data_nef_c19471_2md4 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 19468 BMRB 19469 BMRB 19470 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 LYS middle . . 3 A 3 LEU middle . . 4 A 4 LEU middle . . 5 A 5 SER middle . . 6 A 6 LYS middle . . 7 A 7 ALA middle . . 8 A 8 GLN middle . . 9 A 9 GLU middle . . 10 A 10 LYS middle . . 11 A 11 PHE middle . . 12 A 12 GLY end . 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 TRP H1 H 1 8.143 0.035 A 1 TRP HA H 1 4.558 0.002 A 1 TRP HBx H 1 3.276 0.008 A 1 TRP HBy H 1 3.276 0.008 A 2 LYS H H 1 8.017 0.007 A 2 LYS HA H 1 4.100 0.011 A 2 LYS HBx H 1 1.525 0.005 A 2 LYS HBy H 1 1.525 0.005 A 2 LYS HDx H 1 1.164 0.002 A 2 LYS HDy H 1 1.164 0.002 A 3 LEU H H 1 7.929 0.007 A 3 LEU HA H 1 4.230 0.003 A 3 LEU HBx H 1 1.595 0.004 A 3 LEU HBy H 1 1.595 0.004 A 3 LEU HD1% H 1 0.897 0.919 A 3 LEU HD2% H 1 0.897 0.919 A 4 LEU H H 1 8.143 0.010 A 4 LEU HA H 1 4.376 0.003 A 4 LEU HBx H 1 1.613 0.002 A 4 LEU HBy H 1 1.613 0.002 A 4 LEU HD1% H 1 0.932 0.006 A 4 LEU HD2% H 1 0.932 0.006 A 5 SER H H 1 8.205 0.004 A 5 SER HA H 1 4.425 0.001 A 5 SER HBx H 1 3.878 0.002 A 5 SER HBy H 1 3.878 0.002 A 6 LYS H H 1 8.284 0.005 A 6 LYS HA H 1 4.276 0.001 A 6 LYS HBx H 1 1.824 0.004 A 6 LYS HBy H 1 1.824 0.004 A 6 LYS HDx H 1 1.686 0.003 A 6 LYS HDy H 1 1.686 0.003 A 6 LYS HGx H 1 1.410 0.002 A 6 LYS HGy H 1 1.410 0.002 A 7 ALA H H 1 8.275 0.003 A 7 ALA HA H 1 4.274 0.003 A 7 ALA HB% H 1 1.413 0.001 A 8 GLN H H 1 8.350 0.002 A 8 GLN HA H 1 4.276 0.004 A 8 GLN HBx H 1 2.126 0.003 A 8 GLN HBy H 1 2.126 0.003 A 9 GLU H H 1 8.362 0.004 A 9 GLU HA H 1 4.315 0.005 A 9 GLU HBx H 1 1.997 0.002 A 9 GLU HBy H 1 1.997 0.002 A 9 GLU HGx H 1 2.308 0.004 A 9 GLU HGy H 1 2.308 0.004 A 10 LYS H H 1 8.364 0.005 A 10 LYS HA H 1 4.256 0.003 A 10 LYS HBx H 1 1.889 0.003 A 10 LYS HBy H 1 1.889 0.003 A 10 LYS HDx H 1 1.689 0.001 A 10 LYS HDy H 1 1.689 0.001 A 10 LYS HGx H 1 1.414 0.002 A 10 LYS HGy H 1 1.414 0.002 A 11 PHE H H 1 8.363 0.001 A 11 PHE HA H 1 4.633 0.003 A 11 PHE HBy H 1 3.182 0.002 A 11 PHE HBx H 1 3.085 0.003 A 12 GLY HAx H 1 3.880 0.002 A 12 GLY HAy H 1 3.880 0.002 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 TRP HA A 2 LYS H 1.0 . 3.5 2 2 A 2 LYS H A 1 TRP HBx 1.0 . 3.3 3 2 A 2 LYS H A 1 TRP HBy 1.0 . 3.3 4 3 A 1 TRP H1 A 1 TRP HBx 1.0 . 3.5 5 3 A 1 TRP HBy A 1 TRP H1 1.0 . 3.5 6 4 A 3 LEU H A 1 TRP HBx 1.0 . 3.9 7 4 A 1 TRP HBy A 3 LEU H 1.0 . 3.9 8 5 A 4 LEU H A 1 TRP HBx 1.0 . 4.5 9 5 A 1 TRP HBy A 4 LEU H 1.0 . 4.5 10 6 A 1 TRP HA A 3 LEU H 1.0 . 4.4 11 7 A 1 TRP HA A 4 LEU H 1.0 . 4.2 12 8 A 1 TRP HA A 5 SER H 1.0 . 4.2 13 9 A 2 LYS H A 2 LYS HDx 1.0 . 4.0 14 9 A 2 LYS H A 2 LYS HDy 1.0 . 4.0 15 10 A 2 LYS H A 2 LYS HGx 1.0 . 3.8 16 10 A 2 LYS H A 2 LYS HGy 1.0 . 3.8 17 11 A 2 LYS HA A 6 LYS H 1.0 . 3.5 18 12 A 5 SER H A 2 LYS HA 1.0 . 3.3 19 13 A 3 LEU H A 2 LYS HA 1.0 . 3.3 20 14 A 3 LEU H A 2 LYS HDx 1.0 . 3.9 21 14 A 3 LEU H A 2 LYS HDy 1.0 . 3.9 22 15 A 3 LEU H A 2 LYS HGx 1.0 . 3.8 23 15 A 3 LEU H A 2 LYS HGy 1.0 . 3.8 24 16 A 4 LEU H A 2 LYS HA 1.0 . 4.4 25 17 A 4 LEU H A 2 LYS HDx 1.0 . 4.0 26 17 A 4 LEU H A 2 LYS HDy 1.0 . 4.0 27 18 A 4 LEU H A 2 LYS HGx 1.0 . 4.3 28 18 A 4 LEU H A 2 LYS HGy 1.0 . 4.3 29 19 A 6 LYS H A 2 LYS HGx 1.0 . 4.0 30 19 A 2 LYS HGy A 6 LYS H 1.0 . 4.0 31 20 A 5 SER H A 2 LYS HA 1.0 . 3.3 32 21 A 4 LEU H A 2 LYS HBx 1.0 . 4.5 33 21 A 4 LEU H A 2 LYS HBy 1.0 . 4.5 34 22 A 4 LEU H A 2 LYS HDx 1.0 . 4.2 35 22 A 4 LEU H A 2 LYS HDy 1.0 . 4.2 36 23 A 4 LEU H A 3 LEU HA 1.0 . 3.2 37 24 A 5 SER H A 3 LEU HA 1.0 . 4.4 38 25 A 3 LEU HA A 7 ALA H 1.0 . 3.8 39 26 A 3 LEU H A 3 LEU HBx 1.0 . 3.8 40 26 A 3 LEU H A 3 LEU HBy 1.0 . 3.8 41 27 A 3 LEU H A 3 LEU HD1% 1.0 . 4.0 42 27 A 3 LEU H A 3 LEU HD2% 1.0 . 4.0 43 28 A 6 LYS H A 3 LEU HD1% 1.0 . 4.2 44 28 A 6 LYS H A 3 LEU HD2% 1.0 . 4.2 45 29 A 4 LEU H A 3 LEU HD1% 1.0 . 4.2 46 29 A 4 LEU H A 3 LEU HD2% 1.0 . 4.2 47 30 A 7 ALA H A 3 LEU HD1% 1.0 . 4.2 48 30 A 7 ALA H A 3 LEU HD2% 1.0 . 4.2 49 31 A 5 SER H A 4 LEU HA 1.0 . 3.3 50 32 A 4 LEU H A 4 LEU HBx 1.0 . 3.3 51 32 A 4 LEU H A 4 LEU HBy 1.0 . 3.3 52 33 A 4 LEU H A 4 LEU HD1% 1.0 . 3.8 53 33 A 4 LEU H A 4 LEU HD2% 1.0 . 3.8 54 34 A 5 SER H A 4 LEU HBx 1.0 . 3.3 55 34 A 5 SER H A 4 LEU HBy 1.0 . 3.3 56 35 A 5 SER H A 4 LEU HD1% 1.0 . 4.0 57 35 A 5 SER H A 4 LEU HD2% 1.0 . 4.0 58 36 A 8 GLN H A 4 LEU HD1% 1.0 . 4.2 59 36 A 4 LEU HD2% A 8 GLN H 1.0 . 4.2 60 37 A 6 LYS H A 5 SER HA 1.0 . 3.3 61 38 A 7 ALA H A 5 SER HA 1.0 . 4.4 62 39 A 8 GLN H A 5 SER HA 1.0 . 3.3 63 40 A 5 SER HA A 9 GLU H 1.0 . 3.5 64 41 A 5 SER H A 5 SER HBx 1.0 . 3.3 65 41 A 5 SER H A 5 SER HBy 1.0 . 3.3 66 42 A 6 LYS H A 5 SER HBx 1.0 . 3.3 67 42 A 6 LYS H A 5 SER HBy 1.0 . 3.3 68 43 A 8 GLN H A 5 SER HBx 1.0 . 4.8 69 43 A 8 GLN H A 5 SER HBy 1.0 . 4.8 70 44 A 9 GLU H A 5 SER HBx 1.0 . 4.2 71 44 A 9 GLU H A 5 SER HBy 1.0 . 4.2 72 45 A 7 ALA H A 6 LYS HA 1.0 . 3.3 73 46 A 6 LYS H A 6 LYS HBx 1.0 . 3.3 74 46 A 6 LYS H A 6 LYS HBy 1.0 . 3.3 75 47 A 6 LYS H A 6 LYS HDx 1.0 . 3.8 76 47 A 6 LYS H A 6 LYS HDy 1.0 . 3.8 77 48 A 6 LYS H A 6 LYS HGx 1.0 . 4.0 78 48 A 6 LYS H A 6 LYS HGy 1.0 . 4.0 79 49 A 7 ALA H A 6 LYS HDx 1.0 . 4.0 80 49 A 7 ALA H A 6 LYS HDy 1.0 . 4.0 81 50 A 7 ALA H A 6 LYS HBx 1.0 . 3.5 82 50 A 7 ALA H A 6 LYS HBy 1.0 . 3.5 83 51 A 7 ALA H A 6 LYS HGx 1.0 . 3.6 84 51 A 7 ALA H A 6 LYS HGy 1.0 . 3.6 85 52 A 8 GLN H A 7 ALA HA 1.0 . 3.3 86 53 A 7 ALA H A 7 ALA HB% 1.0 . 3.3 87 54 A 8 GLN H A 7 ALA HB% 1.0 . 3.3 88 55 A 9 GLU H A 7 ALA HB% 1.0 . 4.4 89 56 A 9 GLU H A 8 GLN HA 1.0 . 3.3 90 57 A 8 GLN H A 8 GLN HBx 1.0 . 3.3 91 57 A 8 GLN H A 8 GLN HBy 1.0 . 3.3 92 58 A 9 GLU H A 8 GLN HBx 1.0 . 3.3 93 58 A 9 GLU H A 8 GLN HBy 1.0 . 3.3 94 59 A 8 GLN H A 8 GLN HGx 1.0 . 3.8 95 59 A 8 GLN H A 8 GLN HGy 1.0 . 3.8 96 60 A 9 GLU H A 8 GLN HGx 1.0 . 4.0 97 60 A 9 GLU H A 8 GLN HGy 1.0 . 4.0 98 61 A 8 GLN HA A 11 PHE HD% 1.0 . 4.2 99 62 A 8 GLN HA A 11 PHE HE% 1.0 . 4.2 100 63 A 11 PHE HD% A 8 GLN HGx 1.0 . 4.2 101 63 A 8 GLN HGy A 11 PHE HD% 1.0 . 4.2 102 64 A 9 GLU HA A 10 LYS H 1.0 . 3.4 103 65 A 9 GLU HA A 11 PHE H 1.0 . 4.4 104 66 A 9 GLU H A 9 GLU HBx 1.0 . 3.8 105 66 A 9 GLU H A 9 GLU HBy 1.0 . 3.8 106 67 A 9 GLU H A 9 GLU HGx 1.0 . 4.1 107 67 A 9 GLU H A 9 GLU HGy 1.0 . 4.1 108 68 A 10 LYS H A 9 GLU HBx 1.0 . 3.8 109 68 A 10 LYS H A 9 GLU HBy 1.0 . 3.8 110 69 A 10 LYS H A 9 GLU HGx 1.0 . 4.1 111 69 A 10 LYS H A 9 GLU HGy 1.0 . 4.1 112 70 A 11 PHE H A 9 GLU HBx 1.0 . 4.4 113 70 A 11 PHE H A 9 GLU HBy 1.0 . 4.4 114 71 A 10 LYS H A 10 LYS HBx 1.0 . 3.3 115 71 A 10 LYS H A 10 LYS HBy 1.0 . 3.3 116 72 A 10 LYS H A 10 LYS HGx 1.0 . 3.8 117 72 A 10 LYS H A 10 LYS HGy 1.0 . 3.8 118 73 A 10 LYS H A 10 LYS HDx 1.0 . 4.0 119 73 A 10 LYS H A 10 LYS HDy 1.0 . 4.0 120 74 A 11 PHE H A 10 LYS HDx 1.0 . 4.2 121 74 A 11 PHE H A 10 LYS HDy 1.0 . 4.2 122 75 A 11 PHE H A 10 LYS HGx 1.0 . 4.0 123 75 A 11 PHE H A 10 LYS HGy 1.0 . 4.0 124 76 A 11 PHE H A 10 LYS HA 1.0 . 3.0 125 77 A 11 PHE H A 11 PHE HBy 1.0 . 3.3 126 77 A 11 PHE H A 11 PHE HBx 1.0 . 3.3 127 78 A 11 PHE HA A 12 GLY H 1.0 . 3.5 128 79 A 12 GLY H A 11 PHE HBy 1.0 . 3.3 129 79 A 11 PHE HBx A 12 GLY H 1.0 . 3.3 130 80 A 2 LYS H A 3 LEU H 1.0 . 2.8 131 81 A 3 LEU H A 4 LEU H 1.0 . 2.8 132 82 A 4 LEU H A 5 SER H 1.0 . 2.8 133 83 A 5 SER H A 6 LYS H 1.0 . 2.8 134 84 A 6 LYS H A 7 ALA H 1.0 . 2.8 135 85 A 7 ALA H A 8 GLN H 1.0 . 2.8 136 86 A 8 GLN H A 9 GLU H 1.0 . 2.8 137 87 A 9 GLU H A 10 LYS H 1.0 . 2.8 138 88 A 10 LYS H A 11 PHE H 1.0 . 2.8 139 89 A 11 PHE H A 12 GLY H 1.0 . 2.8 140 90 A 1 TRP H1 A 3 LEU H 1.0 . 4.0 141 91 A 2 LYS H A 4 LEU H 1.0 . 4.0 142 92 A 3 LEU H A 5 SER H 1.0 . 4.0 143 93 A 1 TRP HE3 A 3 LEU HBx 1.0 . 4.4 144 93 A 3 LEU HBy A 1 TRP HE3 1.0 . 4.4 145 94 A 1 TRP HE3 A 3 LEU HD1% 1.0 . 4.4 146 94 A 3 LEU HD2% A 1 TRP HE3 1.0 . 4.4 147 95 A 1 TRP HE3 A 4 LEU HD1% 1.0 . 4.2 148 95 A 4 LEU HD2% A 1 TRP HE3 1.0 . 4.2 149 96 A 1 TRP HE1 A 3 LEU HBx 1.0 . 4.0 150 96 A 3 LEU HBy A 1 TRP HE1 1.0 . 4.0 151 97 A 1 TRP HE1 A 3 LEU HD1% 1.0 . 4.0 152 97 A 3 LEU HD2% A 1 TRP HE1 1.0 . 4.0 153 98 A 1 TRP HZ2 A 3 LEU HD1% 1.0 . 4.0 154 98 A 3 LEU HD2% A 1 TRP HZ2 1.0 . 4.0 155 99 A 1 TRP HZ2 A 4 LEU HD1% 1.0 . 4.0 156 99 A 4 LEU HD2% A 1 TRP HZ2 1.0 . 4.0 157 100 A 1 TRP HZ2 A 3 LEU HBx 1.0 . 4.0 158 100 A 3 LEU HBy A 1 TRP HZ2 1.0 . 4.0 159 101 A 1 TRP HD1 A 4 LEU HD1% 1.0 . 4.7 160 101 A 4 LEU HD2% A 1 TRP HD1 1.0 . 4.7 161 102 A 2 LYS HGy A 1 TRP HD1 1.0 . 4.4 162 103 A 1 TRP HD1 A 3 LEU HBx 1.0 . 3.8 163 103 A 3 LEU HBy A 1 TRP HD1 1.0 . 3.8 164 104 A 1 TRP HH2 A 3 LEU HD1% 1.0 . 4.2 165 104 A 3 LEU HD2% A 1 TRP HH2 1.0 . 4.2 166 105 A 1 TRP HH2 A 4 LEU HD1% 1.0 . 4.0 167 105 A 4 LEU HD2% A 1 TRP HH2 1.0 . 4.0 168 106 A 1 TRP HH2 A 3 LEU HBx 1.0 . 4.2 169 106 A 3 LEU HBy A 1 TRP HH2 1.0 . 4.2 170 107 A 1 TRP HZ3 A 3 LEU HD1% 1.0 . 4.2 171 107 A 3 LEU HD2% A 1 TRP HZ3 1.0 . 4.2 172 108 A 1 TRP HZ3 A 4 LEU HD1% 1.0 . 4.3 173 108 A 4 LEU HD2% A 1 TRP HZ3 1.0 . 4.3 174 109 A 1 TRP HZ3 A 3 LEU HBx 1.0 . 4.2 175 109 A 3 LEU HBy A 1 TRP HZ3 1.0 . 4.2 176 110 A 7 ALA HB% A 11 PHE HE% 1.0 . 3.8 177 111 A 7 ALA HB% A 11 PHE HD% 1.0 . 3.8 178 112 A 7 ALA HB% A 11 PHE HZ 1.0 . 3.8 179 113 A 11 PHE HE% A 10 LYS HGx 1.0 . 3.8 180 113 A 11 PHE HE% A 10 LYS HGy 1.0 . 3.8 181 114 A 11 PHE HD% A 10 LYS HGx 1.0 . 3.8 182 114 A 11 PHE HD% A 10 LYS HGy 1.0 . 3.8 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 TRP N A 1 TRP CA A 1 TRP C A 2 LYS N 1.0 -120.0 120.0 PSI 2 2 A 1 TRP C A 2 LYS N A 2 LYS CA A 2 LYS C 1.0 -120.0 -30.0 PHI 3 3 A 2 LYS N A 2 LYS CA A 2 LYS C A 3 LEU N 1.0 -120.0 120.0 PSI 4 4 A 2 LYS C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -120.0 -30.0 PHI 5 5 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 LEU N 1.0 -120.0 120.0 PSI 6 6 A 3 LEU C A 4 LEU N A 4 LEU CA A 4 LEU C 1.0 -120.0 -30.0 PHI 7 7 A 4 LEU N A 4 LEU CA A 4 LEU C A 5 SER N 1.0 -120.0 120.0 PSI 8 8 A 4 LEU C A 5 SER N A 5 SER CA A 5 SER C 1.0 -120.0 -30.0 PHI 9 9 A 5 SER N A 5 SER CA A 5 SER C A 6 LYS N 1.0 -120.0 120.0 PSI 10 10 A 5 SER C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -120.0 -30.0 PHI 11 11 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 ALA N 1.0 -120.0 120.0 PSI 12 12 A 6 LYS C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -120.0 -30.0 PHI 13 13 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 GLN N 1.0 -120.0 120.0 PSI 14 14 A 7 ALA C A 8 GLN N A 8 GLN CA A 8 GLN C 1.0 -120.0 -30.0 PHI 15 15 A 8 GLN N A 8 GLN CA A 8 GLN C A 9 GLU N 1.0 -120.0 120.0 PSI 16 16 A 8 GLN C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -120.0 -30.0 PHI 17 17 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 LYS N 1.0 -120.0 120.0 PSI 18 18 A 9 GLU C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -120.0 -30.0 PHI 19 19 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 PHE N 1.0 -120.0 120.0 PSI 20 20 A 10 LYS C A 11 PHE N A 11 PHE CA A 11 PHE C 1.0 -120.0 -30.0 PHI 21 21 A 11 PHE N A 11 PHE CA A 11 PHE C A 12 GLY N 1.0 -120.0 120.0 PSI 22 22 A 11 PHE C A 12 GLY N A 12 GLY CA A 12 GLY C 1.0 -120.0 -30.0 PHI stop_ save_