NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
655577 |
7knv   |
30812 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 50 |
data_7knv_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_7knv
_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_7knv 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_7knv
_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 7knv "Master copy" parsed_7knv
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_7knv
_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 7knv.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_7knv 1
1 7knv.mr . . XPLOR/CNS 2 distance "general distance" simple 13 parsed_7knv 1
1 7knv.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 211 parsed_7knv 1
1 7knv.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 50 parsed_7knv 1
1 7knv.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_7knv 1
1 7knv.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_7knv 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_7knv
_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_7knv 1
2 1 . . . parsed_7knv 1
3 1 . . . parsed_7knv 1
4 1 . . . parsed_7knv 1
5 1 . . . parsed_7knv 1
6 1 . . . parsed_7knv 1
7 1 . . . parsed_7knv 1
8 1 . . . parsed_7knv 1
9 1 . . . parsed_7knv 1
10 1 . . . parsed_7knv 1
11 1 . . . parsed_7knv 1
12 1 . . . parsed_7knv 1
13 1 . . . parsed_7knv 1
14 1 . . . parsed_7knv 1
15 1 . . . parsed_7knv 1
16 1 . . . parsed_7knv 1
17 1 . . . parsed_7knv 1
18 1 . . . parsed_7knv 1
19 1 . . . parsed_7knv 1
20 1 . . . parsed_7knv 1
21 1 . . . parsed_7knv 1
22 1 . . . parsed_7knv 1
23 1 . . . parsed_7knv 1
24 1 . . . parsed_7knv 1
25 1 . . . parsed_7knv 1
26 1 . . . parsed_7knv 1
27 1 . . . parsed_7knv 1
28 1 . . . parsed_7knv 1
29 1 . . . parsed_7knv 1
30 1 . . . parsed_7knv 1
31 1 . . . parsed_7knv 1
32 1 . . . parsed_7knv 1
33 1 . . . parsed_7knv 1
34 1 . . . parsed_7knv 1
35 1 . . . parsed_7knv 1
36 1 . . . parsed_7knv 1
37 1 . . . parsed_7knv 1
38 1 . . . parsed_7knv 1
39 1 . . . parsed_7knv 1
40 1 . . . parsed_7knv 1
41 1 . . . parsed_7knv 1
42 1 . . . parsed_7knv 1
43 1 . . . parsed_7knv 1
44 1 . . . parsed_7knv 1
45 1 . . . parsed_7knv 1
46 1 . . . parsed_7knv 1
47 1 . . . parsed_7knv 1
48 1 . . . parsed_7knv 1
49 1 . . . parsed_7knv 1
50 1 . . . parsed_7knv 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 . . . . . . . . . 23 . HN parsed_7knv 1
1 1 2 . . . . . . . . . 45 . O parsed_7knv 1
2 1 1 . . . . . . . . . 23 . N parsed_7knv 1
2 1 2 . . . . . . . . . 45 . O parsed_7knv 1
3 1 1 . . . . . . . . . 29 . HN parsed_7knv 1
3 1 2 . . . . . . . . . 120 . O parsed_7knv 1
4 1 1 . . . . . . . . . 29 . N parsed_7knv 1
4 1 2 . . . . . . . . . 120 . O parsed_7knv 1
5 1 1 . . . . . . . . . 38 . HN parsed_7knv 1
5 1 2 . . . . . . . . . 86 . O parsed_7knv 1
6 1 1 . . . . . . . . . 38 . N parsed_7knv 1
6 1 2 . . . . . . . . . 86 . O parsed_7knv 1
7 1 1 . . . . . . . . . 41 . HN parsed_7knv 1
7 1 2 . . . . . . . . . 84 . O parsed_7knv 1
8 1 1 . . . . . . . . . 41 . N parsed_7knv 1
8 1 2 . . . . . . . . . 84 . O parsed_7knv 1
9 1 1 . . . . . . . . . 44 . HN parsed_7knv 1
9 1 2 . . . . . . . . . 82 . O parsed_7knv 1
10 1 1 . . . . . . . . . 44 . N parsed_7knv 1
10 1 2 . . . . . . . . . 82 . O parsed_7knv 1
11 1 1 . . . . . . . . . 45 . HN parsed_7knv 1
11 1 2 . . . . . . . . . 23 . O parsed_7knv 1
12 1 1 . . . . . . . . . 45 . N parsed_7knv 1
12 1 2 . . . . . . . . . 23 . O parsed_7knv 1
13 1 1 . . . . . . . . . 46 . HN parsed_7knv 1
13 1 2 . . . . . . . . . 80 . O parsed_7knv 1
14 1 1 . . . . . . . . . 46 . N parsed_7knv 1
14 1 2 . . . . . . . . . 80 . O parsed_7knv 1
15 1 1 . . . . . . . . . 61 . HN parsed_7knv 1
15 1 2 . . . . . . . . . 106 . O parsed_7knv 1
16 1 1 . . . . . . . . . 61 . N parsed_7knv 1
16 1 2 . . . . . . . . . 106 . O parsed_7knv 1
17 1 1 . . . . . . . . . 64 . HN parsed_7knv 1
17 1 2 . . . . . . . . . 104 . O parsed_7knv 1
18 1 1 . . . . . . . . . 64 . N parsed_7knv 1
18 1 2 . . . . . . . . . 104 . O parsed_7knv 1
19 1 1 . . . . . . . . . 73 . HN parsed_7knv 1
19 1 2 . . . . . . . . . 85 . O parsed_7knv 1
20 1 1 . . . . . . . . . 73 . N parsed_7knv 1
20 1 2 . . . . . . . . . 85 . O parsed_7knv 1
21 1 1 . . . . . . . . . 77 . HN parsed_7knv 1
21 1 2 . . . . . . . . . 81 . O parsed_7knv 1
22 1 1 . . . . . . . . . 77 . N parsed_7knv 1
22 1 2 . . . . . . . . . 81 . O parsed_7knv 1
23 1 1 . . . . . . . . . 82 . HN parsed_7knv 1
23 1 2 . . . . . . . . . 44 . O parsed_7knv 1
24 1 1 . . . . . . . . . 82 . N parsed_7knv 1
24 1 2 . . . . . . . . . 44 . O parsed_7knv 1
25 1 1 . . . . . . . . . 83 . HN parsed_7knv 1
25 1 2 . . . . . . . . . 75 . O parsed_7knv 1
26 1 1 . . . . . . . . . 83 . N parsed_7knv 1
26 1 2 . . . . . . . . . 75 . O parsed_7knv 1
27 1 1 . . . . . . . . . 84 . HN parsed_7knv 1
27 1 2 . . . . . . . . . 42 . O parsed_7knv 1
28 1 1 . . . . . . . . . 84 . N parsed_7knv 1
28 1 2 . . . . . . . . . 42 . O parsed_7knv 1
29 1 1 . . . . . . . . . 85 . HN parsed_7knv 1
29 1 2 . . . . . . . . . 73 . O parsed_7knv 1
30 1 1 . . . . . . . . . 85 . N parsed_7knv 1
30 1 2 . . . . . . . . . 73 . O parsed_7knv 1
31 1 1 . . . . . . . . . 86 . HN parsed_7knv 1
31 1 2 . . . . . . . . . 39 . O parsed_7knv 1
32 1 1 . . . . . . . . . 86 . N parsed_7knv 1
32 1 2 . . . . . . . . . 39 . O parsed_7knv 1
33 1 1 . . . . . . . . . 101 . HN parsed_7knv 1
33 1 2 . . . . . . . . . 121 . O parsed_7knv 1
34 1 1 . . . . . . . . . 101 . N parsed_7knv 1
34 1 2 . . . . . . . . . 121 . O parsed_7knv 1
35 1 1 . . . . . . . . . 104 . HN parsed_7knv 1
35 1 2 . . . . . . . . . 64 . O parsed_7knv 1
36 1 1 . . . . . . . . . 104 . N parsed_7knv 1
36 1 2 . . . . . . . . . 64 . O parsed_7knv 1
37 1 1 . . . . . . . . . 106 . HN parsed_7knv 1
37 1 2 . . . . . . . . . 61 . O parsed_7knv 1
38 1 1 . . . . . . . . . 106 . N parsed_7knv 1
38 1 2 . . . . . . . . . 61 . O parsed_7knv 1
39 1 1 . . . . . . . . . 107 . HN parsed_7knv 1
39 1 2 . . . . . . . . . 115 . O parsed_7knv 1
40 1 1 . . . . . . . . . 107 . N parsed_7knv 1
40 1 2 . . . . . . . . . 115 . O parsed_7knv 1
41 1 1 . . . . . . . . . 115 . HN parsed_7knv 1
41 1 2 . . . . . . . . . 107 . O parsed_7knv 1
42 1 1 . . . . . . . . . 115 . N parsed_7knv 1
42 1 2 . . . . . . . . . 107 . O parsed_7knv 1
43 1 1 . . . . . . . . . 117 . HN parsed_7knv 1
43 1 2 . . . . . . . . . 105 . O parsed_7knv 1
44 1 1 . . . . . . . . . 117 . N parsed_7knv 1
44 1 2 . . . . . . . . . 105 . O parsed_7knv 1
45 1 1 . . . . . . . . . 120 . HN parsed_7knv 1
45 1 2 . . . . . . . . . 27 . O parsed_7knv 1
46 1 1 . . . . . . . . . 120 . N parsed_7knv 1
46 1 2 . . . . . . . . . 27 . O parsed_7knv 1
47 1 1 . . . . . . . . . 122 . HN parsed_7knv 1
47 1 2 . . . . . . . . . 29 . O parsed_7knv 1
48 1 1 . . . . . . . . . 122 . N parsed_7knv 1
48 1 2 . . . . . . . . . 29 . O parsed_7knv 1
49 1 1 . . . . . . . . . 123 . HN parsed_7knv 1
49 1 2 . . . . . . . . . 99 . O parsed_7knv 1
50 1 1 . . . . . . . . . 123 . N parsed_7knv 1
50 1 2 . . . . . . . . . 99 . O parsed_7knv 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 . . . . . 2.0 1.7 2.3 parsed_7knv 1
2 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
3 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
4 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
5 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
6 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
7 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
8 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
9 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
10 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
11 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
12 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
13 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
14 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
15 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
16 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
17 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
18 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
19 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
20 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
21 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
22 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
23 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
24 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
25 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
26 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
27 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
28 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
29 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
30 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
31 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
32 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
33 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
34 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
35 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
36 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
37 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
38 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
39 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
40 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
41 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
42 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
43 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
44 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
45 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
46 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
47 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
48 1 . . . . . 3.0 2.7 3.3 parsed_7knv 1
49 1 . . . . . 2.0 1.7 2.3 parsed_7knv 1
50 1 . . . . . 3.0 2.7 3.3 parsed_7knv 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 3: hbda_renumbered.tbl" 1 1 1 40 parsed_7knv 1
2 "assign ( resid 23 and name N ) ( resid 23 and name HN ) ( resid 45 and name O )" 2 1 2 85 parsed_7knv 1
3 "assign ( resid 29 and name N ) ( resid 29 and name HN ) ( resid 120 and name O )" 3 1 3 85 parsed_7knv 1
4 "assign ( resid 38 and name N ) ( resid 38 and name HN ) ( resid 86 and name O )" 4 1 4 85 parsed_7knv 1
5 "assign ( resid 41 and name N ) ( resid 41 and name HN ) ( resid 84 and name O )" 5 1 5 85 parsed_7knv 1
6 "assign ( resid 44 and name N ) ( resid 44 and name HN ) ( resid 82 and name O )" 6 1 6 85 parsed_7knv 1
7 "assign ( resid 45 and name N ) ( resid 45 and name HN ) ( resid 23 and name O )" 7 1 7 85 parsed_7knv 1
8 "assign ( resid 46 and name N ) ( resid 46 and name HN ) ( resid 80 and name O )" 8 1 8 85 parsed_7knv 1
9 "assign ( resid 61 and name N ) ( resid 61 and name HN ) ( resid 106 and name O )" 9 1 9 85 parsed_7knv 1
10 "assign ( resid 64 and name N ) ( resid 64 and name HN ) ( resid 104 and name O )" 10 1 10 85 parsed_7knv 1
11 "assign ( resid 73 and name N ) ( resid 73 and name HN ) ( resid 85 and name O )" 11 1 11 85 parsed_7knv 1
12 "assign ( resid 77 and name N ) ( resid 77 and name HN ) ( resid 81 and name O )" 12 1 12 85 parsed_7knv 1
13 "assign ( resid 82 and name N ) ( resid 82 and name HN ) ( resid 44 and name O )" 13 1 13 85 parsed_7knv 1
14 "assign ( resid 83 and name N ) ( resid 83 and name HN ) ( resid 75 and name O )" 14 1 14 85 parsed_7knv 1
15 "assign ( resid 84 and name N ) ( resid 84 and name HN ) ( resid 42 and name O )" 15 1 15 85 parsed_7knv 1
16 "assign ( resid 85 and name N ) ( resid 85 and name HN ) ( resid 73 and name O )" 16 1 16 85 parsed_7knv 1
17 "assign ( resid 86 and name N ) ( resid 86 and name HN ) ( resid 39 and name O )" 17 1 17 85 parsed_7knv 1
18 "assign ( resid 101 and name N ) ( resid 101 and name HN ) ( resid 121 and name O )" 18 1 18 85 parsed_7knv 1
19 "assign ( resid 104 and name N ) ( resid 104 and name HN ) ( resid 64 and name O )" 19 1 19 85 parsed_7knv 1
20 "assign ( resid 106 and name N ) ( resid 106 and name HN ) ( resid 61 and name O )" 20 1 20 85 parsed_7knv 1
21 "assign ( resid 107 and name N ) ( resid 107 and name HN ) ( resid 115 and name O )" 21 1 21 85 parsed_7knv 1
22 "assign ( resid 115 and name N ) ( resid 115 and name HN ) ( resid 107 and name O )" 22 1 22 85 parsed_7knv 1
23 "assign ( resid 117 and name N ) ( resid 117 and name HN ) ( resid 105 and name O )" 23 1 23 85 parsed_7knv 1
24 "assign ( resid 120 and name N ) ( resid 120 and name HN ) ( resid 27 and name O )" 24 1 24 85 parsed_7knv 1
25 "assign ( resid 122 and name N ) ( resid 122 and name HN ) ( resid 29 and name O )" 25 1 25 85 parsed_7knv 1
26
;
assign ( resid 123 and name N ) ( resid 123 and name HN ) ( resid 99 and name O )
# Restraints file 4: hbond_renumbered.tbl
;
26 1 27 41 parsed_7knv 1
stop_
save_
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