NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
43395 |
2aqc   |
6845 | cing | 2-parsed | STAR | distance | general distance | simple | 14 |
data_2aqc_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2aqc
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_2aqc 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2aqc
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2aqc "Master copy" parsed_2aqc
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2aqc
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2aqc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2aqc 1
1 2aqc.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2aqc 1
1 2aqc.mr . . DYANA/DIANA 3 distance NOE simple 1048 parsed_2aqc 1
1 2aqc.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2aqc 1
1 2aqc.mr . . DYANA/DIANA 5 distance "hydrogen bond" simple 28 parsed_2aqc 1
1 2aqc.mr . . DYANA/DIANA 6 distance "general distance" simple 14 parsed_2aqc 1
1 2aqc.mr . . DYANA/DIANA 7 distance "hydrogen bond" simple 0 parsed_2aqc 1
1 2aqc.mr . . DYANA/DIANA 8 distance "general distance" simple 0 parsed_2aqc 1
1 2aqc.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2aqc 1
stop_
save_
save_DYANA/DIANA_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2aqc
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2aqc 1
2 1 . . . parsed_2aqc 1
3 1 . . . parsed_2aqc 1
4 1 . . . parsed_2aqc 1
5 1 . . . parsed_2aqc 1
6 1 . . . parsed_2aqc 1
7 1 . . . parsed_2aqc 1
8 1 . . . parsed_2aqc 1
9 1 . . . parsed_2aqc 1
10 1 . . . parsed_2aqc 1
11 1 . . . parsed_2aqc 1
12 1 . . . parsed_2aqc 1
13 1 . . . parsed_2aqc 1
14 1 . . . parsed_2aqc 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . -10 ZINC ZN parsed_2aqc 1
1 1 2 . . . . . . . . . 15 CYS- CB parsed_2aqc 1
2 1 1 . . . . . . . . . -10 ZINC ZN parsed_2aqc 1
2 1 2 . . . . . . . . . 24 CYS- CB parsed_2aqc 1
3 1 1 . . . . . . . . . -10 ZINC ZN parsed_2aqc 1
3 1 2 . . . . . . . . . 27 CYS- CB parsed_2aqc 1
4 1 1 . . . . . . . . . -10 ZINC ZN parsed_2aqc 1
4 1 2 . . . . . . . . . 12 CYS- CB parsed_2aqc 1
5 1 1 . . . . . . . . . -10 ZINC ZN parsed_2aqc 1
5 1 2 . . . . . . . . . 15 CYS- SG parsed_2aqc 1
6 1 1 . . . . . . . . . -10 ZINC ZN parsed_2aqc 1
6 1 2 . . . . . . . . . 24 CYS- SG parsed_2aqc 1
7 1 1 . . . . . . . . . -10 ZINC ZN parsed_2aqc 1
7 1 2 . . . . . . . . . 27 CYS- SG parsed_2aqc 1
8 1 1 . . . . . . . . . -10 ZINC ZN parsed_2aqc 1
8 1 2 . . . . . . . . . 12 CYS- SG parsed_2aqc 1
9 1 1 . . . . . . . . . 12 CYS- SG parsed_2aqc 1
9 1 2 . . . . . . . . . 15 CYS- SG parsed_2aqc 1
10 1 1 . . . . . . . . . 12 CYS- SG parsed_2aqc 1
10 1 2 . . . . . . . . . 24 CYS- SG parsed_2aqc 1
11 1 1 . . . . . . . . . 12 CYS- SG parsed_2aqc 1
11 1 2 . . . . . . . . . 27 CYS- SG parsed_2aqc 1
12 1 1 . . . . . . . . . 15 CYS- SG parsed_2aqc 1
12 1 2 . . . . . . . . . 27 CYS- SG parsed_2aqc 1
13 1 1 . . . . . . . . . 15 CYS- SG parsed_2aqc 1
13 1 2 . . . . . . . . . 24 CYS- SG parsed_2aqc 1
14 1 1 . . . . . . . . . 24 CYS- SG parsed_2aqc 1
14 1 2 . . . . . . . . . 27 CYS- SG parsed_2aqc 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 3.7 parsed_2aqc 1
2 1 . . . . . . . 3.7 parsed_2aqc 1
3 1 . . . . . . . 3.7 parsed_2aqc 1
4 1 . . . . . . . 3.7 parsed_2aqc 1
5 1 . . . . . . . 2.60 parsed_2aqc 1
6 1 . . . . . . . 2.60 parsed_2aqc 1
7 1 . . . . . . . 2.60 parsed_2aqc 1
8 1 . . . . . . . 2.60 parsed_2aqc 1
9 1 . . . . . . . 4.00 parsed_2aqc 1
10 1 . . . . . . . 4.00 parsed_2aqc 1
11 1 . . . . . . . 4.00 parsed_2aqc 1
12 1 . . . . . . . 4.00 parsed_2aqc 1
13 1 . . . . . . . 4.00 parsed_2aqc 1
14 1 . . . . . . . 4.00 parsed_2aqc 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 ----------------------------------------------------------------- 2 1 2 66 parsed_2aqc 1
2 "ZN Ligands" 3 1 3 34 parsed_2aqc 1
3 ----------------------------------------------------------------- 4 1 4 66 parsed_2aqc 1
4 5.00E+00 6 46 6 54 parsed_2aqc 1
5 5.00E+00 7 46 7 54 parsed_2aqc 1
6 5.00E+00 8 46 8 54 parsed_2aqc 1
7 5.00E+00 9 46 9 55 parsed_2aqc 1
8 5.00E+00 10 46 10 54 parsed_2aqc 1
9 5.00E+00 11 46 11 54 parsed_2aqc 1
10 5.00E+00 12 46 12 54 parsed_2aqc 1
11 5.00E+00 13 46 13 55 parsed_2aqc 1
12 ----------------------------------------------------------------- 14 1 14 66 parsed_2aqc 1
13 "ZN Geometry" 15 1 15 35 parsed_2aqc 1
14 ----------------------------------------------------------------- 16 1 16 66 parsed_2aqc 1
15 5.00E+00 17 39 17 47 parsed_2aqc 1
16 5.00E+00 18 39 18 47 parsed_2aqc 1
17 5.00E+00 19 39 19 47 parsed_2aqc 1
18 5.00E+00 20 39 20 47 parsed_2aqc 1
19 5.00E+00 21 39 21 47 parsed_2aqc 1
20 5.00E+00 22 39 22 47 parsed_2aqc 1
21 ----------------------------------------------------------------- 23 1 23 66 parsed_2aqc 1
stop_
save_
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