0 7.63 137 101 A 20 HIS H A 20 HIS HD2 1.0 1.0 5.41 138 102 A 3 PHE HD% A 6 LEU HBy 1.0 1.0 5.50 139 102 A 6 LEU HBx A 3 PHE HD% 1.0 1.0 5.50 140 103 A 17 ILE HA A 20 HIS HD2 1.0 1.0 4.88 141 104 A 17 ILE HA A 21 PHE HD% 1.0 1.0 7.29 142 105 A 9 VAL HB A 12 HIS HD2 1.0 1.0 5.50 143 106 A 19 GLU H A 19 GLU HGy 1.0 1.0 5.50 144 106 A 19 GLU H A 19 GLU HGx 1.0 1.0 5.50 145 107 A 21 PHE H A 21 PHE HD% 1.0 1.0 6.73 146 108 A 8 LYS H A 8 LYS HDx 1.0 1.0 6.38 147 108 A 8 LYS H A 8 LYS HDy 1.0 1.0 6.38 148 109 A 8 LYS HA A 8 LYS HDx 1.0 1.0 6.38 149 109 A 8 LYS HA A 8 LYS HDy 1.0 1.0 6.38 150 110 A 20 HIS HA A 20 HIS HD2 1.0 1.0 5.00 151 111 A 6 LEU H A 6 LEU HG 1.0 1.0 3.42 152 112 A 19 GLU H A 19 GLU HGy 1.0 1.0 5.50 153 112 A 19 GLU H A 19 GLU HGx 1.0 1.0 5.50 154 113 A 3 PHE HA A 3 PHE HD% 1.0 1.0 3.55 155 114 A 21 PHE HE% A 20 HIS HBx 1.0 1.0 8.51 156 114 A 20 HIS HBy A 21 PHE HE% 1.0 1.0 8.51 157 115 A 21 PHE HD% A 20 HIS HBx 1.0 1.0 8.51 158 115 A 20 HIS HBy A 21 PHE HD% 1.0 1.0 8.51 159 116 A 14 VAL HA A 14 VAL HGx% 1.0 1.0 4.13 160 116 A 14 VAL HA A 14 VAL HGy% 1.0 1.0 4.13 161 117 A 15 GLY H A 14 VAL HGx% 1.0 1.0 5.78 162 117 A 15 GLY H A 14 VAL HGy% 1.0 1.0 5.78 163 118 A 14 VAL H A 14 VAL HGx% 1.0 1.0 5.71 164 118 A 14 VAL H A 14 VAL HGy% 1.0 1.0 5.71 165 119 A 10 ALA H A 9 VAL HGx% 1.0 1.0 6.52 166 119 A 10 ALA H A 9 VAL HGy% 1.0 1.0 6.52 167 120 A 9 VAL H A 9 VAL HGx% 1.0 1.0 4.54 168 120 A 9 VAL H A 9 VAL HGy% 1.0 1.0 4.54 169 121 A 5 VAL H A 5 VAL HGx% 1.0 1.0 5.06 170 121 A 5 VAL H A 5 VAL HGy% 1.0 1.0 5.06 171 122 A 6 LEU H A 5 VAL HGx% 1.0 1.0 6.30 172 122 A 6 LEU H A 5 VAL HGy% 1.0 1.0 6.30 173 123 A 5 VAL HA A 5 VAL HGx% 1.0 1.0 3.82 174 123 A 5 VAL HA A 5 VAL HGy% 1.0 1.0 3.82 175 124 A 20 HIS HD2 A 16 ALA HB% 1.0 1.0 6.52 176 125 A 13 VAL HA A 16 ALA HB% 1.0 1.0 3.88 177 126 A 16 ALA H A 16 ALA HB% 1.0 1.0 3.54 178 127 A 17 ILE H A 16 ALA HB% 1.0 1.0 4.26 179 128 A 6 LEU H A 6 LEU HDx% 1.0 1.0 6.52 180 128 A 6 LEU H A 6 LEU HDy% 1.0 1.0 6.52 181 129 A 8 LYS H A 7 ALA HB% 1.0 1.0 4.38 182 130 A 7 ALA HB% A 4 GLY HAy 1.0 1.0 4.60 183 130 A 4 GLY HAx A 7 ALA HB% 1.0 1.0 4.60 184 131 A 7 ALA H A 7 ALA HB% 1.0 1.0 3.60 185 132 A 7 ALA HB% A 4 GLY HAy 1.0 1.0 6.52 186 132 A 4 GLY HAx A 7 ALA HB% 1.0 1.0 6.52 187 133 A 14 VAL HA A 14 VAL HGx% 1.0 1.0 4.13 188 133 A 14 VAL HA A 14 VAL HGy% 1.0 1.0 4.13 189 134 A 15 GLY H A 14 VAL HGx% 1.0 1.0 5.78 190 134 A 15 GLY H A 14 VAL HGy% 1.0 1.0 5.78 191 135 A 14 VAL H A 14 VAL HGx% 1.0 1.0 5.71 192 135 A 14 VAL H A 14 VAL HGy% 1.0 1.0 5.71 193 136 A 5 VAL H A 5 VAL HGx% 1.0 1.0 5.06 194 136 A 5 VAL H A 5 VAL HGy% 1.0 1.0 5.06 195 137 A 6 LEU H A 5 VAL HGx% 1.0 1.0 6.30 196 137 A 6 LEU H A 5 VAL HGy% 1.0 1.0 6.30 197 138 A 5 VAL HA A 5 VAL HGx% 1.0 1.0 3.82 198 138 A 5 VAL HA A 5 VAL HGy% 1.0 1.0 3.82 199 139 A 17 ILE HA A 17 ILE HD1% 1.0 1.0 5.50 200 140 A 14 VAL HA A 17 ILE HD1% 1.0 1.0 4.72 201 141 A 17 ILE H A 17 ILE HD1% 1.0 1.0 5.34 202 142 A 10 ALA H A 9 VAL HGx% 1.0 1.0 6.52 203 142 A 10 ALA H A 9 VAL HGy% 1.0 1.0 6.52 204 143 A 9 VAL H A 9 VAL HGx% 1.0 1.0 4.54 205 143 A 9 VAL H A 9 VAL HGy% 1.0 1.0 4.54 206 144 A 6 LEU H A 6 LEU HDx% 1.0 1.0 6.52 207 144 A 6 LEU H A 6 LEU HDy% 1.0 1.0 6.52 208 145 A 7 ALA HA A 10 ALA HB% 1.0 1.0 4.50 209 146 A 10 ALA H A 10 ALA HB% 1.0 1.0 3.82 210 147 A 18 ALA HB% A 15 GLY HAy 1.0 1.0 4.66 211 147 A 15 GLY HAx A 18 ALA HB% 1.0 1.0 4.66 212 148 A 20 HIS HD2 A 18 ALA HB% 1.0 1.0 6.52 213 149 A 18 ALA HB% A 15 GLY HAy 1.0 1.0 5.03 214 149 A 15 GLY HAx A 18 ALA HB% 1.0 1.0 5.03 215 150 A 18 ALA H A 18 ALA HB% 1.0 1.0 3.51 216 151 A 19 GLU H A 18 ALA HB% 1.0 1.0 3.95 217 152 A 18 ALA HA A 17 ILE HG2% 1.0 1.0 5.19 218 153 A 21 PHE HE% A 17 ILE HG2% 1.0 1.0 7.84 219 154 A 17 ILE HA A 17 ILE HG2% 1.0 1.0 3.70 220 155 A 18 ALA H A 17 ILE HG2% 1.0 1.0 4.97 221 156 A 21 PHE HD% A 17 ILE HG2% 1.0 1.0 7.10 222 157 A 17 ILE H A 17 ILE HG2% 1.0 1.0 4.88 223 158 A 2 LEU HA A 2 LEU HBy 1.0 1.0 2.58 224 158 A 2 LEU HA A 2 LEU HBx 1.0 1.0 2.58 225 159 A 2 LEU HA A 2 LEU HDx% 1.0 1.0 4.08 226 159 A 2 LEU HA A 2 LEU HDy% 1.0 1.0 4.08 227 160 A 2 LEU HA A 5 VAL HGx% 1.0 1.0 4.48 228 160 A 2 LEU HA A 5 VAL HGy% 1.0 1.0 4.48 229 161 A 3 PHE H A 2 LEU HBy 1.0 1.0 3.18 230 161 A 3 PHE H A 2 LEU HBx 1.0 1.0 3.18 231 162 A 3 PHE HD% A 2 LEU HBy 1.0 1.0 5.08 232 162 A 3 PHE HD% A 2 LEU HBx 1.0 1.0 5.08 233 163 A 3 PHE HD% A 2 LEU HDx% 1.0 1.0 4.59 234 163 A 3 PHE HD% A 2 LEU HDy% 1.0 1.0 4.59 235 164 A 3 PHE HA A 6 LEU HDx% 1.0 1.0 5.05 236 164 A 3 PHE HA A 6 LEU HDy% 1.0 1.0 5.05 237 165 A 4 GLY H A 3 PHE HBy 1.0 1.0 3.26 238 165 A 3 PHE HBx A 4 GLY H 1.0 1.0 3.26 239 166 A 5 VAL H A 5 VAL HGx% 1.0 1.0 3.79 240 166 A 5 VAL H A 5 VAL HGy% 1.0 1.0 3.79 241 167 A 5 VAL HA A 8 LYS HBy 1.0 1.0 3.69 242 167 A 5 VAL HA A 8 LYS HBx 1.0 1.0 3.69 243 168 A 6 LEU H A 5 VAL HGx% 1.0 1.0 5.17 244 168 A 6 LEU H A 5 VAL HGy% 1.0 1.0 5.17 245 169 A 6 LEU HA A 6 LEU HDx% 1.0 1.0 4.20 246 169 A 6 LEU HA A 6 LEU HDy% 1.0 1.0 4.20 247 170 A 6 LEU HA A 9 VAL HGx% 1.0 1.0 3.90 248 170 A 6 LEU HA A 9 VAL HGy% 1.0 1.0 3.90 249 171 A 8 LYS H A 8 LYS HBy 1.0 1.0 2.60 250 171 A 8 LYS H A 8 LYS HBx 1.0 1.0 2.60 251 172 A 8 LYS H A 8 LYS HGy 1.0 1.0 3.76 252 172 A 8 LYS H A 8 LYS HGx 1.0 1.0 3.76 253 173 A 8 LYS HA A 8 LYS HGy 1.0 1.0 3.72 254 173 A 8 LYS HA A 8 LYS HGx 1.0 1.0 3.72 255 174 A 9 VAL H A 9 VAL HGx% 1.0 1.0 3.74 256 174 A 9 VAL H A 9 VAL HGy% 1.0 1.0 3.74 257 175 A 10 ALA H A 9 VAL HGx% 1.0 1.0 4.99 258 175 A 10 ALA H A 9 VAL HGy% 1.0 1.0 4.99 259 176 A 10 ALA HA A 13 VAL HGx% 1.0 1.0 6.42 260 176 A 10 ALA HA A 13 VAL HGy% 1.0 1.0 6.42 261 177 A 10 ALA HB% A 13 VAL HGx% 1.0 1.0 6.92 262 177 A 10 ALA HB% A 13 VAL HGy% 1.0 1.0 6.92 263 178 A 15 GLY H A 14 VAL HGx% 1.0 1.0 5.03 264 178 A 15 GLY H A 14 VAL HGy% 1.0 1.0 5.03 265 179 A 17 ILE H A 17 ILE HG1y 1.0 1.0 2.87 266 179 A 17 ILE H A 17 ILE HG1x 1.0 1.0 2.87 267 180 A 17 ILE HA A 17 ILE HG1y 1.0 1.0 3.08 268 180 A 17 ILE HA A 17 ILE HG1x 1.0 1.0 3.08 269 181 A 18 ALA H A 17 ILE HG1y 1.0 1.0 5.34 270 181 A 18 ALA H A 17 ILE HG1x 1.0 1.0 5.34 271 182 A 20 HIS HD2 A 17 ILE HG1y 1.0 1.0 5.34 272 182 A 20 HIS HD2 A 17 ILE HG1x 1.0 1.0 5.34 273 183 A 18 ALA HA A 21 PHE HBy 1.0 1.0 3.49 274 183 A 18 ALA HA A 21 PHE HBx 1.0 1.0 3.49 275 184 A 21 PHE H A 21 PHE HBy 1.0 1.0 2.57 276 184 A 21 PHE H A 21 PHE HBx 1.0 1.0 2.57 277 185 A 21 PHE HA A 21 PHE HBy 1.0 1.0 2.63 278 185 A 21 PHE HBx A 21 PHE HA 1.0 1.0 2.63 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin pre _nef_distance_restraint_list.potential_type undefined 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 LEU N A 2 LEU CA A 2 LEU C 1.0 -90.0 -30.0 PHI 2 2 A 2 LEU N A 2 LEU CA A 2 LEU C A 3 PHE N 1.0 -73.0 -13.0 PSI 3 3 A 2 LEU C A 3 PHE N A 3 PHE CA A 3 PHE C 1.0 -92.0 -32.0 PHI 4 4 A 3 PHE N A 3 PHE CA A 3 PHE C A 4 GLY N 1.0 -68.0 -8.0 PSI 5 5 A 3 PHE C A 4 GLY N A 4 GLY CA A 4 GLY C 1.0 -96.0 -36.0 PHI 6 6 A 4 GLY N A 4 GLY CA A 4 GLY C A 5 VAL N 1.0 -69.0 -9.0 PSI 7 7 A 4 GLY C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -97.0 -37.0 PHI 8 8 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 LEU N 1.0 -73.0 -13.0 PSI 9 9 A 5 VAL C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -96.0 -36.0 PHI 10 10 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 ALA N 1.0 -69.0 -9.0 PSI 11 11 A 6 LEU C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -97.0 -37.0 PHI 12 12 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 LYS N 1.0 -68.0 -8.0 PSI 13 13 A 7 ALA C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -107.0 -47.0 PHI 14 14 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 VAL N 1.0 -53.0 7.0 PSI 15 15 A 12 HIS C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -92.0 -32.0 PHI 16 16 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 VAL N 1.0 -71.0 -11.0 PSI 17 17 A 13 VAL C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -94.0 -34.0 PHI 18 18 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 GLY N 1.0 -72.0 -12.0 PSI 19 19 A 14 VAL C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 -95.0 -35.0 PHI 20 20 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 ALA N 1.0 -68.0 -8.0 PSI 21 21 A 15 GLY C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -94.0 -34.0 PHI 22 22 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 ILE N 1.0 -73.0 -13.0 PSI 23 23 A 16 ALA C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -97.0 -37.0 PHI 24 24 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 ALA N 1.0 -71.0 -11.0 PSI 25 25 A 17 ILE C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -93.0 -33.0 PHI 26 26 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 GLU N 1.0 -71.0 -11.0 PSI 27 27 A 18 ALA C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -99.0 -39.0 PHI 28 28 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 HIS N 1.0 -68.0 -8.0 PSI 29 29 A 19 GLU C A 20 HIS N A 20 HIS CA A 20 HIS C 1.0 -95.0 -35.0 PHI 30 30 A 20 HIS N A 20 HIS CA A 20 HIS C A 21 PHE N 1.0 -69.0 -9.0 PSI 31 31 A 20 HIS N A 20 HIS CA A 20 HIS C A 21 PHE N 1.0 -69.0 -9.0 PSI stop_ save_