NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
650853 |
6t33   |
50027 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 50 |
data_6t33_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6t33
_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_6t33 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6t33
_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 6t33 "Master copy" parsed_6t33
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6t33
_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 6t33.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6t33 1
1 6t33.mr . . DYANA/DIANA 2 distance "hydrogen bond" simple 50 parsed_6t33 1
1 6t33.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6t33 1
1 6t33.mr . . DYANA/DIANA 4 distance "general distance" simple 0 parsed_6t33 1
1 6t33.mr . . DYANA/DIANA 5 distance NOE simple 0 parsed_6t33 1
1 6t33.mr . . DYANA/DIANA 6 distance "general distance" simple 0 parsed_6t33 1
1 6t33.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6t33 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6t33
_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_6t33 1
2 1 . . . parsed_6t33 1
3 1 . . . parsed_6t33 1
4 1 . . . parsed_6t33 1
5 1 . . . parsed_6t33 1
6 1 . . . parsed_6t33 1
7 1 . . . parsed_6t33 1
8 1 . . . parsed_6t33 1
9 1 . . . parsed_6t33 1
10 1 . . . parsed_6t33 1
11 1 . . . parsed_6t33 1
12 1 . . . parsed_6t33 1
13 1 . . . parsed_6t33 1
14 1 . . . parsed_6t33 1
15 1 . . . parsed_6t33 1
16 1 . . . parsed_6t33 1
17 1 . . . parsed_6t33 1
18 1 . . . parsed_6t33 1
19 1 . . . parsed_6t33 1
20 1 . . . parsed_6t33 1
21 1 . . . parsed_6t33 1
22 1 . . . parsed_6t33 1
23 1 . . . parsed_6t33 1
24 1 . . . parsed_6t33 1
25 1 . . . parsed_6t33 1
26 1 . . . parsed_6t33 1
27 1 . . . parsed_6t33 1
28 1 . . . parsed_6t33 1
29 1 . . . parsed_6t33 1
30 1 . . . parsed_6t33 1
31 1 . . . parsed_6t33 1
32 1 . . . parsed_6t33 1
33 1 . . . parsed_6t33 1
34 1 . . . parsed_6t33 1
35 1 . . . parsed_6t33 1
36 1 . . . parsed_6t33 1
37 1 . . . parsed_6t33 1
38 1 . . . parsed_6t33 1
39 1 . . . parsed_6t33 1
40 1 . . . parsed_6t33 1
41 1 . . . parsed_6t33 1
42 1 . . . parsed_6t33 1
43 1 . . . parsed_6t33 1
44 1 . . . parsed_6t33 1
45 1 . . . parsed_6t33 1
46 1 . . . parsed_6t33 1
47 1 . . . parsed_6t33 1
48 1 . . . parsed_6t33 1
49 1 . . . parsed_6t33 1
50 1 . . . parsed_6t33 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 . . . . . . . . . 2 GLY O parsed_6t33 1
1 1 2 . . . . . . . . . 23 VAL H parsed_6t33 1
2 1 1 . . . . . . . . . 2 GLY O parsed_6t33 1
2 1 2 . . . . . . . . . 23 VAL N parsed_6t33 1
3 1 1 . . . . . . . . . 4 VAL O parsed_6t33 1
3 1 2 . . . . . . . . . 25 TYR H parsed_6t33 1
4 1 1 . . . . . . . . . 4 VAL O parsed_6t33 1
4 1 2 . . . . . . . . . 25 TYR N parsed_6t33 1
5 1 1 . . . . . . . . . 9 THR O parsed_6t33 1
5 1 2 . . . . . . . . . 12 ALS H parsed_6t33 1
6 1 1 . . . . . . . . . 9 THR O parsed_6t33 1
6 1 2 . . . . . . . . . 12 ALS N parsed_6t33 1
7 1 1 . . . . . . . . . 9 THR O parsed_6t33 1
7 1 2 . . . . . . . . . 13 ASN H parsed_6t33 1
8 1 1 . . . . . . . . . 9 THR O parsed_6t33 1
8 1 2 . . . . . . . . . 13 ASN N parsed_6t33 1
9 1 1 . . . . . . . . . 10 ALA O parsed_6t33 1
9 1 2 . . . . . . . . . 13 ASN H parsed_6t33 1
10 1 1 . . . . . . . . . 10 ALA O parsed_6t33 1
10 1 2 . . . . . . . . . 13 ASN N parsed_6t33 1
11 1 1 . . . . . . . . . 10 ALA O parsed_6t33 1
11 1 2 . . . . . . . . . 14 SER H parsed_6t33 1
12 1 1 . . . . . . . . . 10 ALA O parsed_6t33 1
12 1 2 . . . . . . . . . 14 SER N parsed_6t33 1
13 1 1 . . . . . . . . . 11 VAL O parsed_6t33 1
13 1 2 . . . . . . . . . 14 SER H parsed_6t33 1
14 1 1 . . . . . . . . . 11 VAL O parsed_6t33 1
14 1 2 . . . . . . . . . 14 SER N parsed_6t33 1
15 1 1 . . . . . . . . . 11 VAL O parsed_6t33 1
15 1 2 . . . . . . . . . 15 HIS H parsed_6t33 1
16 1 1 . . . . . . . . . 11 VAL O parsed_6t33 1
16 1 2 . . . . . . . . . 15 HIS N parsed_6t33 1
17 1 1 . . . . . . . . . 12 ALS O parsed_6t33 1
17 1 2 . . . . . . . . . 15 HIS H parsed_6t33 1
18 1 1 . . . . . . . . . 12 ALS O parsed_6t33 1
18 1 2 . . . . . . . . . 15 HIS N parsed_6t33 1
19 1 1 . . . . . . . . . 23 VAL O parsed_6t33 1
19 1 2 . . . . . . . . . 4 VAL H parsed_6t33 1
20 1 1 . . . . . . . . . 23 VAL O parsed_6t33 1
20 1 2 . . . . . . . . . 4 VAL N parsed_6t33 1
21 1 1 . . . . . . . . . 25 TYR O parsed_6t33 1
21 1 2 . . . . . . . . . 6 SER H parsed_6t33 1
22 1 1 . . . . . . . . . 25 TYR O parsed_6t33 1
22 1 2 . . . . . . . . . 6 SER N parsed_6t33 1
23 1 1 . . . . . . . . . 31 VAL O parsed_6t33 1
23 1 2 . . . . . . . . . 34 RSS H parsed_6t33 1
24 1 1 . . . . . . . . . 31 VAL O parsed_6t33 1
24 1 2 . . . . . . . . . 34 RSS N parsed_6t33 1
25 1 1 . . . . . . . . . 31 VAL O parsed_6t33 1
25 1 2 . . . . . . . . . 35 ASN H parsed_6t33 1
26 1 1 . . . . . . . . . 31 VAL O parsed_6t33 1
26 1 2 . . . . . . . . . 35 ASN N parsed_6t33 1
27 1 1 . . . . . . . . . 32 VAL O parsed_6t33 1
27 1 2 . . . . . . . . . 36 ALA H parsed_6t33 1
28 1 1 . . . . . . . . . 32 VAL O parsed_6t33 1
28 1 2 . . . . . . . . . 36 ALA N parsed_6t33 1
29 1 1 . . . . . . . . . 33 THR O parsed_6t33 1
29 1 2 . . . . . . . . . 37 ASN H parsed_6t33 1
30 1 1 . . . . . . . . . 33 THR O parsed_6t33 1
30 1 2 . . . . . . . . . 37 ASN N parsed_6t33 1
31 1 1 . . . . . . . . . 35 ASN O parsed_6t33 1
31 1 2 . . . . . . . . . 38 ALA H parsed_6t33 1
32 1 1 . . . . . . . . . 35 ASN O parsed_6t33 1
32 1 2 . . . . . . . . . 38 ALA N parsed_6t33 1
33 1 1 . . . . . . . . . 35 ASN O parsed_6t33 1
33 1 2 . . . . . . . . . 39 ASN H parsed_6t33 1
34 1 1 . . . . . . . . . 35 ASN O parsed_6t33 1
34 1 2 . . . . . . . . . 39 ASN N parsed_6t33 1
35 1 1 . . . . . . . . . 36 ALA O parsed_6t33 1
35 1 2 . . . . . . . . . 40 VAL H parsed_6t33 1
36 1 1 . . . . . . . . . 36 ALA O parsed_6t33 1
36 1 2 . . . . . . . . . 40 VAL N parsed_6t33 1
37 1 1 . . . . . . . . . 36 ALA O parsed_6t33 1
37 1 2 . . . . . . . . . 39 ASN H parsed_6t33 1
38 1 1 . . . . . . . . . 36 ALA O parsed_6t33 1
38 1 2 . . . . . . . . . 39 ASN N parsed_6t33 1
39 1 1 . . . . . . . . . 37 ASN O parsed_6t33 1
39 1 2 . . . . . . . . . 41 ALA H parsed_6t33 1
40 1 1 . . . . . . . . . 37 ASN O parsed_6t33 1
40 1 2 . . . . . . . . . 41 ALA N parsed_6t33 1
41 1 1 . . . . . . . . . 38 ALA O parsed_6t33 1
41 1 2 . . . . . . . . . 41 ALA H parsed_6t33 1
42 1 1 . . . . . . . . . 38 ALA O parsed_6t33 1
42 1 2 . . . . . . . . . 41 ALA N parsed_6t33 1
43 1 1 . . . . . . . . . 38 ALA O parsed_6t33 1
43 1 2 . . . . . . . . . 42 KSS H parsed_6t33 1
44 1 1 . . . . . . . . . 38 ALA O parsed_6t33 1
44 1 2 . . . . . . . . . 42 KSS N parsed_6t33 1
45 1 1 . . . . . . . . . 39 ASN O parsed_6t33 1
45 1 2 . . . . . . . . . 42 KSS H parsed_6t33 1
46 1 1 . . . . . . . . . 39 ASN O parsed_6t33 1
46 1 2 . . . . . . . . . 42 KSS N parsed_6t33 1
47 1 1 . . . . . . . . . 40 VAL O parsed_6t33 1
47 1 2 . . . . . . . . . 43 THR H parsed_6t33 1
48 1 1 . . . . . . . . . 40 VAL O parsed_6t33 1
48 1 2 . . . . . . . . . 43 THR N parsed_6t33 1
49 1 1 . . . . . . . . . 41 ALA O parsed_6t33 1
49 1 2 . . . . . . . . . 44 ALA H parsed_6t33 1
50 1 1 . . . . . . . . . 41 ALA O parsed_6t33 1
50 1 2 . . . . . . . . . 44 ALA N parsed_6t33 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 . . . . . . . 1.80 parsed_6t33 1
2 1 . . . . . . . 2.70 parsed_6t33 1
3 1 . . . . . . . 1.80 parsed_6t33 1
4 1 . . . . . . . 2.70 parsed_6t33 1
5 1 . . . . . . . 1.80 parsed_6t33 1
6 1 . . . . . . . 2.70 parsed_6t33 1
7 1 . . . . . . . 1.80 parsed_6t33 1
8 1 . . . . . . . 2.70 parsed_6t33 1
9 1 . . . . . . . 1.80 parsed_6t33 1
10 1 . . . . . . . 2.70 parsed_6t33 1
11 1 . . . . . . . 1.80 parsed_6t33 1
12 1 . . . . . . . 2.70 parsed_6t33 1
13 1 . . . . . . . 1.80 parsed_6t33 1
14 1 . . . . . . . 2.70 parsed_6t33 1
15 1 . . . . . . . 1.80 parsed_6t33 1
16 1 . . . . . . . 2.70 parsed_6t33 1
17 1 . . . . . . . 1.80 parsed_6t33 1
18 1 . . . . . . . 2.70 parsed_6t33 1
19 1 . . . . . . . 1.80 parsed_6t33 1
20 1 . . . . . . . 2.70 parsed_6t33 1
21 1 . . . . . . . 1.80 parsed_6t33 1
22 1 . . . . . . . 2.70 parsed_6t33 1
23 1 . . . . . . . 1.80 parsed_6t33 1
24 1 . . . . . . . 2.70 parsed_6t33 1
25 1 . . . . . . . 1.80 parsed_6t33 1
26 1 . . . . . . . 2.70 parsed_6t33 1
27 1 . . . . . . . 1.80 parsed_6t33 1
28 1 . . . . . . . 2.70 parsed_6t33 1
29 1 . . . . . . . 1.80 parsed_6t33 1
30 1 . . . . . . . 2.70 parsed_6t33 1
31 1 . . . . . . . 1.80 parsed_6t33 1
32 1 . . . . . . . 2.70 parsed_6t33 1
33 1 . . . . . . . 1.80 parsed_6t33 1
34 1 . . . . . . . 2.70 parsed_6t33 1
35 1 . . . . . . . 1.80 parsed_6t33 1
36 1 . . . . . . . 2.70 parsed_6t33 1
37 1 . . . . . . . 1.80 parsed_6t33 1
38 1 . . . . . . . 2.70 parsed_6t33 1
39 1 . . . . . . . 1.80 parsed_6t33 1
40 1 . . . . . . . 2.70 parsed_6t33 1
41 1 . . . . . . . 1.80 parsed_6t33 1
42 1 . . . . . . . 2.70 parsed_6t33 1
43 1 . . . . . . . 1.80 parsed_6t33 1
44 1 . . . . . . . 2.70 parsed_6t33 1
45 1 . . . . . . . 1.80 parsed_6t33 1
46 1 . . . . . . . 2.70 parsed_6t33 1
47 1 . . . . . . . 1.80 parsed_6t33 1
48 1 . . . . . . . 2.70 parsed_6t33 1
49 1 . . . . . . . 1.80 parsed_6t33 1
50 1 . . . . . . . 2.70 parsed_6t33 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 "Restraints file 1: HBONDS.lol" 1 1 1 31 parsed_6t33 1
2 "Lower distance limit" 2 1 2 22 parsed_6t33 1
stop_
save_
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