NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
30742 |
1d8j   |
4721 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 40 |
data_1d8j_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1d8j
_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_1d8j 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1d8j
_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 1d8j "Master copy" parsed_1d8j
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1d8j
_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 1d8j.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1d8j 1
1 1d8j.mr . . EMBOSS 2 distance NOE simple 1184 parsed_1d8j 1
1 1d8j.mr . . EMBOSS 3 distance "hydrogen bond" simple 40 parsed_1d8j 1
1 1d8j.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1d8j 1
1 1d8j.mr . . EMBOSS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1d8j 1
1 1d8j.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1d8j 1
1 1d8j.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1d8j 1
stop_
save_
save_Emboss_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1d8j
_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_1d8j 1
2 1 . . . parsed_1d8j 1
3 1 . . . parsed_1d8j 1
4 1 . . . parsed_1d8j 1
5 1 . . . parsed_1d8j 1
6 1 . . . parsed_1d8j 1
7 1 . . . parsed_1d8j 1
8 1 . . . parsed_1d8j 1
9 1 . . . parsed_1d8j 1
10 1 . . . parsed_1d8j 1
11 1 . . . parsed_1d8j 1
12 1 . . . parsed_1d8j 1
13 1 . . . parsed_1d8j 1
14 1 . . . parsed_1d8j 1
15 1 . . . parsed_1d8j 1
16 1 . . . parsed_1d8j 1
17 1 . . . parsed_1d8j 1
18 1 . . . parsed_1d8j 1
19 1 . . . parsed_1d8j 1
20 1 . . . parsed_1d8j 1
21 1 . . . parsed_1d8j 1
22 1 . . . parsed_1d8j 1
23 1 . . . parsed_1d8j 1
24 1 . . . parsed_1d8j 1
25 1 . . . parsed_1d8j 1
26 1 . . . parsed_1d8j 1
27 1 . . . parsed_1d8j 1
28 1 . . . parsed_1d8j 1
29 1 . . . parsed_1d8j 1
30 1 . . . parsed_1d8j 1
31 1 . . . parsed_1d8j 1
32 1 . . . parsed_1d8j 1
33 1 . . . parsed_1d8j 1
34 1 . . . parsed_1d8j 1
35 1 . . . parsed_1d8j 1
36 1 . . . parsed_1d8j 1
37 1 . . . parsed_1d8j 1
38 1 . . . parsed_1d8j 1
39 1 . . . parsed_1d8j 1
40 1 . . . parsed_1d8j 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 . . . . . . . . 1 16 ILE HN parsed_1d8j 1
1 1 2 . . . . . . . . 1 12 VAL O parsed_1d8j 1
2 1 1 . . . . . . . . 1 17 VAL HN parsed_1d8j 1
2 1 2 . . . . . . . . 1 13 LEU O parsed_1d8j 1
3 1 1 . . . . . . . . 1 18 ASN HN parsed_1d8j 1
3 1 2 . . . . . . . . 1 14 ALA O parsed_1d8j 1
4 1 1 . . . . . . . . 1 19 TYR HN parsed_1d8j 1
4 1 2 . . . . . . . . 1 15 LYS+ O parsed_1d8j 1
5 1 1 . . . . . . . . 1 20 MET HN parsed_1d8j 1
5 1 2 . . . . . . . . 1 16 ILE O parsed_1d8j 1
6 1 1 . . . . . . . . 1 21 LYS+ HN parsed_1d8j 1
6 1 2 . . . . . . . . 1 17 VAL O parsed_1d8j 1
7 1 1 . . . . . . . . 1 22 THR HN parsed_1d8j 1
7 1 2 . . . . . . . . 1 18 ASN O parsed_1d8j 1
8 1 1 . . . . . . . . 1 23 ARG+ HN parsed_1d8j 1
8 1 2 . . . . . . . . 1 19 TYR O parsed_1d8j 1
9 1 1 . . . . . . . . 1 32 LEU HN parsed_1d8j 1
9 1 2 . . . . . . . . 1 72 TYR O parsed_1d8j 1
10 1 1 . . . . . . . . 1 33 THR HN parsed_1d8j 1
10 1 2 . . . . . . . . 1 36 GLU- OE2 parsed_1d8j 1
11 1 1 . . . . . . . . 1 36 GLU- HN parsed_1d8j 1
11 1 2 . . . . . . . . 1 33 THR OG1 parsed_1d8j 1
12 1 1 . . . . . . . . 1 37 ILE HN parsed_1d8j 1
12 1 2 . . . . . . . . 1 33 THR O parsed_1d8j 1
13 1 1 . . . . . . . . 1 38 LEU HN parsed_1d8j 1
13 1 2 . . . . . . . . 1 34 LEU O parsed_1d8j 1
14 1 1 . . . . . . . . 1 39 ASP- HN parsed_1d8j 1
14 1 2 . . . . . . . . 1 35 ASP- O parsed_1d8j 1
15 1 1 . . . . . . . . 1 58 ALA HN parsed_1d8j 1
15 1 2 . . . . . . . . 1 53 TRP O parsed_1d8j 1
16 1 1 . . . . . . . . 1 59 LEU HN parsed_1d8j 1
16 1 2 . . . . . . . . 1 54 LEU O parsed_1d8j 1
17 1 1 . . . . . . . . 1 64 LYS+ HN parsed_1d8j 1
17 1 2 . . . . . . . . 1 62 ASN OD1 parsed_1d8j 1
18 1 1 . . . . . . . . 1 65 ILE HN parsed_1d8j 1
18 1 2 . . . . . . . . 1 62 ASN O parsed_1d8j 1
19 1 1 . . . . . . . . 1 66 GLU- HN parsed_1d8j 1
19 1 2 . . . . . . . . 1 73 ALA O parsed_1d8j 1
20 1 1 . . . . . . . . 1 68 ILE HN parsed_1d8j 1
20 1 2 . . . . . . . . 1 71 LYS+ O parsed_1d8j 1
21 1 1 . . . . . . . . 1 16 ILE N parsed_1d8j 1
21 1 2 . . . . . . . . 1 12 VAL O parsed_1d8j 1
22 1 1 . . . . . . . . 1 17 VAL N parsed_1d8j 1
22 1 2 . . . . . . . . 1 13 LEU O parsed_1d8j 1
23 1 1 . . . . . . . . 1 18 ASN N parsed_1d8j 1
23 1 2 . . . . . . . . 1 14 ALA O parsed_1d8j 1
24 1 1 . . . . . . . . 1 19 TYR N parsed_1d8j 1
24 1 2 . . . . . . . . 1 15 LYS+ O parsed_1d8j 1
25 1 1 . . . . . . . . 1 20 MET N parsed_1d8j 1
25 1 2 . . . . . . . . 1 16 ILE O parsed_1d8j 1
26 1 1 . . . . . . . . 1 21 LYS+ N parsed_1d8j 1
26 1 2 . . . . . . . . 1 17 VAL O parsed_1d8j 1
27 1 1 . . . . . . . . 1 22 THR N parsed_1d8j 1
27 1 2 . . . . . . . . 1 18 ASN O parsed_1d8j 1
28 1 1 . . . . . . . . 1 23 ARG+ N parsed_1d8j 1
28 1 2 . . . . . . . . 1 19 TYR O parsed_1d8j 1
29 1 1 . . . . . . . . 1 32 LEU N parsed_1d8j 1
29 1 2 . . . . . . . . 1 72 TYR O parsed_1d8j 1
30 1 1 . . . . . . . . 1 33 THR N parsed_1d8j 1
30 1 2 . . . . . . . . 1 36 GLU- OE2 parsed_1d8j 1
31 1 1 . . . . . . . . 1 36 GLU- N parsed_1d8j 1
31 1 2 . . . . . . . . 1 33 THR OG1 parsed_1d8j 1
32 1 1 . . . . . . . . 1 37 ILE N parsed_1d8j 1
32 1 2 . . . . . . . . 1 33 THR O parsed_1d8j 1
33 1 1 . . . . . . . . 1 38 LEU N parsed_1d8j 1
33 1 2 . . . . . . . . 1 34 LEU O parsed_1d8j 1
34 1 1 . . . . . . . . 1 39 ASP- N parsed_1d8j 1
34 1 2 . . . . . . . . 1 35 ASP- O parsed_1d8j 1
35 1 1 . . . . . . . . 1 58 ALA N parsed_1d8j 1
35 1 2 . . . . . . . . 1 53 TRP O parsed_1d8j 1
36 1 1 . . . . . . . . 1 59 LEU N parsed_1d8j 1
36 1 2 . . . . . . . . 1 54 LEU O parsed_1d8j 1
37 1 1 . . . . . . . . 1 64 LYS+ N parsed_1d8j 1
37 1 2 . . . . . . . . 1 62 ASN OD1 parsed_1d8j 1
38 1 1 . . . . . . . . 1 65 ILE N parsed_1d8j 1
38 1 2 . . . . . . . . 1 62 ASN O parsed_1d8j 1
39 1 1 . . . . . . . . 1 66 GLU- N parsed_1d8j 1
39 1 2 . . . . . . . . 1 73 ALA O parsed_1d8j 1
40 1 1 . . . . . . . . 1 68 ILE N parsed_1d8j 1
40 1 2 . . . . . . . . 1 71 LYS+ O parsed_1d8j 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 . . . . . . 1.50 2.30 parsed_1d8j 1
2 1 . . . . . . 1.50 2.30 parsed_1d8j 1
3 1 . . . . . . 1.50 2.30 parsed_1d8j 1
4 1 . . . . . . 1.50 2.30 parsed_1d8j 1
5 1 . . . . . . 1.50 2.30 parsed_1d8j 1
6 1 . . . . . . 1.50 2.30 parsed_1d8j 1
7 1 . . . . . . 1.50 2.30 parsed_1d8j 1
8 1 . . . . . . 1.50 2.30 parsed_1d8j 1
9 1 . . . . . . 1.50 2.30 parsed_1d8j 1
10 1 . . . . . . 1.50 2.30 parsed_1d8j 1
11 1 . . . . . . 1.50 2.30 parsed_1d8j 1
12 1 . . . . . . 1.50 2.30 parsed_1d8j 1
13 1 . . . . . . 1.50 2.30 parsed_1d8j 1
14 1 . . . . . . 1.50 2.30 parsed_1d8j 1
15 1 . . . . . . 1.50 2.30 parsed_1d8j 1
16 1 . . . . . . 1.50 2.30 parsed_1d8j 1
17 1 . . . . . . 1.50 2.30 parsed_1d8j 1
18 1 . . . . . . 1.50 2.30 parsed_1d8j 1
19 1 . . . . . . 1.50 2.30 parsed_1d8j 1
20 1 . . . . . . 1.50 2.30 parsed_1d8j 1
21 1 . . . . . . 2.50 3.30 parsed_1d8j 1
22 1 . . . . . . 2.50 3.30 parsed_1d8j 1
23 1 . . . . . . 2.50 3.30 parsed_1d8j 1
24 1 . . . . . . 2.50 3.30 parsed_1d8j 1
25 1 . . . . . . 2.50 3.30 parsed_1d8j 1
26 1 . . . . . . 2.50 3.30 parsed_1d8j 1
27 1 . . . . . . 2.50 3.30 parsed_1d8j 1
28 1 . . . . . . 2.50 3.30 parsed_1d8j 1
29 1 . . . . . . 2.50 3.30 parsed_1d8j 1
30 1 . . . . . . 2.50 3.30 parsed_1d8j 1
31 1 . . . . . . 2.50 3.30 parsed_1d8j 1
32 1 . . . . . . 2.50 3.30 parsed_1d8j 1
33 1 . . . . . . 2.50 3.30 parsed_1d8j 1
34 1 . . . . . . 2.50 3.30 parsed_1d8j 1
35 1 . . . . . . 2.50 3.30 parsed_1d8j 1
36 1 . . . . . . 2.50 3.30 parsed_1d8j 1
37 1 . . . . . . 2.50 3.30 parsed_1d8j 1
38 1 . . . . . . 2.50 3.30 parsed_1d8j 1
39 1 . . . . . . 2.50 3.30 parsed_1d8j 1
40 1 . . . . . . 2.50 3.30 parsed_1d8j 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
H-O
;
1 1 2 5 parsed_1d8j 1
2 N-O 24 1 24 5 parsed_1d8j 1
stop_
save_
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