NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype | item_count |
|
|
29049 |
1agg   |
cing | recoord | 2-parsed | STAR | distance | hydrogen bond | simple | 9 |
data_1agg_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1agg
_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_1agg 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1agg
_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 1agg "Master copy" parsed_1agg
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1agg
_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 1agg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1agg 1
1 1agg.mr . . DISCOVER 2 stereochemistry chirality "Not applicable" 0 parsed_1agg 1
1 1agg.mr . . DISCOVER 3 distance "hydrogen bond" simple 9 parsed_1agg 1
1 1agg.mr . . DISCOVER 4 distance NOE simple 0 parsed_1agg 1
1 1agg.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1agg 1
1 1agg.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1agg 1
1 1agg.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1agg 1
stop_
save_
save_Discover_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1agg
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_1agg 1
2 1 . . . parsed_1agg 1
3 1 . . . parsed_1agg 1
4 1 . . . parsed_1agg 1
5 1 . . . parsed_1agg 1
6 1 . . . parsed_1agg 1
7 1 . . . parsed_1agg 1
8 1 . . . parsed_1agg 1
9 1 . . . parsed_1agg 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 . . . . . . . . 1 10 GLY O parsed_1agg 1
1 1 2 . . . . . . . . 1 36 CYS HN parsed_1agg 1
2 1 1 . . . . . . . . 1 26 ARG O parsed_1agg 1
2 1 2 . . . . . . . . 1 35 GLU HN parsed_1agg 1
3 1 1 . . . . . . . . 1 26 ARG HN parsed_1agg 1
3 1 2 . . . . . . . . 1 35 GLU O parsed_1agg 1
4 1 1 . . . . . . . . 1 37 THR HN parsed_1agg 1
4 1 2 . . . . . . . . 1 24 PRO O parsed_1agg 1
5 1 1 . . . . . . . . 1 34 CYS O parsed_1agg 1
5 1 2 . . . . . . . . 1 12 CYS HN parsed_1agg 1
6 1 1 . . . . . . . . 1 19 CYS O parsed_1agg 1
6 1 2 . . . . . . . . 1 23 ARG HN parsed_1agg 1
7 1 1 . . . . . . . . 1 19 CYS HN parsed_1agg 1
7 1 2 . . . . . . . . 1 23 ARG O parsed_1agg 1
8 1 1 . . . . . . . . 1 13 THR HN parsed_1agg 1
8 1 2 . . . . . . . . 1 17 THR O parsed_1agg 1
9 1 1 . . . . . . . . 1 18 LYS O parsed_1agg 1
9 1 2 . . . . . . . . 1 5 ILE HN parsed_1agg 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 . . . . . . -1.000 2.350 parsed_1agg 1
2 1 . . . . . . -1.000 2.350 parsed_1agg 1
3 1 . . . . . . -1.000 2.350 parsed_1agg 1
4 1 . . . . . . -1.000 2.350 parsed_1agg 1
5 1 . . . . . . -1.000 2.350 parsed_1agg 1
6 1 . . . . . . -1.000 2.350 parsed_1agg 1
7 1 . . . . . . -1.000 2.350 parsed_1agg 1
8 1 . . . . . . -1.000 2.350 parsed_1agg 1
9 1 . . . . . . -1.000 2.350 parsed_1agg 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 distance 1 1 1 9 parsed_1agg 1
stop_
save_
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