NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
30496 |
1coc   |
4416 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 37 |
data_1coc_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1coc
_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_1coc 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1coc
_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 1coc "Master copy" parsed_1coc
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1coc
_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 1coc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1coc 1
1 1coc.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1coc 1
1 1coc.mr . . DISCOVER 3 distance "hydrogen bond" simple 37 parsed_1coc 1
1 1coc.mr . . DISCOVER 4 distance NOE simple 0 parsed_1coc 1
1 1coc.mr . . DISCOVER 5 distance "general distance" simple 0 parsed_1coc 1
1 1coc.mr . . DISCOVER 6 distance NOE simple 0 parsed_1coc 1
1 1coc.mr . . DISCOVER 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1coc 1
1 1coc.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1coc 1
stop_
save_
save_Discover_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1coc
_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_1coc 1
2 1 . . . parsed_1coc 1
3 1 . . . parsed_1coc 1
4 1 . . . parsed_1coc 1
5 1 . . . parsed_1coc 1
6 1 . . . parsed_1coc 1
7 1 . . . parsed_1coc 1
8 1 . . . parsed_1coc 1
9 1 . . . parsed_1coc 1
10 1 . . . parsed_1coc 1
11 1 . . . parsed_1coc 1
12 1 . . . parsed_1coc 1
13 1 . . . parsed_1coc 1
14 1 . . . parsed_1coc 1
15 1 . . . parsed_1coc 1
16 1 . . . parsed_1coc 1
17 1 . . . parsed_1coc 1
18 1 . . . parsed_1coc 1
19 1 . . . parsed_1coc 1
20 1 . . . parsed_1coc 1
21 1 . . . parsed_1coc 1
22 1 . . . parsed_1coc 1
23 1 . . . parsed_1coc 1
24 1 . . . parsed_1coc 1
25 1 . . . parsed_1coc 1
26 1 . . . parsed_1coc 1
27 1 . . . parsed_1coc 1
28 1 . . . parsed_1coc 1
29 1 . . . parsed_1coc 1
30 1 . . . parsed_1coc 1
31 1 . . . parsed_1coc 1
32 1 . . . parsed_1coc 1
33 1 . . . parsed_1coc 1
34 1 . . . parsed_1coc 1
35 1 . . . parsed_1coc 1
36 1 . . . parsed_1coc 1
37 1 . . . parsed_1coc 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 1 G O6 parsed_1coc 1
1 1 2 . . . . . . . . 2 12 C H42 parsed_1coc 1
2 1 1 . . . . . . . . 1 1 G H1 parsed_1coc 1
2 1 2 . . . . . . . . 2 12 C N3 parsed_1coc 1
3 1 1 . . . . . . . . 1 1 G H22 parsed_1coc 1
3 1 2 . . . . . . . . 2 12 C O2 parsed_1coc 1
4 1 1 . . . . . . . . 1 2 C H42 parsed_1coc 1
4 1 2 . . . . . . . . 2 11 G O6 parsed_1coc 1
5 1 1 . . . . . . . . 1 2 C N3 parsed_1coc 1
5 1 2 . . . . . . . . 2 11 G H1 parsed_1coc 1
6 1 1 . . . . . . . . 1 2 C O2 parsed_1coc 1
6 1 2 . . . . . . . . 2 11 G H22 parsed_1coc 1
7 1 1 . . . . . . . . 1 3 A H61 parsed_1coc 1
7 1 2 . . . . . . . . 2 10 T O4 parsed_1coc 1
8 1 1 . . . . . . . . 1 3 A N1 parsed_1coc 1
8 1 2 . . . . . . . . 2 10 T H3 parsed_1coc 1
9 1 1 . . . . . . . . 1 4 C H42 parsed_1coc 1
9 1 2 . . . . . . . . 2 9 G O6 parsed_1coc 1
10 1 1 . . . . . . . . 1 4 C N3 parsed_1coc 1
10 1 2 . . . . . . . . 2 9 G H1 parsed_1coc 1
11 1 1 . . . . . . . . 1 4 C O2 parsed_1coc 1
11 1 2 . . . . . . . . 2 9 G H22 parsed_1coc 1
12 1 1 . . . . . . . . 1 5 G O6 parsed_1coc 1
12 1 2 . . . . . . . . 2 8 C H42 parsed_1coc 1
13 1 1 . . . . . . . . 1 5 G H1 parsed_1coc 1
13 1 2 . . . . . . . . 2 8 C N3 parsed_1coc 1
14 1 1 . . . . . . . . 1 5 G H22 parsed_1coc 1
14 1 2 . . . . . . . . 2 8 C O2 parsed_1coc 1
15 1 1 . . . . . . . . 1 6 A H61 parsed_1coc 1
15 1 2 . . . . . . . . 2 7 T O4 parsed_1coc 1
16 1 1 . . . . . . . . 1 6 A N1 parsed_1coc 1
16 1 2 . . . . . . . . 2 7 T H3 parsed_1coc 1
17 1 1 . . . . . . . . 1 7 A H61 parsed_1coc 1
17 1 2 . . . . . . . . 2 6 T O4 parsed_1coc 1
18 1 1 . . . . . . . . 1 7 A N1 parsed_1coc 1
18 1 2 . . . . . . . . 2 6 T H3 parsed_1coc 1
19 1 1 . . . . . . . . 1 8 T O4 parsed_1coc 1
19 1 2 . . . . . . . . 2 5 A H61 parsed_1coc 1
20 1 1 . . . . . . . . 1 8 T H3 parsed_1coc 1
20 1 2 . . . . . . . . 2 5 A N1 parsed_1coc 1
21 1 1 . . . . . . . . 1 9 T O4 parsed_1coc 1
21 1 2 . . . . . . . . 2 4 A H61 parsed_1coc 1
22 1 1 . . . . . . . . 1 9 T H3 parsed_1coc 1
22 1 2 . . . . . . . . 2 4 A N1 parsed_1coc 1
23 1 1 . . . . . . . . 1 10 A H61 parsed_1coc 1
23 1 2 . . . . . . . . 2 3 T O4 parsed_1coc 1
24 1 1 . . . . . . . . 1 10 A N1 parsed_1coc 1
24 1 2 . . . . . . . . 2 3 T H3 parsed_1coc 1
25 1 1 . . . . . . . . 1 11 A H61 parsed_1coc 1
25 1 2 . . . . . . . . 2 2 T O4 parsed_1coc 1
26 1 1 . . . . . . . . 1 11 A N1 parsed_1coc 1
26 1 2 . . . . . . . . 2 2 T H3 parsed_1coc 1
27 1 1 . . . . . . . . 1 12 G O6 parsed_1coc 1
27 1 2 . . . . . . . . 2 1 C H42 parsed_1coc 1
28 1 1 . . . . . . . . 1 12 G H1 parsed_1coc 1
28 1 2 . . . . . . . . 2 1 C N3 parsed_1coc 1
29 1 1 . . . . . . . . 1 2 C H6 parsed_1coc 1
29 1 2 . . . . . . . . 1 2 C H5 parsed_1coc 1
30 1 1 . . . . . . . . 1 4 C H6 parsed_1coc 1
30 1 2 . . . . . . . . 1 4 C H5 parsed_1coc 1
31 1 1 . . . . . . . . 2 1 C H6 parsed_1coc 1
31 1 2 . . . . . . . . 2 1 C H5 parsed_1coc 1
32 1 1 . . . . . . . . 2 8 C H6 parsed_1coc 1
32 1 2 . . . . . . . . 2 8 C H5 parsed_1coc 1
33 1 1 . . . . . . . . 2 12 C H6 parsed_1coc 1
33 1 2 . . . . . . . . 2 12 C H5 parsed_1coc 1
34 1 1 . . . . . . . . 1 2 C H5 parsed_1coc 1
34 1 2 . . . . . . . . 1 1 G H8 parsed_1coc 1
35 1 1 . . . . . . . . 1 4 C H5 parsed_1coc 1
35 1 2 . . . . . . . . 1 3 A H8 parsed_1coc 1
36 1 1 . . . . . . . . 2 8 C H5 parsed_1coc 1
36 1 2 . . . . . . . . 2 7 T H6 parsed_1coc 1
37 1 1 . . . . . . . . 2 12 C H5 parsed_1coc 1
37 1 2 . . . . . . . . 2 11 G H8 parsed_1coc 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 . . . . . 0.000 1.70 2.10 parsed_1coc 1
2 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
3 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
4 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
5 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
6 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
7 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
8 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
9 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
10 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
11 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
12 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
13 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
14 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
15 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
16 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
17 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
18 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
19 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
20 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
21 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
22 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
23 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
24 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
25 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
26 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
27 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
28 1 . . . . . 0.000 1.70 2.10 parsed_1coc 1
29 1 . . . . . 0.000 2.46 2.48 parsed_1coc 1
30 1 . . . . . 0.000 2.46 2.48 parsed_1coc 1
31 1 . . . . . 0.000 2.46 2.48 parsed_1coc 1
32 1 . . . . . 0.000 2.46 2.48 parsed_1coc 1
33 1 . . . . . 0.000 2.46 2.48 parsed_1coc 1
34 1 . . . . . 0.000 4.00 5.00 parsed_1coc 1
35 1 . . . . . 0.000 3.50 4.00 parsed_1coc 1
36 1 . . . . . 0.000 3.50 4.00 parsed_1coc 1
37 1 . . . . . 0.000 4.00 5.00 parsed_1coc 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
;
H-Bond Constraints
Won't normally change
;
1 1 2 28 parsed_1coc 1
2 "(n)H6 to (n)H5" 31 1 31 21 parsed_1coc 1
3 "(n)H5 to (n-1)H8/H6" 37 1 37 26 parsed_1coc 1
stop_
save_
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