NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
33557 |
1ih9   |
4993 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 60 |
data_1ih9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ih9
_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_1ih9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ih9
_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 1ih9 "Master copy" parsed_1ih9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ih9
_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 1ih9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ih9 1
1 1ih9.mr . . DYANA/DIANA 2 distance NOE simple 132 parsed_1ih9 1
1 1ih9.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 60 parsed_1ih9 1
1 1ih9.mr . . DYANA/DIANA 4 distance NOE simple 0 parsed_1ih9 1
1 1ih9.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1ih9 1
1 1ih9.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ih9 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ih9
_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_1ih9 1
2 1 . . . parsed_1ih9 1
3 1 . . . parsed_1ih9 1
4 1 . . . parsed_1ih9 1
5 1 . . . parsed_1ih9 1
6 1 . . . parsed_1ih9 1
7 1 . . . parsed_1ih9 1
8 1 . . . parsed_1ih9 1
9 1 . . . parsed_1ih9 1
10 1 . . . parsed_1ih9 1
11 1 . . . parsed_1ih9 1
12 1 . . . parsed_1ih9 1
13 1 . . . parsed_1ih9 1
14 1 . . . parsed_1ih9 1
15 1 . . . parsed_1ih9 1
16 1 . . . parsed_1ih9 1
17 1 . . . parsed_1ih9 1
18 1 . . . parsed_1ih9 1
19 1 . . . parsed_1ih9 1
20 1 . . . parsed_1ih9 1
21 1 . . . parsed_1ih9 1
22 1 . . . parsed_1ih9 1
23 1 . . . parsed_1ih9 1
24 1 . . . parsed_1ih9 1
25 1 . . . parsed_1ih9 1
26 1 . . . parsed_1ih9 1
27 1 . . . parsed_1ih9 1
28 1 . . . parsed_1ih9 1
29 1 . . . parsed_1ih9 1
30 1 . . . parsed_1ih9 1
31 1 . . . parsed_1ih9 1
32 1 . . . parsed_1ih9 1
33 1 . . . parsed_1ih9 1
34 1 . . . parsed_1ih9 1
35 1 . . . parsed_1ih9 1
36 1 . . . parsed_1ih9 1
37 1 . . . parsed_1ih9 1
38 1 . . . parsed_1ih9 1
39 1 . . . parsed_1ih9 1
40 1 . . . parsed_1ih9 1
41 1 . . . parsed_1ih9 1
42 1 . . . parsed_1ih9 1
43 1 . . . parsed_1ih9 1
44 1 . . . parsed_1ih9 1
45 1 . . . parsed_1ih9 1
46 1 . . . parsed_1ih9 1
47 1 . . . parsed_1ih9 1
48 1 . . . parsed_1ih9 1
49 1 . . . parsed_1ih9 1
50 1 . . . parsed_1ih9 1
51 1 . . . parsed_1ih9 1
52 1 . . . parsed_1ih9 1
53 1 . . . parsed_1ih9 1
54 1 . . . parsed_1ih9 1
55 1 . . . parsed_1ih9 1
56 1 . . . parsed_1ih9 1
57 1 . . . parsed_1ih9 1
58 1 . . . parsed_1ih9 1
59 1 . . . parsed_1ih9 1
60 1 . . . parsed_1ih9 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 GLY O parsed_1ih9 1
1 1 2 . . . . . . . . . 5 IVA HN parsed_1ih9 1
2 1 1 . . . . . . . . . 1 GLY C parsed_1ih9 1
2 1 2 . . . . . . . . . 5 IVA HN parsed_1ih9 1
3 1 1 . . . . . . . . . 1 GLY O parsed_1ih9 1
3 1 2 . . . . . . . . . 5 IVA N parsed_1ih9 1
4 1 1 . . . . . . . . . 2 TRP O parsed_1ih9 1
4 1 2 . . . . . . . . . 6 ILE HN parsed_1ih9 1
5 1 1 . . . . . . . . . 2 TRP C parsed_1ih9 1
5 1 2 . . . . . . . . . 6 ILE HN parsed_1ih9 1
6 1 1 . . . . . . . . . 2 TRP O parsed_1ih9 1
6 1 2 . . . . . . . . . 6 ILE N parsed_1ih9 1
7 1 1 . . . . . . . . . 3 ILE O parsed_1ih9 1
7 1 2 . . . . . . . . . 7 THR HN parsed_1ih9 1
8 1 1 . . . . . . . . . 3 ILE C parsed_1ih9 1
8 1 2 . . . . . . . . . 7 THR HN parsed_1ih9 1
9 1 1 . . . . . . . . . 3 ILE O parsed_1ih9 1
9 1 2 . . . . . . . . . 7 THR N parsed_1ih9 1
10 1 1 . . . . . . . . . 4 GLN O parsed_1ih9 1
10 1 2 . . . . . . . . . 8 AIB HN parsed_1ih9 1
11 1 1 . . . . . . . . . 4 GLN C parsed_1ih9 1
11 1 2 . . . . . . . . . 8 AIB HN parsed_1ih9 1
12 1 1 . . . . . . . . . 4 GLN O parsed_1ih9 1
12 1 2 . . . . . . . . . 8 AIB N parsed_1ih9 1
13 1 1 . . . . . . . . . 5 IVA O parsed_1ih9 1
13 1 2 . . . . . . . . . 9 LEU HN parsed_1ih9 1
14 1 1 . . . . . . . . . 5 IVA C parsed_1ih9 1
14 1 2 . . . . . . . . . 9 LEU HN parsed_1ih9 1
15 1 1 . . . . . . . . . 5 IVA O parsed_1ih9 1
15 1 2 . . . . . . . . . 9 LEU N parsed_1ih9 1
16 1 1 . . . . . . . . . 7 THR O parsed_1ih9 1
16 1 2 . . . . . . . . . 10 AIB HN parsed_1ih9 1
17 1 1 . . . . . . . . . 7 THR C parsed_1ih9 1
17 1 2 . . . . . . . . . 10 AIB HN parsed_1ih9 1
18 1 1 . . . . . . . . . 7 THR O parsed_1ih9 1
18 1 2 . . . . . . . . . 10 AIB N parsed_1ih9 1
19 1 1 . . . . . . . . . 9 LEU O parsed_1ih9 1
19 1 2 . . . . . . . . . 12 GLN HN parsed_1ih9 1
20 1 1 . . . . . . . . . 9 LEU C parsed_1ih9 1
20 1 2 . . . . . . . . . 12 GLN HN parsed_1ih9 1
21 1 1 . . . . . . . . . 9 LEU O parsed_1ih9 1
21 1 2 . . . . . . . . . 12 GLN N parsed_1ih9 1
22 1 1 . . . . . . . . . 10 AIB O parsed_1ih9 1
22 1 2 . . . . . . . . . 13 AIB HN parsed_1ih9 1
23 1 1 . . . . . . . . . 10 AIB C parsed_1ih9 1
23 1 2 . . . . . . . . . 13 AIB HN parsed_1ih9 1
24 1 1 . . . . . . . . . 10 AIB O parsed_1ih9 1
24 1 2 . . . . . . . . . 13 AIB N parsed_1ih9 1
25 1 1 . . . . . . . . . 11 HYP O parsed_1ih9 1
25 1 2 . . . . . . . . . 15 AIB HN parsed_1ih9 1
26 1 1 . . . . . . . . . 11 HYP C parsed_1ih9 1
26 1 2 . . . . . . . . . 15 AIB HN parsed_1ih9 1
27 1 1 . . . . . . . . . 11 HYP O parsed_1ih9 1
27 1 2 . . . . . . . . . 15 AIB N parsed_1ih9 1
28 1 1 . . . . . . . . . 13 AIB O parsed_1ih9 1
28 1 2 . . . . . . . . . 17 PHE HN parsed_1ih9 1
29 1 1 . . . . . . . . . 13 AIB C parsed_1ih9 1
29 1 2 . . . . . . . . . 17 PHE HN parsed_1ih9 1
30 1 1 . . . . . . . . . 13 AIB O parsed_1ih9 1
30 1 2 . . . . . . . . . 17 PHE N parsed_1ih9 1
31 1 1 . . . . . . . . . 1 GLY O parsed_1ih9 1
31 1 2 . . . . . . . . . 5 IVA HN parsed_1ih9 1
32 1 1 . . . . . . . . . 1 GLY C parsed_1ih9 1
32 1 2 . . . . . . . . . 5 IVA HN parsed_1ih9 1
33 1 1 . . . . . . . . . 1 GLY O parsed_1ih9 1
33 1 2 . . . . . . . . . 5 IVA N parsed_1ih9 1
34 1 1 . . . . . . . . . 2 TRP O parsed_1ih9 1
34 1 2 . . . . . . . . . 6 ILE HN parsed_1ih9 1
35 1 1 . . . . . . . . . 2 TRP C parsed_1ih9 1
35 1 2 . . . . . . . . . 6 ILE HN parsed_1ih9 1
36 1 1 . . . . . . . . . 2 TRP O parsed_1ih9 1
36 1 2 . . . . . . . . . 6 ILE N parsed_1ih9 1
37 1 1 . . . . . . . . . 3 ILE O parsed_1ih9 1
37 1 2 . . . . . . . . . 7 THR HN parsed_1ih9 1
38 1 1 . . . . . . . . . 3 ILE C parsed_1ih9 1
38 1 2 . . . . . . . . . 7 THR HN parsed_1ih9 1
39 1 1 . . . . . . . . . 3 ILE O parsed_1ih9 1
39 1 2 . . . . . . . . . 7 THR N parsed_1ih9 1
40 1 1 . . . . . . . . . 4 GLN O parsed_1ih9 1
40 1 2 . . . . . . . . . 8 AIB HN parsed_1ih9 1
41 1 1 . . . . . . . . . 4 GLN C parsed_1ih9 1
41 1 2 . . . . . . . . . 8 AIB HN parsed_1ih9 1
42 1 1 . . . . . . . . . 4 GLN O parsed_1ih9 1
42 1 2 . . . . . . . . . 8 AIB N parsed_1ih9 1
43 1 1 . . . . . . . . . 5 IVA O parsed_1ih9 1
43 1 2 . . . . . . . . . 9 LEU HN parsed_1ih9 1
44 1 1 . . . . . . . . . 5 IVA C parsed_1ih9 1
44 1 2 . . . . . . . . . 9 LEU HN parsed_1ih9 1
45 1 1 . . . . . . . . . 5 IVA O parsed_1ih9 1
45 1 2 . . . . . . . . . 9 LEU N parsed_1ih9 1
46 1 1 . . . . . . . . . 7 THR O parsed_1ih9 1
46 1 2 . . . . . . . . . 10 AIB HN parsed_1ih9 1
47 1 1 . . . . . . . . . 7 THR C parsed_1ih9 1
47 1 2 . . . . . . . . . 10 AIB HN parsed_1ih9 1
48 1 1 . . . . . . . . . 7 THR O parsed_1ih9 1
48 1 2 . . . . . . . . . 10 AIB N parsed_1ih9 1
49 1 1 . . . . . . . . . 9 LEU O parsed_1ih9 1
49 1 2 . . . . . . . . . 12 GLN HN parsed_1ih9 1
50 1 1 . . . . . . . . . 9 LEU C parsed_1ih9 1
50 1 2 . . . . . . . . . 12 GLN HN parsed_1ih9 1
51 1 1 . . . . . . . . . 9 LEU O parsed_1ih9 1
51 1 2 . . . . . . . . . 12 GLN N parsed_1ih9 1
52 1 1 . . . . . . . . . 10 AIB O parsed_1ih9 1
52 1 2 . . . . . . . . . 13 AIB HN parsed_1ih9 1
53 1 1 . . . . . . . . . 10 AIB C parsed_1ih9 1
53 1 2 . . . . . . . . . 13 AIB HN parsed_1ih9 1
54 1 1 . . . . . . . . . 10 AIB O parsed_1ih9 1
54 1 2 . . . . . . . . . 13 AIB N parsed_1ih9 1
55 1 1 . . . . . . . . . 11 HYP O parsed_1ih9 1
55 1 2 . . . . . . . . . 15 AIB HN parsed_1ih9 1
56 1 1 . . . . . . . . . 11 HYP C parsed_1ih9 1
56 1 2 . . . . . . . . . 15 AIB HN parsed_1ih9 1
57 1 1 . . . . . . . . . 11 HYP O parsed_1ih9 1
57 1 2 . . . . . . . . . 15 AIB N parsed_1ih9 1
58 1 1 . . . . . . . . . 13 AIB O parsed_1ih9 1
58 1 2 . . . . . . . . . 17 PHE HN parsed_1ih9 1
59 1 1 . . . . . . . . . 13 AIB C parsed_1ih9 1
59 1 2 . . . . . . . . . 17 PHE HN parsed_1ih9 1
60 1 1 . . . . . . . . . 13 AIB O parsed_1ih9 1
60 1 2 . . . . . . . . . 17 PHE N parsed_1ih9 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 . . . . . . . 2.30 parsed_1ih9 1
2 1 . . . . . . . 3.52 parsed_1ih9 1
3 1 . . . . . . . 3.30 parsed_1ih9 1
4 1 . . . . . . . 2.30 parsed_1ih9 1
5 1 . . . . . . . 3.52 parsed_1ih9 1
6 1 . . . . . . . 3.30 parsed_1ih9 1
7 1 . . . . . . . 2.30 parsed_1ih9 1
8 1 . . . . . . . 3.52 parsed_1ih9 1
9 1 . . . . . . . 3.30 parsed_1ih9 1
10 1 . . . . . . . 2.30 parsed_1ih9 1
11 1 . . . . . . . 3.52 parsed_1ih9 1
12 1 . . . . . . . 3.30 parsed_1ih9 1
13 1 . . . . . . . 2.30 parsed_1ih9 1
14 1 . . . . . . . 3.52 parsed_1ih9 1
15 1 . . . . . . . 3.30 parsed_1ih9 1
16 1 . . . . . . . 2.40 parsed_1ih9 1
17 1 . . . . . . . 3.52 parsed_1ih9 1
18 1 . . . . . . . 3.39 parsed_1ih9 1
19 1 . . . . . . . 2.40 parsed_1ih9 1
20 1 . . . . . . . 3.52 parsed_1ih9 1
21 1 . . . . . . . 3.39 parsed_1ih9 1
22 1 . . . . . . . 2.40 parsed_1ih9 1
23 1 . . . . . . . 3.52 parsed_1ih9 1
24 1 . . . . . . . 3.39 parsed_1ih9 1
25 1 . . . . . . . 2.30 parsed_1ih9 1
26 1 . . . . . . . 3.52 parsed_1ih9 1
27 1 . . . . . . . 3.30 parsed_1ih9 1
28 1 . . . . . . . 2.30 parsed_1ih9 1
29 1 . . . . . . . 3.52 parsed_1ih9 1
30 1 . . . . . . . 3.30 parsed_1ih9 1
31 1 . . . . . . . 1.80 parsed_1ih9 1
32 1 . . . . . . . 2.64 parsed_1ih9 1
33 1 . . . . . . . 2.56 parsed_1ih9 1
34 1 . . . . . . . 1.80 parsed_1ih9 1
35 1 . . . . . . . 2.64 parsed_1ih9 1
36 1 . . . . . . . 2.56 parsed_1ih9 1
37 1 . . . . . . . 1.80 parsed_1ih9 1
38 1 . . . . . . . 2.64 parsed_1ih9 1
39 1 . . . . . . . 2.56 parsed_1ih9 1
40 1 . . . . . . . 1.80 parsed_1ih9 1
41 1 . . . . . . . 2.64 parsed_1ih9 1
42 1 . . . . . . . 2.56 parsed_1ih9 1
43 1 . . . . . . . 1.80 parsed_1ih9 1
44 1 . . . . . . . 2.64 parsed_1ih9 1
45 1 . . . . . . . 2.56 parsed_1ih9 1
46 1 . . . . . . . 1.90 parsed_1ih9 1
47 1 . . . . . . . 2.26 parsed_1ih9 1
48 1 . . . . . . . 2.66 parsed_1ih9 1
49 1 . . . . . . . 1.90 parsed_1ih9 1
50 1 . . . . . . . 2.26 parsed_1ih9 1
51 1 . . . . . . . 2.66 parsed_1ih9 1
52 1 . . . . . . . 1.90 parsed_1ih9 1
53 1 . . . . . . . 2.26 parsed_1ih9 1
54 1 . . . . . . . 2.66 parsed_1ih9 1
55 1 . . . . . . . 1.80 parsed_1ih9 1
56 1 . . . . . . . 2.64 parsed_1ih9 1
57 1 . . . . . . . 2.56 parsed_1ih9 1
58 1 . . . . . . . 1.80 parsed_1ih9 1
59 1 . . . . . . . 2.64 parsed_1ih9 1
60 1 . . . . . . . 2.56 parsed_1ih9 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 "Upl restraints for hydrogen bonds" 1 1 1 34 parsed_1ih9 1
2 "HN5 alpha" 2 1 2 10 parsed_1ih9 1
3 "HN6 alpha" 7 1 7 10 parsed_1ih9 1
4 "HN7 alpha" 12 1 12 10 parsed_1ih9 1
5 "HN8 alpha" 17 1 17 10 parsed_1ih9 1
6 "HN9 alpha" 22 1 22 10 parsed_1ih9 1
7 HN10 27 1 27 5 parsed_1ih9 1
8 "3-10 not bifurcated" 28 1 28 20 parsed_1ih9 1
9 HN12 33 1 33 5 parsed_1ih9 1
10 "3-10 not bifurcated" 34 1 34 20 parsed_1ih9 1
11 HN13 39 1 39 5 parsed_1ih9 1
12 "3-10 not bifurcated" 40 1 40 20 parsed_1ih9 1
13 "HN15 alpha" 45 1 45 11 parsed_1ih9 1
14 "HN17 alpha" 50 1 50 11 parsed_1ih9 1
15 "Lol restraints for hydrogen bonds" 56 1 56 34 parsed_1ih9 1
16 "Recomended constraint for restriction 5->1 bonds:" 57 1 57 50 parsed_1ih9 1
17 "min_H-O 1.80 max_H-O 2.30 min_N-O 2.56 max_N-O 3.30 min_H-C 2.64 max_H-C 3.52" 58 1 58 83 parsed_1ih9 1
18 "Recomended constraint for restriction 4->1 bonds:" 59 1 59 50 parsed_1ih9 1
19 "min_H-O 1.90 max_H-O 2.40 min_N-O 2.66 max_N-O 3.39 min_H-C 2.26 max_H-C 3.52" 60 1 60 83 parsed_1ih9 1
20 "Recomended constraint for restriction bifurcated 4->1 bonds:" 61 1 61 61 parsed_1ih9 1
21 "min_H-O 1.90 max_H-O 2.50 min_N-O 2.43 max_N-O 3.49 min_H-C 2.26 max_H-C 3.62" 62 1 62 83 parsed_1ih9 1
22 "HN5 alpa" 64 1 64 9 parsed_1ih9 1
23 "HN6 alpha" 69 1 69 10 parsed_1ih9 1
24 "HN7 alpha" 74 1 74 10 parsed_1ih9 1
25 "HN8 alpha" 79 1 79 10 parsed_1ih9 1
26 "HN9 alpha" 84 1 84 10 parsed_1ih9 1
27 HN10 89 1 89 5 parsed_1ih9 1
28 "3-10 not bifurcated" 90 1 90 20 parsed_1ih9 1
29 HN12 95 1 95 5 parsed_1ih9 1
30 "3-10 not bifurcated" 96 1 96 20 parsed_1ih9 1
31 HN13 101 1 101 5 parsed_1ih9 1
32 "3-10 not bifurcated" 102 1 102 20 parsed_1ih9 1
33 "HN15 alpha" 107 1 107 11 parsed_1ih9 1
34 "HN17 alpha" 112 1 112 11 parsed_1ih9 1
stop_
save_
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