data_nef_c18999_2mia 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 18998 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 1 CYS SG 1 16 CYS SG 1 8 CYS SG 1 21 CYS SG 1 15 CYS SG 1 29 CYS SG 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 CYS start -HG . 2 A 2 ILE middle . . 3 A 3 ALA middle . . 4 A 4 HIS middle . . 5 A 5 TYR middle . . 6 A 6 GLY middle . false 7 A 7 LYS middle . . 8 A 8 CYS middle -HG . 9 A 9 ASP middle . . 10 A 10 GLY middle . false 11 A 11 ILE middle . . 12 A 12 ILE middle . . 13 A 13 ASN middle . . 14 A 14 GLN middle . . 15 A 15 CYS middle -HG . 16 A 16 CYS middle -HG . 17 A 17 ASP middle . . 18 A 18 PRO middle . true 19 A 19 TRP middle . . 20 A 20 LEU middle . . 21 A 21 CYS middle -HG . 22 A 22 THR middle . . 23 A 23 PRO middle . true 24 A 24 PRO middle . false 25 A 25 ILE middle . . 26 A 26 ILE middle . . 27 A 27 GLY middle . false 28 A 28 PHE middle . . 29 A 29 CYS middle -HG . 30 A 30 LEU 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 2 ILE H H 1 9.119 0.020 A 2 ILE HA H 1 4.161 0.020 A 2 ILE HB H 1 1.876 0.020 A 2 ILE HD1% H 1 0.821 0.020 A 2 ILE HG1y H 1 1.368 0.020 A 2 ILE HG1x H 1 1.276 0.020 A 2 ILE HG2% H 1 1.074 0.020 A 3 ALA H H 1 8.456 0.020 A 3 ALA HA H 1 4.996 0.020 A 3 ALA HB% H 1 1.495 0.020 A 4 HIS H H 1 8.397 0.020 A 4 HIS HA H 1 3.941 0.020 A 4 HIS HBx H 1 2.797 0.020 A 4 HIS HBy H 1 2.797 0.020 A 5 TYR H H 1 7.986 0.020 A 5 TYR HA H 1 4.819 0.020 A 5 TYR HBy H 1 3.496 0.020 A 5 TYR HBx H 1 2.345 0.020 A 5 TYR HEx H 1 6.982 0.020 A 5 TYR HEy H 1 7.801 0.020 A 6 GLY H H 1 8.644 0.020 A 6 GLY HAy H 1 4.207 0.020 A 6 GLY HAx H 1 3.571 0.020 A 7 LYS H H 1 8.343 0.020 A 7 LYS HA H 1 4.259 0.020 A 7 LYS HBx H 1 1.725 0.020 A 7 LYS HDx H 1 1.572 0.020 A 7 LYS HDy H 1 1.572 0.020 A 7 LYS HEy H 1 2.948 0.020 A 7 LYS HEx H 1 2.736 0.020 A 7 LYS HGy H 1 1.416 0.020 A 7 LYS HGx H 1 1.250 0.020 A 7 LYS HZ1 H 1 7.477 0.020 A 7 LYS HZ2 H 1 7.477 0.020 A 7 LYS HZ3 H 1 7.477 0.020 A 8 CYS H H 1 8.496 0.020 A 8 CYS HA H 1 4.849 0.020 A 8 CYS HBy H 1 3.241 0.020 A 8 CYS HBx H 1 2.845 0.020 A 9 ASP H H 1 8.434 0.020 A 9 ASP HA H 1 5.022 0.020 A 9 ASP HBx H 1 2.811 0.020 A 9 ASP HBy H 1 2.811 0.020 A 10 GLY H H 1 8.437 0.020 A 10 GLY HAy H 1 4.288 0.020 A 10 GLY HAx H 1 3.933 0.020 A 11 ILE H H 1 8.348 0.020 A 11 ILE HA H 1 4.132 0.020 A 11 ILE HB H 1 1.865 0.020 A 11 ILE HD1% H 1 0.911 0.020 A 11 ILE HG1x H 1 1.637 0.020 A 11 ILE HG1y H 1 1.637 0.020 A 11 ILE HG2% H 1 1.148 0.020 A 12 ILE H H 1 8.123 0.020 A 12 ILE HA H 1 4.655 0.020 A 12 ILE HB H 1 1.872 0.020 A 12 ILE HD1% H 1 0.872 0.020 A 12 ILE HG1x H 1 1.731 0.020 A 12 ILE HG1y H 1 1.731 0.020 A 13 ASN H H 1 9.607 0.020 A 13 ASN HA H 1 3.714 0.020 A 13 ASN HBy H 1 3.293 0.020 A 13 ASN HBx H 1 3.048 0.020 A 13 ASN HD2x H 1 6.262 0.020 A 13 ASN HD2y H 1 6.619 0.020 A 14 GLN H H 1 8.644 0.020 A 14 GLN HA H 1 4.534 0.020 A 14 GLN HBy H 1 2.146 0.020 A 14 GLN HBx H 1 1.907 0.020 A 14 GLN HE2x H 1 6.947 0.020 A 14 GLN HE2y H 1 8.081 0.020 A 14 GLN HGy H 1 2.862 0.020 A 14 GLN HGx H 1 2.314 0.020 A 15 CYS H H 1 8.744 0.020 A 15 CYS HA H 1 4.877 0.020 A 15 CYS HBy H 1 2.768 0.020 A 15 CYS HBx H 1 2.667 0.020 A 16 CYS H H 1 10.077 0.020 A 16 CYS HA H 1 4.621 0.020 A 16 CYS HBy H 1 3.424 0.020 A 16 CYS HBx H 1 2.616 0.020 A 17 ASP H H 1 8.683 0.020 A 17 ASP HA H 1 5.534 0.020 A 17 ASP HBy H 1 2.746 0.020 A 17 ASP HBx H 1 2.563 0.020 A 19 TRP H H 1 8.781 0.020 A 19 TRP HA H 1 4.740 0.020 A 19 TRP HBy H 1 2.325 0.020 A 19 TRP HBx H 1 1.875 0.020 A 19 TRP HD1 H 1 6.929 0.020 A 19 TRP HE1 H 1 9.721 0.020 A 20 LEU H H 1 8.713 0.020 A 20 LEU HA H 1 4.557 0.020 A 20 LEU HBx H 1 1.824 0.020 A 20 LEU HBy H 1 1.824 0.020 A 20 LEU HDx% H 1 1.034 0.020 A 20 LEU HDy% H 1 1.034 0.020 A 20 LEU HG H 1 1.626 0.020 A 21 CYS H H 1 8.047 0.020 A 21 CYS HA H 1 4.097 0.020 A 21 CYS HBy H 1 3.203 0.020 A 21 CYS HBx H 1 2.989 0.020 A 22 THR H H 1 9.382 0.020 A 22 THR HA H 1 4.434 0.020 A 22 THR HB H 1 4.308 0.020 A 22 THR HG2% H 1 1.264 0.020 A 23 PRO HA H 1 5.142 0.020 A 23 PRO HBx H 1 2.243 0.020 A 23 PRO HBy H 1 2.587 0.020 A 23 PRO HDy H 1 3.970 0.020 A 23 PRO HDx H 1 3.662 0.020 A 23 PRO HGx H 1 2.021 0.020 A 23 PRO HGy H 1 2.021 0.020 A 24 PRO HA H 1 3.976 0.020 A 24 PRO HBx H 1 2.035 0.020 A 24 PRO HBy H 1 2.331 0.020 A 24 PRO HDy H 1 3.849 0.020 A 24 PRO HDx H 1 3.585 0.020 A 24 PRO HGx H 1 1.817 0.020 A 24 PRO HGy H 1 1.817 0.020 A 25 ILE H H 1 7.997 0.020 A 25 ILE HA H 1 5.364 0.020 A 25 ILE HB H 1 1.814 0.020 A 25 ILE HD1% H 1 0.894 0.020 A 25 ILE HG1x H 1 1.436 0.020 A 25 ILE HG1y H 1 1.436 0.020 A 25 ILE HG2% H 1 1.065 0.020 A 26 ILE H H 1 7.824 0.020 A 26 ILE HA H 1 4.389 0.020 A 26 ILE HB H 1 1.908 0.020 A 26 ILE HD1% H 1 0.862 0.020 A 26 ILE HG1x H 1 1.397 0.020 A 26 ILE HG1y H 1 1.397 0.020 A 26 ILE HG2% H 1 1.046 0.020 A 27 GLY H H 1 7.701 0.020 A 27 GLY HAx H 1 4.100 0.020 A 27 GLY HAy H 1 4.100 0.020 A 28 PHE H H 1 8.221 0.020 A 28 PHE HA H 1 5.485 0.020 A 28 PHE HBy H 1 2.746 0.020 A 28 PHE HBx H 1 2.610 0.020 A 28 PHE HDx H 1 7.304 0.020 A 28 PHE HDy H 1 7.304 0.020 A 28 PHE HZ H 1 7.373 0.020 A 29 CYS H H 1 8.885 0.020 A 29 CYS HA H 1 4.845 0.020 A 29 CYS HBy H 1 2.974 0.020 A 29 CYS HBx H 1 2.763 0.020 A 30 LEU H H 1 9.421 0.020 A 30 LEU HA H 1 4.683 0.020 A 30 LEU HBx H 1 1.583 0.020 A 30 LEU HBy H 1 1.583 0.020 A 30 LEU HDx% H 1 0.887 0.020 A 30 LEU HG H 1 1.458 0.020 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 25 ILE H A 26 ILE H 1.0 . 4.48 2 2 A 26 ILE H A 27 GLY HAx 1.0 . 5.42 3 2 A 26 ILE H A 27 GLY HAy 1.0 . 5.42 4 3 A 14 GLN HGx A 15 CYS H 1.0 . 4.93 5 4 A 29 CYS HBy A 30 LEU H 1.0 . 4.68 6 5 A 30 LEU H A 29 CYS HBx 1.0 . 4.21 7 6 A 25 ILE H A 24 PRO HBy 1.0 . 4.21 8 7 A 5 TYR H A 6 GLY HAy 1.0 . 5.35 9 8 A 15 CYS H A 16 CYS H 1.0 . 5.50 10 9 A 16 CYS H A 17 ASP H 1.0 . 3.81 11 10 A 9 ASP H A 10 GLY H 1.0 . 3.10 12 11 A 8 CYS H A 28 PHE HD% 1.0 . 5.04 13 12 A 26 ILE H A 27 GLY H 1.0 . 3.19 14 13 A 19 TRP HE3 A 20 LEU H 1.0 . 4.89 15 14 A 30 LEU H A 20 LEU HBx 1.0 . 5.50 16 14 A 30 LEU H A 20 LEU HBy 1.0 . 5.50 17 15 A 28 PHE HD% A 29 CYS H 1.0 . 4.55 18 16 A 30 LEU H A 20 LEU H 1.0 . 4.26 19 17 A 2 ILE HB A 15 CYS HA 1.0 . 3.59 20 18 A 20 LEU H A 22 THR HB 1.0 . 5.50 21 19 A 30 LEU H A 22 THR HB 1.0 . 4.56 22 20 A 25 ILE H A 24 PRO HA 1.0 . 3.50 23 21 A 29 CYS HBy A 21 CYS H 1.0 . 4.87 24 22 A 21 CYS H A 20 LEU HBx 1.0 . 5.45 25 22 A 20 LEU HBy A 21 CYS H 1.0 . 5.45 26 23 A 4 HIS HA A 5 TYR HEx 1.0 . 5.50 27 24 A 2 ILE HG2% A 6 GLY HAx 1.0 . 3.65 28 25 A 28 PHE HD% A 27 GLY HAx 1.0 . 3.51 29 25 A 27 GLY HAy A 28 PHE HD% 1.0 . 3.51 30 26 A 28 PHE HZ A 27 GLY HAx 1.0 . 5.50 31 26 A 27 GLY HAy A 28 PHE HZ 1.0 . 5.50 32 27 A 16 CYS H A 2 ILE H 1.0 . 5.50 33 28 A 30 LEU HBx A 30 LEU HDx% 1.0 . 2.72 34 28 A 30 LEU HBy A 30 LEU HDx% 1.0 . 2.72 35 28 A 30 LEU HD21 A 30 LEU HBx 1.0 . 2.72 36 28 A 30 LEU HBy A 30 LEU HD21 1.0 . 2.72 37 29 A 26 ILE H A 25 ILE HG1x 1.0 . 5.44 38 29 A 26 ILE H A 25 ILE HG1y 1.0 . 5.44 39 30 A 27 GLY H A 26 ILE HB 1.0 . 4.66 40 31 A 27 GLY H A 26 ILE HG2% 1.0 . 4.51 41 32 A 27 GLY H A 26 ILE HD1% 1.0 . 4.30 42 33 A 27 GLY H A 7 LYS HGy 1.0 . 4.48 43 34 A 27 GLY H A 26 ILE HG1x 1.0 . 5.50 44 34 A 27 GLY H A 26 ILE HG1y 1.0 . 5.50 45 35 A 26 ILE HG2% A 7 LYS HDx 1.0 . 3.21 46 35 A 26 ILE HG2% A 7 LYS HDy 1.0 . 3.21 47 36 A 8 CYS H A 7 LYS HDx 1.0 . 4.74 48 36 A 8 CYS H A 7 LYS HDy 1.0 . 4.74 49 37 A 8 CYS H A 7 LYS HGy 1.0 . 3.96 50 38 A 8 CYS H A 7 LYS HGx 1.0 . 4.67 51 39 A 2 ILE HD1% A 7 LYS H 1.0 . 5.32 52 40 A 29 CYS H A 2 ILE HG2% 1.0 . 4.57 53 41 A 2 ILE HG2% A 6 GLY H 1.0 . 4.70 54 42 A 12 ILE HB A 14 GLN H 1.0 . 4.08 55 43 A 11 ILE H A 25 ILE HG2% 1.0 . 3.70 56 44 A 11 ILE H A 25 ILE HG1x 1.0 . 3.68 57 44 A 25 ILE HG1y A 11 ILE H 1.0 . 3.68 58 45 A 4 HIS HD2 A 5 TYR HEy 1.0 . 4.03 59 46 A 4 HIS HA A 4 HIS HE1 1.0 . 4.79 60 47 A 4 HIS HE1 A 4 HIS H 1.0 . 5.50 61 48 A 4 HIS HA A 4 HIS HD2 1.0 . 4.44 62 49 A 4 HIS HD2 A 4 HIS H 1.0 . 5.50 63 50 A 11 ILE HG2% A 12 ILE H 1.0 . 4.30 64 51 A 16 CYS H A 2 ILE HB 1.0 . 4.07 65 52 A 10 GLY H A 12 ILE HB 1.0 . 4.82 66 53 A 10 GLY H A 9 ASP HBx 1.0 . 4.44 67 53 A 10 GLY H A 9 ASP HBy 1.0 . 4.44 68 54 A 9 ASP H A 8 CYS HBy 1.0 . 4.04 69 55 A 9 ASP H A 8 CYS HBx 1.0 . 4.04 70 56 A 20 LEU HG A 22 THR H 1.0 . 4.54 71 57 A 29 CYS H A 7 LYS HA 1.0 . 4.65 72 58 A 28 PHE HD% A 7 LYS HGx 1.0 . 3.71 73 59 A 28 PHE HZ A 7 LYS HGx 1.0 . 3.70 74 60 A 28 PHE HD% A 7 LYS HGy 1.0 . 4.26 75 61 A 28 PHE HZ A 7 LYS HGy 1.0 . 4.22 76 62 A 28 PHE HD% A 7 LYS HDx 1.0 . 4.83 77 62 A 28 PHE HD% A 7 LYS HDy 1.0 . 4.83 78 63 A 28 PHE HZ A 7 LYS HDx 1.0 . 4.73 79 63 A 28 PHE HZ A 7 LYS HDy 1.0 . 4.73 80 64 A 28 PHE HD% A 7 LYS HA 1.0 . 2.95 81 65 A 28 PHE HZ A 7 LYS HA 1.0 . 5.50 82 66 A 22 THR H A 27 GLY HAx 1.0 . 5.50 83 66 A 27 GLY HAy A 22 THR H 1.0 . 5.50 84 67 A 22 THR H A 28 PHE HA 1.0 . 5.42 85 68 A 14 GLN H A 13 ASN HBy 1.0 . 5.03 86 69 A 14 GLN H A 13 ASN HBx 1.0 . 4.59 87 70 A 19 TRP HA A 19 TRP HZ3 1.0 . 5.50 88 71 A 19 TRP HZ3 A 19 TRP HBx 1.0 . 5.50 89 72 A 19 TRP HE3 A 19 TRP H 1.0 . 5.50 90 73 A 19 TRP HE3 A 19 TRP HA 1.0 . 3.59 91 74 A 19 TRP H A 19 TRP HD1 1.0 . 5.28 92 75 A 19 TRP HA A 19 TRP HD1 1.0 . 5.18 93 76 A 2 ILE HA A 3 ALA H 1.0 . 2.89 94 77 A 3 ALA H A 3 ALA HB% 1.0 . 3.37 95 78 A 17 ASP H A 18 PRO HA 1.0 . 4.83 96 79 A 26 ILE HA A 26 ILE HG1x 1.0 . 4.22 97 79 A 26 ILE HG1y A 26 ILE HA 1.0 . 4.22 98 80 A 14 GLN HA A 14 GLN HE2y 1.0 . 4.24 99 81 A 14 GLN HA A 14 GLN HE2x 1.0 . 3.76 100 82 A 14 GLN HA A 14 GLN HGy 1.0 . 4.11 101 83 A 23 PRO HA A 24 PRO HDx 1.0 . 3.07 102 84 A 11 ILE HD1% A 12 ILE HA 1.0 . 4.21 103 85 A 12 ILE HA A 12 ILE HD1% 1.0 . 4.45 104 86 A 11 ILE H A 11 ILE HG2% 1.0 . 3.30 105 87 A 11 ILE H A 11 ILE HG1x 1.0 . 2.64 106 87 A 11 ILE H A 11 ILE HG1y 1.0 . 2.64 107 88 A 11 ILE H A 11 ILE HD1% 1.0 . 4.06 108 89 A 11 ILE H A 11 ILE HB 1.0 . 3.76 109 90 A 9 ASP H A 9 ASP HBx 1.0 . 3.74 110 90 A 9 ASP H A 9 ASP HBy 1.0 . 3.74 111 91 A 19 TRP HBx A 19 TRP H 1.0 . 3.78 112 92 A 19 TRP H A 18 PRO HDx 1.0 . 4.73 113 92 A 19 TRP H A 18 PRO HDy 1.0 . 4.73 114 93 A 14 GLN H A 14 GLN HE2y 1.0 . 5.50 115 94 A 14 GLN H A 14 GLN HBy 1.0 . 4.10 116 95 A 14 GLN HGx A 14 GLN H 1.0 . 4.58 117 96 A 14 GLN H A 14 GLN HGy 1.0 . 4.80 118 97 A 12 ILE H A 12 ILE HG1x 1.0 . 5.15 119 97 A 12 ILE H A 12 ILE HG1y 1.0 . 5.15 120 98 A 12 ILE H A 11 ILE HD1% 1.0 . 4.63 121 99 A 12 ILE H A 12 ILE HD1% 1.0 . 4.96 122 100 A 17 ASP H A 17 ASP HBy 1.0 . 3.20 123 100 A 17 ASP H A 17 ASP HBx 1.0 . 3.20 124 101 A 8 CYS H A 28 PHE HA 1.0 . 4.06 125 102 A 8 CYS H A 7 LYS HA 1.0 . 2.57 126 103 A 30 LEU HA A 30 LEU HDx% 1.0 . 3.85 127 103 A 30 LEU HD21 A 30 LEU HA 1.0 . 3.85 128 104 A 19 TRP HBy A 19 TRP HE1 1.0 . 5.03 129 105 A 19 TRP HA A 19 TRP HE1 1.0 . 5.50 130 106 A 26 ILE H A 26 ILE HG1x 1.0 . 4.34 131 106 A 26 ILE H A 26 ILE HG1y 1.0 . 4.34 132 107 A 26 ILE H A 26 ILE HB 1.0 . 4.10 133 108 A 26 ILE H A 26 ILE HD1% 1.0 . 3.38 134 109 A 26 ILE H A 26 ILE HG2% 1.0 . 4.07 135 110 A 2 ILE HD1% A 2 ILE HA 1.0 . 3.23 136 111 A 2 ILE HG2% A 2 ILE HD1% 1.0 . 2.70 137 112 A 7 LYS HA A 7 LYS HDx 1.0 . 3.96 138 112 A 7 LYS HDy A 7 LYS HA 1.0 . 3.96 139 113 A 7 LYS HGy A 7 LYS HDx 1.0 . 2.48 140 113 A 7 LYS HGy A 7 LYS HDy 1.0 . 2.48 141 114 A 5 TYR H A 5 TYR HA 1.0 . 2.88 142 115 A 5 TYR HA A 5 TYR HBx 1.0 . 2.40 143 116 A 6 GLY H A 5 TYR HA 1.0 . 3.00 144 117 A 26 ILE HB A 26 ILE HG1x 1.0 . 2.99 145 117 A 26 ILE HB A 26 ILE HG1y 1.0 . 2.99 146 118 A 23 PRO HA A 24 PRO HDy 1.0 . 3.07 147 119 A 30 LEU H A 30 LEU HDx% 1.0 . 4.42 148 119 A 30 LEU H A 30 LEU HD21 1.0 . 4.42 149 120 A 30 LEU H A 30 LEU HG 1.0 . 3.97 150 121 A 30 LEU H A 30 LEU HBx 1.0 . 3.70 151 121 A 30 LEU H A 30 LEU HBy 1.0 . 3.70 152 122 A 13 ASN HBx A 13 ASN HA 1.0 . 2.94 153 123 A 13 ASN HBx A 13 ASN H 1.0 . 3.69 154 124 A 28 PHE H A 28 PHE HBx 1.0 . 4.07 155 125 A 28 PHE HD% A 28 PHE HA 1.0 . 3.30 156 126 A 28 PHE HD% A 7 LYS H 1.0 . 3.56 157 127 A 11 ILE HD1% A 11 ILE HA 1.0 . 4.11 158 128 A 22 THR HB A 22 THR H 1.0 . 2.83 159 129 A 30 LEU H A 22 THR H 1.0 . 3.79 160 130 A 22 THR H A 30 LEU HDx% 1.0 . 4.31 161 130 A 30 LEU HD21 A 22 THR H 1.0 . 4.31 162 131 A 22 THR H A 22 THR HG1 1.0 . 3.86 163 132 A 14 GLN H A 14 GLN HE2x 1.0 . 5.50 164 133 A 14 GLN HE2x A 14 GLN HBy 1.0 . 4.72 165 134 A 14 GLN HGx A 14 GLN HE2x 1.0 . 3.33 166 135 A 14 GLN HE2x A 14 GLN HBx 1.0 . 4.72 167 136 A 5 TYR H A 5 TYR HEy 1.0 . 5.50 168 137 A 23 PRO HBy A 24 PRO HDx 1.0 . 3.77 169 138 A 24 PRO HDy A 23 PRO HBy 1.0 . 3.77 170 139 A 7 LYS HA A 28 PHE HA 1.0 . 3.46 171 140 A 18 PRO HA A 17 ASP HBy 1.0 . 4.25 172 140 A 18 PRO HA A 17 ASP HBx 1.0 . 4.25 173 141 A 9 ASP H A 8 CYS HA 1.0 . 3.17 174 142 A 9 ASP H A 9 ASP HA 1.0 . 2.91 175 143 A 11 ILE HD1% A 11 ILE HB 1.0 . 2.49 176 144 A 12 ILE HB A 12 ILE HD1% 1.0 . 2.82 177 145 A 14 GLN HGx A 14 GLN HA 1.0 . 3.33 178 146 A 29 CYS HBx A 21 CYS HA 1.0 . 4.52 179 147 A 29 CYS HBx A 29 CYS H 1.0 . 3.29 180 148 A 2 ILE HB A 2 ILE HD1% 1.0 . 3.24 181 149 A 16 CYS H A 16 CYS HBx 1.0 . 3.79 182 150 A 16 CYS H A 16 CYS HBy 1.0 . 3.79 183 151 A 3 ALA H A 2 ILE HG1y 1.0 . 4.85 184 152 A 21 CYS H A 20 LEU HA 1.0 . 3.42 185 153 A 7 LYS H A 7 LYS HEx 1.0 . 5.50 186 154 A 7 LYS H A 7 LYS HDx 1.0 . 4.86 187 154 A 7 LYS HDy A 7 LYS H 1.0 . 4.86 188 155 A 7 LYS H A 7 LYS HEy 1.0 . 5.50 189 156 A 6 GLY HAy A 7 LYS H 1.0 . 2.56 190 157 A 6 GLY HAx A 7 LYS H 1.0 . 2.92 191 158 A 7 LYS HGy A 7 LYS H 1.0 . 3.92 192 159 A 13 ASN HBy A 13 ASN H 1.0 . 3.50 193 160 A 13 ASN HBy A 13 ASN HD2y 1.0 . 4.00 194 161 A 13 ASN HA A 13 ASN HD2y 1.0 . 4.28 195 162 A 13 ASN H A 13 ASN HD2y 1.0 . 3.87 196 163 A 11 ILE H A 7 LYS HZ% 1.0 . 5.50 197 164 A 7 LYS HGx A 7 LYS HZ% 1.0 . 5.32 198 165 A 11 ILE HG2% A 11 ILE HA 1.0 . 4.09 199 166 A 11 ILE HG2% A 11 ILE HD1% 1.0 . 2.95 200 167 A 5 TYR HEx A 18 PRO HA 1.0 . 4.98 201 168 A 5 TYR HEx A 5 TYR HA 1.0 . 5.50 202 169 A 5 TYR H A 5 TYR HEx 1.0 . 4.58 203 170 A 26 ILE HD1% A 26 ILE HA 1.0 . 2.70 204 171 A 26 ILE HB A 26 ILE HD1% 1.0 . 3.30 205 172 A 23 PRO HBx A 24 PRO HDx 1.0 . 3.77 206 173 A 24 PRO HDy A 23 PRO HBx 1.0 . 3.77 207 174 A 12 ILE HB A 12 ILE H 1.0 . 3.45 208 175 A 12 ILE HB A 12 ILE HG1x 1.0 . 2.59 209 175 A 12 ILE HB A 12 ILE HG1y 1.0 . 2.59 210 176 A 29 CYS HBy A 29 CYS H 1.0 . 3.72 211 177 A 25 ILE H A 25 ILE HG1x 1.0 . 3.62 212 177 A 25 ILE H A 25 ILE HG1y 1.0 . 3.62 213 178 A 25 ILE H A 24 PRO HGx 1.0 . 3.96 214 178 A 25 ILE H A 24 PRO HGy 1.0 . 3.96 215 179 A 25 ILE H A 25 ILE HG2% 1.0 . 3.94 216 180 A 8 CYS H A 8 CYS HBx 1.0 . 3.92 217 181 A 7 LYS HGx A 7 LYS HDx 1.0 . 2.68 218 181 A 7 LYS HDy A 7 LYS HGx 1.0 . 2.68 219 182 A 7 LYS HGx A 7 LYS H 1.0 . 4.34 220 183 A 2 ILE H A 2 ILE HG1x 1.0 . 4.56 221 184 A 2 ILE HG2% A 2 ILE HG1x 1.0 . 2.51 222 185 A 7 LYS HA A 7 LYS HZ% 1.0 . 5.50 223 186 A 28 PHE HD% A 28 PHE H 1.0 . 3.68 224 187 A 28 PHE H A 27 GLY HAx 1.0 . 2.71 225 187 A 27 GLY HAy A 28 PHE H 1.0 . 2.71 226 188 A 7 LYS HA A 28 PHE H 1.0 . 5.37 227 189 A 28 PHE H A 28 PHE HBy 1.0 . 4.07 228 190 A 25 ILE HG2% A 25 ILE HG1x 1.0 . 2.77 229 190 A 25 ILE HG1y A 25 ILE HG2% 1.0 . 2.77 230 191 A 25 ILE HB A 25 ILE HD1% 1.0 . 3.02 231 192 A 25 ILE HD1% A 25 ILE HA 1.0 . 4.19 232 193 A 25 ILE H A 25 ILE HD1% 1.0 . 3.94 233 194 A 25 ILE HG2% A 25 ILE HD1% 1.0 . 2.85 234 195 A 2 ILE H A 2 ILE HD1% 1.0 . 3.86 235 196 A 2 ILE HB A 2 ILE H 1.0 . 3.41 236 197 A 2 ILE H A 2 ILE HG1y 1.0 . 3.37 237 198 A 2 ILE HG2% A 2 ILE H 1.0 . 4.30 238 199 A 13 ASN HA A 13 ASN H 1.0 . 2.92 239 200 A 30 LEU HA A 30 LEU HG 1.0 . 3.94 240 201 A 27 GLY H A 26 ILE HA 1.0 . 2.65 241 202 A 8 CYS H A 27 GLY H 1.0 . 3.83 242 203 A 27 GLY H A 27 GLY HAx 1.0 . 2.89 243 203 A 27 GLY HAy A 27 GLY H 1.0 . 2.89 244 204 A 11 ILE HB A 11 ILE HG1x 1.0 . 2.92 245 204 A 11 ILE HG1y A 11 ILE HB 1.0 . 2.92 246 205 A 29 CYS HBy A 20 LEU H 1.0 . 4.42 247 206 A 20 LEU H A 20 LEU HBx 1.0 . 3.22 248 206 A 20 LEU H A 20 LEU HBy 1.0 . 3.22 249 207 A 20 LEU H A 20 LEU HG 1.0 . 3.90 250 208 A 25 ILE H A 24 PRO HBx 1.0 . 3.38 251 209 A 5 TYR HEx A 18 PRO HDx 1.0 . 3.29 252 209 A 5 TYR HEx A 18 PRO HDy 1.0 . 3.29 253 210 A 26 ILE HG2% A 26 ILE HG1x 1.0 . 2.40 254 210 A 26 ILE HG2% A 26 ILE HG1y 1.0 . 2.40 255 211 A 26 ILE HG2% A 26 ILE HA 1.0 . 3.51 256 212 A 26 ILE HG2% A 26 ILE HD1% 1.0 . 2.50 257 213 A 14 GLN HA A 13 ASN H 1.0 . 4.99 258 214 A 14 GLN H A 13 ASN H 1.0 . 3.45 259 215 A 4 HIS H A 4 HIS HBy 1.0 . 3.92 260 216 A 4 HIS H A 4 HIS HBx 1.0 . 3.92 261 217 A 4 HIS H A 3 ALA HA 1.0 . 2.72 262 218 A 14 GLN H A 14 GLN HBx 1.0 . 4.10 263 219 A 30 LEU H A 29 CYS HA 1.0 . 2.74 264 220 A 29 CYS HBx A 29 CYS HA 1.0 . 3.01 265 221 A 29 CYS HBy A 29 CYS HA 1.0 . 2.55 266 222 A 8 CYS H A 8 CYS HBy 1.0 . 3.92 267 223 A 7 LYS HGy A 7 LYS HZ% 1.0 . 5.50 268 224 A 7 LYS HZ% A 26 ILE HG1x 1.0 . 5.50 269 224 A 26 ILE HG1y A 7 LYS HZ% 1.0 . 5.50 270 225 A 2 ILE HA A 2 ILE HG1y 1.0 . 4.15 271 226 A 24 PRO HBx A 25 ILE HG1x 1.0 . 3.41 272 226 A 25 ILE HG1y A 24 PRO HBx 1.0 . 3.41 273 227 A 20 LEU HG A 20 LEU HA 1.0 . 3.83 274 228 A 20 LEU HG A 20 LEU HBx 1.0 . 2.55 275 228 A 20 LEU HBy A 20 LEU HG 1.0 . 2.55 276 229 A 29 CYS H A 28 PHE HA 1.0 . 2.91 277 230 A 13 ASN HBy A 13 ASN HD2x 1.0 . 2.88 278 231 A 13 ASN HA A 13 ASN HD2x 1.0 . 3.30 279 232 A 13 ASN H A 13 ASN HD2x 1.0 . 3.74 280 233 A 2 ILE HG2% A 2 ILE HA 1.0 . 3.48 281 234 A 2 ILE HG2% A 2 ILE HG1y 1.0 . 3.25 282 235 A 4 HIS H A 4 HIS HBy 1.0 . 3.36 283 235 A 4 HIS H A 4 HIS HBx 1.0 . 3.36 284 236 A 4 HIS HE1 A 4 HIS HBy 1.0 . 4.68 285 236 A 4 HIS HE1 A 4 HIS HBx 1.0 . 4.68 286 237 A 7 LYS H A 7 LYS HBx 1.0 . 2.96 287 237 A 7 LYS H A 7 LYS HBy 1.0 . 2.96 288 238 A 7 LYS HA A 7 LYS HEx 1.0 . 4.52 289 238 A 7 LYS HA A 7 LYS HEy 1.0 . 4.52 290 239 A 7 LYS HBx A 7 LYS HDx 1.0 . 3.45 291 239 A 7 LYS HBy A 7 LYS HDx 1.0 . 3.45 292 239 A 7 LYS HDy A 7 LYS HBx 1.0 . 3.45 293 239 A 7 LYS HDy A 7 LYS HBy 1.0 . 3.45 294 240 A 7 LYS HBx A 7 LYS HEx 1.0 . 4.76 295 240 A 7 LYS HBy A 7 LYS HEx 1.0 . 4.76 296 240 A 7 LYS HEy A 7 LYS HBx 1.0 . 4.76 297 240 A 7 LYS HBy A 7 LYS HEy 1.0 . 4.76 298 241 A 7 LYS HZ% A 7 LYS HBx 1.0 . 5.34 299 241 A 7 LYS HZ% A 7 LYS HBy 1.0 . 5.34 300 242 A 8 CYS H A 7 LYS HBx 1.0 . 4.18 301 242 A 8 CYS H A 7 LYS HBy 1.0 . 4.18 302 243 A 28 PHE HD% A 7 LYS HBx 1.0 . 4.25 303 243 A 28 PHE HD% A 7 LYS HBy 1.0 . 4.25 304 244 A 28 PHE HZ A 7 LYS HBx 1.0 . 5.18 305 244 A 28 PHE HZ A 7 LYS HBy 1.0 . 5.18 306 245 A 7 LYS HGx A 7 LYS HEx 1.0 . 3.62 307 245 A 7 LYS HGx A 7 LYS HEy 1.0 . 3.62 308 246 A 8 CYS H A 7 LYS HEx 1.0 . 3.66 309 246 A 8 CYS H A 7 LYS HEy 1.0 . 3.66 310 247 A 8 CYS H A 8 CYS HBy 1.0 . 3.15 311 247 A 8 CYS H A 8 CYS HBx 1.0 . 3.15 312 248 A 9 ASP H A 8 CYS HBy 1.0 . 3.44 313 248 A 9 ASP H A 8 CYS HBx 1.0 . 3.44 314 249 A 13 ASN HA A 21 CYS HBy 1.0 . 3.68 315 249 A 13 ASN HA A 21 CYS HBx 1.0 . 3.68 316 250 A 14 GLN H A 14 GLN HBy 1.0 . 3.34 317 250 A 14 GLN H A 14 GLN HBx 1.0 . 3.34 318 251 A 14 GLN H A 21 CYS HBy 1.0 . 5.24 319 251 A 14 GLN H A 21 CYS HBx 1.0 . 5.24 320 252 A 14 GLN HGx A 14 GLN HBy 1.0 . 2.60 321 252 A 14 GLN HGx A 14 GLN HBx 1.0 . 2.60 322 253 A 14 GLN HE2x A 14 GLN HBy 1.0 . 4.11 323 253 A 14 GLN HE2x A 14 GLN HBx 1.0 . 4.11 324 254 A 15 CYS H A 21 CYS HBy 1.0 . 5.34 325 254 A 15 CYS H A 21 CYS HBx 1.0 . 5.34 326 255 A 16 CYS H A 16 CYS HBy 1.0 . 3.16 327 255 A 16 CYS H A 16 CYS HBx 1.0 . 3.16 328 256 A 17 ASP H A 16 CYS HBy 1.0 . 4.09 329 256 A 17 ASP H A 16 CYS HBx 1.0 . 4.09 330 257 A 20 LEU H A 20 LEU HDx% 1.0 . 4.64 331 257 A 20 LEU H A 20 LEU HDy% 1.0 . 4.64 332 258 A 20 LEU HA A 20 LEU HDx% 1.0 . 4.05 333 258 A 20 LEU HA A 20 LEU HDy% 1.0 . 4.05 334 259 A 30 LEU H A 20 LEU HDx% 1.0 . 4.92 335 259 A 30 LEU H A 20 LEU HDy% 1.0 . 4.92 336 260 A 21 CYS H A 21 CYS HBy 1.0 . 2.89 337 260 A 21 CYS H A 21 CYS HBx 1.0 . 2.89 338 261 A 23 PRO HA A 24 PRO HDx 1.0 . 2.58 339 261 A 23 PRO HA A 24 PRO HDy 1.0 . 2.58 340 262 A 24 PRO HA A 23 PRO HBy 1.0 . 5.13 341 262 A 24 PRO HA A 23 PRO HBx 1.0 . 5.13 342 263 A 23 PRO HBx A 24 PRO HDx 1.0 . 2.88 343 263 A 23 PRO HBy A 24 PRO HDx 1.0 . 2.88 344 263 A 24 PRO HDy A 23 PRO HBy 1.0 . 2.88 345 263 A 24 PRO HDy A 23 PRO HBx 1.0 . 2.88 346 264 A 25 ILE H A 24 PRO HDx 1.0 . 3.56 347 264 A 25 ILE H A 24 PRO HDy 1.0 . 3.56 348 265 A 28 PHE H A 28 PHE HBy 1.0 . 3.52 349 265 A 28 PHE H A 28 PHE HBx 1.0 . 3.52 350 266 A 29 CYS H A 28 PHE HBy 1.0 . 4.00 351 266 A 29 CYS H A 28 PHE HBx 1.0 . 4.00 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 CYS N A 1 CYS CA A 1 CYS C A 2 ILE N 1.0 50.0 70.0 PSI 2 2 A 1 CYS C A 2 ILE N A 2 ILE CA A 2 ILE C 1.0 45.0 75.0 PHI 3 3 A 2 ILE N A 2 ILE CA A 2 ILE C A 3 ALA N 1.0 110.0 130.0 PSI 4 4 A 2 ILE C A 3 ALA N A 3 ALA CA A 3 ALA C 1.0 -80.0 -60.0 PHI 5 5 A 3 ALA N A 3 ALA CA A 3 ALA C A 4 HIS N 1.0 140.0 160.0 PSI 6 6 A 3 ALA C A 4 HIS N A 4 HIS CA A 4 HIS C 1.0 -60.0 -40.0 PHI 7 7 A 4 HIS N A 4 HIS CA A 4 HIS C A 5 TYR N 1.0 100.0 120.0 PSI 8 8 A 4 HIS C A 5 TYR N A 5 TYR CA A 5 TYR C 1.0 40.0 60.0 PHI 9 9 A 5 TYR N A 5 TYR CA A 5 TYR C A 6 GLY N 1.0 15.0 35.0 PSI 10 10 A 5 TYR C A 6 GLY N A 6 GLY CA A 6 GLY C 1.0 -100.0 -80.0 PHI 11 11 A 6 GLY N A 6 GLY CA A 6 GLY C A 7 LYS N 1.0 150.0 170.0 PSI 12 12 A 6 GLY C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -70.0 -50.0 PHI 13 13 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 CYS N 1.0 130.0 150.0 PSI 14 14 A 7 LYS C A 8 CYS N A 8 CYS CA A 8 CYS C 1.0 -140.0 -120.0 PHI 15 15 A 8 CYS N A 8 CYS CA A 8 CYS C A 9 ASP N 1.0 150.0 170.0 PSI 16 16 A 8 CYS C A 9 ASP N A 9 ASP CA A 9 ASP C 1.0 -80.0 -60.0 PHI 17 17 A 9 ASP N A 9 ASP CA A 9 ASP C A 10 GLY N 1.0 -35.0 -15.0 PSI 18 18 A 9 ASP C A 10 GLY N A 10 GLY CA A 10 GLY C 1.0 100.0 120.0 PHI 19 19 A 10 GLY N A 10 GLY CA A 10 GLY C A 11 ILE N 1.0 -90.0 -70.0 PSI 20 20 A 10 GLY C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -80.0 -60.0 PHI 21 21 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 ILE N 1.0 -35.0 -15.0 PSI 22 22 A 11 ILE C A 12 ILE N A 12 ILE CA A 12 ILE C 1.0 -110.0 -90.0 PHI 23 23 A 12 ILE N A 12 ILE CA A 12 ILE C A 13 ASN N 1.0 80.0 100.0 PSI 24 24 A 12 ILE C A 13 ASN N A 13 ASN CA A 13 ASN C 1.0 -100.0 -80.0 PHI 25 25 A 13 ASN N A 13 ASN CA A 13 ASN C A 14 GLN N 1.0 10.0 30.0 PSI 26 26 A 13 ASN C A 14 GLN N A 14 GLN CA A 14 GLN C 1.0 -80.0 -60.0 PHI 27 27 A 14 GLN N A 14 GLN CA A 14 GLN C A 15 CYS N 1.0 70.0 90.0 PSI 28 28 A 14 GLN C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -110.0 -90.0 PHI 29 29 A 15 CYS N A 15 CYS CA A 15 CYS C A 16 CYS N 1.0 105.0 125.0 PSI 30 30 A 15 CYS C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -55.0 -35.0 PHI 31 31 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 ASP N 1.0 -85.0 -65.0 PSI 32 32 A 16 CYS C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -135.0 -115.0 PHI 33 33 A 17 ASP N A 17 ASP CA A 17 ASP C A 18 PRO N 1.0 150.0 170.0 PSI 34 34 A 17 ASP O A 17 ASP C A 18 PRO N A 18 PRO CD 1.0 -10.0 10.0 OMEGA 35 35 A 18 PRO N A 18 PRO CA A 18 PRO C A 19 TRP N 1.0 -65.0 -45.0 PSI 36 36 A 18 PRO C A 19 TRP N A 19 TRP CA A 19 TRP C 1.0 -130.0 -110.0 PHI 37 37 A 19 TRP N A 19 TRP CA A 19 TRP C A 20 LEU N 1.0 -115.0 -95.0 PSI 38 38 A 19 TRP C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -130.0 -110.0 PHI 39 39 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 CYS N 1.0 140.0 160.0 PSI 40 40 A 20 LEU C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -100.0 -80.0 PHI 41 41 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 THR N 1.0 105.0 125.0 PSI 42 42 A 21 CYS C A 22 THR N A 22 THR CA A 22 THR C 1.0 -160.0 -140.0 PHI 43 43 A 22 THR N A 22 THR CA A 22 THR C A 23 PRO N 1.0 145.0 165.0 PSI 44 44 A 22 THR O A 22 THR C A 23 PRO N A 23 PRO CD 1.0 -10.0 10.0 OMEGA 45 45 A 23 PRO O A 23 PRO C A 24 PRO N A 24 PRO CD 1.0 160.0 180.0 OMEGA 46 46 A 27 GLY C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -130.0 -110.0 PHI 47 47 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 CYS N 1.0 115.0 135.0 PSI 48 48 A 28 PHE C A 29 CYS N A 29 CYS CA A 29 CYS C 1.0 -100.0 -80.0 PHI 49 49 A 29 CYS N A 29 CYS CA A 29 CYS C A 30 LEU N 1.0 130.0 150.0 PSI 50 50 A 29 CYS C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -160.0 -140.0 PHI stop_ save_