NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
619533 |
5u9b   |
30210 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 56 |
data_5u9b_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5u9b
_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_5u9b 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5u9b
_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 5u9b "Master copy" parsed_5u9b
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5u9b
_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 5u9b.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5u9b 1
1 5u9b.mr . . DYANA/DIANA 2 distance "general distance" simple 6 parsed_5u9b 1
1 5u9b.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 234 parsed_5u9b 1
1 5u9b.mr . . DYANA/DIANA 4 distance NOE simple 567 parsed_5u9b 1
1 5u9b.mr . . DYANA/DIANA 5 distance "general distance" simple 10 parsed_5u9b 1
1 5u9b.mr . . DYANA/DIANA 6 distance NOE simple 77 parsed_5u9b 1
1 5u9b.mr . . DYANA/DIANA 7 distance "hydrogen bond" simple 56 parsed_5u9b 1
1 5u9b.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5u9b 1
stop_
save_
save_DYANA/DIANA_distance_constraints_7
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5u9b
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
_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_5u9b 1
2 1 . . . parsed_5u9b 1
3 1 . . . parsed_5u9b 1
4 1 . . . parsed_5u9b 1
5 1 . . . parsed_5u9b 1
6 1 . . . parsed_5u9b 1
7 1 . . . parsed_5u9b 1
8 1 . . . parsed_5u9b 1
9 1 . . . parsed_5u9b 1
10 1 . . . parsed_5u9b 1
11 1 . . . parsed_5u9b 1
12 1 . . . parsed_5u9b 1
13 1 . . . parsed_5u9b 1
14 1 . . . parsed_5u9b 1
15 1 . . . parsed_5u9b 1
16 1 . . . parsed_5u9b 1
17 1 . . . parsed_5u9b 1
18 1 . . . parsed_5u9b 1
19 1 . . . parsed_5u9b 1
20 1 . . . parsed_5u9b 1
21 1 . . . parsed_5u9b 1
22 1 . . . parsed_5u9b 1
23 1 . . . parsed_5u9b 1
24 1 . . . parsed_5u9b 1
25 1 . . . parsed_5u9b 1
26 1 . . . parsed_5u9b 1
27 1 . . . parsed_5u9b 1
28 1 . . . parsed_5u9b 1
29 1 . . . parsed_5u9b 1
30 1 . . . parsed_5u9b 1
31 1 . . . parsed_5u9b 1
32 1 . . . parsed_5u9b 1
33 1 . . . parsed_5u9b 1
34 1 . . . parsed_5u9b 1
35 1 . . . parsed_5u9b 1
36 1 . . . parsed_5u9b 1
37 1 . . . parsed_5u9b 1
38 1 . . . parsed_5u9b 1
39 1 . . . parsed_5u9b 1
40 1 . . . parsed_5u9b 1
41 1 . . . parsed_5u9b 1
42 1 . . . parsed_5u9b 1
43 1 . . . parsed_5u9b 1
44 1 . . . parsed_5u9b 1
45 1 . . . parsed_5u9b 1
46 1 . . . parsed_5u9b 1
47 1 . . . parsed_5u9b 1
48 1 . . . parsed_5u9b 1
49 1 . . . parsed_5u9b 1
50 1 . . . parsed_5u9b 1
51 1 . . . parsed_5u9b 1
52 1 . . . parsed_5u9b 1
53 1 . . . parsed_5u9b 1
54 1 . . . parsed_5u9b 1
55 1 . . . parsed_5u9b 1
56 1 . . . parsed_5u9b 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 . . . . . . . . . 15 THR H parsed_5u9b 1
1 1 2 . . . . . . . . . 11 THR O parsed_5u9b 1
2 1 1 . . . . . . . . . 15 THR N parsed_5u9b 1
2 1 2 . . . . . . . . . 11 THR O parsed_5u9b 1
3 1 1 . . . . . . . . . 16 LEU H parsed_5u9b 1
3 1 2 . . . . . . . . . 50 VAL O parsed_5u9b 1
4 1 1 . . . . . . . . . 16 LEU N parsed_5u9b 1
4 1 2 . . . . . . . . . 50 VAL O parsed_5u9b 1
5 1 1 . . . . . . . . . 18 VAL H parsed_5u9b 1
5 1 2 . . . . . . . . . 48 GLY O parsed_5u9b 1
6 1 1 . . . . . . . . . 18 VAL N parsed_5u9b 1
6 1 2 . . . . . . . . . 48 GLY O parsed_5u9b 1
7 1 1 . . . . . . . . . 19 CYS H parsed_5u9b 1
7 1 2 . . . . . . . . . 37 ALA O parsed_5u9b 1
8 1 1 . . . . . . . . . 19 CYS N parsed_5u9b 1
8 1 2 . . . . . . . . . 37 ALA O parsed_5u9b 1
9 1 1 . . . . . . . . . 37 ALA H parsed_5u9b 1
9 1 2 . . . . . . . . . 17 GLU- O parsed_5u9b 1
10 1 1 . . . . . . . . . 37 ALA N parsed_5u9b 1
10 1 2 . . . . . . . . . 17 GLU- O parsed_5u9b 1
11 1 1 . . . . . . . . . 49 ARG H parsed_5u9b 1
11 1 2 . . . . . . . . . 46 GLU- O parsed_5u9b 1
12 1 1 . . . . . . . . . 49 ARG N parsed_5u9b 1
12 1 2 . . . . . . . . . 46 GLU- O parsed_5u9b 1
13 1 1 . . . . . . . . . 50 VAL H parsed_5u9b 1
13 1 2 . . . . . . . . . 16 LEU O parsed_5u9b 1
14 1 1 . . . . . . . . . 50 VAL N parsed_5u9b 1
14 1 2 . . . . . . . . . 16 LEU O parsed_5u9b 1
15 1 1 . . . . . . . . . 52 ALA H parsed_5u9b 1
15 1 2 . . . . . . . . . 14 LEU O parsed_5u9b 1
16 1 1 . . . . . . . . . 52 ALA N parsed_5u9b 1
16 1 2 . . . . . . . . . 14 LEU O parsed_5u9b 1
17 1 1 . . . . . . . . . 53 CYS H parsed_5u9b 1
17 1 2 . . . . . . . . . 69 LEU O parsed_5u9b 1
18 1 1 . . . . . . . . . 53 CYS N parsed_5u9b 1
18 1 2 . . . . . . . . . 69 LEU O parsed_5u9b 1
19 1 1 . . . . . . . . . 57 LEU H parsed_5u9b 1
19 1 2 . . . . . . . . . 53 CYS O parsed_5u9b 1
20 1 1 . . . . . . . . . 57 LEU N parsed_5u9b 1
20 1 2 . . . . . . . . . 53 CYS O parsed_5u9b 1
21 1 1 . . . . . . . . . 69 LEU H parsed_5u9b 1
21 1 2 . . . . . . . . . 51 ILE O parsed_5u9b 1
22 1 1 . . . . . . . . . 69 LEU N parsed_5u9b 1
22 1 2 . . . . . . . . . 51 ILE O parsed_5u9b 1
23 1 1 . . . . . . . . . 75 LEU O parsed_5u9b 1
23 1 2 . . . . . . . . . 79 LEU H parsed_5u9b 1
24 1 1 . . . . . . . . . 75 LEU O parsed_5u9b 1
24 1 2 . . . . . . . . . 79 LEU N parsed_5u9b 1
25 1 1 . . . . . . . . . 76 LYS+ O parsed_5u9b 1
25 1 2 . . . . . . . . . 80 GLU- H parsed_5u9b 1
26 1 1 . . . . . . . . . 76 LYS+ O parsed_5u9b 1
26 1 2 . . . . . . . . . 80 GLU- N parsed_5u9b 1
27 1 1 . . . . . . . . . 77 THR O parsed_5u9b 1
27 1 2 . . . . . . . . . 81 ILE H parsed_5u9b 1
28 1 1 . . . . . . . . . 77 THR O parsed_5u9b 1
28 1 2 . . . . . . . . . 81 ILE N parsed_5u9b 1
29 1 1 . . . . . . . . . 15 THR H parsed_5u9b 1
29 1 2 . . . . . . . . . 11 THR O parsed_5u9b 1
30 1 1 . . . . . . . . . 15 THR N parsed_5u9b 1
30 1 2 . . . . . . . . . 11 THR O parsed_5u9b 1
31 1 1 . . . . . . . . . 16 LEU H parsed_5u9b 1
31 1 2 . . . . . . . . . 50 VAL O parsed_5u9b 1
32 1 1 . . . . . . . . . 16 LEU N parsed_5u9b 1
32 1 2 . . . . . . . . . 50 VAL O parsed_5u9b 1
33 1 1 . . . . . . . . . 18 VAL H parsed_5u9b 1
33 1 2 . . . . . . . . . 48 GLY O parsed_5u9b 1
34 1 1 . . . . . . . . . 18 VAL N parsed_5u9b 1
34 1 2 . . . . . . . . . 48 GLY O parsed_5u9b 1
35 1 1 . . . . . . . . . 19 CYS H parsed_5u9b 1
35 1 2 . . . . . . . . . 37 ALA O parsed_5u9b 1
36 1 1 . . . . . . . . . 19 CYS N parsed_5u9b 1
36 1 2 . . . . . . . . . 37 ALA O parsed_5u9b 1
37 1 1 . . . . . . . . . 37 ALA H parsed_5u9b 1
37 1 2 . . . . . . . . . 17 GLU- O parsed_5u9b 1
38 1 1 . . . . . . . . . 37 ALA N parsed_5u9b 1
38 1 2 . . . . . . . . . 17 GLU- O parsed_5u9b 1
39 1 1 . . . . . . . . . 49 ARG H parsed_5u9b 1
39 1 2 . . . . . . . . . 46 GLU- O parsed_5u9b 1
40 1 1 . . . . . . . . . 49 ARG N parsed_5u9b 1
40 1 2 . . . . . . . . . 46 GLU- O parsed_5u9b 1
41 1 1 . . . . . . . . . 50 VAL H parsed_5u9b 1
41 1 2 . . . . . . . . . 16 LEU O parsed_5u9b 1
42 1 1 . . . . . . . . . 50 VAL N parsed_5u9b 1
42 1 2 . . . . . . . . . 16 LEU O parsed_5u9b 1
43 1 1 . . . . . . . . . 52 ALA H parsed_5u9b 1
43 1 2 . . . . . . . . . 14 LEU O parsed_5u9b 1
44 1 1 . . . . . . . . . 52 ALA N parsed_5u9b 1
44 1 2 . . . . . . . . . 14 LEU O parsed_5u9b 1
45 1 1 . . . . . . . . . 53 CYS H parsed_5u9b 1
45 1 2 . . . . . . . . . 69 LEU O parsed_5u9b 1
46 1 1 . . . . . . . . . 53 CYS N parsed_5u9b 1
46 1 2 . . . . . . . . . 69 LEU O parsed_5u9b 1
47 1 1 . . . . . . . . . 57 LEU H parsed_5u9b 1
47 1 2 . . . . . . . . . 53 CYS O parsed_5u9b 1
48 1 1 . . . . . . . . . 57 LEU N parsed_5u9b 1
48 1 2 . . . . . . . . . 53 CYS O parsed_5u9b 1
49 1 1 . . . . . . . . . 69 LEU H parsed_5u9b 1
49 1 2 . . . . . . . . . 51 ILE O parsed_5u9b 1
50 1 1 . . . . . . . . . 69 LEU N parsed_5u9b 1
50 1 2 . . . . . . . . . 51 ILE O parsed_5u9b 1
51 1 1 . . . . . . . . . 75 LEU O parsed_5u9b 1
51 1 2 . . . . . . . . . 79 LEU H parsed_5u9b 1
52 1 1 . . . . . . . . . 75 LEU O parsed_5u9b 1
52 1 2 . . . . . . . . . 79 LEU N parsed_5u9b 1
53 1 1 . . . . . . . . . 76 LYS+ O parsed_5u9b 1
53 1 2 . . . . . . . . . 80 GLU- H parsed_5u9b 1
54 1 1 . . . . . . . . . 76 LYS+ O parsed_5u9b 1
54 1 2 . . . . . . . . . 80 GLU- N parsed_5u9b 1
55 1 1 . . . . . . . . . 77 THR O parsed_5u9b 1
55 1 2 . . . . . . . . . 81 ILE H parsed_5u9b 1
56 1 1 . . . . . . . . . 77 THR O parsed_5u9b 1
56 1 2 . . . . . . . . . 81 ILE N parsed_5u9b 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_5u9b 1
2 1 . . . . . . . 2.80 parsed_5u9b 1
3 1 . . . . . . . 1.80 parsed_5u9b 1
4 1 . . . . . . . 2.80 parsed_5u9b 1
5 1 . . . . . . . 1.80 parsed_5u9b 1
6 1 . . . . . . . 2.80 parsed_5u9b 1
7 1 . . . . . . . 1.80 parsed_5u9b 1
8 1 . . . . . . . 2.80 parsed_5u9b 1
9 1 . . . . . . . 1.80 parsed_5u9b 1
10 1 . . . . . . . 2.80 parsed_5u9b 1
11 1 . . . . . . . 1.80 parsed_5u9b 1
12 1 . . . . . . . 2.80 parsed_5u9b 1
13 1 . . . . . . . 1.80 parsed_5u9b 1
14 1 . . . . . . . 2.80 parsed_5u9b 1
15 1 . . . . . . . 1.80 parsed_5u9b 1
16 1 . . . . . . . 2.80 parsed_5u9b 1
17 1 . . . . . . . 1.80 parsed_5u9b 1
18 1 . . . . . . . 2.80 parsed_5u9b 1
19 1 . . . . . . . 1.80 parsed_5u9b 1
20 1 . . . . . . . 2.80 parsed_5u9b 1
21 1 . . . . . . . 1.80 parsed_5u9b 1
22 1 . . . . . . . 2.80 parsed_5u9b 1
23 1 . . . . . . . 1.80 parsed_5u9b 1
24 1 . . . . . . . 2.80 parsed_5u9b 1
25 1 . . . . . . . 1.80 parsed_5u9b 1
26 1 . . . . . . . 2.80 parsed_5u9b 1
27 1 . . . . . . . 1.80 parsed_5u9b 1
28 1 . . . . . . . 2.80 parsed_5u9b 1
29 1 . . . . . . . 2.10 parsed_5u9b 1
30 1 . . . . . . . 3.10 parsed_5u9b 1
31 1 . . . . . . . 2.10 parsed_5u9b 1
32 1 . . . . . . . 3.10 parsed_5u9b 1
33 1 . . . . . . . 2.10 parsed_5u9b 1
34 1 . . . . . . . 3.10 parsed_5u9b 1
35 1 . . . . . . . 2.10 parsed_5u9b 1
36 1 . . . . . . . 3.10 parsed_5u9b 1
37 1 . . . . . . . 2.10 parsed_5u9b 1
38 1 . . . . . . . 3.10 parsed_5u9b 1
39 1 . . . . . . . 2.10 parsed_5u9b 1
40 1 . . . . . . . 3.10 parsed_5u9b 1
41 1 . . . . . . . 2.10 parsed_5u9b 1
42 1 . . . . . . . 3.10 parsed_5u9b 1
43 1 . . . . . . . 2.10 parsed_5u9b 1
44 1 . . . . . . . 3.10 parsed_5u9b 1
45 1 . . . . . . . 2.10 parsed_5u9b 1
46 1 . . . . . . . 3.20 parsed_5u9b 1
47 1 . . . . . . . 2.10 parsed_5u9b 1
48 1 . . . . . . . 3.20 parsed_5u9b 1
49 1 . . . . . . . 2.10 parsed_5u9b 1
50 1 . . . . . . . 3.20 parsed_5u9b 1
51 1 . . . . . . . 2.10 parsed_5u9b 1
52 1 . . . . . . . 3.10 parsed_5u9b 1
53 1 . . . . . . . 2.10 parsed_5u9b 1
54 1 . . . . . . . 3.10 parsed_5u9b 1
55 1 . . . . . . . 2.10 parsed_5u9b 1
56 1 . . . . . . . 3.10 parsed_5u9b 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 6: hbonds_mbnl12_Dec_2011.lol" 1 1 1 47 parsed_5u9b 1
2 "14 LEU H 10 ASP O 1.80" 2 1 2 37 parsed_5u9b 1
3 "14 LEU N 10 ASP O 2.80" 3 1 3 37 parsed_5u9b 1
4 "22 PHE H ? O 1.80" 12 1 12 37 parsed_5u9b 1
5 "22 PHE N ? O 2.80" 13 1 13 37 parsed_5u9b 1
6 "29 ARG H RNA? O 1.80" 15 1 15 36 parsed_5u9b 1
7 "29 ARG N RNA? O 2.80" 16 1 16 36 parsed_5u9b 1
8 "36 PHE" 17 1 17 7 parsed_5u9b 1
9 "51 VAL" 24 1 24 7 parsed_5u9b 1
10 "55 ASP" 25 1 25 7 parsed_5u9b 1
11 "56 SER H 53 CYS O 1.80" 30 1 30 37 parsed_5u9b 1
12 "56 SER N 53 CYS O 2.80" 31 1 31 37 parsed_5u9b 1
13 "Restraints file 7: hbonds_mbnl12_Dec_2011.upl" 45 1 45 47 parsed_5u9b 1
14 "14 LEU H 10 ASP O 2.10" 46 1 46 40 parsed_5u9b 1
15 "14 LEU N 10 ASP O 3.10" 47 1 47 37 parsed_5u9b 1
16 "22 PHE H ? O 2.10" 56 1 56 37 parsed_5u9b 1
17 "22 PHE N ? O 3.10" 57 1 57 37 parsed_5u9b 1
18 "29 ARG H RNA? O 2.10" 59 1 59 36 parsed_5u9b 1
19 "29 ARG N RNA? O 3.10" 60 1 60 36 parsed_5u9b 1
20 "36 PHE" 61 1 61 7 parsed_5u9b 1
21 "51 VAL" 68 1 68 7 parsed_5u9b 1
22 "55 ASP" 69 1 69 7 parsed_5u9b 1
23 "56 SER H 53 CYS O 2.10" 74 1 74 37 parsed_5u9b 1
24 "56 SER N 53 CYS O 3.20" 75 1 75 37 parsed_5u9b 1
stop_
save_
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