NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
53133 |
2ovn   |
cing | 2-parsed | STAR | distance | hydrogen bond | simple | 16 |
data_2ovn_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ovn
_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_2ovn 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ovn
_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 2ovn "Master copy" parsed_2ovn
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ovn
_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 2ovn.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ovn 1
1 2ovn.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 16 parsed_2ovn 1
1 2ovn.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_2ovn 1
1 2ovn.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ovn 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2ovn
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_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_2ovn 1
2 1 . . . parsed_2ovn 1
3 1 . . . parsed_2ovn 1
4 1 . . . parsed_2ovn 1
5 1 . . . parsed_2ovn 1
6 1 . . . parsed_2ovn 1
7 1 . . . parsed_2ovn 1
8 1 . . . parsed_2ovn 1
9 1 . . . parsed_2ovn 1
10 1 . . . parsed_2ovn 1
11 1 . . . parsed_2ovn 1
12 1 . . . parsed_2ovn 1
13 1 . . . parsed_2ovn 1
14 1 . . . parsed_2ovn 1
15 1 . . . parsed_2ovn 1
16 1 . . . parsed_2ovn 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 . . . . . . . . . 21 . HN parsed_2ovn 1
1 1 2 . . . . . . . . . 17 . O parsed_2ovn 1
2 1 1 . . . . . . . . . 21 . N parsed_2ovn 1
2 1 2 . . . . . . . . . 17 . O parsed_2ovn 1
3 1 1 . . . . . . . . . 22 . HN parsed_2ovn 1
3 1 2 . . . . . . . . . 18 . O parsed_2ovn 1
4 1 1 . . . . . . . . . 22 . N parsed_2ovn 1
4 1 2 . . . . . . . . . 18 . O parsed_2ovn 1
5 1 1 . . . . . . . . . 23 . HN parsed_2ovn 1
5 1 2 . . . . . . . . . 19 . O parsed_2ovn 1
6 1 1 . . . . . . . . . 23 . N parsed_2ovn 1
6 1 2 . . . . . . . . . 19 . O parsed_2ovn 1
7 1 1 . . . . . . . . . 24 . HN parsed_2ovn 1
7 1 2 . . . . . . . . . 20 . O parsed_2ovn 1
8 1 1 . . . . . . . . . 24 . N parsed_2ovn 1
8 1 2 . . . . . . . . . 20 . O parsed_2ovn 1
9 1 1 . . . . . . . . . 25 . HN parsed_2ovn 1
9 1 2 . . . . . . . . . 21 . O parsed_2ovn 1
10 1 1 . . . . . . . . . 25 . N parsed_2ovn 1
10 1 2 . . . . . . . . . 21 . O parsed_2ovn 1
11 1 1 . . . . . . . . . 26 . HN parsed_2ovn 1
11 1 2 . . . . . . . . . 22 . O parsed_2ovn 1
12 1 1 . . . . . . . . . 26 . N parsed_2ovn 1
12 1 2 . . . . . . . . . 22 . O parsed_2ovn 1
13 1 1 . . . . . . . . . 27 . HN parsed_2ovn 1
13 1 2 . . . . . . . . . 23 . O parsed_2ovn 1
14 1 1 . . . . . . . . . 27 . N parsed_2ovn 1
14 1 2 . . . . . . . . . 23 . O parsed_2ovn 1
15 1 1 . . . . . . . . . 28 . HN parsed_2ovn 1
15 1 2 . . . . . . . . . 24 . O parsed_2ovn 1
16 1 1 . . . . . . . . . 28 . N parsed_2ovn 1
16 1 2 . . . . . . . . . 24 . O parsed_2ovn 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 . . . . . 1.5 1.5 2.5 parsed_2ovn 1
2 1 . . . . . 2.5 2.5 3.5 parsed_2ovn 1
3 1 . . . . . 1.5 1.5 2.5 parsed_2ovn 1
4 1 . . . . . 2.5 2.5 3.5 parsed_2ovn 1
5 1 . . . . . 1.5 1.5 2.5 parsed_2ovn 1
6 1 . . . . . 2.5 2.5 3.5 parsed_2ovn 1
7 1 . . . . . 1.5 1.5 2.5 parsed_2ovn 1
8 1 . . . . . 2.5 2.5 3.5 parsed_2ovn 1
9 1 . . . . . 1.5 1.5 2.5 parsed_2ovn 1
10 1 . . . . . 2.5 2.5 3.5 parsed_2ovn 1
11 1 . . . . . 1.5 1.5 2.5 parsed_2ovn 1
12 1 . . . . . 2.5 2.5 3.5 parsed_2ovn 1
13 1 . . . . . 1.5 1.5 2.5 parsed_2ovn 1
14 1 . . . . . 2.5 2.5 3.5 parsed_2ovn 1
15 1 . . . . . 1.5 1.5 2.5 parsed_2ovn 1
16 1 . . . . . 2.5 2.5 3.5 parsed_2ovn 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 N 3 15 3 15 parsed_2ovn 1
2 Y 3 42 3 42 parsed_2ovn 1
3 H-BONDS 1 1 2 10 parsed_2ovn 1
4 N 4 15 4 15 parsed_2ovn 1
5 Y 4 42 4 42 parsed_2ovn 1
6 E 5 15 5 15 parsed_2ovn 1
7 H 5 42 5 42 parsed_2ovn 1
8 E 6 15 6 15 parsed_2ovn 1
9 H 6 42 6 42 parsed_2ovn 1
10 V 7 15 7 15 parsed_2ovn 1
11 L 7 42 7 42 parsed_2ovn 1
12 V 8 15 8 15 parsed_2ovn 1
13 L 8 42 8 42 parsed_2ovn 1
14 A 9 15 9 15 parsed_2ovn 1
15 E 9 42 9 42 parsed_2ovn 1
16 A 10 15 10 15 parsed_2ovn 1
17 E 10 42 10 42 parsed_2ovn 1
18 R 11 15 11 15 parsed_2ovn 1
19 N 11 42 11 42 parsed_2ovn 1
20 R 12 15 12 15 parsed_2ovn 1
21 N 12 42 12 42 parsed_2ovn 1
22 L 13 15 13 15 parsed_2ovn 1
23 E 13 42 13 42 parsed_2ovn 1
24 L 14 15 14 15 parsed_2ovn 1
25 E 14 42 14 42 parsed_2ovn 1
26 K 15 15 15 15 parsed_2ovn 1
27 V 15 42 15 42 parsed_2ovn 1
28 K 16 15 16 15 parsed_2ovn 1
29 V 16 42 16 42 parsed_2ovn 1
30 K 17 15 17 15 parsed_2ovn 1
31 A 17 42 17 42 parsed_2ovn 1
32 K 18 15 18 15 parsed_2ovn 1
33 A 18 42 18 42 parsed_2ovn 1
34
;
assign (resid {L} 29 and name HN )(resid {R} 25 and name O) 1.5 0.0 1.0
assign (resid {L} 29 and name N )(resid {R} 25 and name O) 2.5 0.0 1.0
;
19 1 20 73 parsed_2ovn 1
stop_
save_
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