data_nef_c25128_2mso 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 25129 BMRB 2MSQ PDB 2MSO 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 2 CYS SG 1 16 CYS SG 1 6 CYS SG 1 18 CYS SG 1 6 CYS SG 1 23 CYS SG 1 6 CYS SG 1 12 CYS SG 1 12 CYS SG 1 23 CYS SG 1 18 CYS SG 1 23 CYS SG 1 1 SER N 1 30 PRO C 1 12 CYS SG 1 18 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 SER cyclic . . 2 A 2 CYS middle -HG . 3 A 3 ASN middle . . 4 A 4 ASN middle . . 5 A 5 SER middle . . 6 A 6 CYS middle -HG . 7 A 7 GLN middle . . 8 A 8 SER middle . . 9 A 9 HIS middle . . 10 A 10 SER middle . . 11 A 11 ASP middle . . 12 A 12 CYS middle -HG . 13 A 13 ALA middle . . 14 A 14 SER middle . . 15 A 15 HIS middle . . 16 A 16 CYS middle -HG . 17 A 17 ILE middle . . 18 A 18 CYS middle -HG . 19 A 19 THR middle . . 20 A 20 PHE middle . . 21 A 21 ARG middle . . 22 A 22 GLY middle . false 23 A 23 CYS middle -HG . 24 A 24 GLY middle . false 25 A 25 ALA middle . . 26 A 26 VAL middle . . 27 A 27 ASN middle . . 28 A 28 GLY middle . false 29 A 29 LEU middle . . 30 A 30 PRO cyclic . false 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 SER H H 1 8.171 0.001 A 1 SER HA H 1 4.385 0.003 A 1 SER HBy H 1 4.013 0.002 A 1 SER HBx H 1 3.951 0.002 A 2 CYS H H 1 8.045 0.001 A 2 CYS HA H 1 4.895 0.001 A 2 CYS HBy H 1 3.300 0.001 A 2 CYS HBx H 1 2.971 0.002 A 3 ASN H H 1 8.361 0.001 A 3 ASN HA H 1 4.913 0.001 A 3 ASN HBx H 1 2.888 0.003 A 3 ASN HBy H 1 2.888 0.003 A 3 ASN HD2x H 1 6.888 0.000 A 3 ASN HD2y H 1 7.599 0.000 A 4 ASN H H 1 8.363 0.001 A 4 ASN HA H 1 4.831 0.002 A 4 ASN HB2 H 1 3.072 0.002 A 4 ASN HB3 H 1 2.969 0.002 A 4 ASN HD2x H 1 6.899 0.001 A 4 ASN HD2y H 1 7.656 0.001 A 5 SER H H 1 8.574 0.002 A 5 SER HA H 1 4.551 0.001 A 5 SER HBx H 1 3.985 0.002 A 5 SER HBy H 1 3.985 0.002 A 6 CYS H H 1 8.741 0.001 A 6 CYS HA H 1 5.005 0.002 A 6 CYS HB2 H 1 3.288 0.007 A 6 CYS HB3 H 1 3.627 0.003 A 7 GLN H H 1 9.149 0.002 A 7 GLN HA H 1 4.523 0.001 A 7 GLN HBy H 1 2.253 0.002 A 7 GLN HBx H 1 2.056 0.002 A 7 GLN HGx H 1 2.442 0.001 A 7 GLN HGy H 1 2.442 0.001 A 8 SER H H 1 8.271 0.002 A 8 SER HA H 1 4.657 0.002 A 8 SER HBy H 1 4.034 0.003 A 8 SER HBx H 1 3.895 0.002 A 9 HIS H H 1 9.107 0.003 A 9 HIS HA H 1 4.370 0.002 A 9 HIS HBx H 1 3.494 0.001 A 9 HIS HBy H 1 3.494 0.001 A 9 HIS HD2 H 1 7.483 0.001 A 9 HIS HE1 H 1 8.686 0.000 A 10 SER H H 1 7.900 0.002 A 10 SER HA H 1 4.340 0.001 A 10 SER HBx H 1 3.838 0.001 A 10 SER HBy H 1 3.838 0.001 A 11 ASP H H 1 7.734 0.002 A 11 ASP HA H 1 4.769 0.001 A 11 ASP HB2 H 1 2.857 0.002 A 11 ASP HB3 H 1 3.143 0.002 A 12 CYS H H 1 7.824 0.002 A 12 CYS HA H 1 5.222 0.002 A 12 CYS HB2 H 1 2.717 0.003 A 12 CYS HB3 H 1 3.087 0.002 A 13 ALA H H 1 8.675 0.002 A 13 ALA HA H 1 4.393 0.001 A 13 ALA HB% H 1 1.540 0.002 A 14 SER H H 1 8.455 0.002 A 14 SER HA H 1 4.161 0.001 A 14 SER HBx H 1 3.866 0.003 A 14 SER HBy H 1 3.866 0.003 A 15 HIS H H 1 8.197 0.001 A 15 HIS HA H 1 4.620 0.001 A 15 HIS HBy H 1 3.677 0.003 A 15 HIS HBx H 1 3.472 0.004 A 15 HIS HD2 H 1 7.380 0.001 A 15 HIS HE1 H 1 8.688 0.001 A 16 CYS H H 1 8.223 0.002 A 16 CYS HA H 1 5.141 0.002 A 16 CYS HB2 H 1 3.324 0.003 A 16 CYS HB3 H 1 3.266 0.001 A 17 ILE H H 1 9.065 0.001 A 17 ILE HA H 1 4.540 0.002 A 17 ILE HB H 1 1.819 0.001 A 17 ILE HD1% H 1 0.887 0.007 A 17 ILE HG12 H 1 1.406 0.003 A 17 ILE HG13 H 1 1.406 0.003 A 17 ILE HG2% H 1 1.099 0.003 A 18 CYS H H 1 9.192 0.001 A 18 CYS HA H 1 4.951 0.004 A 18 CYS HB2 H 1 2.826 0.002 A 18 CYS HB3 H 1 2.940 0.001 A 19 THR H H 1 8.236 0.001 A 19 THR HA H 1 4.920 0.001 A 19 THR HB H 1 4.496 0.001 A 19 THR HG2% H 1 1.249 0.002 A 20 PHE H H 1 8.949 0.002 A 20 PHE HA H 1 4.544 0.002 A 20 PHE HB2 H 1 3.350 0.001 A 20 PHE HB3 H 1 3.273 0.002 A 20 PHE HDx H 1 7.381 0.001 A 20 PHE HDy H 1 7.381 0.001 A 20 PHE HEx H 1 7.459 0.002 A 20 PHE HEy H 1 7.459 0.002 A 21 ARG H H 1 7.716 0.001 A 21 ARG HA H 1 4.352 0.001 A 21 ARG HBy H 1 1.855 0.001 A 21 ARG HBx H 1 1.540 0.002 A 21 ARG HDx H 1 3.121 0.002 A 21 ARG HDy H 1 3.121 0.002 A 21 ARG HE H 1 7.216 0.001 A 21 ARG HGx H 1 1.172 0.003 A 21 ARG HGy H 1 1.276 0.003 A 22 GLY H H 1 7.794 0.001 A 22 GLY HAx H 1 4.207 0.002 A 22 GLY HAy H 1 4.570 0.001 A 23 CYS H H 1 8.893 0.001 A 23 CYS HA H 1 5.222 0.001 A 23 CYS HB2 H 1 3.069 0.004 A 23 CYS HB3 H 1 2.858 0.005 A 24 GLY H H 1 9.297 0.002 A 24 GLY HAx H 1 3.861 0.002 A 24 GLY HAy H 1 4.586 0.002 A 25 ALA H H 1 8.617 0.001 A 25 ALA HA H 1 4.801 0.001 A 25 ALA HB% H 1 1.564 0.002 A 26 VAL H H 1 8.468 0.002 A 26 VAL HA H 1 4.174 0.003 A 26 VAL HB H 1 2.162 0.002 A 26 VAL HGx% H 1 1.010 0.002 A 26 VAL HGy% H 1 1.010 0.002 A 27 ASN H H 1 8.324 0.001 A 27 ASN HA H 1 4.688 0.001 A 27 ASN HBx H 1 2.990 0.004 A 27 ASN HBy H 1 2.990 0.004 A 27 ASN HD2x H 1 6.872 0.001 A 27 ASN HD2y H 1 7.676 0.001 A 28 GLY H H 1 8.329 0.001 A 28 GLY HAx H 1 3.894 0.001 A 28 GLY HAy H 1 4.071 0.001 A 29 LEU H H 1 7.774 0.001 A 29 LEU HA H 1 4.638 0.001 A 29 LEU HBx H 1 1.707 0.002 A 29 LEU HBy H 1 1.807 0.002 A 29 LEU HDx% H 1 0.991 0.003 A 29 LEU HDy% H 1 0.953 0.003 A 29 LEU HG H 1 1.632 0.003 A 30 PRO HA H 1 4.548 0.004 A 30 PRO HBx H 1 2.323 0.002 A 30 PRO HBy H 1 2.323 0.002 A 30 PRO HD2 H 1 3.897 0.002 A 30 PRO HD3 H 1 3.656 0.002 A 30 PRO HGx H 1 2.080 0.008 A 30 PRO HGy H 1 2.080 0.008 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _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 27 ASN HA A 28 GLY H 1.0 . 3.47 2 2 A 20 PHE H A 20 PHE HA 1.0 . 2.94 3 3 A 1 SER H1 A 1 SER HBx 1.0 . 3.72 4 4 A 1 SER H1 A 1 SER HBy 1.0 . 3.72 5 5 A 13 ALA H A 13 ALA HB% 1.0 . 2.71 6 6 A 14 SER H A 14 SER HBx 1.0 . 3.09 7 6 A 14 SER H A 14 SER HBy 1.0 . 3.09 8 7 A 16 CYS H A 16 CYS HB2 1.0 . 3.51 9 8 A 16 CYS H A 16 CYS HB3 1.0 . 4.11 10 9 A 17 ILE H A 17 ILE HB 1.0 . 3.86 11 10 A 17 ILE H A 17 ILE HG12 1.0 . 4.18 12 10 A 17 ILE H A 17 ILE HG13 1.0 . 4.18 13 11 A 17 ILE H A 17 ILE HG2% 1.0 . 3.77 14 12 A 17 ILE H A 17 ILE HD1% 1.0 . 4.14 15 13 A 18 CYS H A 18 CYS HB3 1.0 . 3.76 16 14 A 18 CYS H A 18 CYS HB2 1.0 . 3.76 17 15 A 19 THR H A 19 THR HG2% 1.0 . 3.79 18 16 A 20 PHE H A 20 PHE HB3 1.0 . 2.85 19 17 A 20 PHE H A 20 PHE HB2 1.0 . 3.62 20 18 A 23 CYS H A 23 CYS HB3 1.0 . 3.86 21 19 A 23 CYS H A 23 CYS HB2 1.0 . 3.11 22 20 A 25 ALA H A 25 ALA HB% 1.0 . 2.81 23 21 A 26 VAL H A 26 VAL HB 1.0 . 3.77 24 22 A 26 VAL H A 26 VAL HGx% 1.0 . 3.08 25 22 A 26 VAL H A 26 VAL HGy% 1.0 . 3.08 26 23 A 27 ASN H A 27 ASN HBx 1.0 . 3.58 27 23 A 27 ASN H A 27 ASN HBy 1.0 . 3.58 28 24 A 28 GLY H A 27 ASN HBx 1.0 . 4.00 29 24 A 28 GLY H A 27 ASN HBy 1.0 . 4.00 30 25 A 29 LEU H A 29 LEU HDy% 1.0 . 4.76 31 26 A 29 LEU H A 29 LEU HDx% 1.0 . 4.76 32 27 A 29 LEU H A 29 LEU HBy 1.0 . 3.31 33 28 A 29 LEU H A 29 LEU HBx 1.0 . 3.31 34 29 A 11 ASP H A 11 ASP HB2 1.0 . 3.30 35 30 A 5 SER H A 5 SER HBx 1.0 . 3.02 36 30 A 5 SER H A 5 SER HBy 1.0 . 3.02 37 31 A 7 GLN H A 7 GLN HGx 1.0 . 4.92 38 31 A 7 GLN H A 7 GLN HGy 1.0 . 4.92 39 32 A 8 SER H A 8 SER HBx 1.0 . 4.03 40 33 A 8 SER H A 8 SER HBy 1.0 . 4.03 41 34 A 10 SER H A 10 SER HBx 1.0 . 3.06 42 34 A 10 SER H A 10 SER HBy 1.0 . 3.06 43 35 A 4 ASN H A 4 ASN HB3 1.0 . 3.91 44 36 A 4 ASN H A 4 ASN HB2 1.0 . 3.91 45 37 A 23 CYS HB2 A 4 ASN H 1.0 . 4.08 46 38 A 3 ASN H A 3 ASN HBx 1.0 . 3.13 47 38 A 3 ASN H A 3 ASN HBy 1.0 . 3.13 48 39 A 21 ARG H A 21 ARG HDx 1.0 . 5.22 49 39 A 21 ARG H A 21 ARG HDy 1.0 . 5.22 50 40 A 21 ARG H A 21 ARG HGy 1.0 . 4.17 51 41 A 21 ARG H A 21 ARG HGx 1.0 . 4.17 52 42 A 1 SER H1 A 2 CYS H 1.0 . 3.91 53 43 A 1 SER H1 A 30 PRO HA 1.0 . 3.51 54 44 A 1 SER H1 A 29 LEU HG 1.0 . 4.67 55 45 A 1 SER H1 A 29 LEU HBx 1.0 . 5.50 56 46 A 3 ASN H A 2 CYS H 1.0 . 4.30 57 47 A 23 CYS H A 4 ASN H 1.0 . 4.60 58 48 A 5 SER HA A 6 CYS H 1.0 . 3.13 59 49 A 6 CYS H A 5 SER HBx 1.0 . 4.20 60 49 A 5 SER HBy A 6 CYS H 1.0 . 4.20 61 50 A 7 GLN H A 6 CYS H 1.0 . 4.81 62 51 A 7 GLN H A 6 CYS HA 1.0 . 3.50 63 52 A 8 SER H A 6 CYS HB2 1.0 . 3.54 64 53 A 8 SER H A 6 CYS HB3 1.0 . 5.36 65 54 A 7 GLN H A 8 SER H 1.0 . 2.93 66 55 A 8 SER H A 7 GLN HBy 1.0 . 3.93 67 56 A 8 SER H A 7 GLN HBx 1.0 . 3.93 68 57 A 7 GLN HA A 7 GLN HGx 1.0 . 4.25 69 57 A 7 GLN HGy A 7 GLN HA 1.0 . 4.25 70 58 A 8 SER HA A 9 HIS H 1.0 . 3.51 71 59 A 9 HIS H A 9 HIS HBx 1.0 . 3.43 72 59 A 9 HIS H A 9 HIS HBy 1.0 . 3.43 73 60 A 10 SER H A 9 HIS H 1.0 . 3.93 74 61 A 11 ASP H A 10 SER H 1.0 . 3.66 75 62 A 10 SER H A 9 HIS HBx 1.0 . 3.91 76 62 A 10 SER H A 9 HIS HBy 1.0 . 3.91 77 63 A 11 ASP H A 10 SER HBx 1.0 . 4.40 78 63 A 11 ASP H A 10 SER HBy 1.0 . 4.40 79 64 A 10 SER HA A 10 SER HBx 1.0 . 2.90 80 64 A 10 SER HBy A 10 SER HA 1.0 . 2.90 81 65 A 6 CYS HB3 A 11 ASP HB3 1.0 . 5.11 82 66 A 11 ASP HB2 A 6 CYS HB3 1.0 . 3.70 83 67 A 13 ALA H A 12 CYS HA 1.0 . 2.84 84 68 A 13 ALA H A 12 CYS HB3 1.0 . 4.24 85 69 A 13 ALA H A 12 CYS HB2 1.0 . 4.24 86 70 A 13 ALA H A 16 CYS HB2 1.0 . 4.18 87 71 A 14 SER H A 13 ALA HA 1.0 . 2.59 88 72 A 13 ALA HB% A 14 SER H 1.0 . 2.73 89 73 A 13 ALA HB% A 12 CYS HA 1.0 . 4.57 90 74 A 14 SER HA A 15 HIS H 1.0 . 3.31 91 75 A 15 HIS HA A 15 HIS HE1 1.0 . 4.79 92 76 A 17 ILE H A 16 CYS HA 1.0 . 3.16 93 77 A 16 CYS HB3 A 24 GLY H 1.0 . 4.29 94 78 A 16 CYS HB3 A 17 ILE H 1.0 . 3.91 95 79 A 16 CYS HB2 A 17 ILE H 1.0 . 5.01 96 80 A 17 ILE H A 24 GLY H 1.0 . 4.31 97 81 A 18 CYS H A 17 ILE HA 1.0 . 2.90 98 82 A 17 ILE HB A 18 CYS H 1.0 . 4.24 99 83 A 18 CYS H A 17 ILE HG12 1.0 . 4.60 100 83 A 17 ILE HG13 A 18 CYS H 1.0 . 4.60 101 84 A 17 ILE HG2% A 18 CYS H 1.0 . 4.66 102 85 A 17 ILE HD1% A 18 CYS H 1.0 . 3.98 103 86 A 17 ILE HD1% A 17 ILE HA 1.0 . 3.52 104 87 A 17 ILE HB A 17 ILE HD1% 1.0 . 3.55 105 88 A 17 ILE HG2% A 17 ILE HG12 1.0 . 3.22 106 88 A 17 ILE HG13 A 17 ILE HG2% 1.0 . 3.22 107 89 A 17 ILE HG2% A 17 ILE HD1% 1.0 . 4.25 108 90 A 6 CYS HB2 A 18 CYS HB2 1.0 . 4.40 109 91 A 6 CYS HB2 A 18 CYS HB3 1.0 . 4.40 110 92 A 19 THR H A 22 GLY H 1.0 . 4.41 111 93 A 19 THR H A 23 CYS HA 1.0 . 4.46 112 94 A 19 THR HG2% A 19 THR HA 1.0 . 4.04 113 95 A 20 PHE H A 19 THR HB 1.0 . 2.58 114 96 A 20 PHE H A 19 THR HG2% 1.0 . 3.56 115 97 A 20 PHE H A 21 ARG H 1.0 . 3.86 116 98 A 20 PHE H A 20 PHE HD% 1.0 . 3.41 117 99 A 20 PHE HD% A 21 ARG HGx 1.0 . 4.40 118 100 A 20 PHE HD% A 21 ARG HGy 1.0 . 4.40 119 101 A 21 ARG HA A 21 ARG HE 1.0 . 5.24 120 102 A 23 CYS H A 22 GLY HAy 1.0 . 3.28 121 103 A 23 CYS H A 22 GLY HAx 1.0 . 3.28 122 104 A 24 GLY H A 23 CYS HA 1.0 . 3.08 123 105 A 12 CYS HA A 4 ASN HD2x 1.0 . 4.49 124 106 A 23 CYS HB2 A 12 CYS HA 1.0 . 4.59 125 107 A 16 CYS HB3 A 23 CYS HB3 1.0 . 4.32 126 108 A 16 CYS HB2 A 23 CYS HB3 1.0 . 4.05 127 109 A 23 CYS H A 24 GLY H 1.0 . 4.79 128 110 A 23 CYS HB3 A 24 GLY H 1.0 . 4.52 129 111 A 25 ALA H A 24 GLY HAy 1.0 . 3.22 130 112 A 25 ALA H A 24 GLY HAx 1.0 . 3.22 131 113 A 25 ALA H A 26 VAL HA 1.0 . 5.34 132 114 A 26 VAL H A 25 ALA HA 1.0 . 3.49 133 115 A 25 ALA HB% A 26 VAL H 1.0 . 3.53 134 116 A 25 ALA HB% A 27 ASN H 1.0 . 4.25 135 117 A 28 GLY H A 25 ALA HB% 1.0 . 4.54 136 118 A 25 ALA HB% A 29 LEU H 1.0 . 4.02 137 119 A 27 ASN H A 26 VAL HA 1.0 . 3.55 138 120 A 26 VAL HB A 27 ASN H 1.0 . 4.21 139 121 A 27 ASN H A 26 VAL HGx% 1.0 . 3.97 140 121 A 26 VAL HGy% A 27 ASN H 1.0 . 3.97 141 122 A 26 VAL HA A 26 VAL HGx% 1.0 . 3.07 142 122 A 26 VAL HGy% A 26 VAL HA 1.0 . 3.07 143 123 A 28 GLY H A 29 LEU H 1.0 . 3.93 144 124 A 26 VAL H A 27 ASN H 1.0 . 3.95 145 125 A 29 LEU H A 28 GLY HAy 1.0 . 3.53 146 126 A 29 LEU H A 28 GLY HAx 1.0 . 3.53 147 127 A 29 LEU HG A 29 LEU HA 1.0 . 3.47 148 128 A 29 LEU HA A 29 LEU HDx% 1.0 . 4.33 149 129 A 29 LEU HA A 29 LEU HDy% 1.0 . 4.33 150 130 A 29 LEU HA A 30 PRO HD2 1.0 . 3.30 151 131 A 29 LEU HA A 30 PRO HD3 1.0 . 3.30 152 132 A 29 LEU HA A 30 PRO HGx 1.0 . 4.63 153 132 A 29 LEU HA A 30 PRO HGy 1.0 . 4.63 154 133 A 25 ALA HB% A 30 PRO HA 1.0 . 4.43 155 134 A 1 SER H1 A 30 PRO HBx 1.0 . 4.20 156 134 A 1 SER H1 A 30 PRO HBy 1.0 . 4.20 157 135 A 1 SER H1 A 29 LEU HBy 1.0 . 5.50 158 136 A 6 CYS HB3 A 4 ASN HD2x 1.0 . 5.50 159 137 A 11 ASP HB2 A 4 ASN HD2x 1.0 . 5.07 160 138 A 5 SER H A 4 ASN HD2x 1.0 . 4.99 161 139 A 11 ASP H A 6 CYS HA 1.0 . 5.50 162 140 A 23 CYS H A 6 CYS HB3 1.0 . 5.50 163 141 A 7 GLN H A 6 CYS HB3 1.0 . 4.99 164 142 A 7 GLN H A 6 CYS HB2 1.0 . 4.79 165 143 A 6 CYS HA A 11 ASP HB3 1.0 . 5.50 166 144 A 11 ASP HB2 A 6 CYS HA 1.0 . 4.11 167 145 A 6 CYS HB3 A 18 CYS HB3 1.0 . 5.50 168 146 A 7 GLN H A 8 SER HA 1.0 . 5.10 169 147 A 11 ASP HB2 A 7 GLN H 1.0 . 5.50 170 148 A 8 SER H A 7 GLN HGx 1.0 . 5.22 171 148 A 7 GLN HGy A 8 SER H 1.0 . 5.22 172 149 A 11 ASP H A 8 SER H 1.0 . 5.09 173 150 A 8 SER H A 9 HIS H 1.0 . 4.05 174 151 A 10 SER H A 8 SER HA 1.0 . 5.38 175 152 A 11 ASP H A 7 GLN H 1.0 . 5.50 176 153 A 11 ASP H A 6 CYS HB3 1.0 . 5.50 177 154 A 11 ASP HB2 A 12 CYS H 1.0 . 5.50 178 155 A 12 CYS HA A 4 ASN HD2y 1.0 . 4.62 179 156 A 17 ILE H A 23 CYS HA 1.0 . 5.50 180 157 A 16 CYS H A 12 CYS HB3 1.0 . 5.50 181 158 A 16 CYS H A 12 CYS HB2 1.0 . 5.50 182 159 A 17 ILE HA A 12 CYS HB2 1.0 . 5.50 183 160 A 17 ILE HA A 12 CYS HB3 1.0 . 5.50 184 161 A 13 ALA H A 16 CYS HB3 1.0 . 4.84 185 162 A 13 ALA HB% A 16 CYS HB3 1.0 . 5.50 186 163 A 14 SER H A 15 HIS H 1.0 . 4.76 187 164 A 16 CYS H A 15 HIS HBy 1.0 . 5.50 188 165 A 16 CYS H A 15 HIS HBx 1.0 . 5.50 189 166 A 16 CYS H A 17 ILE H 1.0 . 5.50 190 167 A 16 CYS HB2 A 12 CYS HA 1.0 . 5.14 191 168 A 16 CYS HB3 A 12 CYS HA 1.0 . 5.34 192 169 A 16 CYS HB3 A 23 CYS HA 1.0 . 5.50 193 170 A 16 CYS HA A 17 ILE HA 1.0 . 5.50 194 171 A 25 ALA HB% A 16 CYS HA 1.0 . 4.51 195 172 A 16 CYS HB3 A 25 ALA HB% 1.0 . 5.50 196 173 A 20 PHE HA A 20 PHE HD% 1.0 . 3.79 197 174 A 17 ILE HA A 18 CYS HB3 1.0 . 5.50 198 175 A 17 ILE HA A 18 CYS HB2 1.0 . 5.50 199 176 A 17 ILE HG2% A 16 CYS HA 1.0 . 5.50 200 177 A 18 CYS H A 9 HIS HA 1.0 . 5.50 201 178 A 24 GLY H A 18 CYS HA 1.0 . 5.11 202 179 A 23 CYS HA A 18 CYS HB3 1.0 . 5.15 203 180 A 23 CYS HA A 18 CYS HB2 1.0 . 5.15 204 181 A 6 CYS HB3 A 18 CYS HB2 1.0 . 5.50 205 182 A 18 CYS H A 19 THR H 1.0 . 5.50 206 183 A 22 GLY H A 19 THR HB 1.0 . 5.04 207 184 A 20 PHE H A 20 PHE HE% 1.0 . 4.43 208 185 A 11 ASP H A 6 CYS HB2 1.0 . 5.50 209 186 A 20 PHE HB2 A 21 ARG H 1.0 . 5.50 210 187 A 20 PHE HE% A 21 ARG HGy 1.0 . 5.50 211 188 A 20 PHE HE% A 21 ARG HGx 1.0 . 5.50 212 189 A 7 GLN H A 10 SER HA 1.0 . 5.50 213 190 A 6 CYS HB2 A 10 SER HA 1.0 . 5.50 214 191 A 21 ARG HA A 21 ARG HDx 1.0 . 5.50 215 191 A 21 ARG HDy A 21 ARG HA 1.0 . 5.50 216 192 A 23 CYS H A 22 GLY H 1.0 . 5.50 217 193 A 19 THR HB A 20 PHE HD% 1.0 . 4.13 218 194 A 19 THR HB A 20 PHE HE% 1.0 . 5.50 219 195 A 23 CYS H A 18 CYS HA 1.0 . 5.50 220 196 A 23 CYS HB2 A 6 CYS HB3 1.0 . 5.50 221 197 A 23 CYS HB3 A 16 CYS HA 1.0 . 5.50 222 198 A 6 CYS HB3 A 12 CYS HA 1.0 . 5.50 223 199 A 25 ALA H A 24 GLY H 1.0 . 4.89 224 200 A 24 GLY H A 17 ILE HG12 1.0 . 5.50 225 200 A 17 ILE HG13 A 24 GLY H 1.0 . 5.50 226 201 A 17 ILE HG2% A 24 GLY H 1.0 . 5.50 227 202 A 25 ALA H A 2 CYS H 1.0 . 5.50 228 203 A 27 ASN HA A 26 VAL HA 1.0 . 5.50 229 204 A 27 ASN HA A 27 ASN HD2x 1.0 . 5.50 230 205 A 27 ASN HA A 27 ASN HD2y 1.0 . 5.50 231 206 A 25 ALA HB% A 30 PRO HGx 1.0 . 5.50 232 206 A 25 ALA HB% A 30 PRO HGy 1.0 . 5.50 233 207 A 1 SER H1 A 1 SER HBy 1.0 . 3.25 234 207 A 1 SER H1 A 1 SER HBx 1.0 . 3.25 235 208 A 1 SER H1 A 29 LEU HBy 1.0 . 4.84 236 208 A 1 SER H1 A 29 LEU HBx 1.0 . 4.84 237 209 A 1 SER H1 A 30 PRO HD2 1.0 . 4.41 238 209 A 1 SER H1 A 30 PRO HD3 1.0 . 4.41 239 210 A 2 CYS H A 1 SER HBy 1.0 . 4.15 240 210 A 2 CYS H A 1 SER HBx 1.0 . 4.15 241 211 A 2 CYS H A 2 CYS HBy 1.0 . 3.42 242 211 A 2 CYS H A 2 CYS HBx 1.0 . 3.42 243 212 A 2 CYS H A 24 GLY HAx 1.0 . 4.85 244 212 A 2 CYS H A 24 GLY HAy 1.0 . 4.85 245 213 A 3 ASN H A 2 CYS HBy 1.0 . 4.01 246 213 A 3 ASN H A 2 CYS HBx 1.0 . 4.01 247 214 A 2 CYS HBy A 24 GLY HAx 1.0 . 4.01 248 214 A 24 GLY HAy A 2 CYS HBy 1.0 . 4.01 249 214 A 2 CYS HBx A 24 GLY HAy 1.0 . 4.01 250 214 A 2 CYS HBx A 24 GLY HAx 1.0 . 4.01 251 215 A 25 ALA H A 2 CYS HBy 1.0 . 5.04 252 215 A 25 ALA H A 2 CYS HBx 1.0 . 5.04 253 216 A 3 ASN HBy A 3 ASN HD2y 1.0 . 3.21 254 216 A 3 ASN HBx A 3 ASN HD2y 1.0 . 3.21 255 216 A 3 ASN HD2x A 3 ASN HBx 1.0 . 3.21 256 216 A 3 ASN HBy A 3 ASN HD2x 1.0 . 3.21 257 217 A 4 ASN H A 4 ASN HB3 1.0 . 3.34 258 217 A 4 ASN H A 4 ASN HB2 1.0 . 3.34 259 218 A 4 ASN HD2x A 4 ASN HB3 1.0 . 2.84 260 218 A 4 ASN HD2x A 4 ASN HB2 1.0 . 2.84 261 219 A 4 ASN HD2y A 4 ASN HB3 1.0 . 3.37 262 219 A 4 ASN HD2y A 4 ASN HB2 1.0 . 3.37 263 220 A 5 SER H A 4 ASN HB3 1.0 . 2.98 264 220 A 5 SER H A 4 ASN HB2 1.0 . 2.98 265 221 A 5 SER HA A 4 ASN HB3 1.0 . 5.34 266 221 A 5 SER HA A 4 ASN HB2 1.0 . 5.34 267 222 A 6 CYS HB3 A 4 ASN HB3 1.0 . 5.34 268 222 A 6 CYS HB3 A 4 ASN HB2 1.0 . 5.34 269 223 A 5 SER H A 22 GLY HAx 1.0 . 5.34 270 223 A 5 SER H A 22 GLY HAy 1.0 . 5.34 271 224 A 6 CYS H A 22 GLY HAx 1.0 . 3.69 272 224 A 6 CYS H A 22 GLY HAy 1.0 . 3.69 273 225 A 6 CYS HB2 A 18 CYS HB2 1.0 . 3.54 274 225 A 6 CYS HB2 A 18 CYS HB3 1.0 . 3.54 275 226 A 7 GLN H A 7 GLN HBy 1.0 . 3.55 276 226 A 7 GLN H A 7 GLN HBx 1.0 . 3.55 277 227 A 8 SER H A 7 GLN HBy 1.0 . 3.35 278 227 A 8 SER H A 7 GLN HBx 1.0 . 3.35 279 228 A 10 SER H A 8 SER HBy 1.0 . 4.96 280 228 A 10 SER H A 8 SER HBx 1.0 . 4.96 281 229 A 9 HIS HA A 12 CYS HB2 1.0 . 5.21 282 229 A 9 HIS HA A 12 CYS HB3 1.0 . 5.21 283 230 A 9 HIS HA A 18 CYS HB2 1.0 . 3.69 284 230 A 9 HIS HA A 18 CYS HB3 1.0 . 3.69 285 231 A 9 HIS HBy A 18 CYS HB2 1.0 . 5.26 286 231 A 9 HIS HBx A 18 CYS HB2 1.0 . 5.26 287 231 A 18 CYS HB3 A 9 HIS HBx 1.0 . 5.26 288 231 A 9 HIS HBy A 18 CYS HB3 1.0 . 5.26 289 232 A 12 CYS H A 12 CYS HB2 1.0 . 3.40 290 232 A 12 CYS H A 12 CYS HB3 1.0 . 3.40 291 233 A 13 ALA H A 12 CYS HB2 1.0 . 3.51 292 233 A 13 ALA H A 12 CYS HB3 1.0 . 3.51 293 234 A 16 CYS HA A 12 CYS HB2 1.0 . 5.34 294 234 A 16 CYS HA A 12 CYS HB3 1.0 . 5.34 295 235 A 16 CYS HB2 A 12 CYS HB2 1.0 . 4.45 296 235 A 16 CYS HB2 A 12 CYS HB3 1.0 . 4.45 297 236 A 16 CYS HB3 A 12 CYS HB2 1.0 . 5.03 298 236 A 16 CYS HB3 A 12 CYS HB3 1.0 . 5.03 299 237 A 18 CYS H A 12 CYS HB2 1.0 . 5.34 300 237 A 18 CYS H A 12 CYS HB3 1.0 . 5.34 301 238 A 18 CYS H A 18 CYS HB2 1.0 . 3.13 302 238 A 18 CYS H A 18 CYS HB3 1.0 . 3.13 303 239 A 21 ARG H A 21 ARG HBy 1.0 . 3.52 304 239 A 21 ARG H A 21 ARG HBx 1.0 . 3.52 305 240 A 21 ARG H A 21 ARG HGx 1.0 . 3.62 306 240 A 21 ARG H A 21 ARG HGy 1.0 . 3.62 307 241 A 21 ARG HA A 21 ARG HGx 1.0 . 3.72 308 241 A 21 ARG HA A 21 ARG HGy 1.0 . 3.72 309 242 A 21 ARG HE A 21 ARG HBy 1.0 . 4.41 310 242 A 21 ARG HE A 21 ARG HBx 1.0 . 4.41 311 243 A 23 CYS H A 22 GLY HAx 1.0 . 2.82 312 243 A 23 CYS H A 22 GLY HAy 1.0 . 2.82 313 244 A 23 CYS HB2 A 22 GLY HAx 1.0 . 5.34 314 244 A 23 CYS HB2 A 22 GLY HAy 1.0 . 5.34 315 245 A 23 CYS HA A 24 GLY HAx 1.0 . 5.34 316 245 A 23 CYS HA A 24 GLY HAy 1.0 . 5.34 317 246 A 23 CYS HB2 A 24 GLY HAx 1.0 . 5.34 318 246 A 23 CYS HB2 A 24 GLY HAy 1.0 . 5.34 319 247 A 23 CYS HB3 A 24 GLY HAx 1.0 . 5.34 320 247 A 23 CYS HB3 A 24 GLY HAy 1.0 . 5.34 321 248 A 25 ALA H A 24 GLY HAx 1.0 . 2.71 322 248 A 25 ALA H A 24 GLY HAy 1.0 . 2.71 323 249 A 25 ALA HB% A 24 GLY HAx 1.0 . 4.86 324 249 A 25 ALA HB% A 24 GLY HAy 1.0 . 4.86 325 250 A 25 ALA HB% A 30 PRO HD2 1.0 . 5.20 326 250 A 25 ALA HB% A 30 PRO HD3 1.0 . 5.20 327 251 A 27 ASN HD2y A 27 ASN HBx 1.0 . 3.22 328 251 A 27 ASN HBy A 27 ASN HD2y 1.0 . 3.22 329 251 A 27 ASN HD2x A 27 ASN HBx 1.0 . 3.22 330 251 A 27 ASN HBy A 27 ASN HD2x 1.0 . 3.22 331 252 A 29 LEU H A 28 GLY HAx 1.0 . 3.05 332 252 A 29 LEU H A 28 GLY HAy 1.0 . 3.05 333 253 A 28 GLY HAy A 29 LEU HDy% 1.0 . 5.28 334 253 A 28 GLY HAx A 29 LEU HDy% 1.0 . 5.28 335 253 A 29 LEU HDx% A 28 GLY HAx 1.0 . 5.28 336 253 A 28 GLY HAy A 29 LEU HDx% 1.0 . 5.28 337 254 A 29 LEU H A 29 LEU HBy 1.0 . 2.84 338 254 A 29 LEU H A 29 LEU HBx 1.0 . 2.84 339 255 A 29 LEU H A 29 LEU HDy% 1.0 . 4.14 340 255 A 29 LEU H A 29 LEU HDx% 1.0 . 4.14 341 256 A 29 LEU H A 30 PRO HD2 1.0 . 4.91 342 256 A 29 LEU H A 30 PRO HD3 1.0 . 4.91 343 257 A 29 LEU HA A 29 LEU HDy% 1.0 . 3.56 344 257 A 29 LEU HA A 29 LEU HDx% 1.0 . 3.56 345 258 A 29 LEU HG A 29 LEU HBy 1.0 . 2.52 346 258 A 29 LEU HG A 29 LEU HBx 1.0 . 2.52 347 259 A 29 LEU HBx A 29 LEU HDy% 1.0 . 2.42 348 259 A 29 LEU HBy A 29 LEU HDy% 1.0 . 2.42 349 259 A 29 LEU HDx% A 29 LEU HBy 1.0 . 2.42 350 259 A 29 LEU HBx A 29 LEU HDx% 1.0 . 2.42 351 260 A 29 LEU HBy A 30 PRO HD2 1.0 . 4.13 352 260 A 29 LEU HBx A 30 PRO HD2 1.0 . 4.13 353 260 A 30 PRO HD3 A 29 LEU HBy 1.0 . 4.13 354 260 A 29 LEU HBx A 30 PRO HD3 1.0 . 4.13 355 261 A 29 LEU HG A 30 PRO HD2 1.0 . 3.61 356 261 A 29 LEU HG A 30 PRO HD3 1.0 . 3.61 357 262 A 29 LEU HDy% A 30 PRO HD2 1.0 . 3.78 358 262 A 29 LEU HDx% A 30 PRO HD2 1.0 . 3.78 359 262 A 30 PRO HD3 A 29 LEU HDy% 1.0 . 3.78 360 262 A 30 PRO HD3 A 29 LEU HDx% 1.0 . 3.78 stop_ save_ save_DYANA/DIANA_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_5 _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 SER N A 1 SER CA A 1 SER CB A 1 SER OG 1.0 150.0 210.0 CHI1 2 2 A 1 SER C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -150.0 -90.0 PHI 3 3 A 2 CYS N A 2 CYS CA A 2 CYS CB A 2 CYS SG 1.0 -90.0 -30.0 CHI1 4 4 A 2 CYS C A 3 ASN N A 3 ASN CA A 3 ASN C 1.0 -180.0 -20.0 PHI 5 5 A 3 ASN C A 4 ASN N A 4 ASN CA A 4 ASN C 1.0 -180.0 -20.0 PHI 6 6 A 4 ASN C A 5 SER N A 5 SER CA A 5 SER C 1.0 -180.0 -20.0 PHI 7 7 A 5 SER C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -180.0 -20.0 PHI 8 8 A 6 CYS N A 6 CYS CA A 6 CYS CB A 6 CYS SG 1.0 30.0 90.0 CHI1 9 9 A 6 CYS C A 7 GLN N A 7 GLN CA A 7 GLN C 1.0 -180.0 -20.0 PHI 10 10 A 8 SER C A 9 HIS N A 9 HIS CA A 9 HIS C 1.0 10.0 90.0 PHI 11 11 A 9 HIS C A 10 SER N A 10 SER CA A 10 SER C 1.0 -80.0 -50.0 PHI 12 12 A 10 SER C A 11 ASP N A 11 ASP CA A 11 ASP C 1.0 -180.0 -20.0 PHI 13 13 A 11 ASP N A 11 ASP CA A 11 ASP CB A 11 ASP CG 1.0 -90.0 -30.0 CHI1 14 14 A 11 ASP C A 12 CYS N A 12 CYS CA A 12 CYS C 1.0 -180.0 -20.0 PHI 15 15 A 12 CYS N A 12 CYS CA A 12 CYS CB A 12 CYS SG 1.0 -90.0 -30.0 CHI1 16 16 A 12 CYS C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -180.0 -20.0 PHI 17 17 A 13 ALA C A 14 SER N A 14 SER CA A 14 SER C 1.0 10.0 90.0 PHI 18 18 A 14 SER C A 15 HIS N A 15 HIS CA A 15 HIS C 1.0 10.0 90.0 PHI 19 19 A 15 HIS C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -180.0 -20.0 PHI 20 20 A 16 CYS C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -180.0 -20.0 PHI 21 21 A 17 ILE C A 18 CYS N A 18 CYS CA A 18 CYS C 1.0 -180.0 -20.0 PHI 22 22 A 18 CYS N A 18 CYS CA A 18 CYS CB A 18 CYS SG 1.0 -90.0 -30.0 CHI1 23 23 A 18 CYS C A 19 THR N A 19 THR CA A 19 THR C 1.0 -180.0 -20.0 PHI 24 24 A 19 THR C A 20 PHE N A 20 PHE CA A 20 PHE C 1.0 -180.0 -20.0 PHI 25 25 A 21 ARG C A 22 GLY N A 22 GLY CA A 22 GLY C 1.0 10.0 90.0 PHI 26 26 A 22 GLY C A 23 CYS N A 23 CYS CA A 23 CYS C 1.0 -180.0 -20.0 PHI 27 27 A 23 CYS N A 23 CYS CA A 23 CYS CB A 23 CYS SG 1.0 -90.0 -30.0 CHI1 28 28 A 23 CYS C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 -180.0 -20.0 PHI 29 29 A 24 GLY C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -180.0 -20.0 PHI 30 30 A 25 ALA C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -180.0 -20.0 PHI 31 31 A 26 VAL C A 27 ASN N A 27 ASN CA A 27 ASN C 1.0 10.0 90.0 PHI 32 32 A 27 ASN C A 28 GLY N A 28 GLY CA A 28 GLY C 1.0 10.0 90.0 PHI 33 33 A 28 GLY C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -180.0 -20.0 PHI stop_ save_