NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
649613 |
6kg9   |
cing | 2-parsed | STAR | distance | hydrogen bond | simple | 38 |
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" 112 parsed_6kg9 1
1 6kg9.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 38 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_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6kg9
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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 . . . 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 . . . parsed_6kg9 1
10 1 . . . parsed_6kg9 1
11 1 . . . parsed_6kg9 1
12 1 . . . parsed_6kg9 1
13 1 . . . parsed_6kg9 1
14 1 . . . parsed_6kg9 1
15 1 . . . parsed_6kg9 1
16 1 . . . parsed_6kg9 1
17 1 . . . parsed_6kg9 1
18 1 . . . parsed_6kg9 1
19 1 . . . parsed_6kg9 1
20 1 . . . parsed_6kg9 1
21 1 . . . parsed_6kg9 1
22 1 . . . parsed_6kg9 1
23 1 . . . parsed_6kg9 1
24 1 . . . parsed_6kg9 1
25 1 . . . parsed_6kg9 1
26 1 . . . parsed_6kg9 1
27 1 . . . parsed_6kg9 1
28 1 . . . parsed_6kg9 1
29 1 . . . parsed_6kg9 1
30 1 . . . parsed_6kg9 1
31 1 . . . parsed_6kg9 1
32 1 . . . parsed_6kg9 1
33 1 . . . parsed_6kg9 1
34 1 . . . parsed_6kg9 1
35 1 . . . parsed_6kg9 1
36 1 . . . parsed_6kg9 1
37 1 . . . parsed_6kg9 1
38 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 . . . . . . . . . 19 . HN parsed_6kg9 1
1 1 2 . . . . . . . . . 15 . O parsed_6kg9 1
2 1 1 . . . . . . . . . 19 . N parsed_6kg9 1
2 1 2 . . . . . . . . . 15 . O parsed_6kg9 1
3 1 1 . . . . . . . . . 20 . HN parsed_6kg9 1
3 1 2 . . . . . . . . . 16 . O parsed_6kg9 1
4 1 1 . . . . . . . . . 20 . N parsed_6kg9 1
4 1 2 . . . . . . . . . 16 . O parsed_6kg9 1
5 1 1 . . . . . . . . . 21 . HN parsed_6kg9 1
5 1 2 . . . . . . . . . 17 . O parsed_6kg9 1
6 1 1 . . . . . . . . . 21 . N parsed_6kg9 1
6 1 2 . . . . . . . . . 17 . O parsed_6kg9 1
7 1 1 . . . . . . . . . 22 . HN parsed_6kg9 1
7 1 2 . . . . . . . . . 18 . O parsed_6kg9 1
8 1 1 . . . . . . . . . 22 . N parsed_6kg9 1
8 1 2 . . . . . . . . . 18 . O parsed_6kg9 1
9 1 1 . . . . . . . . . 23 . HN parsed_6kg9 1
9 1 2 . . . . . . . . . 19 . O parsed_6kg9 1
10 1 1 . . . . . . . . . 23 . N parsed_6kg9 1
10 1 2 . . . . . . . . . 19 . O parsed_6kg9 1
11 1 1 . . . . . . . . . 24 . HN parsed_6kg9 1
11 1 2 . . . . . . . . . 20 . O parsed_6kg9 1
12 1 1 . . . . . . . . . 24 . N parsed_6kg9 1
12 1 2 . . . . . . . . . 20 . O parsed_6kg9 1
13 1 1 . . . . . . . . . 25 . HN parsed_6kg9 1
13 1 2 . . . . . . . . . 21 . O parsed_6kg9 1
14 1 1 . . . . . . . . . 25 . N parsed_6kg9 1
14 1 2 . . . . . . . . . 21 . O parsed_6kg9 1
15 1 1 . . . . . . . . . 26 . HN parsed_6kg9 1
15 1 2 . . . . . . . . . 22 . O parsed_6kg9 1
16 1 1 . . . . . . . . . 26 . N parsed_6kg9 1
16 1 2 . . . . . . . . . 22 . O parsed_6kg9 1
17 1 1 . . . . . . . . . 51 . HN parsed_6kg9 1
17 1 2 . . . . . . . . . 47 . O parsed_6kg9 1
18 1 1 . . . . . . . . . 51 . N parsed_6kg9 1
18 1 2 . . . . . . . . . 47 . O parsed_6kg9 1
19 1 1 . . . . . . . . . 52 . HN parsed_6kg9 1
19 1 2 . . . . . . . . . 48 . O parsed_6kg9 1
20 1 1 . . . . . . . . . 52 . N parsed_6kg9 1
20 1 2 . . . . . . . . . 48 . O parsed_6kg9 1
21 1 1 . . . . . . . . . 53 . HN parsed_6kg9 1
21 1 2 . . . . . . . . . 49 . O parsed_6kg9 1
22 1 1 . . . . . . . . . 53 . N parsed_6kg9 1
22 1 2 . . . . . . . . . 49 . O parsed_6kg9 1
23 1 1 . . . . . . . . . 54 . HN parsed_6kg9 1
23 1 2 . . . . . . . . . 50 . O parsed_6kg9 1
24 1 1 . . . . . . . . . 54 . N parsed_6kg9 1
24 1 2 . . . . . . . . . 50 . O parsed_6kg9 1
25 1 1 . . . . . . . . . 55 . HN parsed_6kg9 1
25 1 2 . . . . . . . . . 51 . O parsed_6kg9 1
26 1 1 . . . . . . . . . 55 . N parsed_6kg9 1
26 1 2 . . . . . . . . . 51 . O parsed_6kg9 1
27 1 1 . . . . . . . . . 56 . HN parsed_6kg9 1
27 1 2 . . . . . . . . . 52 . O parsed_6kg9 1
28 1 1 . . . . . . . . . 56 . N parsed_6kg9 1
28 1 2 . . . . . . . . . 52 . O parsed_6kg9 1
29 1 1 . . . . . . . . . 57 . HN parsed_6kg9 1
29 1 2 . . . . . . . . . 53 . O parsed_6kg9 1
30 1 1 . . . . . . . . . 57 . N parsed_6kg9 1
30 1 2 . . . . . . . . . 53 . O parsed_6kg9 1
31 1 1 . . . . . . . . . 58 . HN parsed_6kg9 1
31 1 2 . . . . . . . . . 54 . O parsed_6kg9 1
32 1 1 . . . . . . . . . 58 . N parsed_6kg9 1
32 1 2 . . . . . . . . . 54 . O parsed_6kg9 1
33 1 1 . . . . . . . . . 59 . HN parsed_6kg9 1
33 1 2 . . . . . . . . . 55 . O parsed_6kg9 1
34 1 1 . . . . . . . . . 59 . N parsed_6kg9 1
34 1 2 . . . . . . . . . 55 . O parsed_6kg9 1
35 1 1 . . . . . . . . . 60 . HN parsed_6kg9 1
35 1 2 . . . . . . . . . 56 . O parsed_6kg9 1
36 1 1 . . . . . . . . . 60 . N parsed_6kg9 1
36 1 2 . . . . . . . . . 56 . O parsed_6kg9 1
37 1 1 . . . . . . . . . 61 . HN parsed_6kg9 1
37 1 2 . . . . . . . . . 57 . O parsed_6kg9 1
38 1 1 . . . . . . . . . 61 . N parsed_6kg9 1
38 1 2 . . . . . . . . . 57 . O 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 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
2 1 . . . . . 3.00 2.50 3.50 parsed_6kg9 1
3 1 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
4 1 . . . . . 3.00 2.50 3.50 parsed_6kg9 1
5 1 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
6 1 . . . . . 3.00 2.50 3.50 parsed_6kg9 1
7 1 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
8 1 . . . . . 3.00 2.50 3.50 parsed_6kg9 1
9 1 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
10 1 . . . . . 3.00 2.50 3.50 parsed_6kg9 1
11 1 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
12 1 . . . . . 3.00 2.50 3.50 parsed_6kg9 1
13 1 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
14 1 . . . . . 3.00 2.50 3.50 parsed_6kg9 1
15 1 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
16 1 . . . . . 3.00 2.50 3.50 parsed_6kg9 1
17 1 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
18 1 . . . . . 3.00 2.50 3.50 parsed_6kg9 1
19 1 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
20 1 . . . . . 3.00 2.50 3.50 parsed_6kg9 1
21 1 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
22 1 . . . . . 3.00 2.50 3.50 parsed_6kg9 1
23 1 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
24 1 . . . . . 3.00 2.50 3.50 parsed_6kg9 1
25 1 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
26 1 . . . . . 3.00 2.50 3.50 parsed_6kg9 1
27 1 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
28 1 . . . . . 3.00 2.50 3.50 parsed_6kg9 1
29 1 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
30 1 . . . . . 3.00 2.50 3.50 parsed_6kg9 1
31 1 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
32 1 . . . . . 3.00 2.50 3.50 parsed_6kg9 1
33 1 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
34 1 . . . . . 3.00 2.50 3.50 parsed_6kg9 1
35 1 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
36 1 . . . . . 3.00 2.50 3.50 parsed_6kg9 1
37 1 . . . . . 2.00 1.50 2.50 parsed_6kg9 1
38 1 . . . . . 3.00 2.50 3.50 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 H-bond 2 77 2 85 parsed_6kg9 1
2 H-bond 3 77 3 85 parsed_6kg9 1
3 H-bond 4 77 4 85 parsed_6kg9 1
4 H-bond 5 77 5 85 parsed_6kg9 1
5 H-bond 6 77 6 85 parsed_6kg9 1
6 H-bond 7 77 7 85 parsed_6kg9 1
7 H-bond 8 77 8 85 parsed_6kg9 1
8 H-bond 9 77 9 85 parsed_6kg9 1
9 H-bond 10 77 10 85 parsed_6kg9 1
10 H-bond 11 77 11 85 parsed_6kg9 1
11 H-bond 12 77 12 85 parsed_6kg9 1
12 H-bond 13 77 13 85 parsed_6kg9 1
13 H-bond 14 77 14 85 parsed_6kg9 1
14 H-bond 15 77 15 85 parsed_6kg9 1
15 H-bond 16 77 16 85 parsed_6kg9 1
16 H-bond 17 77 17 85 parsed_6kg9 1
17 H-bond 19 77 19 85 parsed_6kg9 1
18 H-bond 20 77 20 85 parsed_6kg9 1
19 H-bond 21 77 21 85 parsed_6kg9 1
20 H-bond 22 77 22 85 parsed_6kg9 1
21 H-bond 23 77 23 85 parsed_6kg9 1
22 H-bond 24 77 24 85 parsed_6kg9 1
23 H-bond 25 77 25 85 parsed_6kg9 1
24 H-bond 26 77 26 85 parsed_6kg9 1
25 H-bond 27 77 27 85 parsed_6kg9 1
26 H-bond 28 77 28 85 parsed_6kg9 1
27 H-bond 29 77 29 85 parsed_6kg9 1
28 H-bond 30 77 30 85 parsed_6kg9 1
29 H-bond 31 77 31 85 parsed_6kg9 1
30 H-bond 32 77 32 85 parsed_6kg9 1
31 H-bond 33 77 33 85 parsed_6kg9 1
32 H-bond 34 77 34 85 parsed_6kg9 1
33 H-bond 35 77 35 85 parsed_6kg9 1
34 H-bond 36 77 36 85 parsed_6kg9 1
35 H-bond 37 77 37 85 parsed_6kg9 1
36 H-bond 38 77 38 85 parsed_6kg9 1
37 H-bond 39 77 39 85 parsed_6kg9 1
38 H-bond 40 77 40 85 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 4: hbond.tbl" 1 1 1 30 parsed_6kg9 1
stop_
save_
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