NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
637772 |
6ivs   |
36220 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 42 |
data_6ivs_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6ivs
_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_6ivs 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6ivs
_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 6ivs "Master copy" parsed_6ivs
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6ivs
_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 6ivs.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ivs 1
1 6ivs.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 42 parsed_6ivs 1
1 6ivs.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_6ivs 1
1 6ivs.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6ivs 1
1 6ivs.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ivs 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6ivs
_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_6ivs 1
2 1 . . . parsed_6ivs 1
3 1 . . . parsed_6ivs 1
4 1 . . . parsed_6ivs 1
5 1 . . . parsed_6ivs 1
6 1 . . . parsed_6ivs 1
7 1 . . . parsed_6ivs 1
8 1 . . . parsed_6ivs 1
9 1 . . . parsed_6ivs 1
10 1 . . . parsed_6ivs 1
11 1 . . . parsed_6ivs 1
12 1 . . . parsed_6ivs 1
13 1 . . . parsed_6ivs 1
14 1 . . . parsed_6ivs 1
15 1 . . . parsed_6ivs 1
16 1 . . . parsed_6ivs 1
17 1 . . . parsed_6ivs 1
18 1 . . . parsed_6ivs 1
19 1 . . . parsed_6ivs 1
20 1 . . . parsed_6ivs 1
21 1 . . . parsed_6ivs 1
22 1 . . . parsed_6ivs 1
23 1 . . . parsed_6ivs 1
24 1 . . . parsed_6ivs 1
25 1 . . . parsed_6ivs 1
26 1 . . . parsed_6ivs 1
27 1 . . . parsed_6ivs 1
28 1 . . . parsed_6ivs 1
29 1 . . . parsed_6ivs 1
30 1 . . . parsed_6ivs 1
31 1 . . . parsed_6ivs 1
32 1 . . . parsed_6ivs 1
33 1 . . . parsed_6ivs 1
34 1 . . . parsed_6ivs 1
35 1 . . . parsed_6ivs 1
36 1 . . . parsed_6ivs 1
37 1 . . . parsed_6ivs 1
38 1 . . . parsed_6ivs 1
39 1 . . . parsed_6ivs 1
40 1 . . . parsed_6ivs 1
41 1 . . . parsed_6ivs 1
42 1 . . . parsed_6ivs 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 . . . . . . . . . 20 . HN parsed_6ivs 1
1 1 2 . . . . . . . . . 4 . O parsed_6ivs 1
2 1 1 . . . . . . . . . 20 . N parsed_6ivs 1
2 1 2 . . . . . . . . . 4 . O parsed_6ivs 1
3 1 1 . . . . . . . . . 6 . HN parsed_6ivs 1
3 1 2 . . . . . . . . . 18 . O parsed_6ivs 1
4 1 1 . . . . . . . . . 6 . N parsed_6ivs 1
4 1 2 . . . . . . . . . 18 . O parsed_6ivs 1
5 1 1 . . . . . . . . . 18 . HN parsed_6ivs 1
5 1 2 . . . . . . . . . 6 . O parsed_6ivs 1
6 1 1 . . . . . . . . . 18 . N parsed_6ivs 1
6 1 2 . . . . . . . . . 6 . O parsed_6ivs 1
7 1 1 . . . . . . . . . 8 . HN parsed_6ivs 1
7 1 2 . . . . . . . . . 16 . O parsed_6ivs 1
8 1 1 . . . . . . . . . 8 . N parsed_6ivs 1
8 1 2 . . . . . . . . . 16 . O parsed_6ivs 1
9 1 1 . . . . . . . . . 16 . HN parsed_6ivs 1
9 1 2 . . . . . . . . . 9 . O parsed_6ivs 1
10 1 1 . . . . . . . . . 16 . N parsed_6ivs 1
10 1 2 . . . . . . . . . 9 . O parsed_6ivs 1
11 1 1 . . . . . . . . . 11 . HN parsed_6ivs 1
11 1 2 . . . . . . . . . 14 . O parsed_6ivs 1
12 1 1 . . . . . . . . . 11 . N parsed_6ivs 1
12 1 2 . . . . . . . . . 14 . O parsed_6ivs 1
13 1 1 . . . . . . . . . 14 . HN parsed_6ivs 1
13 1 2 . . . . . . . . . 11 . O parsed_6ivs 1
14 1 1 . . . . . . . . . 14 . N parsed_6ivs 1
14 1 2 . . . . . . . . . 11 . O parsed_6ivs 1
15 1 1 . . . . . . . . . 3 . HN parsed_6ivs 1
15 1 2 . . . . . . . . . 41 . O parsed_6ivs 1
16 1 1 . . . . . . . . . 3 . N parsed_6ivs 1
16 1 2 . . . . . . . . . 41 . O parsed_6ivs 1
17 1 1 . . . . . . . . . 41 . HN parsed_6ivs 1
17 1 2 . . . . . . . . . 3 . O parsed_6ivs 1
18 1 1 . . . . . . . . . 41 . N parsed_6ivs 1
18 1 2 . . . . . . . . . 3 . O parsed_6ivs 1
19 1 1 . . . . . . . . . 5 . HN parsed_6ivs 1
19 1 2 . . . . . . . . . 39 . O parsed_6ivs 1
20 1 1 . . . . . . . . . 5 . N parsed_6ivs 1
20 1 2 . . . . . . . . . 39 . O parsed_6ivs 1
21 1 1 . . . . . . . . . 39 . HN parsed_6ivs 1
21 1 2 . . . . . . . . . 5 . O parsed_6ivs 1
22 1 1 . . . . . . . . . 39 . N parsed_6ivs 1
22 1 2 . . . . . . . . . 5 . O parsed_6ivs 1
23 1 1 . . . . . . . . . 36 . HN parsed_6ivs 1
23 1 2 . . . . . . . . . 7 . O parsed_6ivs 1
24 1 1 . . . . . . . . . 36 . N parsed_6ivs 1
24 1 2 . . . . . . . . . 7 . O parsed_6ivs 1
25 1 1 . . . . . . . . . 7 . HN parsed_6ivs 1
25 1 2 . . . . . . . . . 37 . O parsed_6ivs 1
26 1 1 . . . . . . . . . 7 . N parsed_6ivs 1
26 1 2 . . . . . . . . . 37 . O parsed_6ivs 1
27 1 1 . . . . . . . . . 29 . HN parsed_6ivs 1
27 1 2 . . . . . . . . . 13 . O parsed_6ivs 1
28 1 1 . . . . . . . . . 29 . N parsed_6ivs 1
28 1 2 . . . . . . . . . 13 . O parsed_6ivs 1
29 1 1 . . . . . . . . . 15 . HN parsed_6ivs 1
29 1 2 . . . . . . . . . 27 . O parsed_6ivs 1
30 1 1 . . . . . . . . . 15 . N parsed_6ivs 1
30 1 2 . . . . . . . . . 27 . O parsed_6ivs 1
31 1 1 . . . . . . . . . 27 . HN parsed_6ivs 1
31 1 2 . . . . . . . . . 15 . O parsed_6ivs 1
32 1 1 . . . . . . . . . 27 . N parsed_6ivs 1
32 1 2 . . . . . . . . . 15 . O parsed_6ivs 1
33 1 1 . . . . . . . . . 17 . HN parsed_6ivs 1
33 1 2 . . . . . . . . . 25 . O parsed_6ivs 1
34 1 1 . . . . . . . . . 17 . N parsed_6ivs 1
34 1 2 . . . . . . . . . 25 . O parsed_6ivs 1
35 1 1 . . . . . . . . . 25 . HN parsed_6ivs 1
35 1 2 . . . . . . . . . 17 . O parsed_6ivs 1
36 1 1 . . . . . . . . . 25 . N parsed_6ivs 1
36 1 2 . . . . . . . . . 17 . O parsed_6ivs 1
37 1 1 . . . . . . . . . 19 . HN parsed_6ivs 1
37 1 2 . . . . . . . . . 23 . O parsed_6ivs 1
38 1 1 . . . . . . . . . 19 . N parsed_6ivs 1
38 1 2 . . . . . . . . . 23 . O parsed_6ivs 1
39 1 1 . . . . . . . . . 45 . HN parsed_6ivs 1
39 1 2 . . . . . . . . . 42 . O parsed_6ivs 1
40 1 1 . . . . . . . . . 45 . N parsed_6ivs 1
40 1 2 . . . . . . . . . 42 . O parsed_6ivs 1
41 1 1 . . . . . . . . . 46 . HN parsed_6ivs 1
41 1 2 . . . . . . . . . 43 . O parsed_6ivs 1
42 1 1 . . . . . . . . . 46 . N parsed_6ivs 1
42 1 2 . . . . . . . . . 43 . O parsed_6ivs 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 1.5 2.5 parsed_6ivs 1
2 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
3 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
4 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
5 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
6 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
7 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
8 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
9 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
10 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
11 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
12 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
13 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
14 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
15 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
16 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
17 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
18 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
19 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
20 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
21 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
22 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
23 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
24 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
25 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
26 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
27 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
28 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
29 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
30 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
31 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
32 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
33 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
34 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
35 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
36 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
37 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
38 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
39 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
40 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 1
41 1 . . . . . 2.0 1.5 2.5 parsed_6ivs 1
42 1 . . . . . 3.0 2.5 3.5 parsed_6ivs 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 beta1-beta2 2 1 2 13 parsed_6ivs 1
2 H-bond 3 64 3 72 parsed_6ivs 1
3 H-bond 4 63 4 71 parsed_6ivs 1
4 H-bond 5 64 5 72 parsed_6ivs 1
5 H-bond 6 63 6 71 parsed_6ivs 1
6 H-bond 7 64 7 72 parsed_6ivs 1
7 H-bond 8 63 8 71 parsed_6ivs 1
8 H-bond 9 64 9 72 parsed_6ivs 1
9 H-bond 10 63 10 71 parsed_6ivs 1
10 H-bond 11 64 11 72 parsed_6ivs 1
11 H-bond 12 63 12 71 parsed_6ivs 1
12 H-bond 13 65 13 73 parsed_6ivs 1
13 H-bond 14 64 14 72 parsed_6ivs 1
14 H-bond 15 65 15 73 parsed_6ivs 1
15
;
H-bond
beta1-beta4
;
16 64 17 13 parsed_6ivs 1
16 H-bond 18 64 18 72 parsed_6ivs 1
17 H-bond 19 63 19 71 parsed_6ivs 1
18 H-bond 20 64 20 72 parsed_6ivs 1
19 H-bond 21 63 21 71 parsed_6ivs 1
20 H-bond 22 64 22 72 parsed_6ivs 1
21 H-bond 23 63 23 71 parsed_6ivs 1
22 H-bond 24 64 24 72 parsed_6ivs 1
23 H-bond 25 63 25 71 parsed_6ivs 1
24 H-bond 26 64 26 72 parsed_6ivs 1
25 H-bond 27 63 27 71 parsed_6ivs 1
26 H-bond 28 64 28 72 parsed_6ivs 1
27
;
H-bond
beta2-beta3
;
29 63 30 13 parsed_6ivs 1
28 H-bond 31 65 31 73 parsed_6ivs 1
29 H-bond 32 64 32 72 parsed_6ivs 1
30 H-bond 33 65 33 73 parsed_6ivs 1
31 H-bond 34 64 34 72 parsed_6ivs 1
32 H-bond 35 65 35 73 parsed_6ivs 1
33 H-bond 36 64 36 72 parsed_6ivs 1
34 H-bond 37 65 37 73 parsed_6ivs 1
35 H-bond 38 64 38 72 parsed_6ivs 1
36 H-bond 39 65 39 73 parsed_6ivs 1
37 H-bond 40 64 40 72 parsed_6ivs 1
38 H-bond 41 65 41 73 parsed_6ivs 1
39
;
H-bond
3-10 helix
;
42 64 43 12 parsed_6ivs 1
40 H-bond 44 65 44 73 parsed_6ivs 1
41 H-bond 45 64 45 72 parsed_6ivs 1
42 H-bond 46 65 46 73 parsed_6ivs 1
43 H-bond 47 64 47 72 parsed_6ivs 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 1: hbond.tbl" 1 1 1 30 parsed_6ivs 1
stop_
save_
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