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 |
|
|
476150 |
1bwt   |
4235 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 26 |
data_1bwt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1bwt
_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_1bwt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1bwt
_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 1bwt "Master copy" parsed_1bwt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1bwt
_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 1bwt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bwt 1
1 1bwt.mr . . AMBER 2 distance NOE simple 401 parsed_1bwt 1
1 1bwt.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 90 parsed_1bwt 1
1 1bwt.mr . . AMBER 4 distance "hydrogen bond" simple 26 parsed_1bwt 1
1 1bwt.mr . . AMBER 5 angle "Not applicable" "Not applicable" 0 parsed_1bwt 1
1 1bwt.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1bwt 1
stop_
save_
save_AMBER_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1bwt
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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_1bwt 1
2 1 . . . parsed_1bwt 1
3 1 . . . parsed_1bwt 1
4 1 . . . parsed_1bwt 1
5 1 . . . parsed_1bwt 1
6 1 . . . parsed_1bwt 1
7 1 . . . parsed_1bwt 1
8 1 . . . parsed_1bwt 1
9 1 . . . parsed_1bwt 1
10 1 . . . parsed_1bwt 1
11 1 . . . parsed_1bwt 1
12 1 . . . parsed_1bwt 1
13 1 . . . parsed_1bwt 1
14 1 . . . parsed_1bwt 1
15 1 . . . parsed_1bwt 1
16 1 . . . parsed_1bwt 1
17 1 . . . parsed_1bwt 1
18 1 . . . parsed_1bwt 1
19 1 . . . parsed_1bwt 1
20 1 . . . parsed_1bwt 1
21 1 . . . parsed_1bwt 1
22 1 . . . parsed_1bwt 1
23 1 . . . parsed_1bwt 1
24 1 . . . parsed_1bwt 1
25 1 . . . parsed_1bwt 1
26 1 . . . parsed_1bwt 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 . O6 parsed_1bwt 1
1 1 2 . . . . . . . . . 20 . N4 parsed_1bwt 1
2 1 1 . . . . . . . . . 1 . N1 parsed_1bwt 1
2 1 2 . . . . . . . . . 20 . N3 parsed_1bwt 1
3 1 1 . . . . . . . . . 1 . N2 parsed_1bwt 1
3 1 2 . . . . . . . . . 20 . O2 parsed_1bwt 1
4 1 1 . . . . . . . . . 19 . O6 parsed_1bwt 1
4 1 2 . . . . . . . . . 2 . N4 parsed_1bwt 1
5 1 1 . . . . . . . . . 19 . N1 parsed_1bwt 1
5 1 2 . . . . . . . . . 2 . N3 parsed_1bwt 1
6 1 1 . . . . . . . . . 19 . N2 parsed_1bwt 1
6 1 2 . . . . . . . . . 2 . O2 parsed_1bwt 1
7 1 1 . . . . . . . . . 3 . O6 parsed_1bwt 1
7 1 2 . . . . . . . . . 18 . N4 parsed_1bwt 1
8 1 1 . . . . . . . . . 3 . N1 parsed_1bwt 1
8 1 2 . . . . . . . . . 18 . N3 parsed_1bwt 1
9 1 1 . . . . . . . . . 3 . N2 parsed_1bwt 1
9 1 2 . . . . . . . . . 18 . O2 parsed_1bwt 1
10 1 1 . . . . . . . . . 13 . O6 parsed_1bwt 1
10 1 2 . . . . . . . . . 8 . N4 parsed_1bwt 1
11 1 1 . . . . . . . . . 13 . N1 parsed_1bwt 1
11 1 2 . . . . . . . . . 8 . N3 parsed_1bwt 1
12 1 1 . . . . . . . . . 13 . N2 parsed_1bwt 1
12 1 2 . . . . . . . . . 8 . O2 parsed_1bwt 1
13 1 1 . . . . . . . . . 9 . O6 parsed_1bwt 1
13 1 2 . . . . . . . . . 12 . N4 parsed_1bwt 1
14 1 1 . . . . . . . . . 9 . N1 parsed_1bwt 1
14 1 2 . . . . . . . . . 12 . N3 parsed_1bwt 1
15 1 1 . . . . . . . . . 9 . N2 parsed_1bwt 1
15 1 2 . . . . . . . . . 12 . O2 parsed_1bwt 1
16 1 1 . . . . . . . . . 11 . O6 parsed_1bwt 1
16 1 2 . . . . . . . . . 10 . N4 parsed_1bwt 1
17 1 1 . . . . . . . . . 11 . N1 parsed_1bwt 1
17 1 2 . . . . . . . . . 10 . N3 parsed_1bwt 1
18 1 1 . . . . . . . . . 11 . N2 parsed_1bwt 1
18 1 2 . . . . . . . . . 10 . O2 parsed_1bwt 1
19 1 1 . . . . . . . . . 5 . N1 parsed_1bwt 1
19 1 2 . . . . . . . . . 16 . N3 parsed_1bwt 1
20 1 1 . . . . . . . . . 5 . N6 parsed_1bwt 1
20 1 2 . . . . . . . . . 16 . O4 parsed_1bwt 1
21 1 1 . . . . . . . . . 15 . N1 parsed_1bwt 1
21 1 2 . . . . . . . . . 6 . N3 parsed_1bwt 1
22 1 1 . . . . . . . . . 15 . N6 parsed_1bwt 1
22 1 2 . . . . . . . . . 6 . O4 parsed_1bwt 1
23 1 1 . . . . . . . . . 4 . N1 parsed_1bwt 1
23 1 2 . . . . . . . . . 17 . N3 parsed_1bwt 1
24 1 1 . . . . . . . . . 4 . N6 parsed_1bwt 1
24 1 2 . . . . . . . . . 17 . O4 parsed_1bwt 1
25 1 1 . . . . . . . . . 14 . N1 parsed_1bwt 1
25 1 2 . . . . . . . . . 7 . N3 parsed_1bwt 1
26 1 1 . . . . . . . . . 14 . N6 parsed_1bwt 1
26 1 2 . . . . . . . . . 7 . O4 parsed_1bwt 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 . . . . . 3.01 2.81 3.51 parsed_1bwt 1
2 1 . . . . . 3.05 2.85 3.55 parsed_1bwt 1
3 1 . . . . . 2.96 2.76 3.46 parsed_1bwt 1
4 1 . . . . . 3.01 2.81 3.51 parsed_1bwt 1
5 1 . . . . . 3.05 2.85 3.55 parsed_1bwt 1
6 1 . . . . . 2.96 2.76 3.46 parsed_1bwt 1
7 1 . . . . . 3.01 2.81 3.51 parsed_1bwt 1
8 1 . . . . . 3.05 2.85 3.55 parsed_1bwt 1
9 1 . . . . . 2.96 2.76 3.46 parsed_1bwt 1
10 1 . . . . . 3.01 2.81 3.51 parsed_1bwt 1
11 1 . . . . . 3.05 2.85 3.55 parsed_1bwt 1
12 1 . . . . . 2.96 2.76 3.46 parsed_1bwt 1
13 1 . . . . . 3.01 2.81 3.51 parsed_1bwt 1
14 1 . . . . . 3.05 2.85 3.55 parsed_1bwt 1
15 1 . . . . . 2.96 2.76 3.46 parsed_1bwt 1
16 1 . . . . . 3.01 2.81 3.51 parsed_1bwt 1
17 1 . . . . . 3.05 2.85 3.55 parsed_1bwt 1
18 1 . . . . . 2.96 2.76 3.46 parsed_1bwt 1
19 1 . . . . . 2.92 2.72 3.42 parsed_1bwt 1
20 1 . . . . . 3.05 2.85 3.55 parsed_1bwt 1
21 1 . . . . . 2.92 2.72 3.42 parsed_1bwt 1
22 1 . . . . . 3.05 2.85 3.55 parsed_1bwt 1
23 1 . . . . . 2.92 2.72 3.42 parsed_1bwt 1
24 1 . . . . . 3.05 2.85 3.55 parsed_1bwt 1
25 1 . . . . . 2.92 2.72 3.42 parsed_1bwt 1
26 1 . . . . . 3.05 2.85 3.55 parsed_1bwt 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
;
below are heavy atom W-C base pair restraints
G-C base pairs: 1-20,19-2,3-18,13-8,9-12,11-10:
;
1 1 2 50 parsed_1bwt 1
2 "A-T base pairs: 4-17, 5-16, 14-7, 15-6:" 57 1 57 42 parsed_1bwt 1
stop_
save_
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