NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
649611 |
6kg9   |
cing | 2-parsed | STAR | distance | general distance | ambi | 12 |
data_6kg9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6kg9
_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_6kg9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6kg9
_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 6kg9 "Master copy" parsed_6kg9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6kg9
_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 6kg9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6kg9 1
1 6kg9.mr . . XPLOR/CNS 2 distance NOE ambi 2590 parsed_6kg9 1
1 6kg9.mr . . XPLOR/CNS 3 distance "general distance" ambi 12 parsed_6kg9 1
1 6kg9.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6kg9 1
1 6kg9.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_6kg9 1
1 6kg9.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6kg9 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6kg9
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_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_6kg9 1
2 1 . . . parsed_6kg9 1
3 1 2 . OR parsed_6kg9 1
3 2 . 3 . parsed_6kg9 1
3 3 . . . parsed_6kg9 1
4 1 . . . parsed_6kg9 1
5 1 . . . parsed_6kg9 1
6 1 . . . parsed_6kg9 1
7 1 . . . parsed_6kg9 1
8 1 . . . parsed_6kg9 1
9 1 2 . OR parsed_6kg9 1
9 2 . 3 . parsed_6kg9 1
9 3 . . . parsed_6kg9 1
10 1 . . . parsed_6kg9 1
11 1 . . . parsed_6kg9 1
12 1 . . . parsed_6kg9 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 . . . . . . . . A 6 . OD1 parsed_6kg9 1
1 1 2 . . . . . . . . B 1 . CA+2 parsed_6kg9 1
2 1 1 . . . . . . . . A 8 . OD1 parsed_6kg9 1
2 1 2 . . . . . . . . B 1 . CA+2 parsed_6kg9 1
3 2 1 . . . . . . . . A 10 . OD1 parsed_6kg9 1
3 2 2 . . . . . . . . B 1 . CA+2 parsed_6kg9 1
3 3 1 . . . . . . . . A 10 . OD2 parsed_6kg9 1
3 3 2 . . . . . . . . B 1 . CA+2 parsed_6kg9 1
4 1 1 . . . . . . . . A 12 . O parsed_6kg9 1
4 1 2 . . . . . . . . B 1 . CA+2 parsed_6kg9 1
5 1 1 . . . . . . . . A 17 . OD1 parsed_6kg9 1
5 1 2 . . . . . . . . B 1 . CA+2 parsed_6kg9 1
6 1 1 . . . . . . . . A 17 . OD2 parsed_6kg9 1
6 1 2 . . . . . . . . B 1 . CA+2 parsed_6kg9 1
7 1 1 . . . . . . . . A 39 . OD1 parsed_6kg9 1
7 1 2 . . . . . . . . B 2 . CA+2 parsed_6kg9 1
8 1 1 . . . . . . . . A 41 . OD1 parsed_6kg9 1
8 1 2 . . . . . . . . B 2 . CA+2 parsed_6kg9 1
9 2 1 . . . . . . . . A 43 . OD1 parsed_6kg9 1
9 2 2 . . . . . . . . B 2 . CA+2 parsed_6kg9 1
9 3 1 . . . . . . . . A 43 . OD2 parsed_6kg9 1
9 3 2 . . . . . . . . B 2 . CA+2 parsed_6kg9 1
10 1 1 . . . . . . . . A 45 . O parsed_6kg9 1
10 1 2 . . . . . . . . B 2 . CA+2 parsed_6kg9 1
11 1 1 . . . . . . . . A 50 . OD1 parsed_6kg9 1
11 1 2 . . . . . . . . B 2 . CA+2 parsed_6kg9 1
12 1 1 . . . . . . . . A 50 . OD2 parsed_6kg9 1
12 1 2 . . . . . . . . B 2 . CA+2 parsed_6kg9 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 . . . . . 2.40 2.20 2.60 parsed_6kg9 1
2 1 . . . . . 2.40 2.20 2.60 parsed_6kg9 1
3 2 . . . . . 2.40 2.20 2.60 parsed_6kg9 1
3 3 . . . . . 2.40 2.20 2.60 parsed_6kg9 1
4 1 . . . . . 2.40 2.20 2.60 parsed_6kg9 1
5 1 . . . . . 2.40 2.20 2.60 parsed_6kg9 1
6 1 . . . . . 2.40 2.20 2.60 parsed_6kg9 1
7 1 . . . . . 2.40 2.20 2.60 parsed_6kg9 1
8 1 . . . . . 2.40 2.20 2.60 parsed_6kg9 1
9 2 . . . . . 2.40 2.20 2.60 parsed_6kg9 1
9 3 . . . . . 2.40 2.20 2.60 parsed_6kg9 1
10 1 . . . . . 2.40 2.20 2.60 parsed_6kg9 1
11 1 . . . . . 2.40 2.20 2.60 parsed_6kg9 1
12 1 . . . . . 2.40 2.20 2.60 parsed_6kg9 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 ca-o 2 103 2 109 parsed_6kg9 1
2 ca-o 4 103 4 109 parsed_6kg9 1
3 ca-o 3 103 3 109 parsed_6kg9 1
4 ca-o 6 103 6 109 parsed_6kg9 1
5 ca-o 7 103 7 109 parsed_6kg9 1
6 ca-o 8 103 8 109 parsed_6kg9 1
7 ca-o 9 103 9 109 parsed_6kg9 1
8 ca-o 11 103 11 109 parsed_6kg9 1
9 ca-o 10 103 10 109 parsed_6kg9 1
10 ca-o 13 103 13 109 parsed_6kg9 1
11 ca-o 14 103 14 109 parsed_6kg9 1
12 ca-o 15 103 15 109 parsed_6kg9 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 "# Restraints file 2: ca.tbl" 1 1 1 27 parsed_6kg9 1
stop_
save_
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