data_nef_c19102_2m61 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 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 14 CYS SG 1 2 CYS SG 1 10 CYS SG 1 6 CYS SG 1 13 CYS SG 1 11 HIS C 1 12 HYP N 1 12 HYP C 1 13 CYS N 1 14 CYS C 1 15 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 CYS start -HG . 2 A 2 CYS middle -HG . 3 A 3 ARG middle . . 4 A 4 LEU middle . . 5 A 5 ALA middle . . 6 A 6 CYS middle -HG . 7 A 7 GLY middle . false 8 A 8 LEU middle . . 9 A 9 GLY middle . false 10 A 10 CYS middle -HG . 11 A 11 HIS middle . . 12 A 12 HYP middle . true 13 A 13 CYS middle -HG . 14 A 14 CYS middle -HG . 15 A 15 NH2 end . . stop_ save_ save_ar1446_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode ar1446_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 CYS HA H 1 4.16 0.01 A 1 CYS HBy H 1 3.13 0.01 A 1 CYS HBx H 1 2.98 0.01 A 1 CYS CA C 13 52.48 0.02 A 1 CYS CB C 13 40.25 0.02 A 2 CYS H H 1 8.81 0.01 A 2 CYS HA H 1 4.73 0.01 A 2 CYS HBy H 1 3.47 0.01 A 2 CYS HBx H 1 3.35 0.01 A 2 CYS CA C 13 56.43 0.02 A 2 CYS CB C 13 45.09 0.02 A 3 ARG H H 1 8.93 0.01 A 3 ARG HA H 1 4.40 0.01 A 3 ARG HBy H 1 1.85 0.01 A 3 ARG HBx H 1 1.73 0.01 A 3 ARG HDy H 1 3.20 0.01 A 3 ARG HDx H 1 3.16 0.01 A 3 ARG HGy H 1 1.70 0.01 A 3 ARG HGx H 1 1.64 0.01 A 3 ARG CA C 13 55.15 0.02 A 3 ARG CB C 13 30.39 0.02 A 3 ARG CD C 13 41.63 0.02 A 3 ARG CG C 13 26.40 0.02 A 4 LEU H H 1 8.00 0.01 A 4 LEU HA H 1 4.32 0.01 A 4 LEU HBy H 1 1.69 0.01 A 4 LEU HBx H 1 1.63 0.01 A 4 LEU HD1% H 1 0.95 0.01 A 4 LEU HD2% H 1 0.93 0.01 A 4 LEU HG H 1 1.63 0.01 A 4 LEU CA C 13 53.81 0.02 A 4 LEU CB C 13 41.62 0.02 A 4 LEU CD1 C 13 23.10 0.02 A 4 LEU CD2 C 13 21.47 0.02 A 4 LEU CG C 13 25.72 0.02 A 5 ALA H H 1 7.99 0.01 A 5 ALA HA H 1 4.168 0.01 A 5 ALA HB% H 1 1.31 0.01 A 5 ALA CA C 13 50.08 0.02 A 5 ALA CB C 13 16.98 0.02 A 6 CYS H H 1 8.18 0.01 A 6 CYS HA H 1 5.13 0.01 A 6 CYS HBy H 1 3.25 0.01 A 6 CYS HBx H 1 3.07 0.01 A 6 CYS CA C 13 54.20 0.02 A 6 CYS CB C 13 40.85 0.02 A 7 GLY H H 1 8.350 0.01 A 7 GLY HAy H 1 4.38 0.01 A 7 GLY HAx H 1 3.80 0.01 A 7 GLY CA C 13 43.32 0.02 A 8 LEU H H 1 8.98 0.01 A 8 LEU HA H 1 3.99 0.01 A 8 LEU HBx H 1 1.61 0.01 A 8 LEU HBy H 1 1.61 0.01 A 8 LEU HDx% H 1 0.96 0.01 A 8 LEU HDy% H 1 0.89 0.01 A 8 LEU HG H 1 1.72 0.01 A 8 LEU CA C 13 56.41 0.02 A 8 LEU CB C 13 40.72 0.02 A 8 LEU CDy C 13 22.705 0.02 A 8 LEU CDx C 13 21.76 0.02 A 8 LEU CG C 13 25.47 0.02 A 9 GLY H H 1 8.38 0.01 A 9 GLY HAy H 1 4.14 0.01 A 9 GLY HAx H 1 3.60 0.01 A 9 GLY CA C 13 43.34 0.02 A 10 CYS H H 1 7.41 0.01 A 10 CYS HA H 1 4.61 0.01 A 10 CYS HBy H 1 3.57 0.01 A 10 CYS HBx H 1 2.48 0.01 A 10 CYS CA C 13 57.67 0.02 A 10 CYS CB C 13 36.24 0.02 A 11 HIS H H 1 8.33 0.01 A 11 HIS HA H 1 4.79 0.01 A 11 HIS HBy H 1 3.61 0.01 A 11 HIS HBx H 1 3.15 0.01 A 11 HIS HD2 H 1 7.40 0.01 A 11 HIS HE1 H 1 8.78 0.01 A 11 HIS CA C 13 52.09 0.02 A 11 HIS CB C 13 26.51 0.02 A 12 HYP HA H 1 4.87 0.01 A 12 HYP HBy H 1 2.60 0.01 A 12 HYP HBx H 1 2.16 0.01 A 12 HYP HD2y H 1 3.77 0.01 A 12 HYP HD2x H 1 3.55 0.01 A 12 HYP HG H 1 4.46 0.01 A 12 HYP CA C 13 58.72 0.02 A 12 HYP CB C 13 41.92 0.02 A 12 HYP CD C 13 56.81 0.02 A 12 HYP CG C 13 68.76 0.02 A 13 CYS H H 1 9.57 0.01 A 13 CYS HA H 1 5.09 0.01 A 13 CYS HBy H 1 3.36 0.01 A 13 CYS HBx H 1 3.21 0.01 A 13 CYS CA C 13 54.25 0.02 A 13 CYS CB C 13 39.49 0.02 A 14 CYS HA H 1 4.64 0.01 A 14 CYS HBx H 1 2.92 0.01 A 14 CYS HBy H 1 3.14 0.01 A 14 CYS CA C 13 53.06 0.02 A 14 CYS CB C 13 40.26 0.02 A 15 NH2 HN1 H 1 7.64 0.01 A 15 NH2 HN2 H 1 7.25 0.01 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _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 CYS HA A 1 CYS HBy 1.0 . 3.5 2 2 A 1 CYS HA A 1 CYS HBx 1.0 . 3.5 3 3 A 1 CYS HA A 2 CYS H 1.0 . 2.4 4 4 A 1 CYS HBx A 2 CYS H 1.0 . 5.0 5 5 A 1 CYS HBy A 14 CYS H 1.0 . 3.5 6 6 A 1 CYS HBy A 14 CYS HA 1.0 . 4.5 7 7 A 1 CYS CA A 14 CYS CA 1.0 . 6.0 8 8 A 1 CYS CB A 14 CYS CB 1.0 . 4.0 9 9 A 2 CYS H A 2 CYS HA 1.0 . 3.5 10 10 A 2 CYS H A 2 CYS HBy 1.0 . 3.5 11 11 A 2 CYS H A 2 CYS HBx 1.0 . 5.0 12 12 A 2 CYS HA A 2 CYS HBy 1.0 . 3.5 13 13 A 2 CYS HA A 3 ARG H 1.0 . 2.4 14 14 A 2 CYS HBy A 3 ARG H 1.0 . 5.0 15 15 A 2 CYS HBx A 3 ARG H 1.0 . 3.5 16 16 A 2 CYS H A 13 CYS HA 1.0 . 3.5 17 17 A 2 CYS CA A 10 CYS CA 1.0 . 6.5 18 18 A 2 CYS CB A 10 CYS CB 1.0 . 4.5 19 19 A 3 ARG H A 3 ARG HA 1.0 . 3.5 20 20 A 3 ARG H A 3 ARG HBy 1.0 . 5.0 21 21 A 3 ARG H A 3 ARG HBx 1.0 . 0.0 22 22 A 3 ARG HA A 3 ARG HBx 1.0 . 3.5 23 23 A 3 ARG HA A 3 ARG HBy 1.0 . 0.0 24 24 A 3 ARG HA A 3 ARG HGy 1.0 . 5.0 25 24 A 3 ARG HA A 3 ARG HGx 1.0 . 5.0 26 25 A 3 ARG HA A 3 ARG HDy 1.0 . 5.0 27 25 A 3 ARG HA A 3 ARG HDx 1.0 . 5.0 28 26 A 3 ARG HA A 3 ARG HE 1.0 . 5.0 29 27 A 3 ARG HBy A 3 ARG HGy 1.0 . 3.5 30 27 A 3 ARG HBy A 3 ARG HGx 1.0 . 3.5 31 28 A 3 ARG HBx A 3 ARG HGy 1.0 . 0.0 32 28 A 3 ARG HBx A 3 ARG HGx 1.0 . 0.0 33 29 A 3 ARG HBy A 3 ARG HDy 1.0 . 5.0 34 29 A 3 ARG HBy A 3 ARG HDx 1.0 . 5.0 35 30 A 3 ARG HBx A 3 ARG HDy 1.0 . 0.0 36 30 A 3 ARG HBx A 3 ARG HDx 1.0 . 0.0 37 31 A 3 ARG HBy A 3 ARG HE 1.0 . 5.0 38 32 A 3 ARG HBx A 3 ARG HE 1.0 . 0.0 39 33 A 3 ARG HDy A 3 ARG HGy 1.0 . 3.5 40 33 A 3 ARG HDx A 3 ARG HGy 1.0 . 3.5 41 33 A 3 ARG HGx A 3 ARG HDy 1.0 . 3.5 42 33 A 3 ARG HGx A 3 ARG HDx 1.0 . 3.5 43 34 A 3 ARG HE A 3 ARG HGy 1.0 . 5.0 44 34 A 3 ARG HGx A 3 ARG HE 1.0 . 5.0 45 35 A 3 ARG HE A 3 ARG HDy 1.0 . 3.5 46 35 A 3 ARG HDx A 3 ARG HE 1.0 . 3.5 47 36 A 3 ARG H A 4 LEU H 1.0 . 3.5 48 37 A 3 ARG HA A 4 LEU H 1.0 . 3.5 49 38 A 3 ARG HBy A 4 LEU H 1.0 . 3.5 50 39 A 3 ARG HBx A 4 LEU H 1.0 . 3.5 51 40 A 13 CYS HBy A 3 ARG HDy 1.0 . 6.0 52 40 A 3 ARG HDx A 13 CYS HBy 1.0 . 6.0 53 41 A 13 CYS HBx A 3 ARG HDy 1.0 . 0.0 54 41 A 3 ARG HDx A 13 CYS HBx 1.0 . 0.0 55 42 A 14 CYS H A 3 ARG HA 1.0 . 3.5 56 43 A 3 ARG HA A 14 CYS HBx 1.0 . 5.0 57 44 A 4 LEU H A 4 LEU HA 1.0 . 3.5 58 45 A 4 LEU H A 4 LEU HBy 1.0 . 3.5 59 45 A 4 LEU H A 4 LEU HBx 1.0 . 3.5 60 46 A 4 LEU H A 4 LEU HD1% 1.0 . 5.0 61 46 A 4 LEU H A 4 LEU HD2% 1.0 . 5.0 62 47 A 4 LEU HA A 4 LEU HBy 1.0 . 3.5 63 47 A 4 LEU HA A 4 LEU HBx 1.0 . 3.5 64 48 A 4 LEU HA A 4 LEU HD1% 1.0 . 5.0 65 48 A 4 LEU HA A 4 LEU HD2% 1.0 . 5.0 66 49 A 4 LEU HBy A 4 LEU HD1% 1.0 . 5.0 67 49 A 4 LEU HBx A 4 LEU HD1% 1.0 . 5.0 68 49 A 4 LEU HD2% A 4 LEU HBy 1.0 . 5.0 69 49 A 4 LEU HBx A 4 LEU HD2% 1.0 . 5.0 70 50 A 4 LEU HA A 6 CYS H 1.0 . 5.0 71 51 A 5 ALA H A 5 ALA HA 1.0 . 3.5 72 52 A 5 ALA H A 5 ALA HB% 1.0 . 3.5 73 53 A 6 CYS H A 5 ALA H 1.0 . 3.5 74 54 A 6 CYS H A 5 ALA HA 1.0 . 3.5 75 55 A 6 CYS H A 5 ALA HB% 1.0 . 3.5 76 56 A 5 ALA HB% A 8 LEU HDx% 1.0 . 3.5 77 57 A 5 ALA HB% A 10 CYS HBy 1.0 . 3.5 78 58 A 5 ALA HB% A 10 CYS HBx 1.0 . 0.0 79 59 A 6 CYS H A 6 CYS HA 1.0 . 3.5 80 60 A 6 CYS H A 6 CYS HBy 1.0 . 5.0 81 61 A 6 CYS H A 6 CYS HBx 1.0 . 5.0 82 62 A 6 CYS HA A 6 CYS HBy 1.0 . 3.5 83 63 A 6 CYS HA A 6 CYS HBx 1.0 . 3.5 84 64 A 6 CYS HA A 7 GLY H 1.0 . 3.5 85 65 A 6 CYS HBy A 7 GLY H 1.0 . 5.0 86 66 A 6 CYS HBx A 7 GLY H 1.0 . 0.0 87 67 A 10 CYS HBx A 6 CYS HA 1.0 . 3.5 88 68 A 6 CYS HA A 10 CYS HA 1.0 . 5.0 89 69 A 6 CYS CA A 13 CYS CA 1.0 . 6.5 90 70 A 6 CYS CB A 13 CYS CB 1.0 . 4.5 91 71 A 7 GLY H A 7 GLY HAy 1.0 . 3.5 92 72 A 7 GLY H A 7 GLY HAx 1.0 . 0.0 93 73 A 7 GLY HAy A 8 LEU H 1.0 . 3.5 94 74 A 7 GLY HAx A 8 LEU H 1.0 . 0.0 95 75 A 8 LEU H A 8 LEU HA 1.0 . 3.5 96 76 A 8 LEU H A 8 LEU HBx 1.0 . 5.0 97 76 A 8 LEU H A 8 LEU HBy 1.0 . 5.0 98 77 A 8 LEU H A 8 LEU HG 1.0 . 5.0 99 78 A 8 LEU HA A 8 LEU HBx 1.0 . 3.5 100 78 A 8 LEU HA A 8 LEU HBy 1.0 . 3.5 101 79 A 8 LEU HDx% A 8 LEU HA 1.0 . 5.0 102 80 A 8 LEU HA A 8 LEU HDy% 1.0 . 0.0 103 81 A 8 LEU H A 9 GLY H 1.0 . 5.0 104 82 A 8 LEU HA A 9 GLY H 1.0 . 3.5 105 83 A 9 GLY H A 8 LEU HBx 1.0 . 5.0 106 83 A 8 LEU HBy A 9 GLY H 1.0 . 5.0 107 84 A 9 GLY H A 9 GLY HAy 1.0 . 5.0 108 85 A 9 GLY H A 9 GLY HAx 1.0 . 0.0 109 86 A 9 GLY H A 10 CYS H 1.0 . 3.5 110 87 A 9 GLY HAy A 10 CYS H 1.0 . 3.5 111 88 A 9 GLY HAx A 10 CYS H 1.0 . 0.0 112 89 A 10 CYS HA A 10 CYS H 1.0 . 3.5 113 90 A 10 CYS HBy A 10 CYS H 1.0 . 3.5 114 91 A 10 CYS HBx A 10 CYS H 1.0 . 5.0 115 92 A 10 CYS HBx A 10 CYS HA 1.0 . 3.5 116 93 A 10 CYS HBy A 10 CYS HA 1.0 . 3.5 117 94 A 2 CYS CA A 10 CYS CA 1.0 . 6.5 118 95 A 2 CYS CB A 10 CYS CB 1.0 . 4.5 119 96 A 10 CYS HA A 11 HIS H 1.0 . 2.6 120 97 A 10 CYS HBy A 11 HIS H 1.0 . 5.0 121 98 A 10 CYS HBx A 11 HIS H 1.0 . 0.0 122 99 A 11 HIS H A 11 HIS HA 1.0 . 3.5 123 100 A 11 HIS HA A 11 HIS HBy 1.0 . 3.5 124 101 A 11 HIS HA A 11 HIS HBx 1.0 . 3.5 125 102 A 11 HIS HBy A 11 HIS HD2 1.0 . 3.5 126 103 A 11 HIS HBx A 11 HIS HD2 1.0 . 4.5 127 104 A 11 HIS HBx A 11 HIS HE1 1.0 . 5.0 128 105 A 12 HYP HBy A 13 CYS H 1.0 . 4.5 129 106 A 13 CYS H A 12 HYP HBx 1.0 . 4.5 130 107 A 13 CYS H A 12 HYP HA 1.0 . 2.6 131 108 A 13 CYS HA A 13 CYS H 1.0 . 3.5 132 109 A 13 CYS HBy A 13 CYS H 1.0 . 4.0 133 110 A 13 CYS HBx A 13 CYS H 1.0 . 4.0 134 111 A 13 CYS HA A 13 CYS HBy 1.0 . 3.5 135 112 A 13 CYS HA A 13 CYS HBx 1.0 . 3.5 136 113 A 6 CYS CA A 13 CYS CA 1.0 . 6.5 137 114 A 6 CYS CB A 13 CYS CB 1.0 . 4.5 138 115 A 14 CYS H A 13 CYS HA 1.0 . 3.5 139 116 A 14 CYS H A 13 CYS HBy 1.0 . 3.5 140 117 A 14 CYS H A 13 CYS HBx 1.0 . 3.0 141 118 A 14 CYS H A 14 CYS HA 1.0 . 3.5 142 119 A 14 CYS H A 14 CYS HBx 1.0 . 5.0 143 120 A 14 CYS H A 14 CYS HBy 1.0 . 3.5 144 121 A 14 CYS HA A 14 CYS HBx 1.0 . 3.5 145 122 A 14 CYS HA A 14 CYS HBy 1.0 . 3.5 146 123 A 1 CYS CA A 14 CYS CA 1.0 . 6.0 147 124 A 1 CYS CB A 14 CYS CB 1.0 . 4.0 148 125 A 7 GLY HAy A 11 HIS HE1 1.0 . 5.0 149 126 A 2 CYS HA A 4 LEU H 1.0 . 5.0 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 undefined _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 2 CYS SG A 10 CYS SG 1.0 . 2.05 2 2 A 10 CYS CB A 2 CYS SG 1.0 . 3.05 3 3 A 2 CYS CB A 10 CYS SG 1.0 . 3.05 4 4 A 6 CYS SG A 13 CYS SG 1.0 . 2.05 5 5 A 13 CYS CB A 6 CYS SG 1.0 . 3.05 6 6 A 6 CYS CB A 13 CYS SG 1.0 . 3.05 7 7 A 1 CYS SG A 14 CYS SG 1.0 . 2.05 8 8 A 14 CYS CB A 1 CYS SG 1.0 . 3.05 9 9 A 1 CYS CB A 14 CYS SG 1.0 . 3.05 10 10 A 2 CYS SG A 10 CYS SG 1.0 . 2.05 11 11 A 10 CYS CB A 2 CYS SG 1.0 . 3.05 12 12 A 2 CYS CB A 10 CYS SG 1.0 . 3.05 13 13 A 6 CYS SG A 13 CYS SG 1.0 . 2.05 14 14 A 13 CYS CB A 6 CYS SG 1.0 . 3.05 15 15 A 6 CYS CB A 13 CYS SG 1.0 . 3.05 16 16 A 1 CYS SG A 14 CYS SG 1.0 . 2.05 17 17 A 14 CYS CB A 1 CYS SG 1.0 . 3.05 18 18 A 1 CYS CB A 14 CYS SG 1.0 . 3.05 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _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 CYS HA A 1 CYS HBy 1.0 . 2.0 2 2 A 1 CYS HA A 1 CYS HBx 1.0 . 2.0 3 3 A 1 CYS HA A 2 CYS H 1.0 . 2.0 4 4 A 1 CYS HBx A 2 CYS H 1.0 . 2.0 5 5 A 1 CYS HBy A 14 CYS H 1.0 . 2.0 6 6 A 1 CYS HBy A 14 CYS HA 1.0 . 2.0 7 7 A 1 CYS CA A 14 CYS CA 1.0 . 2.0 8 8 A 1 CYS CB A 14 CYS CB 1.0 . 2.0 9 9 A 2 CYS H A 2 CYS HA 1.0 . 2.0 10 10 A 2 CYS H A 2 CYS HBy 1.0 . 2.0 11 11 A 2 CYS H A 2 CYS HBx 1.0 . 2.0 12 12 A 2 CYS HA A 2 CYS HBy 1.0 . 2.0 13 13 A 2 CYS HA A 3 ARG H 1.0 . 2.0 14 14 A 2 CYS HBy A 3 ARG H 1.0 . 2.0 15 15 A 2 CYS HBx A 3 ARG H 1.0 . 2.0 16 16 A 2 CYS H A 13 CYS HA 1.0 . 2.0 17 17 A 2 CYS CA A 10 CYS CA 1.0 . 2.0 18 18 A 2 CYS CB A 10 CYS CB 1.0 . 2.0 19 19 A 3 ARG H A 3 ARG HA 1.0 . 2.0 20 20 A 3 ARG H A 3 ARG HBy 1.0 . 2.0 21 21 A 3 ARG H A 3 ARG HBx 1.0 . 2.0 22 22 A 3 ARG HA A 3 ARG HBx 1.0 . 2.0 23 23 A 3 ARG HA A 3 ARG HBy 1.0 . 2.0 24 24 A 3 ARG HA A 3 ARG HGy 1.0 . 2.0 25 24 A 3 ARG HA A 3 ARG HGx 1.0 . 2.0 26 25 A 3 ARG HA A 3 ARG HDy 1.0 . 2.0 27 25 A 3 ARG HA A 3 ARG HDx 1.0 . 2.0 28 26 A 3 ARG HA A 3 ARG HE 1.0 . 2.0 29 27 A 3 ARG HBy A 3 ARG HGy 1.0 . 2.0 30 27 A 3 ARG HBy A 3 ARG HGx 1.0 . 2.0 31 28 A 3 ARG HBx A 3 ARG HGy 1.0 . 2.0 32 28 A 3 ARG HBx A 3 ARG HGx 1.0 . 2.0 33 29 A 3 ARG HBy A 3 ARG HDy 1.0 . 2.0 34 29 A 3 ARG HBy A 3 ARG HDx 1.0 . 2.0 35 30 A 3 ARG HBx A 3 ARG HDy 1.0 . 2.0 36 30 A 3 ARG HBx A 3 ARG HDx 1.0 . 2.0 37 31 A 3 ARG HBy A 3 ARG HE 1.0 . 2.0 38 32 A 3 ARG HBx A 3 ARG HE 1.0 . 2.0 39 33 A 3 ARG HDy A 3 ARG HGy 1.0 . 2.0 40 33 A 3 ARG HDx A 3 ARG HGy 1.0 . 2.0 41 33 A 3 ARG HGx A 3 ARG HDy 1.0 . 2.0 42 33 A 3 ARG HGx A 3 ARG HDx 1.0 . 2.0 43 34 A 3 ARG HE A 3 ARG HGy 1.0 . 2.0 44 34 A 3 ARG HGx A 3 ARG HE 1.0 . 2.0 45 35 A 3 ARG HE A 3 ARG HDy 1.0 . 2.0 46 35 A 3 ARG HDx A 3 ARG HE 1.0 . 2.0 47 36 A 3 ARG H A 4 LEU H 1.0 . 2.0 48 37 A 3 ARG HA A 4 LEU H 1.0 . 2.0 49 38 A 3 ARG HBy A 4 LEU H 1.0 . 2.0 50 39 A 3 ARG HBx A 4 LEU H 1.0 . 2.0 51 40 A 13 CYS HBy A 3 ARG HDy 1.0 . 2.0 52 40 A 3 ARG HDx A 13 CYS HBy 1.0 . 2.0 53 41 A 13 CYS HBx A 3 ARG HDy 1.0 . 2.0 54 41 A 3 ARG HDx A 13 CYS HBx 1.0 . 2.0 55 42 A 14 CYS H A 3 ARG HA 1.0 . 2.0 56 43 A 3 ARG HA A 14 CYS HBx 1.0 . 2.0 57 44 A 4 LEU H A 4 LEU HA 1.0 . 2.0 58 45 A 4 LEU H A 4 LEU HBy 1.0 . 2.0 59 45 A 4 LEU H A 4 LEU HBx 1.0 . 2.0 60 46 A 4 LEU H A 4 LEU HD1% 1.0 . 2.0 61 46 A 4 LEU H A 4 LEU HD2% 1.0 . 2.0 62 47 A 4 LEU HA A 4 LEU HBy 1.0 . 2.0 63 47 A 4 LEU HA A 4 LEU HBx 1.0 . 2.0 64 48 A 4 LEU HA A 4 LEU HD1% 1.0 . 2.0 65 48 A 4 LEU HA A 4 LEU HD2% 1.0 . 2.0 66 49 A 4 LEU HBx A 4 LEU HD1% 1.0 . 2.0 67 49 A 4 LEU HBy A 4 LEU HD1% 1.0 . 2.0 68 49 A 4 LEU HD2% A 4 LEU HBy 1.0 . 2.0 69 49 A 4 LEU HBx A 4 LEU HD2% 1.0 . 2.0 70 50 A 4 LEU HA A 6 CYS H 1.0 . 2.0 71 51 A 5 ALA H A 5 ALA HA 1.0 . 2.0 72 52 A 5 ALA H A 5 ALA HB% 1.0 . 2.0 73 53 A 6 CYS H A 5 ALA H 1.0 . 2.0 74 54 A 6 CYS H A 5 ALA HA 1.0 . 2.0 75 55 A 6 CYS H A 5 ALA HB% 1.0 . 2.0 76 56 A 5 ALA HB% A 8 LEU HDx% 1.0 . 2.0 77 57 A 5 ALA HB% A 10 CYS HBy 1.0 . 2.0 78 58 A 5 ALA HB% A 10 CYS HBx 1.0 . 2.0 79 59 A 6 CYS H A 6 CYS HA 1.0 . 2.0 80 60 A 6 CYS H A 6 CYS HBy 1.0 . 2.0 81 61 A 6 CYS H A 6 CYS HBx 1.0 . 2.0 82 62 A 6 CYS HA A 6 CYS HBy 1.0 . 2.0 83 63 A 6 CYS HA A 6 CYS HBx 1.0 . 2.0 84 64 A 6 CYS HA A 7 GLY H 1.0 . 2.0 85 65 A 6 CYS HBy A 7 GLY H 1.0 . 2.0 86 66 A 6 CYS HBx A 7 GLY H 1.0 . 2.0 87 67 A 10 CYS HBx A 6 CYS HA 1.0 . 2.0 88 68 A 6 CYS HA A 10 CYS HA 1.0 . 2.0 89 69 A 6 CYS CA A 13 CYS CA 1.0 . 2.0 90 70 A 6 CYS CB A 13 CYS CB 1.0 . 2.0 91 71 A 7 GLY H A 7 GLY HAy 1.0 . 2.0 92 72 A 7 GLY H A 7 GLY HAx 1.0 . 2.0 93 73 A 7 GLY HAy A 8 LEU H 1.0 . 2.0 94 74 A 7 GLY HAx A 8 LEU H 1.0 . 2.0 95 75 A 8 LEU H A 8 LEU HA 1.0 . 2.0 96 76 A 8 LEU H A 8 LEU HBx 1.0 . 2.0 97 76 A 8 LEU H A 8 LEU HBy 1.0 . 2.0 98 77 A 8 LEU H A 8 LEU HG 1.0 . 2.0 99 78 A 8 LEU HA A 8 LEU HBx 1.0 . 2.0 100 78 A 8 LEU HA A 8 LEU HBy 1.0 . 2.0 101 79 A 8 LEU HDx% A 8 LEU HA 1.0 . 2.0 102 80 A 8 LEU HA A 8 LEU HDy% 1.0 . 2.0 103 81 A 8 LEU H A 9 GLY H 1.0 . 2.0 104 82 A 8 LEU HA A 9 GLY H 1.0 . 2.0 105 83 A 9 GLY H A 8 LEU HBx 1.0 . 2.0 106 83 A 8 LEU HBy A 9 GLY H 1.0 . 2.0 107 84 A 9 GLY H A 9 GLY HAy 1.0 . 2.0 108 85 A 9 GLY H A 9 GLY HAx 1.0 . 2.0 109 86 A 9 GLY H A 10 CYS H 1.0 . 2.0 110 87 A 9 GLY HAy A 10 CYS H 1.0 . 2.0 111 88 A 9 GLY HAx A 10 CYS H 1.0 . 2.0 112 89 A 10 CYS HA A 10 CYS H 1.0 . 2.0 113 90 A 10 CYS HBy A 10 CYS H 1.0 . 2.0 114 91 A 10 CYS HBx A 10 CYS H 1.0 . 2.0 115 92 A 10 CYS HBx A 10 CYS HA 1.0 . 2.0 116 93 A 10 CYS HBy A 10 CYS HA 1.0 . 2.0 117 94 A 2 CYS CA A 10 CYS CA 1.0 . 2.0 118 95 A 2 CYS CB A 10 CYS CB 1.0 . 2.0 119 96 A 10 CYS HA A 11 HIS H 1.0 . 2.0 120 97 A 10 CYS HBy A 11 HIS H 1.0 . 2.0 121 98 A 10 CYS HBx A 11 HIS H 1.0 . 2.0 122 99 A 11 HIS H A 11 HIS HA 1.0 . 2.0 123 100 A 11 HIS HA A 11 HIS HBy 1.0 . 2.0 124 101 A 11 HIS HA A 11 HIS HBx 1.0 . 2.0 125 102 A 11 HIS HBy A 11 HIS HD2 1.0 . 2.0 126 103 A 11 HIS HBx A 11 HIS HD2 1.0 . 2.0 127 104 A 11 HIS HBx A 11 HIS HE1 1.0 . 2.0 128 105 A 12 HYP HBy A 13 CYS H 1.0 . 2.0 129 106 A 13 CYS H A 12 HYP HBx 1.0 . 2.0 130 107 A 13 CYS H A 12 HYP HA 1.0 . 2.0 131 108 A 13 CYS HA A 13 CYS H 1.0 . 2.0 132 109 A 13 CYS HBy A 13 CYS H 1.0 . 2.0 133 110 A 13 CYS HBx A 13 CYS H 1.0 . 2.0 134 111 A 13 CYS HA A 13 CYS HBy 1.0 . 2.0 135 112 A 13 CYS HA A 13 CYS HBx 1.0 . 2.0 136 113 A 6 CYS CA A 13 CYS CA 1.0 . 2.0 137 114 A 6 CYS CB A 13 CYS CB 1.0 . 2.0 138 115 A 14 CYS H A 13 CYS HA 1.0 . 2.0 139 116 A 14 CYS H A 13 CYS HBy 1.0 . 2.0 140 117 A 14 CYS H A 14 CYS HA 1.0 . 2.0 141 118 A 14 CYS H A 14 CYS HBx 1.0 . 2.0 142 119 A 14 CYS H A 14 CYS HBy 1.0 . 2.0 143 120 A 14 CYS HA A 14 CYS HBx 1.0 . 2.0 144 121 A 14 CYS HA A 14 CYS HBy 1.0 . 2.0 145 122 A 1 CYS CA A 14 CYS CA 1.0 . 2.0 146 123 A 1 CYS CB A 14 CYS CB 1.0 . 2.0 147 124 A 7 GLY HAy A 11 HIS HE1 1.0 . 2.0 148 125 A 7 GLY HAx A 11 HIS HE1 1.0 . 2.0 149 126 A 8 LEU HA A 11 HIS HE1 1.0 . 2.0 150 127 A 2 CYS HA A 4 LEU H 1.0 . 2.0 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 CYS N 1.0 90.0 150.0 PSI 2 2 A 1 CYS N A 1 CYS CA A 1 CYS CB A 1 CYS SG 1.0 60.0 90.0 CHI1 3 3 A 1 CYS C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -150.0 -90.0 PHI 4 4 A 2 CYS N A 2 CYS CA A 2 CYS C A 3 ARG N 1.0 90.0 150.0 PSI 5 5 A 2 CYS N A 2 CYS CA A 2 CYS CB A 2 CYS SG 1.0 -120.0 -30.0 CHI1 6 6 A 2 CYS C A 3 ARG N A 3 ARG CA A 3 ARG C 1.0 -90.0 -30.0 PHI 7 7 A 3 ARG N A 3 ARG CA A 3 ARG C A 4 LEU N 1.0 -60.0 0.0 PSI 8 8 A 3 ARG N A 3 ARG CA A 3 ARG CB A 3 ARG CG 1.0 -90.0 -30.0 CHI1 9 9 A 3 ARG C A 4 LEU N A 4 LEU CA A 4 LEU C 1.0 -90.0 -30.0 PHI 10 10 A 4 LEU N A 4 LEU CA A 4 LEU C A 5 ALA N 1.0 -75.0 -15.0 PSI 11 11 A 4 LEU N A 4 LEU CA A 4 LEU CB A 4 LEU CG 1.0 -90.0 -30.0 CHI1 12 12 A 4 LEU C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -90.0 -30.0 PHI 13 13 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 CYS N 1.0 -75.0 0.0 PSI 14 14 A 5 ALA C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -90.0 -30.0 PHI 15 15 A 6 CYS N A 6 CYS CA A 6 CYS C A 7 GLY N 1.0 -75.0 -15.0 PSI 16 16 A 6 CYS N A 6 CYS CA A 6 CYS CB A 6 CYS SG 1.0 0.0 90.0 CHI1 17 17 A 6 CYS C A 7 GLY N A 7 GLY CA A 7 GLY C 1.0 -90.0 -30.0 PHI 18 18 A 7 GLY N A 7 GLY CA A 7 GLY C A 8 LEU N 1.0 -60.0 0.0 PSI 19 19 A 7 GLY C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -90.0 -30.0 PHI 20 20 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 GLY N 1.0 60.0 150.0 PSI 21 21 A 8 LEU N A 8 LEU CA A 8 LEU CB A 8 LEU CG 1.0 -90.0 -30.0 CHI1 22 22 A 8 LEU C A 9 GLY N A 9 GLY CA A 9 GLY C 1.0 50.0 120.0 PHI 23 23 A 9 GLY N A 9 GLY CA A 9 GLY C A 10 CYS N 1.0 -30.0 30.0 PSI 24 24 A 9 GLY C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -150.0 -90.0 PHI 25 25 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 HIS N 1.0 90.0 150.0 PSI 26 26 A 10 CYS N A 10 CYS CA A 10 CYS CB A 10 CYS SG 1.0 -190.0 -170.0 CHI1 27 27 A 10 CYS C A 11 HIS N A 11 HIS CA A 11 HIS C 1.0 -160.0 -80.0 PHI 28 28 A 11 HIS N A 11 HIS CA A 11 HIS C A 12 HYP N 1.0 80.0 160.0 PSI 29 29 A 11 HIS N A 11 HIS CA A 11 HIS CB A 11 HIS CG 1.0 30.0 90.0 CHI1 30 30 A 12 HYP C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -150.0 -90.0 PHI 31 31 A 13 CYS N A 13 CYS CA A 13 CYS C A 14 CYS N 1.0 90.0 150.0 PSI 32 32 A 13 CYS N A 13 CYS CA A 13 CYS CB A 13 CYS SG 1.0 -120.0 -30.0 CHI1 stop_ save_