NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
638976 |
6ac7   |
cing | 2-parsed | STAR | distance | hydrogen bond | ambi | 53 |
data_6ac7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6ac7
_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_6ac7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6ac7
_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 6ac7 "Master copy" parsed_6ac7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6ac7
_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 6ac7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ac7 1
1 6ac7.mr . . XPLOR/CNS 2 distance NOE simple 2 parsed_6ac7 1
1 6ac7.mr . . XPLOR/CNS 3 distance "hydrogen bond" ambi 53 parsed_6ac7 1
1 6ac7.mr . . XPLOR/CNS 4 planarity "Not applicable" "Not applicable" 0 parsed_6ac7 1
1 6ac7.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_6ac7 1
1 6ac7.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6ac7 1
1 6ac7.mr . . XPLOR/CNS 7 distance NOE simple 0 parsed_6ac7 1
1 6ac7.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ac7 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6ac7
_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_6ac7 1
2 1 . . . parsed_6ac7 1
3 1 . . . parsed_6ac7 1
4 1 . . . parsed_6ac7 1
5 1 2 . OR parsed_6ac7 1
5 2 . 3 . parsed_6ac7 1
5 3 . 4 . parsed_6ac7 1
5 4 . . . parsed_6ac7 1
6 1 . . . parsed_6ac7 1
7 1 . . . parsed_6ac7 1
8 1 . . . parsed_6ac7 1
9 1 . . . parsed_6ac7 1
10 1 . . . parsed_6ac7 1
11 1 . . . parsed_6ac7 1
12 1 . . . parsed_6ac7 1
13 1 . . . parsed_6ac7 1
14 1 . . . parsed_6ac7 1
15 1 . . . parsed_6ac7 1
16 1 . . . parsed_6ac7 1
17 1 . . . parsed_6ac7 1
18 1 . . . parsed_6ac7 1
19 1 . . . parsed_6ac7 1
20 1 . . . parsed_6ac7 1
21 1 . . . parsed_6ac7 1
22 1 . . . parsed_6ac7 1
23 1 . . . parsed_6ac7 1
24 1 . . . parsed_6ac7 1
25 1 . . . parsed_6ac7 1
26 1 . . . parsed_6ac7 1
27 1 . . . parsed_6ac7 1
28 1 . . . parsed_6ac7 1
29 1 . . . parsed_6ac7 1
30 1 . . . parsed_6ac7 1
31 1 . . . parsed_6ac7 1
32 1 . . . parsed_6ac7 1
33 1 . . . parsed_6ac7 1
34 1 . . . parsed_6ac7 1
35 1 . . . parsed_6ac7 1
36 1 . . . parsed_6ac7 1
37 1 . . . parsed_6ac7 1
38 1 . . . parsed_6ac7 1
39 1 . . . parsed_6ac7 1
40 1 . . . parsed_6ac7 1
41 1 . . . parsed_6ac7 1
42 1 . . . parsed_6ac7 1
43 1 . . . parsed_6ac7 1
44 1 . . . parsed_6ac7 1
45 1 . . . parsed_6ac7 1
46 1 . . . parsed_6ac7 1
47 1 . . . parsed_6ac7 1
48 1 . . . parsed_6ac7 1
49 1 . . . parsed_6ac7 1
50 1 . . . parsed_6ac7 1
51 1 . . . parsed_6ac7 1
52 1 . . . parsed_6ac7 1
53 1 . . . parsed_6ac7 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 . . . . . . . . DNA1 14 . H21 parsed_6ac7 1
1 1 2 . . . . . . . . DNA1 2 . O6 parsed_6ac7 1
2 1 1 . . . . . . . . DNA1 14 . N2 parsed_6ac7 1
2 1 2 . . . . . . . . DNA1 2 . O6 parsed_6ac7 1
3 1 1 . . . . . . . . DNA1 14 . H1 parsed_6ac7 1
3 1 2 . . . . . . . . DNA1 2 . N7 parsed_6ac7 1
4 1 1 . . . . . . . . DNA1 14 . N1 parsed_6ac7 1
4 1 2 . . . . . . . . DNA1 2 . N7 parsed_6ac7 1
5 2 1 . . . . . . . . DNA1 2 . H1 parsed_6ac7 1
5 2 2 . . . . . . . . DNA1 20 . O4 parsed_6ac7 1
5 3 1 . . . . . . . . DNA1 2 . H1 parsed_6ac7 1
5 3 2 . . . . . . . . DNA1 20 . O2 parsed_6ac7 1
5 4 1 . . . . . . . . DNA1 2 . H1 parsed_6ac7 1
5 4 2 . . . . . . . . DNA1 20 . O4' parsed_6ac7 1
6 1 1 . . . . . . . . DNA1 3 . H21 parsed_6ac7 1
6 1 2 . . . . . . . . DNA1 21 . N7 parsed_6ac7 1
7 1 1 . . . . . . . . DNA1 3 . N2 parsed_6ac7 1
7 1 2 . . . . . . . . DNA1 21 . N7 parsed_6ac7 1
8 1 1 . . . . . . . . DNA1 3 . H1 parsed_6ac7 1
8 1 2 . . . . . . . . DNA1 21 . O6 parsed_6ac7 1
9 1 1 . . . . . . . . DNA1 3 . N1 parsed_6ac7 1
9 1 2 . . . . . . . . DNA1 21 . O6 parsed_6ac7 1
10 1 1 . . . . . . . . DNA1 21 . H21 parsed_6ac7 1
10 1 2 . . . . . . . . DNA1 15 . N7 parsed_6ac7 1
11 1 1 . . . . . . . . DNA1 21 . N2 parsed_6ac7 1
11 1 2 . . . . . . . . DNA1 15 . N7 parsed_6ac7 1
12 1 1 . . . . . . . . DNA1 21 . H1 parsed_6ac7 1
12 1 2 . . . . . . . . DNA1 15 . O6 parsed_6ac7 1
13 1 1 . . . . . . . . DNA1 21 . N1 parsed_6ac7 1
13 1 2 . . . . . . . . DNA1 15 . O6 parsed_6ac7 1
14 1 1 . . . . . . . . DNA1 15 . H21 parsed_6ac7 1
14 1 2 . . . . . . . . DNA1 12 . N7 parsed_6ac7 1
15 1 1 . . . . . . . . DNA1 15 . N2 parsed_6ac7 1
15 1 2 . . . . . . . . DNA1 12 . N7 parsed_6ac7 1
16 1 1 . . . . . . . . DNA1 15 . H1 parsed_6ac7 1
16 1 2 . . . . . . . . DNA1 12 . O6 parsed_6ac7 1
17 1 1 . . . . . . . . DNA1 15 . N1 parsed_6ac7 1
17 1 2 . . . . . . . . DNA1 12 . O6 parsed_6ac7 1
18 1 1 . . . . . . . . DNA1 12 . H21 parsed_6ac7 1
18 1 2 . . . . . . . . DNA1 3 . N7 parsed_6ac7 1
19 1 1 . . . . . . . . DNA1 12 . N2 parsed_6ac7 1
19 1 2 . . . . . . . . DNA1 3 . N7 parsed_6ac7 1
20 1 1 . . . . . . . . DNA1 12 . H1 parsed_6ac7 1
20 1 2 . . . . . . . . DNA1 3 . O6 parsed_6ac7 1
21 1 1 . . . . . . . . DNA1 12 . N1 parsed_6ac7 1
21 1 2 . . . . . . . . DNA1 3 . O6 parsed_6ac7 1
22 1 1 . . . . . . . . DNA1 4 . H21 parsed_6ac7 1
22 1 2 . . . . . . . . DNA1 11 . N7 parsed_6ac7 1
23 1 1 . . . . . . . . DNA1 4 . N2 parsed_6ac7 1
23 1 2 . . . . . . . . DNA1 11 . N7 parsed_6ac7 1
24 1 1 . . . . . . . . DNA1 4 . H1 parsed_6ac7 1
24 1 2 . . . . . . . . DNA1 11 . O6 parsed_6ac7 1
25 1 1 . . . . . . . . DNA1 4 . N1 parsed_6ac7 1
25 1 2 . . . . . . . . DNA1 11 . O6 parsed_6ac7 1
26 1 1 . . . . . . . . DNA1 11 . H21 parsed_6ac7 1
26 1 2 . . . . . . . . DNA1 16 . N7 parsed_6ac7 1
27 1 1 . . . . . . . . DNA1 11 . N2 parsed_6ac7 1
27 1 2 . . . . . . . . DNA1 16 . N7 parsed_6ac7 1
28 1 1 . . . . . . . . DNA1 11 . H1 parsed_6ac7 1
28 1 2 . . . . . . . . DNA1 16 . O6 parsed_6ac7 1
29 1 1 . . . . . . . . DNA1 11 . N1 parsed_6ac7 1
29 1 2 . . . . . . . . DNA1 16 . O6 parsed_6ac7 1
30 1 1 . . . . . . . . DNA1 16 . H21 parsed_6ac7 1
30 1 2 . . . . . . . . DNA1 22 . N7 parsed_6ac7 1
31 1 1 . . . . . . . . DNA1 16 . N2 parsed_6ac7 1
31 1 2 . . . . . . . . DNA1 22 . N7 parsed_6ac7 1
32 1 1 . . . . . . . . DNA1 16 . H1 parsed_6ac7 1
32 1 2 . . . . . . . . DNA1 22 . O6 parsed_6ac7 1
33 1 1 . . . . . . . . DNA1 16 . N1 parsed_6ac7 1
33 1 2 . . . . . . . . DNA1 22 . O6 parsed_6ac7 1
34 1 1 . . . . . . . . DNA1 22 . H21 parsed_6ac7 1
34 1 2 . . . . . . . . DNA1 4 . N7 parsed_6ac7 1
35 1 1 . . . . . . . . DNA1 22 . N2 parsed_6ac7 1
35 1 2 . . . . . . . . DNA1 4 . N7 parsed_6ac7 1
36 1 1 . . . . . . . . DNA1 22 . H1 parsed_6ac7 1
36 1 2 . . . . . . . . DNA1 4 . O6 parsed_6ac7 1
37 1 1 . . . . . . . . DNA1 22 . N1 parsed_6ac7 1
37 1 2 . . . . . . . . DNA1 4 . O6 parsed_6ac7 1
38 1 1 . . . . . . . . DNA1 5 . H21 parsed_6ac7 1
38 1 2 . . . . . . . . DNA1 9 . N7 parsed_6ac7 1
39 1 1 . . . . . . . . DNA1 5 . N2 parsed_6ac7 1
39 1 2 . . . . . . . . DNA1 9 . N7 parsed_6ac7 1
40 1 1 . . . . . . . . DNA1 5 . H1 parsed_6ac7 1
40 1 2 . . . . . . . . DNA1 9 . O6 parsed_6ac7 1
41 1 1 . . . . . . . . DNA1 5 . N1 parsed_6ac7 1
41 1 2 . . . . . . . . DNA1 9 . O6 parsed_6ac7 1
42 1 1 . . . . . . . . DNA1 9 . H21 parsed_6ac7 1
42 1 2 . . . . . . . . DNA1 17 . N7 parsed_6ac7 1
43 1 1 . . . . . . . . DNA1 9 . N2 parsed_6ac7 1
43 1 2 . . . . . . . . DNA1 17 . N7 parsed_6ac7 1
44 1 1 . . . . . . . . DNA1 9 . H1 parsed_6ac7 1
44 1 2 . . . . . . . . DNA1 17 . O6 parsed_6ac7 1
45 1 1 . . . . . . . . DNA1 9 . N1 parsed_6ac7 1
45 1 2 . . . . . . . . DNA1 17 . O6 parsed_6ac7 1
46 1 1 . . . . . . . . DNA1 17 . H21 parsed_6ac7 1
46 1 2 . . . . . . . . DNA1 23 . N7 parsed_6ac7 1
47 1 1 . . . . . . . . DNA1 17 . N2 parsed_6ac7 1
47 1 2 . . . . . . . . DNA1 23 . N7 parsed_6ac7 1
48 1 1 . . . . . . . . DNA1 17 . H1 parsed_6ac7 1
48 1 2 . . . . . . . . DNA1 23 . O6 parsed_6ac7 1
49 1 1 . . . . . . . . DNA1 17 . N1 parsed_6ac7 1
49 1 2 . . . . . . . . DNA1 23 . O6 parsed_6ac7 1
50 1 1 . . . . . . . . DNA1 23 . H21 parsed_6ac7 1
50 1 2 . . . . . . . . DNA1 5 . N7 parsed_6ac7 1
51 1 1 . . . . . . . . DNA1 23 . N2 parsed_6ac7 1
51 1 2 . . . . . . . . DNA1 5 . N7 parsed_6ac7 1
52 1 1 . . . . . . . . DNA1 23 . H1 parsed_6ac7 1
52 1 2 . . . . . . . . DNA1 5 . O6 parsed_6ac7 1
53 1 1 . . . . . . . . DNA1 23 . N1 parsed_6ac7 1
53 1 2 . . . . . . . . DNA1 5 . O6 parsed_6ac7 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 1.80 2.20 parsed_6ac7 1
2 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
3 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
4 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
5 2 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
5 3 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
5 4 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
6 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
7 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
8 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
9 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
10 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
11 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
12 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
13 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
14 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
15 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
16 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
17 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
18 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
19 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
20 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
21 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
22 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
23 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
24 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
25 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
26 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
27 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
28 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
29 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
30 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
31 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
32 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
33 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
34 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
35 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
36 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
37 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
38 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
39 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
40 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
41 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
42 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
43 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
44 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
45 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
46 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
47 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
48 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
49 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
50 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
51 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 1
52 1 . . . . . 2.00 1.80 2.20 parsed_6ac7 1
53 1 . . . . . 2.90 2.60 3.20 parsed_6ac7 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 echo=false 2 1 2 18 parsed_6ac7 1
2
;
G14 G2
===================
;
4 1 5 22 parsed_6ac7 1
3
;
T20 G2
===================
;
17 1 18 22 parsed_6ac7 1
4
;
G3 G21 G15 G12
===================
;
28 1 29 22 parsed_6ac7 1
5
;
G4 G11 G16 G22
====================
;
72 1 73 23 parsed_6ac7 1
6
;
G5 G9 G17 G23
====================
;
115 1 116 23 parsed_6ac7 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 2: submit-hbond.tbl" 1 1 1 37 parsed_6ac7 1
stop_
save_
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