data_nef_c26038_2ncw 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 26036 BMRB 26037 PDB 2NCW stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 TRP start . . 2 A 2 TRP middle . . 3 A 3 TRP middle . . 4 A 4 LYS middle . . 5 A 5 TYR middle . . 6 A 6 GLU middle . . 7 A 7 ILE middle . . 8 A 8 THR middle . . 9 A 9 THR middle . . 10 A 10 ILE middle . . 11 A 11 HIS middle . . 12 A 12 ASN middle . . 13 A 13 LEU middle . . 14 A 14 PHE middle . . 15 A 15 ARG middle . . 16 A 16 LYS middle . . 17 A 17 LEU middle . . 18 A 18 THR middle . . 19 A 19 HIS middle . . 20 A 20 ARG middle . . 21 A 21 LEU middle . . 22 A 22 PHE middle . . 23 A 23 ARG middle . . 24 A 24 ARG 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 TRP HA H 1 4.238 0.002 A 1 TRP HB2 H 1 3.133 0.006 A 1 TRP HB3 H 1 3.012 0.003 A 1 TRP HD1 H 1 7.055 0.004 A 1 TRP HZ2 H 1 7.470 0.004 A 2 TRP H H 1 8.232 0.003 A 2 TRP HA H 1 4.612 0.002 A 2 TRP HBx H 1 3.154 0.003 A 2 TRP HBy H 1 3.154 0.003 A 2 TRP HD1 H 1 7.124 0.004 A 2 TRP HZ2 H 1 7.521 0.004 A 3 TRP H H 1 7.558 0.003 A 3 TRP HA H 1 4.424 0.002 A 3 TRP HB2 H 1 2.950 0.003 A 3 TRP HB3 H 1 2.809 0.003 A 3 TRP HD1 H 1 6.924 0.004 A 3 TRP HZ2 H 1 7.307 0.004 A 4 LYS H H 1 7.614 0.002 A 4 LYS HA H 1 3.980 0.004 A 4 LYS HBx H 1 1.486 0.001 A 4 LYS HBy H 1 1.486 0.001 A 4 LYS HDx H 1 0.975 0.004 A 4 LYS HDy H 1 0.975 0.004 A 4 LYS HGx H 1 1.204 0.003 A 4 LYS HGy H 1 1.204 0.003 A 5 TYR H H 1 8.705 0.003 A 5 TYR HA H 1 4.470 0.002 A 5 TYR HB2 H 1 2.967 0.003 A 5 TYR HB3 H 1 2.806 0.002 A 5 TYR HDx H 1 7.020 0.004 A 5 TYR HDy H 1 7.020 0.004 A 5 TYR HEx H 1 6.771 0.002 A 5 TYR HEy H 1 6.771 0.002 A 6 GLU H H 1 8.171 0.006 A 6 GLU HA H 1 4.291 0.002 A 6 GLU HB2 H 1 1.996 0.003 A 6 GLU HB3 H 1 1.893 0.002 A 6 GLU HGx H 1 2.219 0.001 A 6 GLU HGy H 1 2.219 0.001 A 7 ILE H H 1 8.201 0.002 A 7 ILE HA H 1 4.222 0.002 A 7 ILE HB H 1 1.846 0.001 A 7 ILE HD11 H 1 0.830 0.002 A 7 ILE HD12 H 1 0.830 0.002 A 7 ILE HD13 H 1 0.830 0.002 A 7 ILE HG12 H 1 1.444 0.002 A 7 ILE HG13 H 1 1.201 0.002 A 7 ILE HG21 H 1 0.888 0.002 A 7 ILE HG22 H 1 0.888 0.002 A 7 ILE HG23 H 1 0.888 0.002 A 8 THR H H 1 8.118 0.001 A 8 THR HA H 1 4.392 0.002 A 8 THR HB H 1 4.247 0.002 A 8 THR HG2% H 1 1.148 0.001 A 9 THR H H 1 8.098 0.001 A 9 THR HA H 1 4.338 0.002 A 9 THR HB H 1 4.103 0.002 A 9 THR HG2% H 1 1.145 0.001 A 10 ILE H H 1 8.041 0.002 A 10 ILE HA H 1 4.077 0.002 A 10 ILE HB H 1 1.805 0.001 A 10 ILE HD11 H 1 0.828 0.002 A 10 ILE HD12 H 1 0.828 0.002 A 10 ILE HD13 H 1 0.828 0.002 A 10 ILE HG12 H 1 1.379 0.002 A 10 ILE HG13 H 1 1.145 0.002 A 10 ILE HG21 H 1 0.890 0.002 A 10 ILE HG22 H 1 0.890 0.002 A 10 ILE HG23 H 1 0.890 0.002 A 11 HIS H H 1 8.566 0.001 A 11 HIS HA H 1 4.675 0.001 A 11 HIS HB2 H 1 3.246 0.001 A 11 HIS HB3 H 1 3.140 0.002 A 12 ASN H H 1 8.425 0.001 A 12 ASN HA H 1 4.619 0.003 A 12 ASN HBx H 1 2.762 0.001 A 12 ASN HBy H 1 2.762 0.001 A 12 ASN HD21 H 1 6.937 0.002 A 12 ASN HD22 H 1 7.612 0.002 A 13 LEU H H 1 8.197 0.002 A 13 LEU HA H 1 4.396 0.003 A 13 LEU HBx H 1 1.512 0.002 A 13 LEU HBy H 1 1.512 0.002 A 13 LEU HDx% H 1 0.828 0.001 A 13 LEU HDy% H 1 0.828 0.001 A 13 LEU HG H 1 1.444 0.003 A 14 PHE H H 1 8.196 0.002 A 14 PHE HA H 1 4.587 0.002 A 14 PHE HB2 H 1 3.140 0.002 A 14 PHE HB3 H 1 3.038 0.002 A 14 PHE HDx H 1 7.231 0.002 A 14 PHE HDy H 1 7.231 0.002 A 14 PHE HEx H 1 7.327 0.002 A 14 PHE HEy H 1 7.327 0.002 A 15 ARG H H 1 8.058 0.003 A 15 ARG HA H 1 4.250 0.011 A 15 ARG HB2 H 1 1.795 0.005 A 15 ARG HB3 H 1 1.708 0.002 A 15 ARG HDx H 1 3.146 0.003 A 15 ARG HDy H 1 3.146 0.003 A 15 ARG HGx H 1 1.553 0.003 A 15 ARG HGy H 1 1.553 0.003 A 16 LYS H H 1 8.333 0.002 A 16 LYS HA H 1 4.332 0.004 A 16 LYS HB2 H 1 1.789 0.001 A 16 LYS HB3 H 1 1.721 0.001 A 16 LYS HDx H 1 1.641 0.004 A 16 LYS HDy H 1 1.641 0.004 A 16 LYS HGx H 1 1.468 0.003 A 16 LYS HGy H 1 1.468 0.003 A 17 LEU H H 1 8.334 0.002 A 17 LEU HA H 1 4.399 0.003 A 17 LEU HBx H 1 1.547 0.002 A 17 LEU HBy H 1 1.547 0.002 A 17 LEU HDx% H 1 0.866 0.001 A 17 LEU HDy% H 1 0.866 0.001 A 17 LEU HG H 1 1.480 0.003 A 18 THR H H 1 8.125 0.001 A 18 THR HA H 1 4.311 0.002 A 18 THR HB H 1 4.162 0.002 A 18 THR HG2% H 1 1.142 0.001 A 19 HIS H H 1 8.477 0.003 A 19 HIS HA H 1 4.713 0.001 A 19 HIS HB2 H 1 3.252 0.001 A 19 HIS HB3 H 1 3.140 0.002 A 20 ARG H H 1 8.449 0.003 A 20 ARG HA H 1 4.264 0.002 A 20 ARG HBx H 1 1.703 0.003 A 20 ARG HBy H 1 1.703 0.003 A 20 ARG HDx H 1 3.114 0.003 A 20 ARG HDy H 1 3.114 0.003 A 20 ARG HGx H 1 1.527 0.003 A 20 ARG HGy H 1 1.527 0.003 A 21 LEU H H 1 8.267 0.002 A 21 LEU HA H 1 4.253 0.003 A 21 LEU HBx H 1 1.556 0.002 A 21 LEU HBy H 1 1.556 0.002 A 21 LEU HDx% H 1 0.846 0.001 A 21 LEU HDy% H 1 0.846 0.001 A 21 LEU HG H 1 1.439 0.003 A 22 PHE H H 1 8.312 0.003 A 22 PHE HA H 1 4.619 0.004 A 22 PHE HB2 H 1 3.088 0.002 A 22 PHE HB3 H 1 2.991 0.002 A 22 PHE HDx H 1 7.208 0.002 A 22 PHE HDy H 1 7.208 0.002 A 22 PHE HEx H 1 7.291 0.002 A 22 PHE HEy H 1 7.291 0.002 A 23 ARG H H 1 8.227 0.003 A 23 ARG HA H 1 4.291 0.002 A 23 ARG HBx H 1 1.667 0.003 A 23 ARG HBy H 1 1.667 0.003 A 23 ARG HDx H 1 3.155 0.003 A 23 ARG HDy H 1 3.155 0.003 A 23 ARG HGx H 1 1.538 0.003 A 23 ARG HGy H 1 1.538 0.003 A 24 ARG HA H 1 4.120 0.002 A 24 ARG HB2 H 1 1.820 0.003 A 24 ARG HB3 H 1 1.700 0.002 A 24 ARG HDx H 1 3.196 0.003 A 24 ARG HDy H 1 3.196 0.003 A 24 ARG HGx H 1 1.594 0.003 A 24 ARG HGy H 1 1.594 0.003 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 TRP H1 A 1 TRP HB2 1.0 . 3.5 2 1 A 1 TRP HB3 A 1 TRP H1 1.0 . 3.5 3 2 A 1 TRP HD1 A 1 TRP HB2 1.0 . 3.8 4 2 A 1 TRP HB3 A 1 TRP HD1 1.0 . 3.8 5 3 A 1 TRP HA A 2 TRP H 1.0 . 3.5 6 4 A 2 TRP H A 1 TRP HB2 1.0 . 3.8 7 4 A 1 TRP HB3 A 2 TRP H 1.0 . 3.8 8 5 A 2 TRP HD1 A 2 TRP HBx 1.0 . 3.8 9 5 A 2 TRP HBy A 2 TRP HD1 1.0 . 3.8 10 6 A 2 TRP H A 2 TRP HBx 1.0 . 3.5 11 6 A 2 TRP H A 2 TRP HBy 1.0 . 3.5 12 7 A 2 TRP HA A 3 TRP H 1.0 . 3.5 13 8 A 3 TRP H A 2 TRP HBx 1.0 . 3.8 14 8 A 2 TRP HBy A 3 TRP H 1.0 . 3.8 15 9 A 3 TRP H A 3 TRP HB3 1.0 . 3.5 16 9 A 3 TRP H A 3 TRP HB2 1.0 . 3.5 17 10 A 3 TRP HD1 A 3 TRP HB3 1.0 . 4.0 18 10 A 3 TRP HB2 A 3 TRP HD1 1.0 . 4.0 19 11 A 3 TRP HA A 4 LYS H 1.0 . 3.5 20 12 A 4 LYS H A 3 TRP HB3 1.0 . 3.8 21 12 A 3 TRP HB2 A 4 LYS H 1.0 . 3.8 22 13 A 4 LYS HA A 5 TYR H 1.0 . 3.3 23 14 A 5 TYR H A 4 LYS HBx 1.0 . 4.0 24 14 A 5 TYR H A 4 LYS HBy 1.0 . 4.0 25 15 A 5 TYR H A 5 TYR HB2 1.0 . 3.5 26 15 A 5 TYR H A 5 TYR HB3 1.0 . 3.5 27 16 A 5 TYR HA A 5 TYR HDx 1.0 . 4.0 28 16 A 5 TYR HA A 5 TYR HDy 1.0 . 4.0 29 17 A 5 TYR HB3 A 5 TYR HDx 1.0 . 4.0 30 17 A 5 TYR HB3 A 5 TYR HDy 1.0 . 4.0 31 17 A 5 TYR HB2 A 5 TYR HDx 1.0 . 4.0 32 17 A 5 TYR HDy A 5 TYR HB2 1.0 . 4.0 33 18 A 5 TYR HA A 5 TYR HEx 1.0 . 4.5 34 18 A 5 TYR HA A 5 TYR HEy 1.0 . 4.5 35 19 A 5 TYR HB3 A 5 TYR HEx 1.0 . 4.5 36 19 A 5 TYR HEy A 5 TYR HB2 1.0 . 4.5 37 19 A 5 TYR HB2 A 5 TYR HEx 1.0 . 4.5 38 19 A 5 TYR HB3 A 5 TYR HEy 1.0 . 4.5 39 20 A 5 TYR HA A 6 GLU H 1.0 . 3.5 40 21 A 6 GLU H A 5 TYR HB2 1.0 . 3.8 41 21 A 5 TYR HB3 A 6 GLU H 1.0 . 3.8 42 22 A 6 GLU H A 6 GLU HB2 1.0 . 3.8 43 23 A 6 GLU H A 6 GLU HB3 1.0 . 3.8 44 24 A 6 GLU H A 6 GLU HGx 1.0 . 3.8 45 24 A 6 GLU H A 6 GLU HGy 1.0 . 3.8 46 25 A 6 GLU HA A 7 ILE H 1.0 . 3.5 47 26 A 6 GLU HB2 A 7 ILE H 1.0 . 3.8 48 27 A 7 ILE H A 6 GLU HGx 1.0 . 4.0 49 27 A 6 GLU HGy A 7 ILE H 1.0 . 4.0 50 28 A 7 ILE H A 7 ILE HB 1.0 . 3.5 51 29 A 7 ILE H A 7 ILE HG12 1.0 . 4.5 52 30 A 7 ILE H A 7 ILE HG21 1.0 . 4.0 53 31 A 7 ILE HA A 8 THR H 1.0 . 3.5 54 32 A 7 ILE HB A 8 THR H 1.0 . 3.8 55 33 A 7 ILE HG12 A 8 THR H 1.0 . 4.5 56 34 A 7 ILE HG21 A 8 THR H 1.0 . 4.5 57 35 A 8 THR H A 8 THR HB 1.0 . 3.5 58 36 A 8 THR H A 8 THR HG2% 1.0 . 3.8 59 37 A 8 THR HA A 9 THR H 1.0 . 3.5 60 38 A 8 THR HB A 9 THR H 1.0 . 3.8 61 39 A 8 THR HG2% A 9 THR H 1.0 . 4.0 62 40 A 9 THR H A 9 THR HB 1.0 . 3.5 63 41 A 9 THR H A 9 THR HG2% 1.0 . 3.8 64 42 A 9 THR HA A 10 ILE H 1.0 . 3.5 65 43 A 9 THR HB A 10 ILE H 1.0 . 4.2 66 44 A 9 THR HG2% A 10 ILE H 1.0 . 4.2 67 45 A 10 ILE H A 10 ILE HB 1.0 . 3.5 68 46 A 10 ILE H A 10 ILE HG12 1.0 . 4.6 69 47 A 10 ILE H A 10 ILE HG21 1.0 . 4.0 70 48 A 10 ILE HA A 11 HIS H 1.0 . 3.5 71 49 A 10 ILE HB A 11 HIS H 1.0 . 4.0 72 50 A 10 ILE HG12 A 11 HIS H 1.0 . 5.0 73 51 A 10 ILE HG21 A 11 HIS H 1.0 . 4.8 74 52 A 11 HIS H A 11 HIS HB2 1.0 . 3.5 75 53 A 11 HIS H A 11 HIS HB3 1.0 . 3.5 76 54 A 11 HIS HA A 12 ASN H 1.0 . 3.5 77 55 A 12 ASN H A 11 HIS HB2 1.0 . 4.0 78 56 A 12 ASN H A 11 HIS HB3 1.0 . 3.8 79 57 A 12 ASN H A 12 ASN HBx 1.0 . 3.5 80 57 A 12 ASN H A 12 ASN HBy 1.0 . 3.5 81 58 A 12 ASN HA A 13 LEU H 1.0 . 3.5 82 59 A 13 LEU H A 12 ASN HBx 1.0 . 3.8 83 59 A 12 ASN HBy A 13 LEU H 1.0 . 3.8 84 60 A 13 LEU H A 13 LEU HBx 1.0 . 3.5 85 60 A 13 LEU H A 13 LEU HBy 1.0 . 3.5 86 61 A 13 LEU H A 13 LEU HG 1.0 . 4.3 87 62 A 13 LEU H A 13 LEU HDx% 1.0 . 3.8 88 62 A 13 LEU H A 13 LEU HDy% 1.0 . 3.8 89 63 A 13 LEU HA A 14 PHE H 1.0 . 3.5 90 64 A 14 PHE H A 13 LEU HBx 1.0 . 3.8 91 64 A 13 LEU HBy A 14 PHE H 1.0 . 3.8 92 65 A 13 LEU HG A 14 PHE H 1.0 . 4.5 93 66 A 14 PHE H A 13 LEU HDx% 1.0 . 4.5 94 66 A 13 LEU HDy% A 14 PHE H 1.0 . 4.5 95 67 A 14 PHE HD% A 13 LEU HDx% 1.0 . 4.5 96 67 A 13 LEU HDy% A 14 PHE HD% 1.0 . 4.5 97 68 A 14 PHE HE% A 13 LEU HDx% 1.0 . 4.8 98 68 A 13 LEU HDy% A 14 PHE HE% 1.0 . 4.8 99 69 A 13 LEU HG A 14 PHE HD% 1.0 . 4.8 100 70 A 14 PHE H A 14 PHE HB2 1.0 . 3.5 101 70 A 14 PHE H A 14 PHE HB3 1.0 . 3.5 102 71 A 14 PHE HD% A 14 PHE HA 1.0 . 4.0 103 72 A 14 PHE HD% A 14 PHE HB2 1.0 . 3.9 104 72 A 14 PHE HD% A 14 PHE HB3 1.0 . 3.9 105 73 A 14 PHE HE% A 14 PHE HB2 1.0 . 4.2 106 73 A 14 PHE HE% A 14 PHE HB3 1.0 . 4.2 107 74 A 14 PHE HA A 15 ARG H 1.0 . 3.5 108 75 A 15 ARG H A 14 PHE HB2 1.0 . 3.8 109 75 A 14 PHE HB3 A 15 ARG H 1.0 . 3.8 110 76 A 15 ARG H A 15 ARG HB2 1.0 . 3.5 111 76 A 15 ARG H A 15 ARG HB3 1.0 . 3.5 112 77 A 15 ARG H A 15 ARG HGx 1.0 . 3.8 113 77 A 15 ARG H A 15 ARG HGy 1.0 . 3.8 114 78 A 15 ARG H A 15 ARG HDx 1.0 . 4.1 115 78 A 15 ARG H A 15 ARG HDy 1.0 . 4.1 116 79 A 15 ARG HA A 16 LYS H 1.0 . 3.5 117 80 A 16 LYS H A 15 ARG HB2 1.0 . 3.8 118 80 A 15 ARG HB3 A 16 LYS H 1.0 . 3.8 119 81 A 16 LYS H A 15 ARG HGx 1.0 . 4.0 120 81 A 15 ARG HGy A 16 LYS H 1.0 . 4.0 121 82 A 16 LYS H A 15 ARG HDx 1.0 . 4.2 122 82 A 15 ARG HDy A 16 LYS H 1.0 . 4.2 123 83 A 16 LYS H A 16 LYS HB2 1.0 . 3.5 124 83 A 16 LYS H A 16 LYS HB3 1.0 . 3.5 125 84 A 16 LYS H A 16 LYS HGx 1.0 . 4.2 126 84 A 16 LYS H A 16 LYS HGy 1.0 . 4.2 127 85 A 16 LYS H A 16 LYS HDx 1.0 . 4.5 128 85 A 16 LYS H A 16 LYS HDy 1.0 . 4.5 129 86 A 16 LYS HA A 17 LEU H 1.0 . 3.5 130 87 A 17 LEU H A 16 LYS HB2 1.0 . 3.9 131 87 A 16 LYS HB3 A 17 LEU H 1.0 . 3.9 132 88 A 17 LEU H A 16 LYS HGx 1.0 . 4.2 133 88 A 16 LYS HGy A 17 LEU H 1.0 . 4.2 134 89 A 17 LEU H A 16 LYS HDx 1.0 . 4.5 135 89 A 16 LYS HDy A 17 LEU H 1.0 . 4.5 136 90 A 17 LEU H A 17 LEU HBx 1.0 . 3.5 137 90 A 17 LEU H A 17 LEU HBy 1.0 . 3.5 138 91 A 17 LEU H A 17 LEU HG 1.0 . 4.5 139 92 A 17 LEU H A 17 LEU HDx% 1.0 . 3.8 140 92 A 17 LEU H A 17 LEU HDy% 1.0 . 3.8 141 93 A 17 LEU HA A 18 THR H 1.0 . 3.5 142 94 A 18 THR H A 17 LEU HBx 1.0 . 3.8 143 94 A 17 LEU HBy A 18 THR H 1.0 . 3.8 144 95 A 17 LEU HG A 18 THR H 1.0 . 4.5 145 96 A 18 THR H A 17 LEU HDx% 1.0 . 4.5 146 96 A 17 LEU HDy% A 18 THR H 1.0 . 4.5 147 97 A 18 THR H A 18 THR HB 1.0 . 3.5 148 98 A 18 THR H A 18 THR HG2% 1.0 . 3.8 149 99 A 18 THR HA A 19 HIS H 1.0 . 3.5 150 100 A 18 THR HB A 19 HIS H 1.0 . 3.8 151 101 A 18 THR HG2% A 19 HIS H 1.0 . 4.2 152 102 A 19 HIS H A 19 HIS HB2 1.0 . 3.8 153 103 A 19 HIS H A 19 HIS HB3 1.0 . 3.5 154 104 A 19 HIS HA A 20 ARG H 1.0 . 3.5 155 105 A 19 HIS HB2 A 20 ARG H 1.0 . 4.2 156 106 A 19 HIS HB3 A 20 ARG H 1.0 . 4.5 157 107 A 20 ARG H A 20 ARG HBx 1.0 . 3.5 158 107 A 20 ARG H A 20 ARG HBy 1.0 . 3.5 159 108 A 20 ARG H A 20 ARG HGx 1.0 . 4.0 160 108 A 20 ARG H A 20 ARG HGy 1.0 . 4.0 161 109 A 20 ARG H A 20 ARG HDx 1.0 . 4.0 162 109 A 20 ARG H A 20 ARG HDy 1.0 . 4.0 163 110 A 20 ARG HA A 21 LEU H 1.0 . 3.5 164 111 A 21 LEU H A 20 ARG HBx 1.0 . 4.5 165 111 A 20 ARG HBy A 21 LEU H 1.0 . 4.5 166 112 A 21 LEU H A 20 ARG HGx 1.0 . 4.5 167 112 A 20 ARG HGy A 21 LEU H 1.0 . 4.5 168 113 A 21 LEU H A 20 ARG HDx 1.0 . 4.8 169 113 A 20 ARG HDy A 21 LEU H 1.0 . 4.8 170 114 A 21 LEU H A 21 LEU HBx 1.0 . 3.5 171 114 A 21 LEU H A 21 LEU HBy 1.0 . 3.5 172 115 A 21 LEU H A 21 LEU HG 1.0 . 4.0 173 116 A 21 LEU H A 21 LEU HDx% 1.0 . 3.8 174 116 A 21 LEU H A 21 LEU HDy% 1.0 . 3.8 175 117 A 21 LEU HA A 22 PHE H 1.0 . 3.5 176 118 A 22 PHE H A 21 LEU HBx 1.0 . 3.8 177 118 A 21 LEU HBy A 22 PHE H 1.0 . 3.8 178 119 A 21 LEU HG A 22 PHE H 1.0 . 4.5 179 120 A 22 PHE H A 21 LEU HDx% 1.0 . 4.5 180 120 A 21 LEU HDy% A 22 PHE H 1.0 . 4.5 181 121 A 22 PHE H A 22 PHE HB2 1.0 . 3.5 182 121 A 22 PHE H A 22 PHE HB3 1.0 . 3.5 183 122 A 22 PHE HA A 22 PHE HD% 1.0 . 4.0 184 123 A 22 PHE HD% A 22 PHE HB2 1.0 . 3.9 185 123 A 22 PHE HB3 A 22 PHE HD% 1.0 . 3.9 186 124 A 22 PHE HE% A 22 PHE HB2 1.0 . 4.2 187 124 A 22 PHE HB3 A 22 PHE HE% 1.0 . 4.2 188 125 A 22 PHE HA A 23 ARG H 1.0 . 3.5 189 126 A 23 ARG H A 22 PHE HB2 1.0 . 3.8 190 126 A 22 PHE HB3 A 23 ARG H 1.0 . 3.8 191 127 A 23 ARG H A 23 ARG HBx 1.0 . 3.5 192 127 A 23 ARG H A 23 ARG HBy 1.0 . 3.5 193 128 A 23 ARG H A 23 ARG HGx 1.0 . 4.0 194 128 A 23 ARG H A 23 ARG HGy 1.0 . 4.0 195 129 A 23 ARG H A 23 ARG HDx 1.0 . 4.0 196 129 A 23 ARG H A 23 ARG HDy 1.0 . 4.0 197 130 A 23 ARG HA A 24 ARG H 1.0 . 3.5 198 131 A 24 ARG H A 23 ARG HBx 1.0 . 4.5 199 131 A 23 ARG HBy A 24 ARG H 1.0 . 4.5 200 132 A 24 ARG H A 23 ARG HGx 1.0 . 4.5 201 132 A 23 ARG HGy A 24 ARG H 1.0 . 4.5 202 133 A 24 ARG H A 23 ARG HDx 1.0 . 4.8 203 133 A 23 ARG HDy A 24 ARG H 1.0 . 4.8 204 134 A 24 ARG H A 24 ARG HB2 1.0 . 3.5 205 134 A 24 ARG H A 24 ARG HB3 1.0 . 3.5 206 135 A 24 ARG H A 24 ARG HGx 1.0 . 4.0 207 135 A 24 ARG H A 24 ARG HGy 1.0 . 4.0 208 136 A 24 ARG H A 24 ARG HDx 1.0 . 4.0 209 136 A 24 ARG H A 24 ARG HDy 1.0 . 4.0 210 137 A 1 TRP H1 A 2 TRP H 1.0 . 3.8 211 138 A 2 TRP H A 3 TRP H 1.0 . 3.8 212 139 A 3 TRP H A 4 LYS H 1.0 . 3.8 213 140 A 4 LYS H A 5 TYR H 1.0 . 3.0 214 141 A 5 TYR H A 6 GLU H 1.0 . 2.8 215 142 A 6 GLU H A 7 ILE H 1.0 . 4.0 216 143 A 7 ILE H A 8 THR H 1.0 . 4.0 217 144 A 8 THR H A 9 THR H 1.0 . 4.0 218 145 A 9 THR H A 10 ILE H 1.0 . 4.0 219 146 A 10 ILE H A 11 HIS H 1.0 . 2.8 220 147 A 11 HIS H A 12 ASN H 1.0 . 2.8 221 148 A 12 ASN H A 13 LEU H 1.0 . 3.0 222 149 A 13 LEU H A 14 PHE H 1.0 . 3.8 223 150 A 14 PHE H A 15 ARG H 1.0 . 3.0 224 151 A 15 ARG H A 16 LYS H 1.0 . 3.2 225 152 A 16 LYS H A 17 LEU H 1.0 . 3.8 226 153 A 17 LEU H A 18 THR H 1.0 . 3.2 227 154 A 18 THR H A 19 HIS H 1.0 . 3.2 228 155 A 19 HIS H A 20 ARG H 1.0 . 3.8 229 156 A 20 ARG H A 21 LEU H 1.0 . 3.8 230 157 A 21 LEU H A 22 PHE H 1.0 . 3.8 231 158 A 22 PHE H A 23 ARG H 1.0 . 3.8 232 159 A 23 ARG H A 24 ARG H 1.0 . 3.2 233 160 A 5 TYR H A 7 ILE H 1.0 . 4.2 234 161 A 10 ILE H A 12 ASN H 1.0 . 4.2 235 162 A 11 HIS H A 13 LEU H 1.0 . 4.2 236 163 A 12 ASN H A 14 PHE H 1.0 . 4.2 237 164 A 13 LEU H A 15 ARG H 1.0 . 4.2 238 165 A 15 ARG H A 17 LEU H 1.0 . 4.2 239 166 A 17 LEU H A 19 HIS H 1.0 . 4.2 240 167 A 22 PHE H A 24 ARG H 1.0 . 4.2 241 168 A 1 TRP HA A 4 LYS H 1.0 . 4.8 242 169 A 2 TRP HA A 4 LYS H 1.0 . 4.5 243 170 A 4 LYS HA A 6 GLU H 1.0 . 4.8 244 171 A 4 LYS HA A 7 ILE H 1.0 . 3.8 245 172 A 9 THR HA A 11 HIS H 1.0 . 4.4 246 173 A 7 ILE HA A 11 HIS H 1.0 . 4.2 247 174 A 10 ILE HA A 13 LEU H 1.0 . 3.4 248 175 A 11 HIS HA A 14 PHE H 1.0 . 3.4 249 176 A 11 HIS HA A 15 ARG H 1.0 . 4.2 250 177 A 7 ILE HA A 10 ILE H 1.0 . 3.4 251 178 A 18 THR HA A 22 PHE H 1.0 . 4.2 252 179 A 19 HIS HA A 23 ARG H 1.0 . 4.4 253 180 A 18 THR HB A 21 LEU H 1.0 . 4.8 254 181 A 17 LEU HA A 21 LEU H 1.0 . 4.5 255 182 A 17 LEU HA A 20 ARG H 1.0 . 4.5 256 183 A 8 THR HA A 12 ASN H 1.0 . 4.5 257 184 A 10 ILE HA A 14 PHE H 1.0 . 4.2 258 185 A 14 PHE H A 11 HIS HB2 1.0 . 5.2 259 186 A 6 GLU H A 3 TRP HB3 1.0 . 4.2 260 187 A 7 ILE HG21 A 10 ILE H 1.0 . 4.2 261 188 A 10 ILE HG12 A 13 LEU H 1.0 . 4.4 262 189 A 10 ILE HB A 12 ASN H 1.0 . 4.9 263 190 A 12 ASN H A 10 ILE HD11 1.0 . 4.5 264 191 A 18 THR H A 15 ARG HB2 1.0 . 4.8 265 191 A 15 ARG HB3 A 18 THR H 1.0 . 4.8 266 192 A 18 THR HG2% A 22 PHE HD% 1.0 . 4.7 267 193 A 18 THR HG2% A 22 PHE HE% 1.0 . 4.7 268 194 A 10 ILE HG12 A 14 PHE HE% 1.0 . 3.8 269 195 A 10 ILE HG12 A 14 PHE HD% 1.0 . 4.0 270 196 A 14 PHE HD% A 10 ILE HD11 1.0 . 4.0 271 197 A 14 PHE HE% A 10 ILE HD11 1.0 . 4.0 272 198 A 10 ILE HG21 A 14 PHE HD% 1.0 . 3.8 273 199 A 10 ILE HG21 A 14 PHE HE% 1.0 . 3.8 274 200 A 18 THR HB A 22 PHE HD% 1.0 . 4.7 275 201 A 8 THR HB A 11 HIS HD2 1.0 . 4.3 276 202 A 8 THR HA A 11 HIS HB2 1.0 . 4.4 277 202 A 8 THR HA A 11 HIS HB3 1.0 . 4.4 278 203 A 9 THR HA A 12 ASN HBx 1.0 . 4.4 279 203 A 9 THR HA A 12 ASN HBy 1.0 . 4.4 280 204 A 10 ILE HA A 13 LEU HBx 1.0 . 4.4 281 204 A 10 ILE HA A 13 LEU HBy 1.0 . 4.4 282 205 A 12 ASN HA A 15 ARG HB2 1.0 . 4.4 283 205 A 12 ASN HA A 15 ARG HB3 1.0 . 4.4 284 206 A 14 PHE HA A 17 LEU HBx 1.0 . 4.4 285 206 A 14 PHE HA A 17 LEU HBy 1.0 . 4.4 286 207 A 8 THR HB A 12 ASN HD22 1.0 . 5.0 287 208 A 1 TRP HZ2 A 3 TRP HB3 1.0 . 4.9 288 209 A 1 TRP HD1 A 3 TRP HB3 1.0 . 4.4 289 210 A 3 TRP HA A 2 TRP HZ2 1.0 . 4.7 290 211 A 2 TRP HA A 4 LYS H 1.0 . 5.2 291 212 A 3 TRP HD1 A 5 TYR HEx 1.0 . 4.6 292 212 A 3 TRP HD1 A 5 TYR HEy 1.0 . 4.6 293 213 A 2 TRP HD1 A 3 TRP HA 1.0 . 5.0 294 214 A 2 TRP HD1 A 3 TRP HD1 1.0 . 5.0 295 215 A 4 LYS HBy A 5 TYR HDy 1.0 . 4.5 296 216 A 4 LYS HBy A 5 TYR HEy 1.0 . 4.9 297 217 A 2 TRP HD1 A 3 TRP HD1 1.0 . 5.0 298 218 A 1 TRP HD1 A 4 LYS HBx 1.0 . 4.5 299 218 A 1 TRP HD1 A 4 LYS HBy 1.0 . 4.5 300 219 A 1 TRP HD1 A 7 ILE HD11 1.0 . 4.5 301 220 A 1 TRP HZ2 A 7 ILE HD11 1.0 . 4.8 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _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 TRP C A 2 TRP N A 2 TRP CA A 2 TRP C 1.0 -120.0 -30.0 PHI 2 2 A 2 TRP N A 2 TRP CA A 2 TRP C A 3 TRP N 1.0 -120.0 120.0 PSI 3 3 A 2 TRP C A 3 TRP N A 3 TRP CA A 3 TRP C 1.0 -120.0 -30.0 PHI 4 4 A 3 TRP N A 3 TRP CA A 3 TRP C A 4 LYS N 1.0 -120.0 120.0 PSI 5 5 A 3 TRP C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -120.0 -30.0 PHI 6 6 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 TYR N 1.0 -120.0 120.0 PSI 7 7 A 4 LYS C A 5 TYR N A 5 TYR CA A 5 TYR C 1.0 -120.0 -30.0 PHI 8 8 A 5 TYR N A 5 TYR CA A 5 TYR C A 6 GLU N 1.0 -120.0 120.0 PSI 9 9 A 5 TYR C A 6 GLU N A 6 GLU CA A 6 GLU C 1.0 -120.0 -30.0 PHI 10 10 A 6 GLU N A 6 GLU CA A 6 GLU C A 7 ILE N 1.0 -120.0 120.0 PSI 11 11 A 6 GLU C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -120.0 -30.0 PHI 12 12 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 THR N 1.0 -120.0 120.0 PSI 13 13 A 7 ILE C A 8 THR N A 8 THR CA A 8 THR C 1.0 -120.0 -30.0 PHI 14 14 A 8 THR N A 8 THR CA A 8 THR C A 9 THR N 1.0 -120.0 120.0 PSI 15 15 A 8 THR C A 9 THR N A 9 THR CA A 9 THR C 1.0 -120.0 -30.0 PHI 16 16 A 9 THR N A 9 THR CA A 9 THR C A 10 ILE N 1.0 -120.0 120.0 PSI 17 17 A 9 THR C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -120.0 -30.0 PHI 18 18 A 10 ILE N A 10 ILE CA A 10 ILE C A 11 HIS N 1.0 -120.0 120.0 PSI 19 19 A 10 ILE C A 11 HIS N A 11 HIS CA A 11 HIS C 1.0 -120.0 -30.0 PHI 20 20 A 11 HIS N A 11 HIS CA A 11 HIS C A 12 ASN N 1.0 -120.0 120.0 PSI 21 21 A 11 HIS C A 12 ASN N A 12 ASN CA A 12 ASN C 1.0 -120.0 -30.0 PHI 22 22 A 12 ASN N A 12 ASN CA A 12 ASN C A 13 LEU N 1.0 -120.0 120.0 PSI 23 23 A 12 ASN C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -120.0 -30.0 PHI 24 24 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 PHE N 1.0 -120.0 120.0 PSI 25 25 A 13 LEU C A 14 PHE N A 14 PHE CA A 14 PHE C 1.0 -120.0 -30.0 PHI 26 26 A 14 PHE N A 14 PHE CA A 14 PHE C A 15 ARG N 1.0 -120.0 120.0 PSI 27 27 A 14 PHE C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -120.0 -30.0 PHI 28 28 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 LYS N 1.0 -120.0 120.0 PSI 29 29 A 15 ARG C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -120.0 -30.0 PHI 30 30 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 LEU N 1.0 -120.0 120.0 PSI 31 31 A 16 LYS C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -120.0 -30.0 PHI 32 32 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 THR N 1.0 -120.0 120.0 PSI 33 33 A 17 LEU C A 18 THR N A 18 THR CA A 18 THR C 1.0 -120.0 -30.0 PHI 34 34 A 18 THR N A 18 THR CA A 18 THR C A 19 HIS N 1.0 -120.0 120.0 PSI 35 35 A 18 THR C A 19 HIS N A 19 HIS CA A 19 HIS C 1.0 -120.0 -30.0 PHI 36 36 A 19 HIS N A 19 HIS CA A 19 HIS C A 20 ARG N 1.0 -120.0 120.0 PSI 37 37 A 19 HIS C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -120.0 -30.0 PHI 38 38 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 LEU N 1.0 -120.0 120.0 PSI 39 39 A 20 ARG C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -120.0 -30.0 PHI 40 40 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 PHE N 1.0 -120.0 120.0 PSI 41 41 A 21 LEU C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -120.0 -30.0 PHI 42 42 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 ARG N 1.0 -120.0 120.0 PSI 43 43 A 22 PHE C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -120.0 -30.0 PHI 44 44 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 ARG N 1.0 -120.0 120.0 PSI stop_ save_