NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
50769 |
2k33   |
15737 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 52 |
data_2k33_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k33
_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_2k33 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k33
_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 2k33 "Master copy" parsed_2k33
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k33
_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 2k33.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k33 1
1 2k33.mr . . DYANA/DIANA 2 distance NOE simple 1784 parsed_2k33 1
1 2k33.mr . . DYANA/DIANA 3 distance "general distance" simple 5 parsed_2k33 1
1 2k33.mr . . DYANA/DIANA 4 distance NOE simple 159 parsed_2k33 1
1 2k33.mr . . DYANA/DIANA 5 distance "hydrogen bond" simple 52 parsed_2k33 1
1 2k33.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k33 1
stop_
save_
save_DYANA/DIANA_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2k33
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_2k33 1
2 1 . . . parsed_2k33 1
3 1 . . . parsed_2k33 1
4 1 . . . parsed_2k33 1
5 1 . . . parsed_2k33 1
6 1 . . . parsed_2k33 1
7 1 . . . parsed_2k33 1
8 1 . . . parsed_2k33 1
9 1 . . . parsed_2k33 1
10 1 . . . parsed_2k33 1
11 1 . . . parsed_2k33 1
12 1 . . . parsed_2k33 1
13 1 . . . parsed_2k33 1
14 1 . . . parsed_2k33 1
15 1 . . . parsed_2k33 1
16 1 . . . parsed_2k33 1
17 1 . . . parsed_2k33 1
18 1 . . . parsed_2k33 1
19 1 . . . parsed_2k33 1
20 1 . . . parsed_2k33 1
21 1 . . . parsed_2k33 1
22 1 . . . parsed_2k33 1
23 1 . . . parsed_2k33 1
24 1 . . . parsed_2k33 1
25 1 . . . parsed_2k33 1
26 1 . . . parsed_2k33 1
27 1 . . . parsed_2k33 1
28 1 . . . parsed_2k33 1
29 1 . . . parsed_2k33 1
30 1 . . . parsed_2k33 1
31 1 . . . parsed_2k33 1
32 1 . . . parsed_2k33 1
33 1 . . . parsed_2k33 1
34 1 . . . parsed_2k33 1
35 1 . . . parsed_2k33 1
36 1 . . . parsed_2k33 1
37 1 . . . parsed_2k33 1
38 1 . . . parsed_2k33 1
39 1 . . . parsed_2k33 1
40 1 . . . parsed_2k33 1
41 1 . . . parsed_2k33 1
42 1 . . . parsed_2k33 1
43 1 . . . parsed_2k33 1
44 1 . . . parsed_2k33 1
45 1 . . . parsed_2k33 1
46 1 . . . parsed_2k33 1
47 1 . . . parsed_2k33 1
48 1 . . . parsed_2k33 1
49 1 . . . parsed_2k33 1
50 1 . . . parsed_2k33 1
51 1 . . . parsed_2k33 1
52 1 . . . parsed_2k33 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 . . . . . . . . . 26 GLY H parsed_2k33 1
1 1 2 . . . . . . . . . 72 ALA O parsed_2k33 1
2 1 1 . . . . . . . . . 26 GLY N parsed_2k33 1
2 1 2 . . . . . . . . . 72 ALA O parsed_2k33 1
3 1 1 . . . . . . . . . 72 ALA H parsed_2k33 1
3 1 2 . . . . . . . . . 27 GLN O parsed_2k33 1
4 1 1 . . . . . . . . . 72 ALA N parsed_2k33 1
4 1 2 . . . . . . . . . 27 GLN O parsed_2k33 1
5 1 1 . . . . . . . . . 82 LEU H parsed_2k33 1
5 1 2 . . . . . . . . . 96 LEU O parsed_2k33 1
6 1 1 . . . . . . . . . 82 LEU N parsed_2k33 1
6 1 2 . . . . . . . . . 96 LEU O parsed_2k33 1
7 1 1 . . . . . . . . . 2 VAL H parsed_2k33 1
7 1 2 . . . . . . . . . 99 VAL O parsed_2k33 1
8 1 1 . . . . . . . . . 2 VAL N parsed_2k33 1
8 1 2 . . . . . . . . . 99 VAL O parsed_2k33 1
9 1 1 . . . . . . . . . 99 VAL H parsed_2k33 1
9 1 2 . . . . . . . . . 2 VAL O parsed_2k33 1
10 1 1 . . . . . . . . . 99 VAL N parsed_2k33 1
10 1 2 . . . . . . . . . 2 VAL O parsed_2k33 1
11 1 1 . . . . . . . . . 4 ILE H parsed_2k33 1
11 1 2 . . . . . . . . . 97 VAL O parsed_2k33 1
12 1 1 . . . . . . . . . 4 ILE N parsed_2k33 1
12 1 2 . . . . . . . . . 97 VAL O parsed_2k33 1
13 1 1 . . . . . . . . . 10 GLY H parsed_2k33 1
13 1 2 . . . . . . . . . 89 VAL O parsed_2k33 1
14 1 1 . . . . . . . . . 10 GLY N parsed_2k33 1
14 1 2 . . . . . . . . . 89 VAL O parsed_2k33 1
15 1 1 . . . . . . . . . 89 VAL H parsed_2k33 1
15 1 2 . . . . . . . . . 10 GLY O parsed_2k33 1
16 1 1 . . . . . . . . . 89 VAL N parsed_2k33 1
16 1 2 . . . . . . . . . 10 GLY O parsed_2k33 1
17 1 1 . . . . . . . . . 12 ILE H parsed_2k33 1
17 1 2 . . . . . . . . . 87 ASP O parsed_2k33 1
18 1 1 . . . . . . . . . 12 ILE N parsed_2k33 1
18 1 2 . . . . . . . . . 87 ASP O parsed_2k33 1
19 1 1 . . . . . . . . . 86 GLY H parsed_2k33 1
19 1 2 . . . . . . . . . 12 ILE O parsed_2k33 1
20 1 1 . . . . . . . . . 86 GLY N parsed_2k33 1
20 1 2 . . . . . . . . . 12 ILE O parsed_2k33 1
21 1 1 . . . . . . . . . 11 VAL H parsed_2k33 1
21 1 2 . . . . . . . . . 33 GLU O parsed_2k33 1
22 1 1 . . . . . . . . . 11 VAL N parsed_2k33 1
22 1 2 . . . . . . . . . 33 GLU O parsed_2k33 1
23 1 1 . . . . . . . . . 33 GLU H parsed_2k33 1
23 1 2 . . . . . . . . . 11 VAL O parsed_2k33 1
24 1 1 . . . . . . . . . 33 GLU N parsed_2k33 1
24 1 2 . . . . . . . . . 11 VAL O parsed_2k33 1
25 1 1 . . . . . . . . . 13 VAL H parsed_2k33 1
25 1 2 . . . . . . . . . 31 ILE O parsed_2k33 1
26 1 1 . . . . . . . . . 13 VAL N parsed_2k33 1
26 1 2 . . . . . . . . . 31 ILE O parsed_2k33 1
27 1 1 . . . . . . . . . 16 LEU H parsed_2k33 1
27 1 2 . . . . . . . . . 29 LEU O parsed_2k33 1
28 1 1 . . . . . . . . . 16 LEU N parsed_2k33 1
28 1 2 . . . . . . . . . 29 LEU O parsed_2k33 1
29 1 1 . . . . . . . . . 20 GLY H parsed_2k33 1
29 1 2 . . . . . . . . . 78 ILE O parsed_2k33 1
30 1 1 . . . . . . . . . 20 GLY N parsed_2k33 1
30 1 2 . . . . . . . . . 78 ILE O parsed_2k33 1
31 1 1 . . . . . . . . . 78 ILE H parsed_2k33 1
31 1 2 . . . . . . . . . 21 ASP O parsed_2k33 1
32 1 1 . . . . . . . . . 78 ILE N parsed_2k33 1
32 1 2 . . . . . . . . . 21 ASP O parsed_2k33 1
33 1 1 . . . . . . . . . 23 VAL H parsed_2k33 1
33 1 2 . . . . . . . . . 76 GLY O parsed_2k33 1
34 1 1 . . . . . . . . . 23 VAL N parsed_2k33 1
34 1 2 . . . . . . . . . 76 GLY O parsed_2k33 1
35 1 1 . . . . . . . . . 76 GLY H parsed_2k33 1
35 1 2 . . . . . . . . . 23 VAL O parsed_2k33 1
36 1 1 . . . . . . . . . 76 GLY N parsed_2k33 1
36 1 2 . . . . . . . . . 23 VAL O parsed_2k33 1
37 1 1 . . . . . . . . . 29 THR H parsed_2k33 1
37 1 2 . . . . . . . . . 70 ILE O parsed_2k33 1
38 1 1 . . . . . . . . . 29 THR N parsed_2k33 1
38 1 2 . . . . . . . . . 70 ILE O parsed_2k33 1
39 1 1 . . . . . . . . . 30 PHE H parsed_2k33 1
39 1 2 . . . . . . . . . 70 ILE O parsed_2k33 1
40 1 1 . . . . . . . . . 30 PHE N parsed_2k33 1
40 1 2 . . . . . . . . . 70 ILE O parsed_2k33 1
41 1 1 . . . . . . . . . 70 ILE H parsed_2k33 1
41 1 2 . . . . . . . . . 30 PHE O parsed_2k33 1
42 1 1 . . . . . . . . . 70 ILE N parsed_2k33 1
42 1 2 . . . . . . . . . 30 PHE O parsed_2k33 1
43 1 1 . . . . . . . . . 32 ILE H parsed_2k33 1
43 1 2 . . . . . . . . . 68 THR O parsed_2k33 1
44 1 1 . . . . . . . . . 32 ILE N parsed_2k33 1
44 1 2 . . . . . . . . . 68 THR O parsed_2k33 1
45 1 1 . . . . . . . . . 68 THR H parsed_2k33 1
45 1 2 . . . . . . . . . 32 ILE O parsed_2k33 1
46 1 1 . . . . . . . . . 68 THR N parsed_2k33 1
46 1 2 . . . . . . . . . 32 ILE O parsed_2k33 1
47 1 1 . . . . . . . . . 100 THR H parsed_2k33 1
47 1 2 . . . . . . . . . 77 THR O parsed_2k33 1
48 1 1 . . . . . . . . . 100 THR N parsed_2k33 1
48 1 2 . . . . . . . . . 77 THR O parsed_2k33 1
49 1 1 . . . . . . . . . 77 THR H parsed_2k33 1
49 1 2 . . . . . . . . . 100 THR O parsed_2k33 1
50 1 1 . . . . . . . . . 77 THR N parsed_2k33 1
50 1 2 . . . . . . . . . 100 THR O parsed_2k33 1
51 1 1 . . . . . . . . . 79 GLY H parsed_2k33 1
51 1 2 . . . . . . . . . 98 ARG O parsed_2k33 1
52 1 1 . . . . . . . . . 79 GLY N parsed_2k33 1
52 1 2 . . . . . . . . . 98 ARG O parsed_2k33 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 . . . . . . . 2.3 parsed_2k33 1
2 1 . . . . . . . 3.2 parsed_2k33 1
3 1 . . . . . . . 2.3 parsed_2k33 1
4 1 . . . . . . . 3.2 parsed_2k33 1
5 1 . . . . . . . 2.3 parsed_2k33 1
6 1 . . . . . . . 3.2 parsed_2k33 1
7 1 . . . . . . . 2.3 parsed_2k33 1
8 1 . . . . . . . 3.2 parsed_2k33 1
9 1 . . . . . . . 2.3 parsed_2k33 1
10 1 . . . . . . . 3.2 parsed_2k33 1
11 1 . . . . . . . 2.3 parsed_2k33 1
12 1 . . . . . . . 3.2 parsed_2k33 1
13 1 . . . . . . . 2.3 parsed_2k33 1
14 1 . . . . . . . 3.2 parsed_2k33 1
15 1 . . . . . . . 2.3 parsed_2k33 1
16 1 . . . . . . . 3.2 parsed_2k33 1
17 1 . . . . . . . 2.3 parsed_2k33 1
18 1 . . . . . . . 3.2 parsed_2k33 1
19 1 . . . . . . . 2.3 parsed_2k33 1
20 1 . . . . . . . 3.2 parsed_2k33 1
21 1 . . . . . . . 2.3 parsed_2k33 1
22 1 . . . . . . . 3.2 parsed_2k33 1
23 1 . . . . . . . 2.3 parsed_2k33 1
24 1 . . . . . . . 3.2 parsed_2k33 1
25 1 . . . . . . . 2.3 parsed_2k33 1
26 1 . . . . . . . 3.2 parsed_2k33 1
27 1 . . . . . . . 2.3 parsed_2k33 1
28 1 . . . . . . . 3.2 parsed_2k33 1
29 1 . . . . . . . 2.3 parsed_2k33 1
30 1 . . . . . . . 3.2 parsed_2k33 1
31 1 . . . . . . . 2.3 parsed_2k33 1
32 1 . . . . . . . 3.2 parsed_2k33 1
33 1 . . . . . . . 2.3 parsed_2k33 1
34 1 . . . . . . . 3.2 parsed_2k33 1
35 1 . . . . . . . 2.3 parsed_2k33 1
36 1 . . . . . . . 3.2 parsed_2k33 1
37 1 . . . . . . . 2.3 parsed_2k33 1
38 1 . . . . . . . 3.2 parsed_2k33 1
39 1 . . . . . . . 2.3 parsed_2k33 1
40 1 . . . . . . . 3.2 parsed_2k33 1
41 1 . . . . . . . 2.3 parsed_2k33 1
42 1 . . . . . . . 3.2 parsed_2k33 1
43 1 . . . . . . . 2.3 parsed_2k33 1
44 1 . . . . . . . 3.2 parsed_2k33 1
45 1 . . . . . . . 2.3 parsed_2k33 1
46 1 . . . . . . . 3.2 parsed_2k33 1
47 1 . . . . . . . 2.3 parsed_2k33 1
48 1 . . . . . . . 3.2 parsed_2k33 1
49 1 . . . . . . . 2.3 parsed_2k33 1
50 1 . . . . . . . 3.2 parsed_2k33 1
51 1 . . . . . . . 2.3 parsed_2k33 1
52 1 . . . . . . . 3.2 parsed_2k33 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 "######################################################" 2 1 2 56 parsed_2k33 1
2 H-bonds 3 1 3 9 parsed_2k33 1
3 "---------------between beta-1 and beta-8" 14 1 14 42 parsed_2k33 1
4 "97 VAL H 4 ILE O 2.3" 23 1 23 42 parsed_2k33 1
5 "97 VAL N 4 ILE O 3.2" 24 1 24 42 parsed_2k33 1
6 "---------------between beta-2 and beta-7" 26 1 26 42 parsed_2k33 1
7 "---------------between beta-2 and beta-4" 38 1 38 42 parsed_2k33 1
8 "14 ASN H 31 ILE O 2.3 #" 47 1 47 41 parsed_2k33 1
9 "14 ASN N 31 ILE O 3.2" 48 1 48 40 parsed_2k33 1
10 "31 ILE H 14 ASN O 2.3 #" 50 1 50 36 parsed_2k33 1
11 "31 ILE N 14 ASN O 3.2" 51 1 51 34 parsed_2k33 1
12 "---------------between beta-3 and beta-6" 56 1 56 42 parsed_2k33 1
13 "---------------between beta-4 and beta-5" 69 1 69 42 parsed_2k33 1
14 "---------------between beta-6 and beta-8" 84 1 84 42 parsed_2k33 1
stop_
save_
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