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 |
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50574 |
2k1w   |
6804 | cing | 2-parsed | STAR | distance | general distance | simple | 3 |
data_2k1w_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k1w
_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_2k1w 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k1w
_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 2k1w "Master copy" parsed_2k1w
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k1w
_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 2k1w.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k1w 1
1 2k1w.mr . . DYANA/DIANA 2 distance NOE simple 1153 parsed_2k1w 1
1 2k1w.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 83 parsed_2k1w 1
1 2k1w.mr . . DYANA/DIANA 4 distance "general distance" simple 21 parsed_2k1w 1
1 2k1w.mr . . DYANA/DIANA 5 distance "hydrogen bond" simple 58 parsed_2k1w 1
1 2k1w.mr . . DYANA/DIANA 6 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2k1w 1
1 2k1w.mr . . DYANA/DIANA 7 "dihedral angle" "Not applicable" "Not applicable" 232 parsed_2k1w 1
1 2k1w.mr . . DYANA/DIANA 8 distance "general distance" simple 3 parsed_2k1w 1
1 2k1w.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k1w 1
stop_
save_
save_DYANA/DIANA_distance_constraints_8
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2k1w
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 8
_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_2k1w 1
2 1 . . . parsed_2k1w 1
3 1 . . . parsed_2k1w 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 . . . . . . . . . 25 GLN HA parsed_2k1w 1
1 1 2 . . . . . . . . . 26 CD 2.60 parsed_2k1w 1
2 1 1 . . . . . . . . . 49 TYR N parsed_2k1w 1
2 1 2 . . . . . . . . . 49 TYR CG parsed_2k1w 1
3 1 1 . . . . . . . . . 59 TRP CG parsed_2k1w 1
3 1 2 . . . . . . . . . 59 TRP C parsed_2k1w 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 . . . . . . . 5.00E+00 parsed_2k1w 1
2 1 . . . . . . . 2.85 parsed_2k1w 1
3 1 . . . . . . . 2.90 parsed_2k1w 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "1.49 1.00E+01" 4 25 4 39 parsed_2k1w 1
2 "2.39 " 5 25 5 30 parsed_2k1w 1
3 "2.12 " 6 25 6 30 parsed_2k1w 1
4 "2.12 " 7 25 7 30 parsed_2k1w 1
5 "2.33 " 8 25 8 30 parsed_2k1w 1
6 "2.12 " 9 25 9 30 parsed_2k1w 1
7 "2.12 " 10 25 10 30 parsed_2k1w 1
8 "1.49 1.00E+01" 11 25 11 39 parsed_2k1w 1
9 "2.39 " 12 25 12 30 parsed_2k1w 1
10 "2.12 " 13 25 13 30 parsed_2k1w 1
11 "2.12 " 14 25 14 30 parsed_2k1w 1
12 "2.33 " 15 25 15 30 parsed_2k1w 1
13 "2.12 " 16 25 16 30 parsed_2k1w 1
14 "2.12 " 17 25 17 30 parsed_2k1w 1
15 "1.49 1.00E+01" 18 25 18 39 parsed_2k1w 1
16 "2.39 " 19 25 19 30 parsed_2k1w 1
17 "2.12 " 20 25 20 30 parsed_2k1w 1
18 "2.12 " 21 25 21 30 parsed_2k1w 1
19 "2.33 " 22 25 22 30 parsed_2k1w 1
20 "2.63 " 23 25 23 30 parsed_2k1w 1
stop_
save_
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