NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
29919 |
1bku   |
4219 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 23 |
data_1bku_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1bku
_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_1bku 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1bku
_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 1bku "Master copy" parsed_1bku
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1bku
_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 1bku.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bku 1
1 1bku.mr . . DISCOVER 2 stereochemistry chirality "Not applicable" 0 parsed_1bku 1
1 1bku.mr . . DISCOVER 3 distance "hydrogen bond" simple 23 parsed_1bku 1
1 1bku.mr . . DISCOVER 4 distance NOE simple 0 parsed_1bku 1
1 1bku.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1bku 1
1 1bku.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1bku 1
stop_
save_
save_Discover_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1bku
_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_1bku 1
2 1 . . . parsed_1bku 1
3 1 . . . parsed_1bku 1
4 1 . . . parsed_1bku 1
5 1 . . . parsed_1bku 1
6 1 . . . parsed_1bku 1
7 1 . . . parsed_1bku 1
8 1 . . . parsed_1bku 1
9 1 . . . parsed_1bku 1
10 1 . . . parsed_1bku 1
11 1 . . . parsed_1bku 1
12 1 . . . parsed_1bku 1
13 1 . . . parsed_1bku 1
14 1 . . . parsed_1bku 1
15 1 . . . parsed_1bku 1
16 1 . . . parsed_1bku 1
17 1 . . . parsed_1bku 1
18 1 . . . parsed_1bku 1
19 1 . . . parsed_1bku 1
20 1 . . . parsed_1bku 1
21 1 . . . parsed_1bku 1
22 1 . . . parsed_1bku 1
23 1 . . . parsed_1bku 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 7 CYS HB* parsed_1bku 1
1 1 2 . . . . . . . . 1 1 CYSN S parsed_1bku 1
2 1 1 . . . . . . . . 1 1 CYSN HB* parsed_1bku 1
2 1 2 . . . . . . . . 1 7 CYS S parsed_1bku 1
3 1 1 . . . . . . . . 1 1 CYSN S parsed_1bku 1
3 1 2 . . . . . . . . 1 7 CYS S parsed_1bku 1
4 1 1 . . . . . . . . 1 19 LEU N parsed_1bku 1
4 1 2 . . . . . . . . 1 15 GLU O parsed_1bku 1
5 1 1 . . . . . . . . 1 18 LYS N parsed_1bku 1
5 1 2 . . . . . . . . 1 14 GLN O parsed_1bku 1
6 1 1 . . . . . . . . 1 16 LEU N parsed_1bku 1
6 1 2 . . . . . . . . 1 12 LEU O parsed_1bku 1
7 1 1 . . . . . . . . 1 15 GLU N parsed_1bku 1
7 1 2 . . . . . . . . 1 11 LYS O parsed_1bku 1
8 1 1 . . . . . . . . 1 14 GLN N parsed_1bku 1
8 1 2 . . . . . . . . 1 10 GLY O parsed_1bku 1
9 1 1 . . . . . . . . 1 13 SER N parsed_1bku 1
9 1 2 . . . . . . . . 1 9 LEU O parsed_1bku 1
10 1 1 . . . . . . . . 1 12 LEU N parsed_1bku 1
10 1 2 . . . . . . . . 1 8 VAL O parsed_1bku 1
11 1 1 . . . . . . . . 1 11 LYS N parsed_1bku 1
11 1 2 . . . . . . . . 1 7 CYS O parsed_1bku 1
12 1 1 . . . . . . . . 1 10 GLY N parsed_1bku 1
12 1 2 . . . . . . . . 1 6 THR O parsed_1bku 1
13 1 1 . . . . . . . . 1 9 LEU N parsed_1bku 1
13 1 2 . . . . . . . . 1 5 SER O parsed_1bku 1
14 1 1 . . . . . . . . 1 9 LEU HN parsed_1bku 1
14 1 2 . . . . . . . . 1 5 SER O parsed_1bku 1
15 1 1 . . . . . . . . 1 10 GLY HN parsed_1bku 1
15 1 2 . . . . . . . . 1 6 THR O parsed_1bku 1
16 1 1 . . . . . . . . 1 11 LYS HN parsed_1bku 1
16 1 2 . . . . . . . . 1 7 CYS O parsed_1bku 1
17 1 1 . . . . . . . . 1 12 LEU HN parsed_1bku 1
17 1 2 . . . . . . . . 1 8 VAL O parsed_1bku 1
18 1 1 . . . . . . . . 1 13 SER HN parsed_1bku 1
18 1 2 . . . . . . . . 1 9 LEU O parsed_1bku 1
19 1 1 . . . . . . . . 1 14 GLN HN parsed_1bku 1
19 1 2 . . . . . . . . 1 10 GLY O parsed_1bku 1
20 1 1 . . . . . . . . 1 15 GLU HN parsed_1bku 1
20 1 2 . . . . . . . . 1 11 LYS O parsed_1bku 1
21 1 1 . . . . . . . . 1 16 LEU HN parsed_1bku 1
21 1 2 . . . . . . . . 1 12 LEU O parsed_1bku 1
22 1 1 . . . . . . . . 1 18 LYS HN parsed_1bku 1
22 1 2 . . . . . . . . 1 14 GLN O parsed_1bku 1
23 1 1 . . . . . . . . 1 19 LEU HN parsed_1bku 1
23 1 2 . . . . . . . . 1 15 GLU O parsed_1bku 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 . . . . . . 2.500 3.500 parsed_1bku 1
2 1 . . . . . . 2.500 3.500 parsed_1bku 1
3 1 . . . . . . 1.900 2.100 parsed_1bku 1
4 1 . . . . . . 2.800 3.300 parsed_1bku 1
5 1 . . . . . . 2.800 3.300 parsed_1bku 1
6 1 . . . . . . 2.800 3.300 parsed_1bku 1
7 1 . . . . . . 2.800 3.300 parsed_1bku 1
8 1 . . . . . . 2.800 3.300 parsed_1bku 1
9 1 . . . . . . 2.800 3.300 parsed_1bku 1
10 1 . . . . . . 2.800 3.300 parsed_1bku 1
11 1 . . . . . . 2.800 3.300 parsed_1bku 1
12 1 . . . . . . 2.800 3.300 parsed_1bku 1
13 1 . . . . . . 2.800 3.300 parsed_1bku 1
14 1 . . . . . . 1.800 2.200 parsed_1bku 1
15 1 . . . . . . 1.800 2.200 parsed_1bku 1
16 1 . . . . . . 1.800 2.200 parsed_1bku 1
17 1 . . . . . . 1.800 2.200 parsed_1bku 1
18 1 . . . . . . 1.800 2.200 parsed_1bku 1
19 1 . . . . . . 1.800 2.200 parsed_1bku 1
20 1 . . . . . . 1.800 2.200 parsed_1bku 1
21 1 . . . . . . 1.800 2.200 parsed_1bku 1
22 1 . . . . . . 1.800 2.200 parsed_1bku 1
23 1 . . . . . . 1.800 2.200 parsed_1bku 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_1bku 1
stop_
save_
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