NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
43451 |
2au4   |
6814 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 63 |
data_2au4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2au4
_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_2au4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2au4
_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 2au4 "Master copy" parsed_2au4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2au4
_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 2au4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2au4 1
1 2au4.mr . . XPLOR/CNS 2 distance NOE simple 157 parsed_2au4 1
1 2au4.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 63 parsed_2au4 1
1 2au4.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2au4 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2au4
_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_2au4 1
2 1 . . . parsed_2au4 1
3 1 . . . parsed_2au4 1
4 1 . . . parsed_2au4 1
5 1 . . . parsed_2au4 1
6 1 . . . parsed_2au4 1
7 1 . . . parsed_2au4 1
8 1 . . . parsed_2au4 1
9 1 . . . parsed_2au4 1
10 1 . . . parsed_2au4 1
11 1 . . . parsed_2au4 1
12 1 . . . parsed_2au4 1
13 1 . . . parsed_2au4 1
14 1 . . . parsed_2au4 1
15 1 . . . parsed_2au4 1
16 1 . . . parsed_2au4 1
17 1 . . . parsed_2au4 1
18 1 . . . parsed_2au4 1
19 1 . . . parsed_2au4 1
20 1 . . . parsed_2au4 1
21 1 . . . parsed_2au4 1
22 1 . . . parsed_2au4 1
23 1 . . . parsed_2au4 1
24 1 . . . parsed_2au4 1
25 1 . . . parsed_2au4 1
26 1 . . . parsed_2au4 1
27 1 . . . parsed_2au4 1
28 1 . . . parsed_2au4 1
29 1 . . . parsed_2au4 1
30 1 . . . parsed_2au4 1
31 1 . . . parsed_2au4 1
32 1 . . . parsed_2au4 1
33 1 . . . parsed_2au4 1
34 1 . . . parsed_2au4 1
35 1 . . . parsed_2au4 1
36 1 . . . parsed_2au4 1
37 1 . . . parsed_2au4 1
38 1 . . . parsed_2au4 1
39 1 . . . parsed_2au4 1
40 1 . . . parsed_2au4 1
41 1 . . . parsed_2au4 1
42 1 . . . parsed_2au4 1
43 1 . . . parsed_2au4 1
44 1 . . . parsed_2au4 1
45 1 . . . parsed_2au4 1
46 1 . . . parsed_2au4 1
47 1 . . . parsed_2au4 1
48 1 . . . parsed_2au4 1
49 1 . . . parsed_2au4 1
50 1 . . . parsed_2au4 1
51 1 . . . parsed_2au4 1
52 1 . . . parsed_2au4 1
53 1 . . . parsed_2au4 1
54 1 . . . parsed_2au4 1
55 1 . . . parsed_2au4 1
56 1 . . . parsed_2au4 1
57 1 . . . parsed_2au4 1
58 1 . . . parsed_2au4 1
59 1 . . . parsed_2au4 1
60 1 . . . parsed_2au4 1
61 1 . . . parsed_2au4 1
62 1 . . . parsed_2au4 1
63 1 . . . parsed_2au4 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 . n1 parsed_2au4 1
1 1 2 . . . . . . . . . 41 . n3 parsed_2au4 1
2 1 1 . . . . . . . . . 1 . o6 parsed_2au4 1
2 1 2 . . . . . . . . . 41 . n4 parsed_2au4 1
3 1 1 . . . . . . . . . 1 . n2 parsed_2au4 1
3 1 2 . . . . . . . . . 41 . o2 parsed_2au4 1
4 1 1 . . . . . . . . . 1 . n2 parsed_2au4 1
4 1 2 . . . . . . . . . 41 . n3 parsed_2au4 1
5 1 1 . . . . . . . . . 1 . o6 parsed_2au4 1
5 1 2 . . . . . . . . . 41 . o2 parsed_2au4 1
6 1 1 . . . . . . . . . 2 . n1 parsed_2au4 1
6 1 2 . . . . . . . . . 40 . n3 parsed_2au4 1
7 1 1 . . . . . . . . . 2 . o6 parsed_2au4 1
7 1 2 . . . . . . . . . 40 . n4 parsed_2au4 1
8 1 1 . . . . . . . . . 2 . n2 parsed_2au4 1
8 1 2 . . . . . . . . . 40 . o2 parsed_2au4 1
9 1 1 . . . . . . . . . 2 . n2 parsed_2au4 1
9 1 2 . . . . . . . . . 40 . n3 parsed_2au4 1
10 1 1 . . . . . . . . . 2 . o6 parsed_2au4 1
10 1 2 . . . . . . . . . 40 . o2 parsed_2au4 1
11 1 1 . . . . . . . . . 3 . n1 parsed_2au4 1
11 1 2 . . . . . . . . . 39 . n3 parsed_2au4 1
12 1 1 . . . . . . . . . 3 . o6 parsed_2au4 1
12 1 2 . . . . . . . . . 39 . n4 parsed_2au4 1
13 1 1 . . . . . . . . . 3 . n2 parsed_2au4 1
13 1 2 . . . . . . . . . 39 . o2 parsed_2au4 1
14 1 1 . . . . . . . . . 3 . n2 parsed_2au4 1
14 1 2 . . . . . . . . . 39 . n3 parsed_2au4 1
15 1 1 . . . . . . . . . 3 . o6 parsed_2au4 1
15 1 2 . . . . . . . . . 39 . o2 parsed_2au4 1
16 1 1 . . . . . . . . . 38 . o4 parsed_2au4 1
16 1 2 . . . . . . . . . 4 . n6 parsed_2au4 1
17 1 1 . . . . . . . . . 38 . n3 parsed_2au4 1
17 1 2 . . . . . . . . . 4 . n1 parsed_2au4 1
18 1 1 . . . . . . . . . 38 . o4 parsed_2au4 1
18 1 2 . . . . . . . . . 4 . n1 parsed_2au4 1
19 1 1 . . . . . . . . . 38 . o2 parsed_2au4 1
19 1 2 . . . . . . . . . 4 . n6 parsed_2au4 1
20 1 1 . . . . . . . . . 5 . n4 parsed_2au4 1
20 1 2 . . . . . . . . . 37 . o6 parsed_2au4 1
21 1 1 . . . . . . . . . 5 . n3 parsed_2au4 1
21 1 2 . . . . . . . . . 37 . n1 parsed_2au4 1
22 1 1 . . . . . . . . . 5 . o2 parsed_2au4 1
22 1 2 . . . . . . . . . 37 . n2 parsed_2au4 1
23 1 1 . . . . . . . . . 5 . n3 parsed_2au4 1
23 1 2 . . . . . . . . . 37 . n2 parsed_2au4 1
24 1 1 . . . . . . . . . 5 . o2 parsed_2au4 1
24 1 2 . . . . . . . . . 37 . o6 parsed_2au4 1
25 1 1 . . . . . . . . . 6 . n1 parsed_2au4 1
25 1 2 . . . . . . . . . 36 . n3 parsed_2au4 1
26 1 1 . . . . . . . . . 6 . o6 parsed_2au4 1
26 1 2 . . . . . . . . . 36 . n4 parsed_2au4 1
27 1 1 . . . . . . . . . 6 . n2 parsed_2au4 1
27 1 2 . . . . . . . . . 36 . o2 parsed_2au4 1
28 1 1 . . . . . . . . . 6 . n2 parsed_2au4 1
28 1 2 . . . . . . . . . 36 . n3 parsed_2au4 1
29 1 1 . . . . . . . . . 6 . o6 parsed_2au4 1
29 1 2 . . . . . . . . . 36 . o2 parsed_2au4 1
30 1 1 . . . . . . . . . 19 . n1 parsed_2au4 1
30 1 2 . . . . . . . . . 26 . n3 parsed_2au4 1
31 1 1 . . . . . . . . . 19 . o6 parsed_2au4 1
31 1 2 . . . . . . . . . 26 . n4 parsed_2au4 1
32 1 1 . . . . . . . . . 19 . n2 parsed_2au4 1
32 1 2 . . . . . . . . . 26 . o2 parsed_2au4 1
33 1 1 . . . . . . . . . 19 . n2 parsed_2au4 1
33 1 2 . . . . . . . . . 26 . n3 parsed_2au4 1
34 1 1 . . . . . . . . . 19 . o6 parsed_2au4 1
34 1 2 . . . . . . . . . 26 . o2 parsed_2au4 1
35 1 1 . . . . . . . . . 25 . n1 parsed_2au4 1
35 1 2 . . . . . . . . . 20 . n3 parsed_2au4 1
36 1 1 . . . . . . . . . 25 . o6 parsed_2au4 1
36 1 2 . . . . . . . . . 20 . n4 parsed_2au4 1
37 1 1 . . . . . . . . . 25 . n2 parsed_2au4 1
37 1 2 . . . . . . . . . 20 . o2 parsed_2au4 1
38 1 1 . . . . . . . . . 25 . n2 parsed_2au4 1
38 1 2 . . . . . . . . . 20 . n3 parsed_2au4 1
39 1 1 . . . . . . . . . 25 . o6 parsed_2au4 1
39 1 2 . . . . . . . . . 20 . o2 parsed_2au4 1
40 1 1 . . . . . . . . . 21 . c2' parsed_2au4 1
40 1 2 . . . . . . . . . 22 . c6 parsed_2au4 1
41 1 1 . . . . . . . . . 21 . o2' parsed_2au4 1
41 1 2 . . . . . . . . . 22 . c2' parsed_2au4 1
42 1 1 . . . . . . . . . 21 . c3' parsed_2au4 1
42 1 2 . . . . . . . . . 22 . c6 parsed_2au4 1
43 1 1 . . . . . . . . . 21 . c3' parsed_2au4 1
43 1 2 . . . . . . . . . 22 . c2' parsed_2au4 1
44 1 1 . . . . . . . . . 22 . c2' parsed_2au4 1
44 1 2 . . . . . . . . . 22 . c6 parsed_2au4 1
45 1 1 . . . . . . . . . 22 . c3' parsed_2au4 1
45 1 2 . . . . . . . . . 22 . c6 parsed_2au4 1
46 1 1 . . . . . . . . . 23 . c6 parsed_2au4 1
46 1 2 . . . . . . . . . 23 . c3' parsed_2au4 1
47 1 1 . . . . . . . . . 23 . c6 parsed_2au4 1
47 1 2 . . . . . . . . . 23 . c2' parsed_2au4 1
48 1 1 . . . . . . . . . 23 . c1' parsed_2au4 1
48 1 2 . . . . . . . . . 21 . o2' parsed_2au4 1
49 1 1 . . . . . . . . . 23 . c6 parsed_2au4 1
49 1 2 . . . . . . . . . 24 . n1 parsed_2au4 1
50 1 1 . . . . . . . . . 23 . c1' parsed_2au4 1
50 1 2 . . . . . . . . . 24 . n1 parsed_2au4 1
51 1 1 . . . . . . . . . 23 . c4' parsed_2au4 1
51 1 2 . . . . . . . . . 24 . n1 parsed_2au4 1
52 1 1 . . . . . . . . . 23 . c6 parsed_2au4 1
52 1 2 . . . . . . . . . 24 . o6 parsed_2au4 1
53 1 1 . . . . . . . . . 23 . o2 parsed_2au4 1
53 1 2 . . . . . . . . . 24 . n1 parsed_2au4 1
54 1 1 . . . . . . . . . 23 . o2 parsed_2au4 1
54 1 2 . . . . . . . . . 24 . n2 parsed_2au4 1
55 1 1 . . . . . . . . . 23 . c6 parsed_2au4 1
55 1 2 . . . . . . . . . 21 . c2' parsed_2au4 1
56 1 1 . . . . . . . . . 24 . n1 parsed_2au4 1
56 1 2 . . . . . . . . . 21 . o2 parsed_2au4 1
57 1 1 . . . . . . . . . 24 . o6 parsed_2au4 1
57 1 2 . . . . . . . . . 21 . o2 parsed_2au4 1
58 1 1 . . . . . . . . . 24 . n1 parsed_2au4 1
58 1 2 . . . . . . . . . 21 . n3 parsed_2au4 1
59 1 1 . . . . . . . . . 24 . n2 parsed_2au4 1
59 1 2 . . . . . . . . . 21 . n3 parsed_2au4 1
60 1 1 . . . . . . . . . 24 . n2 parsed_2au4 1
60 1 2 . . . . . . . . . 21 . o2 parsed_2au4 1
61 1 1 . . . . . . . . . 24 . n2 parsed_2au4 1
61 1 2 . . . . . . . . . 21 . n1 parsed_2au4 1
62 1 1 . . . . . . . . . 24 . n1 parsed_2au4 1
62 1 2 . . . . . . . . . 21 . o2' parsed_2au4 1
63 1 1 . . . . . . . . . 24 . o6 parsed_2au4 1
63 1 2 . . . . . . . . . 21 . o2' parsed_2au4 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 . . . . . 2.95 2.94 2.96 parsed_2au4 1
2 1 . . . . . 2.91 2.90 2.92 parsed_2au4 1
3 1 . . . . . 2.86 2.85 2.87 parsed_2au4 1
4 1 . . . . . 3.65 3.64 3.66 parsed_2au4 1
5 1 . . . . . 5.42 5.41 5.43 parsed_2au4 1
6 1 . . . . . 2.95 2.94 2.96 parsed_2au4 1
7 1 . . . . . 2.91 2.90 2.92 parsed_2au4 1
8 1 . . . . . 2.86 2.85 2.87 parsed_2au4 1
9 1 . . . . . 3.65 3.64 3.66 parsed_2au4 1
10 1 . . . . . 5.42 5.41 5.43 parsed_2au4 1
11 1 . . . . . 2.95 2.94 2.96 parsed_2au4 1
12 1 . . . . . 2.91 2.90 2.92 parsed_2au4 1
13 1 . . . . . 2.86 2.85 2.87 parsed_2au4 1
14 1 . . . . . 3.65 3.64 3.66 parsed_2au4 1
15 1 . . . . . 5.42 5.41 5.43 parsed_2au4 1
16 1 . . . . . 2.95 2.94 2.96 parsed_2au4 1
17 1 . . . . . 2.82 2.81 2.83 parsed_2au4 1
18 1 . . . . . 4.05 4.04 4.06 parsed_2au4 1
19 1 . . . . . 4.79 4.78 4.80 parsed_2au4 1
20 1 . . . . . 2.91 2.90 2.92 parsed_2au4 1
21 1 . . . . . 2.95 2.94 2.96 parsed_2au4 1
22 1 . . . . . 2.86 2.85 2.87 parsed_2au4 1
23 1 . . . . . 3.65 3.64 3.66 parsed_2au4 1
24 1 . . . . . 5.42 5.41 5.43 parsed_2au4 1
25 1 . . . . . 2.95 2.94 2.96 parsed_2au4 1
26 1 . . . . . 2.91 2.90 2.92 parsed_2au4 1
27 1 . . . . . 2.86 2.85 2.87 parsed_2au4 1
28 1 . . . . . 3.65 3.64 3.66 parsed_2au4 1
29 1 . . . . . 5.42 5.41 5.43 parsed_2au4 1
30 1 . . . . . 2.95 2.94 2.96 parsed_2au4 1
31 1 . . . . . 2.91 2.90 2.92 parsed_2au4 1
32 1 . . . . . 2.86 2.85 2.87 parsed_2au4 1
33 1 . . . . . 3.65 3.64 3.66 parsed_2au4 1
34 1 . . . . . 5.42 5.41 5.43 parsed_2au4 1
35 1 . . . . . 2.95 2.94 2.96 parsed_2au4 1
36 1 . . . . . 2.91 2.90 2.92 parsed_2au4 1
37 1 . . . . . 2.86 2.85 2.87 parsed_2au4 1
38 1 . . . . . 3.65 3.64 3.66 parsed_2au4 1
39 1 . . . . . 5.42 5.41 5.43 parsed_2au4 1
40 1 . . . . . 5.2 4.9 5.5 parsed_2au4 1
41 1 . . . . . 3.7 3.4 4.0 parsed_2au4 1
42 1 . . . . . 5.0 4.7 5.3 parsed_2au4 1
43 1 . . . . . 5.2 4.9 5.5 parsed_2au4 1
44 1 . . . . . 3.2 2.9 3.5 parsed_2au4 1
45 1 . . . . . 4.3 4.0 4.6 parsed_2au4 1
46 1 . . . . . 4.5 4.2 4.8 parsed_2au4 1
47 1 . . . . . 3.4 3.1 3.7 parsed_2au4 1
48 1 . . . . . 6.2 5.6 6.8 parsed_2au4 1
49 1 . . . . . 3.5 3.2 3.8 parsed_2au4 1
50 1 . . . . . 3.6 3.3 3.9 parsed_2au4 1
51 1 . . . . . 4.0 3.7 4.3 parsed_2au4 1
52 1 . . . . . 3.8 3.5 4.1 parsed_2au4 1
53 1 . . . . . 5.2 4.9 5.5 parsed_2au4 1
54 1 . . . . . 4.3 4.0 4.6 parsed_2au4 1
55 1 . . . . . 4.0 3.7 4.3 parsed_2au4 1
56 1 . . . . . 2.9 2.6 3.2 parsed_2au4 1
57 1 . . . . . 3.9 3.6 4.2 parsed_2au4 1
58 1 . . . . . 4.9 4.6 5.2 parsed_2au4 1
59 1 . . . . . 4.6 4.3 4.9 parsed_2au4 1
60 1 . . . . . 3.3 3.0 3.6 parsed_2au4 1
61 1 . . . . . 5.5 5.2 5.8 parsed_2au4 1
62 1 . . . . . 4.1 3.8 4.4 parsed_2au4 1
63 1 . . . . . 2.4 2.1 2.7 parsed_2au4 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
;
!August 2005 Class I GTP aptamer hbond base-pair restraints
gua 1- cyt 41
;
3 1 5 15 parsed_2au4 1
2 "gua2 - cyt 40" 12 1 12 15 parsed_2au4 1
3 "Gua 3 - Cyt 39" 19 1 19 18 parsed_2au4 1
4 "Ade 4 - Uri 38" 26 1 26 18 parsed_2au4 1
5 "Cyt 5 - Gua 37" 32 1 32 17 parsed_2au4 1
6 "Gua 6 - Cyt 36" 39 1 39 17 parsed_2au4 1
7
;
cyt 18 - gua 27
to allow for possibility that it is splayed like g17-u28
did not apply hbond restraints here
Gua 19 - Cyt 26
;
46 1 50 18 parsed_2au4 1
8 "cyt 20 - gua 25" 57 1 57 18 parsed_2au4 1
9
;
!August 2005 tetraloop distance restraints for the Class I GTP aptamer
!obtained from 1F7Y Ennifar et al. 2002 crystal structure
resid 21
;
67 1 70 10 parsed_2au4 1
10 "resid 22" 76 1 76 10 parsed_2au4 1
11 "resid 23" 80 1 80 10 parsed_2au4 1
12 "resid 24" 92 1 92 10 parsed_2au4 1
stop_
save_
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