data_nef_c19469_2md2 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 19470 BMRB 19471 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 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 H1 H 1 8.176 0.001 A 1 TRP HA H 1 4.549 0.000 A 1 TRP HBx H 1 3.250 0.004 A 1 TRP HBy H 1 3.250 0.004 A 2 LYS H H 1 7.997 0.002 A 2 LYS HA H 1 4.089 0.005 A 2 LYS HBx H 1 1.998 0.004 A 2 LYS HBy H 1 1.998 0.004 A 2 LYS HDx H 1 1.649 0.002 A 2 LYS HDy H 1 1.649 0.002 A 3 LEU H H 1 7.912 0.003 A 3 LEU HA H 1 4.213 0.001 A 3 LEU HBx H 1 1.555 1.102 A 3 LEU HBy H 1 1.555 1.102 A 3 LEU HDx% H 1 0.915 0.004 A 3 LEU HDy% H 1 0.915 0.004 A 4 LEU H H 1 8.126 0.003 A 4 LEU HA H 1 4.348 0.002 A 4 LEU HBx H 1 1.587 0.000 A 4 LEU HBy H 1 1.587 0.000 A 4 LEU HDx% H 1 0.866 0.000 A 4 LEU HDy% H 1 0.866 0.000 A 5 SER H H 1 8.197 0.001 A 5 SER HA H 1 4.403 0.003 A 5 SER HBx H 1 3.857 0.003 A 5 SER HBy H 1 3.857 0.003 A 6 LYS H H 1 8.317 0.000 A 6 LYS HA H 1 4.286 0.005 A 6 LYS HBx H 1 1.772 0.003 A 6 LYS HBy H 1 1.772 0.003 A 6 LYS HDx H 1 1.714 0.000 A 6 LYS HDy H 1 1.714 0.000 A 6 LYS HGx H 1 1.408 0.002 A 6 LYS HGy H 1 1.408 0.002 A 7 ALA H H 1 8.270 0.001 A 7 ALA HA H 1 4.321 0.002 A 7 ALA HB% H 1 1.388 0.005 A 8 GLN H H 1 8.299 0.000 A 8 GLN HA H 1 4.280 0.002 A 8 GLN HBx H 1 2.004 0.000 A 8 GLN HBy H 1 2.004 0.000 A 9 GLU H H 1 8.362 0.000 A 9 GLU HA H 1 4.313 0.000 A 9 GLU HBx H 1 2.063 0.000 A 9 GLU HBy H 1 2.063 0.000 A 9 GLU HGx H 1 2.318 0.000 A 9 GLU HGy H 1 2.318 0.000 A 10 LYS H H 1 8.364 0.000 A 10 LYS HA H 1 4.092 0.000 A 10 LYS HBx H 1 2.063 0.000 A 10 LYS HBy H 1 2.063 0.000 A 10 LYS HDx H 1 1.640 0.000 A 10 LYS HDy H 1 1.640 0.000 A 10 LYS HGx H 1 1.496 0.000 A 10 LYS HGy H 1 1.496 0.000 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 . 3.3 2 2 A 1 TRP H1 A 1 TRP HBx 1.0 . 3.5 3 2 A 1 TRP HBy A 1 TRP H1 1.0 . 3.5 4 3 A 2 LYS H A 1 TRP HBx 1.0 . 3.3 5 3 A 2 LYS H A 1 TRP HBy 1.0 . 3.3 6 4 A 1 TRP HA A 3 LEU H 1.0 . 4.4 7 5 A 1 TRP HA A 4 LEU H 1.0 . 4.0 8 6 A 1 TRP HA A 5 SER H 1.0 . 4.4 9 7 A 3 LEU H A 1 TRP HBx 1.0 . 4.1 10 7 A 1 TRP HBy A 3 LEU H 1.0 . 4.1 11 8 A 4 LEU H A 1 TRP HBx 1.0 . 4.6 12 8 A 1 TRP HBy A 4 LEU H 1.0 . 4.6 13 9 A 5 SER H A 1 TRP HBx 1.0 . 4.9 14 9 A 1 TRP HBy A 5 SER H 1.0 . 4.9 15 10 A 2 LYS H A 2 LYS HBx 1.0 . 3.8 16 10 A 2 LYS H A 2 LYS HBy 1.0 . 3.8 17 11 A 2 LYS H A 2 LYS HDx 1.0 . 3.8 18 11 A 2 LYS H A 2 LYS HDy 1.0 . 3.8 19 12 A 2 LYS H A 2 LYS HGx 1.0 . 3.8 20 12 A 2 LYS H A 2 LYS HGy 1.0 . 3.8 21 13 A 3 LEU H A 2 LYS HA 1.0 . 4.4 22 14 A 4 LEU H A 2 LYS HA 1.0 . 3.6 23 15 A 5 SER H A 2 LYS HA 1.0 . 4.2 24 16 A 3 LEU H A 2 LYS HBx 1.0 . 4.1 25 16 A 3 LEU H A 2 LYS HBy 1.0 . 4.1 26 17 A 4 LEU H A 2 LYS HBx 1.0 . 4.2 27 17 A 4 LEU H A 2 LYS HBy 1.0 . 4.2 28 18 A 5 SER H A 2 LYS HBx 1.0 . 4.7 29 18 A 5 SER H A 2 LYS HBy 1.0 . 4.7 30 19 A 6 LYS H A 2 LYS HBx 1.0 . 4.4 31 19 A 2 LYS HBy A 6 LYS H 1.0 . 4.4 32 20 A 3 LEU H A 2 LYS HDx 1.0 . 4.4 33 20 A 3 LEU H A 2 LYS HDy 1.0 . 4.4 34 21 A 5 SER H A 2 LYS HDx 1.0 . 4.6 35 21 A 5 SER H A 2 LYS HDy 1.0 . 4.6 36 22 A 3 LEU H A 2 LYS HGx 1.0 . 4.6 37 22 A 3 LEU H A 2 LYS HGy 1.0 . 4.6 38 23 A 4 LEU H A 3 LEU HA 1.0 . 3.3 39 24 A 5 SER H A 3 LEU HA 1.0 . 4.4 40 25 A 6 LYS H A 3 LEU HA 1.0 . 3.6 41 26 A 3 LEU H A 3 LEU HBx 1.0 . 3.8 42 26 A 3 LEU H A 3 LEU HBy 1.0 . 3.8 43 27 A 5 SER H A 3 LEU HBx 1.0 . 4.7 44 27 A 5 SER H A 3 LEU HBy 1.0 . 4.7 45 28 A 3 LEU H A 3 LEU HDx% 1.0 . 3.8 46 28 A 3 LEU H A 3 LEU HDy% 1.0 . 3.8 47 29 A 4 LEU H A 3 LEU HDx% 1.0 . 4.2 48 29 A 4 LEU H A 3 LEU HDy% 1.0 . 4.2 49 30 A 5 SER H A 3 LEU HDx% 1.0 . 4.5 50 30 A 5 SER H A 3 LEU HDy% 1.0 . 4.5 51 31 A 6 LYS H A 3 LEU HDx% 1.0 . 4.4 52 31 A 6 LYS H A 3 LEU HDy% 1.0 . 4.4 53 32 A 5 SER H A 4 LEU HA 1.0 . 3.3 54 33 A 6 LYS H A 4 LEU HA 1.0 . 4.2 55 34 A 4 LEU H A 4 LEU HBx 1.0 . 3.8 56 34 A 4 LEU H A 4 LEU HBy 1.0 . 3.8 57 35 A 4 LEU H A 4 LEU HG 1.0 . 4.4 58 36 A 4 LEU H A 4 LEU HDx% 1.0 . 3.8 59 36 A 4 LEU H A 4 LEU HDy% 1.0 . 3.8 60 37 A 5 SER H A 4 LEU HDx% 1.0 . 4.0 61 37 A 5 SER H A 4 LEU HDy% 1.0 . 4.0 62 38 A 6 LYS H A 4 LEU HDx% 1.0 . 4.4 63 38 A 6 LYS H A 4 LEU HDy% 1.0 . 4.4 64 39 A 7 ALA H A 4 LEU HDx% 1.0 . 4.4 65 39 A 4 LEU HDy% A 7 ALA H 1.0 . 4.4 66 40 A 6 LYS H A 5 SER HA 1.0 . 3.3 67 41 A 7 ALA H A 5 SER HA 1.0 . 4.4 68 42 A 5 SER HA A 8 GLN H 1.0 . 3.4 69 43 A 5 SER H A 5 SER HBx 1.0 . 3.3 70 43 A 5 SER H A 5 SER HBy 1.0 . 3.3 71 44 A 6 LYS H A 5 SER HBx 1.0 . 3.8 72 44 A 6 LYS H A 5 SER HBy 1.0 . 3.8 73 45 A 7 ALA H A 5 SER HBx 1.0 . 4.4 74 45 A 7 ALA H A 5 SER HBy 1.0 . 4.4 75 46 A 7 ALA H A 6 LYS HA 1.0 . 3.3 76 47 A 6 LYS H A 6 LYS HBx 1.0 . 3.8 77 47 A 6 LYS H A 6 LYS HBy 1.0 . 3.8 78 48 A 6 LYS H A 6 LYS HDx 1.0 . 3.8 79 48 A 6 LYS H A 6 LYS HDy 1.0 . 3.8 80 49 A 6 LYS H A 6 LYS HGx 1.0 . 4.0 81 49 A 6 LYS H A 6 LYS HGy 1.0 . 4.0 82 50 A 6 LYS H A 6 LYS HEx 1.0 . 4.8 83 50 A 6 LYS H A 6 LYS HEy 1.0 . 4.8 84 51 A 7 ALA H A 6 LYS HBx 1.0 . 4.6 85 51 A 7 ALA H A 6 LYS HBy 1.0 . 4.6 86 52 A 7 ALA H A 6 LYS HGx 1.0 . 4.8 87 52 A 7 ALA H A 6 LYS HGy 1.0 . 4.8 88 53 A 8 GLN H A 6 LYS HBx 1.0 . 4.6 89 53 A 8 GLN H A 6 LYS HBy 1.0 . 4.6 90 54 A 6 LYS HA A 9 GLU H 1.0 . 3.4 91 55 A 9 GLU H A 6 LYS HGx 1.0 . 4.2 92 55 A 6 LYS HGy A 9 GLU H 1.0 . 4.2 93 56 A 9 GLU H A 6 LYS HBx 1.0 . 4.4 94 56 A 6 LYS HBy A 9 GLU H 1.0 . 4.4 95 57 A 8 GLN H A 7 ALA HA 1.0 . 3.3 96 58 A 9 GLU H A 7 ALA HA 1.0 . 4.4 97 59 A 7 ALA H A 7 ALA HB% 1.0 . 3.3 98 60 A 8 GLN H A 7 ALA HB% 1.0 . 4.4 99 61 A 9 GLU H A 8 GLN HA 1.0 . 3.3 100 62 A 8 GLN H A 8 GLN HBx 1.0 . 3.3 101 62 A 8 GLN H A 8 GLN HBy 1.0 . 3.3 102 63 A 9 GLU H A 8 GLN HBx 1.0 . 3.8 103 63 A 9 GLU H A 8 GLN HBy 1.0 . 3.8 104 64 A 8 GLN H A 8 GLN HGx 1.0 . 3.8 105 64 A 8 GLN H A 8 GLN HGy 1.0 . 3.8 106 65 A 9 GLU H A 8 GLN HGx 1.0 . 4.0 107 65 A 9 GLU H A 8 GLN HGy 1.0 . 4.0 108 66 A 9 GLU HA A 10 LYS H 1.0 . 3.8 109 67 A 9 GLU H A 9 GLU HBx 1.0 . 3.8 110 67 A 9 GLU H A 9 GLU HBy 1.0 . 3.8 111 68 A 9 GLU H A 9 GLU HGx 1.0 . 4.1 112 68 A 9 GLU H A 9 GLU HGy 1.0 . 4.1 113 69 A 10 LYS H A 10 LYS HBx 1.0 . 4.0 114 69 A 10 LYS H A 10 LYS HBy 1.0 . 4.0 115 70 A 10 LYS H A 10 LYS HDx 1.0 . 4.0 116 70 A 10 LYS H A 10 LYS HDy 1.0 . 4.0 117 71 A 10 LYS H A 10 LYS HGx 1.0 . 4.0 118 71 A 10 LYS H A 10 LYS HGy 1.0 . 4.0 119 72 A 1 TRP HE3 A 1 TRP HBx 1.0 . 4.0 120 72 A 1 TRP HBy A 1 TRP HE3 1.0 . 4.0 121 73 A 1 TRP HA A 1 TRP HD1 1.0 . 4.2 122 74 A 1 TRP HD1 A 1 TRP HBx 1.0 . 4.0 123 74 A 1 TRP HBy A 1 TRP HD1 1.0 . 4.0 124 75 A 1 TRP HZ2 A 1 TRP HE1 1.0 . 4.0 125 76 A 1 TRP HD1 A 1 TRP HE1 1.0 . 4.0 126 77 A 1 TRP HA A 1 TRP HE1 1.0 . 4.9 127 78 A 1 TRP HE1 A 1 TRP HBx 1.0 . 4.4 128 78 A 1 TRP HBy A 1 TRP HE1 1.0 . 4.4 129 79 A 2 LYS H A 1 TRP HD1 1.0 . 3.2 130 80 A 2 LYS H A 1 TRP H1 1.0 . 3.8 131 81 A 2 LYS H A 3 LEU H 1.0 . 2.8 132 82 A 3 LEU H A 4 LEU H 1.0 . 3.8 133 83 A 4 LEU H A 5 SER H 1.0 . 2.8 134 84 A 5 SER H A 6 LYS H 1.0 . 2.8 135 85 A 6 LYS H A 7 ALA H 1.0 . 2.8 136 86 A 7 ALA H A 8 GLN H 1.0 . 2.8 137 87 A 8 GLN H A 9 GLU H 1.0 . 2.8 138 88 A 9 GLU H A 10 LYS H 1.0 . 2.8 139 89 A 1 TRP HE1 A 3 LEU HBx 1.0 . 4.0 140 89 A 3 LEU HBy A 1 TRP HE1 1.0 . 4.0 141 90 A 1 TRP HE3 A 3 LEU HDx% 1.0 . 3.8 142 90 A 3 LEU HDy% A 1 TRP HE3 1.0 . 3.8 143 91 A 1 TRP HE3 A 3 LEU HBx 1.0 . 3.8 144 91 A 3 LEU HBy A 1 TRP HE3 1.0 . 3.8 145 92 A 1 TRP HZ3 A 3 LEU HBx 1.0 . 4.0 146 92 A 3 LEU HBy A 1 TRP HZ3 1.0 . 4.0 147 93 A 1 TRP HZ3 A 3 LEU HBx 1.0 . 4.0 148 93 A 3 LEU HBy A 1 TRP HZ3 1.0 . 4.0 149 94 A 1 TRP HZ3 A 3 LEU HDx% 1.0 . 4.0 150 94 A 3 LEU HDy% A 1 TRP HZ3 1.0 . 4.0 151 95 A 1 TRP HH2 A 3 LEU HBx 1.0 . 3.8 152 95 A 3 LEU HBy A 1 TRP HH2 1.0 . 3.8 153 96 A 1 TRP HH2 A 3 LEU HDx% 1.0 . 3.8 154 96 A 3 LEU HDy% A 1 TRP HH2 1.0 . 3.8 155 97 A 1 TRP HD1 A 3 LEU HBx 1.0 . 4.5 156 97 A 3 LEU HBy A 1 TRP HD1 1.0 . 4.5 157 98 A 1 TRP HD1 A 3 LEU HDx% 1.0 . 4.0 158 98 A 3 LEU HDy% A 1 TRP HD1 1.0 . 4.0 159 99 A 1 TRP HD1 A 2 LYS HBx 1.0 . 3.8 160 99 A 2 LYS HBy A 1 TRP HD1 1.0 . 3.8 161 100 A 1 TRP HZ2 A 3 LEU HDx% 1.0 . 3.8 162 100 A 3 LEU HDy% A 1 TRP HZ2 1.0 . 3.8 163 101 A 1 TRP HZ2 A 3 LEU HBx 1.0 . 4.0 164 101 A 3 LEU HBy A 1 TRP HZ2 1.0 . 4.0 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 TRP C A 2 LYS N A 2 LYS CA A 2 LYS C 1.0 -120.0 -30.0 PHI 2 2 A 2 LYS N A 2 LYS CA A 2 LYS C A 3 LEU N 1.0 -120.0 120.0 PSI 3 3 A 2 LYS C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -120.0 -30.0 PHI 4 4 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 LEU N 1.0 -120.0 120.0 PSI 5 5 A 3 LEU C A 4 LEU N A 4 LEU CA A 4 LEU C 1.0 -120.0 -30.0 PHI 6 6 A 4 LEU N A 4 LEU CA A 4 LEU C A 5 SER N 1.0 -120.0 120.0 PSI 7 7 A 4 LEU C A 5 SER N A 5 SER CA A 5 SER C 1.0 -120.0 -30.0 PHI 8 8 A 5 SER N A 5 SER CA A 5 SER C A 6 LYS N 1.0 -120.0 120.0 PSI 9 9 A 5 SER C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -120.0 -30.0 PHI 10 10 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 ALA N 1.0 -120.0 120.0 PSI 11 11 A 6 LYS C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -120.0 -30.0 PHI 12 12 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 GLN N 1.0 -120.0 120.0 PSI 13 13 A 7 ALA C A 8 GLN N A 8 GLN CA A 8 GLN C 1.0 -120.0 -30.0 PHI 14 14 A 8 GLN N A 8 GLN CA A 8 GLN C A 9 GLU N 1.0 -120.0 120.0 PSI 15 15 A 8 GLN C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -120.0 -30.0 PHI 16 16 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 LYS N 1.0 -120.0 120.0 PSI stop_ save_