data_nef_8qe7

save_nef_nmr_meta_data
# 
_Entry.Sf_category                  entry_information 
_Entry.Sf_framecode                 nef_nmr_meta_data 
_Entry.NMR_STAR_version             3.2.6.0 
_Entry.Source_data_format           nmr_exchange_format 
_Entry.Source_data_format_version   1.1 
_Entry.Generated_software_name      CYANA 
_Entry.Generated_software_version   3.98.16 
_Entry.Generated_date               2023-08-30T18:47:09 
_Entry.UUID                         CYANA-2023-08-30T18:47:09-4263961459 
# 
loop_
_Audit.Revision_ID 
_Audit.Creation_date 
_Audit.Update_record 
_Audit.Creation_method 
_Audit.Entry_ID 
1 2024-09-11 'Initial release' . 8QE7 
stop_
save_
save_nef_molecular_system
# 
_Assembly.Sf_category    assembly 
_Assembly.Sf_framecode   nef_molecular_system 
_Assembly.ID             1 
# 
loop_
_Chem_comp_assembly.Entity_assembly_ID 
_Chem_comp_assembly.Comp_index_ID 
_Chem_comp_assembly.Comp_ID 
_Chem_comp_assembly.Auth_asym_ID 
_Chem_comp_assembly.Auth_seq_ID 
_Chem_comp_assembly.Auth_comp_ID 
_Chem_comp_assembly.Auth_variant_ID 
_Chem_comp_assembly.Sequence_linking 
_Chem_comp_assembly.Cis_residue 
_Chem_comp_assembly.NEF_index 
_Chem_comp_assembly.Assembly_ID 
1 1   MET A 1   MET . start  .     1   1 
1 2   THR A 2   THR . middle .     2   1 
1 3   GLU A 3   GLU . middle .     3   1 
1 4   TYR A 4   TYR . middle .     4   1 
1 5   LYS A 5   LYS . middle .     5   1 
1 6   LEU A 6   LEU . middle .     6   1 
1 7   VAL A 7   VAL . middle .     7   1 
1 8   VAL A 8   VAL . middle .     8   1 
1 9   VAL A 9   VAL . middle .     9   1 
1 10  GLY A 10  GLY . middle false 10  1 
1 11  ALA A 11  ALA . middle .     11  1 
1 12  VAL A 12  VAL . middle .     12  1 
1 13  GLY A 13  GLY . middle false 13  1 
1 14  VAL A 14  VAL . middle .     14  1 
1 15  GLY A 15  GLY . middle false 15  1 
1 16  LYS A 16  LYS . middle .     16  1 
1 17  SER A 17  SER . middle .     17  1 
1 18  ALA A 18  ALA . middle .     18  1 
1 19  LEU A 19  LEU . middle .     19  1 
1 20  THR A 20  THR . middle .     20  1 
1 21  ILE A 21  ILE . middle .     21  1 
1 22  GLN A 22  GLN . middle .     22  1 
1 23  LEU A 23  LEU . middle .     23  1 
1 24  ILE A 24  ILE . middle .     24  1 
1 25  GLN A 25  GLN . middle .     25  1 
1 26  ASN A 26  ASN . middle .     26  1 
1 27  HIS A 27  HIS . middle .     27  1 
1 28  PHE A 28  PHE . middle .     28  1 
1 29  VAL A 29  VAL . middle .     29  1 
1 30  ASP A 30  ASP . middle .     30  1 
1 31  GLU A 31  GLU . middle .     31  1 
1 32  TYR A 32  TYR . middle .     32  1 
1 33  ASP A 33  ASP . middle .     33  1 
1 34  PRO A 34  PRO . middle false 34  1 
1 35  THR A 35  THR . middle .     35  1 
1 36  ILE A 36  ILE . middle .     36  1 
1 37  GLU A 37  GLU . middle .     37  1 
1 38  ASP A 38  ASP . middle .     38  1 
1 39  SER A 39  SER . middle .     39  1 
1 40  TYR A 40  TYR . middle .     40  1 
1 41  ARG A 41  ARG . middle .     41  1 
1 42  LYS A 42  LYS . middle .     42  1 
1 43  GLN A 43  GLN . middle .     43  1 
1 44  VAL A 44  VAL . middle .     44  1 
1 45  VAL A 45  VAL . middle .     45  1 
1 46  ILE A 46  ILE . middle .     46  1 
1 47  ASP A 47  ASP . middle .     47  1 
1 48  GLY A 48  GLY . middle false 48  1 
1 49  GLU A 49  GLU . middle .     49  1 
1 50  THR A 50  THR . middle .     50  1 
1 51  CYS A 51  CYS . middle .     51  1 
1 52  LEU A 52  LEU . middle .     52  1 
1 53  LEU A 53  LEU . middle .     53  1 
1 54  ASP A 54  ASP . middle .     54  1 
1 55  ILE A 55  ILE . middle .     55  1 
1 56  LEU A 56  LEU . middle .     56  1 
1 57  ASP A 57  ASP . middle .     57  1 
1 58  THR A 58  THR . middle .     58  1 
1 59  ALA A 59  ALA . middle .     59  1 
1 60  GLY A 60  GLY . middle false 60  1 
1 61  GLN A 61  GLN . middle .     61  1 
1 62  GLU A 62  GLU . middle .     62  1 
1 63  GLU A 63  GLU . middle .     63  1 
1 64  TYR A 64  TYR . middle .     64  1 
1 65  SER A 65  SER . middle .     65  1 
1 66  ALA A 66  ALA . middle .     66  1 
1 67  MET A 67  MET . middle .     67  1 
1 68  ARG A 68  ARG . middle .     68  1 
1 69  ASP A 69  ASP . middle .     69  1 
1 70  GLN A 70  GLN . middle .     70  1 
1 71  TYR A 71  TYR . middle .     71  1 
1 72  MET A 72  MET . middle .     72  1 
1 73  ARG A 73  ARG . middle .     73  1 
1 74  THR A 74  THR . middle .     74  1 
1 75  GLY A 75  GLY . middle false 75  1 
1 76  GLU A 76  GLU . middle .     76  1 
1 77  GLY A 77  GLY . middle false 77  1 
1 78  PHE A 78  PHE . middle .     78  1 
1 79  LEU A 79  LEU . middle .     79  1 
1 80  CYS A 80  CYS . middle .     80  1 
1 81  VAL A 81  VAL . middle .     81  1 
1 82  PHE A 82  PHE . middle .     82  1 
1 83  ALA A 83  ALA . middle .     83  1 
1 84  ILE A 84  ILE . middle .     84  1 
1 85  ASN A 85  ASN . middle .     85  1 
1 86  ASN A 86  ASN . middle .     86  1 
1 87  THR A 87  THR . middle .     87  1 
1 88  LYS A 88  LYS . middle .     88  1 
1 89  SER A 89  SER . middle .     89  1 
1 90  PHE A 90  PHE . middle .     90  1 
1 91  GLU A 91  GLU . middle .     91  1 
1 92  ASP A 92  ASP . middle .     92  1 
1 93  ILE A 93  ILE . middle .     93  1 
1 94  HIS A 94  HIS . middle .     94  1 
1 95  HIS A 95  HIS . middle .     95  1 
1 96  TYR A 96  TYR . middle .     96  1 
1 97  ARG A 97  ARG . middle .     97  1 
1 98  GLU A 98  GLU . middle .     98  1 
1 99  GLN A 99  GLN . middle .     99  1 
1 100 ILE A 100 ILE . middle .     100 1 
1 101 LYS A 101 LYS . middle .     101 1 
1 102 ARG A 102 ARG . middle .     102 1 
1 103 VAL A 103 VAL . middle .     103 1 
1 104 LYS A 104 LYS . middle .     104 1 
1 105 ASP A 105 ASP . middle .     105 1 
1 106 SER A 106 SER . middle .     106 1 
1 107 GLU A 107 GLU . middle .     107 1 
1 108 ASP A 108 ASP . middle .     108 1 
1 109 VAL A 109 VAL . middle .     109 1 
1 110 PRO A 110 PRO . middle false 110 1 
1 111 MET A 111 MET . middle .     111 1 
1 112 VAL A 112 VAL . middle .     112 1 
1 113 LEU A 113 LEU . middle .     113 1 
1 114 VAL A 114 VAL . middle .     114 1 
1 115 GLY A 115 GLY . middle false 115 1 
1 116 ASN A 116 ASN . middle .     116 1 
1 117 LYS A 117 LYS . middle .     117 1 
1 118 SER A 118 SER . middle .     118 1 
1 119 ASP A 119 ASP . middle .     119 1 
1 120 LEU A 120 LEU . middle .     120 1 
1 121 PRO A 121 PRO . middle false 121 1 
1 122 SER A 122 SER . middle .     122 1 
1 123 ARG A 123 ARG . middle .     123 1 
1 124 THR A 124 THR . middle .     124 1 
1 125 VAL A 125 VAL . middle .     125 1 
1 126 ASP A 126 ASP . middle .     126 1 
1 127 THR A 127 THR . middle .     127 1 
1 128 LYS A 128 LYS . middle .     128 1 
1 129 GLN A 129 GLN . middle .     129 1 
1 130 ALA A 130 ALA . middle .     130 1 
1 131 GLN A 131 GLN . middle .     131 1 
1 132 ASP A 132 ASP . middle .     132 1 
1 133 LEU A 133 LEU . middle .     133 1 
1 134 ALA A 134 ALA . middle .     134 1 
1 135 ARG A 135 ARG . middle .     135 1 
1 136 SER A 136 SER . middle .     136 1 
1 137 TYR A 137 TYR . middle .     137 1 
1 138 GLY A 138 GLY . middle false 138 1 
1 139 ILE A 139 ILE . middle .     139 1 
1 140 PRO A 140 PRO . middle false 140 1 
1 141 PHE A 141 PHE . middle .     141 1 
1 142 ILE A 142 ILE . middle .     142 1 
1 143 GLU A 143 GLU . middle .     143 1 
1 144 THR A 144 THR . middle .     144 1 
1 145 SER A 145 SER . middle .     145 1 
1 146 ALA A 146 ALA . middle .     146 1 
1 147 LYS A 147 LYS . middle .     147 1 
1 148 THR A 148 THR . middle .     148 1 
1 149 ARG A 149 ARG . middle .     149 1 
1 150 GLN A 150 GLN . middle .     150 1 
1 151 GLY A 151 GLY . middle false 151 1 
1 152 VAL A 152 VAL . middle .     152 1 
1 153 ASP A 153 ASP . middle .     153 1 
1 154 ASP A 154 ASP . middle .     154 1 
1 155 ALA A 155 ALA . middle .     155 1 
1 156 PHE A 156 PHE . middle .     156 1 
1 157 TYR A 157 TYR . middle .     157 1 
1 158 THR A 158 THR . middle .     158 1 
1 159 LEU A 159 LEU . middle .     159 1 
1 160 VAL A 160 VAL . middle .     160 1 
1 161 ARG A 161 ARG . middle .     161 1 
1 162 GLU A 162 GLU . middle .     162 1 
1 163 ILE A 163 ILE . middle .     163 1 
1 164 ARG A 164 ARG . middle .     164 1 
1 165 LYS A 165 LYS . middle .     165 1 
1 166 HIS A 166 HIS . middle .     166 1 
1 167 LYS A 167 LYS . middle .     167 1 
1 168 GLU A 168 GLU . end    .     168 1 
2 1   LIG B 500 LIG . .      .     169 1 
stop_
save_
save_nef_chemical_shift_list_11A5
# 
_Assigned_chem_shift_list.Sf_category    assigned_chemical_shifts 
_Assigned_chem_shift_list.Sf_framecode   nef_chemical_shift_list_11A5 
_Assigned_chem_shift_list.ID             1 
# 
loop_
_Atom_chem_shift.ID 
_Atom_chem_shift.Entity_assembly_ID 
_Atom_chem_shift.Comp_index_ID 
_Atom_chem_shift.Comp_ID 
_Atom_chem_shift.Atom_ID 
_Atom_chem_shift.Atom_type 
_Atom_chem_shift.Atom_isotope_number 
_Atom_chem_shift.Val 
_Atom_chem_shift.Val_err 
_Atom_chem_shift.Ambiguity_code 
_Atom_chem_shift.Ambiguity_set_ID 
_Atom_chem_shift.Auth_asym_ID 
_Atom_chem_shift.Auth_seq_ID 
_Atom_chem_shift.Auth_comp_ID 
_Atom_chem_shift.Auth_atom_ID 
_Atom_chem_shift.Original_PDB_strand_ID 
_Atom_chem_shift.Original_PDB_residue_no 
_Atom_chem_shift.Original_PDB_residue_name 
_Atom_chem_shift.Original_PDB_atom_name 
_Atom_chem_shift.Details 
_Atom_chem_shift.Assigned_chem_shift_list_ID 
1  1 7  VAL HG11 H 1 0.893 0.020 2 . A 7  VAL HG11 A 7  VAL HGx% . 1 
2  1 7  VAL HG12 H 1 0.893 0.020 2 . A 7  VAL HG12 A 7  VAL HGx% . 1 
3  1 7  VAL HG13 H 1 0.893 0.020 2 . A 7  VAL HG13 A 7  VAL HGx% . 1 
4  1 7  VAL HG21 H 1 0.724 0.020 2 . A 7  VAL HG21 A 7  VAL HGy% . 1 
5  1 7  VAL HG22 H 1 0.724 0.020 2 . A 7  VAL HG22 A 7  VAL HGy% . 1 
6  1 7  VAL HG23 H 1 0.724 0.020 2 . A 7  VAL HG23 A 7  VAL HGy% . 1 
7  1 56 LEU HD11 H 1 0.526 0.020 2 . A 56 LEU HD11 A 56 LEU HDx% . 1 
8  1 56 LEU HD12 H 1 0.526 0.020 2 . A 56 LEU HD12 A 56 LEU HDx% . 1 
9  1 56 LEU HD13 H 1 0.526 0.020 2 . A 56 LEU HD13 A 56 LEU HDx% . 1 
10 1 56 LEU HD21 H 1 0.470 0.020 2 . A 56 LEU HD21 A 56 LEU HDy% . 1 
11 1 56 LEU HD22 H 1 0.470 0.020 2 . A 56 LEU HD22 A 56 LEU HDy% . 1 
12 1 56 LEU HD23 H 1 0.470 0.020 2 . A 56 LEU HD23 A 56 LEU HDy% . 1 
13 1 74 THR HG21 H 1 1.183 0.020 1 . A 74 THR HG21 A 74 THR HG2% . 1 
14 1 74 THR HG22 H 1 1.183 0.020 1 . A 74 THR HG22 A 74 THR HG2% . 1 
15 1 74 THR HG23 H 1 1.183 0.020 1 . A 74 THR HG23 A 74 THR HG2% . 1 
stop_
save_
save_nef_distance_restraint_list_1
# 
_Gen_dist_constraint_list.Sf_category       general_distance_constraints 
_Gen_dist_constraint_list.Sf_framecode      nef_distance_restraint_list_1 
_Gen_dist_constraint_list.ID                1 
_Gen_dist_constraint_list.Constraint_type   . 
_Gen_dist_constraint_list.Potential_type    undefined 
# 
loop_
_Gen_dist_constraint.Index_ID 
_Gen_dist_constraint.ID 
_Gen_dist_constraint.Combination_ID 
_Gen_dist_constraint.Member_logic_code 
_Gen_dist_constraint.Entity_assembly_ID_1 
_Gen_dist_constraint.Comp_index_ID_1 
_Gen_dist_constraint.Comp_ID_1 
_Gen_dist_constraint.Atom_ID_1 
_Gen_dist_constraint.Entity_assembly_ID_2 
_Gen_dist_constraint.Comp_index_ID_2 
_Gen_dist_constraint.Comp_ID_2 
_Gen_dist_constraint.Atom_ID_2 
_Gen_dist_constraint.Distance_lower_bound_val 
_Gen_dist_constraint.Distance_upper_bound_val 
_Gen_dist_constraint.Weight 
_Gen_dist_constraint.Auth_asym_ID_1 
_Gen_dist_constraint.Auth_seq_ID_1 
_Gen_dist_constraint.Auth_comp_ID_1 
_Gen_dist_constraint.Auth_atom_ID_1 
_Gen_dist_constraint.Auth_atom_name_1 
_Gen_dist_constraint.Auth_asym_ID_2 
_Gen_dist_constraint.Auth_seq_ID_2 
_Gen_dist_constraint.Auth_comp_ID_2 
_Gen_dist_constraint.Auth_atom_ID_2 
_Gen_dist_constraint.Auth_atom_name_2 
_Gen_dist_constraint.Gen_dist_constraint_list_ID 
1  1  . OR 1 56 LEU HD21 A 500 LIG H14% 2.93 3.58 1 A 56 LEU HD21 HDy% A 500 LIG H14% H14% 1 
2  1  . OR 1 56 LEU HD22 A 500 LIG H14% 2.93 3.58 1 A 56 LEU HD22 HDy% A 500 LIG H14% H14% 1 
3  1  . OR 1 56 LEU HD23 A 500 LIG H14% 2.93 3.58 1 A 56 LEU HD23 HDy% A 500 LIG H14% H14% 1 
4  2  . OR 1 56 LEU HD21 A 500 LIG H23% 3.01 3.68 1 A 56 LEU HD21 HDy% A 500 LIG H23% H23% 1 
5  2  . OR 1 56 LEU HD22 A 500 LIG H23% 3.01 3.68 1 A 56 LEU HD22 HDy% A 500 LIG H23% H23% 1 
6  2  . OR 1 56 LEU HD23 A 500 LIG H23% 3.01 3.68 1 A 56 LEU HD23 HDy% A 500 LIG H23% H23% 1 
7  3  . OR 1 56 LEU HD11 A 500 LIG H14% 3.28 4.01 1 A 56 LEU HD11 HDx% A 500 LIG H14% H14% 1 
8  3  . OR 1 56 LEU HD12 A 500 LIG H14% 3.28 4.01 1 A 56 LEU HD12 HDx% A 500 LIG H14% H14% 1 
9  3  . OR 1 56 LEU HD13 A 500 LIG H14% 3.28 4.01 1 A 56 LEU HD13 HDx% A 500 LIG H14% H14% 1 
10 4  . OR 1 56 LEU HD11 A 500 LIG H23% 3.56 4.35 1 A 56 LEU HD11 HDx% A 500 LIG H23% H23% 1 
11 4  . OR 1 56 LEU HD12 A 500 LIG H23% 3.56 4.35 1 A 56 LEU HD12 HDx% A 500 LIG H23% H23% 1 
12 4  . OR 1 56 LEU HD13 A 500 LIG H23% 3.56 4.35 1 A 56 LEU HD13 HDx% A 500 LIG H23% H23% 1 
13 5  . OR 1 56 LEU HD11 A 500 LIG H6%  3.67 4.48 1 A 56 LEU HD11 HDx% A 500 LIG H6%  H6%  1 
14 5  . OR 1 56 LEU HD12 A 500 LIG H6%  3.67 4.48 1 A 56 LEU HD12 HDx% A 500 LIG H6%  H6%  1 
15 5  . OR 1 56 LEU HD13 A 500 LIG H6%  3.67 4.48 1 A 56 LEU HD13 HDx% A 500 LIG H6%  H6%  1 
16 6  . OR 1 7  VAL HG21 A 500 LIG H14% 2.57 3.15 1 A 7  VAL HG21 HGy% A 500 LIG H14% H14% 1 
17 6  . OR 1 7  VAL HG22 A 500 LIG H14% 2.57 3.15 1 A 7  VAL HG22 HGy% A 500 LIG H14% H14% 1 
18 6  . OR 1 7  VAL HG23 A 500 LIG H14% 2.57 3.15 1 A 7  VAL HG23 HGy% A 500 LIG H14% H14% 1 
19 7  . OR 1 7  VAL HG21 A 500 LIG H23% 2.13 2.6  1 A 7  VAL HG21 HGy% A 500 LIG H23% H23% 1 
20 7  . OR 1 7  VAL HG22 A 500 LIG H23% 2.13 2.6  1 A 7  VAL HG22 HGy% A 500 LIG H23% H23% 1 
21 7  . OR 1 7  VAL HG23 A 500 LIG H23% 2.13 2.6  1 A 7  VAL HG23 HGy% A 500 LIG H23% H23% 1 
22 8  . OR 1 7  VAL HG11 A 500 LIG H14% 3.17 3.88 1 A 7  VAL HG11 HGx% A 500 LIG H14% H14% 1 
23 8  . OR 1 7  VAL HG12 A 500 LIG H14% 3.17 3.88 1 A 7  VAL HG12 HGx% A 500 LIG H14% H14% 1 
24 8  . OR 1 7  VAL HG13 A 500 LIG H14% 3.17 3.88 1 A 7  VAL HG13 HGx% A 500 LIG H14% H14% 1 
25 9  . OR 1 7  VAL HG11 A 500 LIG H23% 3.43 4.19 1 A 7  VAL HG11 HGx% A 500 LIG H23% H23% 1 
26 9  . OR 1 7  VAL HG12 A 500 LIG H23% 3.43 4.19 1 A 7  VAL HG12 HGx% A 500 LIG H23% H23% 1 
27 9  . OR 1 7  VAL HG13 A 500 LIG H23% 3.43 4.19 1 A 7  VAL HG13 HGx% A 500 LIG H23% H23% 1 
28 10 . OR 1 74 THR HG21 A 500 LIG H14% 2.59 3.17 1 A 74 THR HG21 HG2% A 500 LIG H14% H14% 1 
29 10 . OR 1 74 THR HG22 A 500 LIG H14% 2.59 3.17 1 A 74 THR HG22 HG2% A 500 LIG H14% H14% 1 
30 10 . OR 1 74 THR HG23 A 500 LIG H14% 2.59 3.17 1 A 74 THR HG23 HG2% A 500 LIG H14% H14% 1 
31 11 . OR 1 74 THR HG21 A 500 LIG H23% 2.75 3.36 1 A 74 THR HG21 HG2% A 500 LIG H23% H23% 1 
32 11 . OR 1 74 THR HG22 A 500 LIG H23% 2.75 3.36 1 A 74 THR HG22 HG2% A 500 LIG H23% H23% 1 
33 11 . OR 1 74 THR HG23 A 500 LIG H23% 2.75 3.36 1 A 74 THR HG23 HG2% A 500 LIG H23% H23% 1 
stop_
save_
