NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
53618 |
2ro5   |
11034 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 54 |
data_2ro5_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ro5
_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_2ro5 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ro5
_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 2ro5 "Master copy" parsed_2ro5
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ro5
_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 2ro5.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ro5 1
1 2ro5.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 76 parsed_2ro5 1
1 2ro5.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 54 parsed_2ro5 1
1 2ro5.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2ro5 1
1 2ro5.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_2ro5 1
1 2ro5.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ro5 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2ro5
_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_2ro5 1
2 1 . . . parsed_2ro5 1
3 1 . . . parsed_2ro5 1
4 1 . . . parsed_2ro5 1
5 1 . . . parsed_2ro5 1
6 1 . . . parsed_2ro5 1
7 1 . . . parsed_2ro5 1
8 1 . . . parsed_2ro5 1
9 1 . . . parsed_2ro5 1
10 1 . . . parsed_2ro5 1
11 1 . . . parsed_2ro5 1
12 1 . . . parsed_2ro5 1
13 1 . . . parsed_2ro5 1
14 1 . . . parsed_2ro5 1
15 1 . . . parsed_2ro5 1
16 1 . . . parsed_2ro5 1
17 1 . . . parsed_2ro5 1
18 1 . . . parsed_2ro5 1
19 1 . . . parsed_2ro5 1
20 1 . . . parsed_2ro5 1
21 1 . . . parsed_2ro5 1
22 1 . . . parsed_2ro5 1
23 1 . . . parsed_2ro5 1
24 1 . . . parsed_2ro5 1
25 1 . . . parsed_2ro5 1
26 1 . . . parsed_2ro5 1
27 1 . . . parsed_2ro5 1
28 1 . . . parsed_2ro5 1
29 1 . . . parsed_2ro5 1
30 1 . . . parsed_2ro5 1
31 1 . . . parsed_2ro5 1
32 1 . . . parsed_2ro5 1
33 1 . . . parsed_2ro5 1
34 1 . . . parsed_2ro5 1
35 1 . . . parsed_2ro5 1
36 1 . . . parsed_2ro5 1
37 1 . . . parsed_2ro5 1
38 1 . . . parsed_2ro5 1
39 1 . . . parsed_2ro5 1
40 1 . . . parsed_2ro5 1
41 1 . . . parsed_2ro5 1
42 1 . . . parsed_2ro5 1
43 1 . . . parsed_2ro5 1
44 1 . . . parsed_2ro5 1
45 1 . . . parsed_2ro5 1
46 1 . . . parsed_2ro5 1
47 1 . . . parsed_2ro5 1
48 1 . . . parsed_2ro5 1
49 1 . . . parsed_2ro5 1
50 1 . . . parsed_2ro5 1
51 1 . . . parsed_2ro5 1
52 1 . . . parsed_2ro5 1
53 1 . . . parsed_2ro5 1
54 1 . . . parsed_2ro5 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 . . . . . . . . A 16 . C parsed_2ro5 1
1 1 2 . . . . . . . . B 16 . N parsed_2ro5 1
2 1 1 . . . . . . . . A 16 . O parsed_2ro5 1
2 1 2 . . . . . . . . B 16 . HN parsed_2ro5 1
3 1 1 . . . . . . . . B 16 . C parsed_2ro5 1
3 1 2 . . . . . . . . A 16 . N parsed_2ro5 1
4 1 1 . . . . . . . . B 16 . O parsed_2ro5 1
4 1 2 . . . . . . . . A 16 . HN parsed_2ro5 1
5 1 1 . . . . . . . . A 11 . OD# parsed_2ro5 1
5 1 2 . . . . . . . . A 13 . HN parsed_2ro5 1
6 1 1 . . . . . . . . B 11 . OD# parsed_2ro5 1
6 1 2 . . . . . . . . B 13 . HN parsed_2ro5 1
7 1 1 . . . . . . . . A 29 . OD# parsed_2ro5 1
7 1 2 . . . . . . . . A 32 . HN parsed_2ro5 1
8 1 1 . . . . . . . . B 29 . OD# parsed_2ro5 1
8 1 2 . . . . . . . . B 32 . HN parsed_2ro5 1
9 1 1 . . . . . . . . A 30 . C parsed_2ro5 1
9 1 2 . . . . . . . . B 11 . N parsed_2ro5 1
10 1 1 . . . . . . . . B 30 . C parsed_2ro5 1
10 1 2 . . . . . . . . A 11 . N parsed_2ro5 1
11 1 1 . . . . . . . . A 38 . C parsed_2ro5 1
11 1 2 . . . . . . . . B 3 . N parsed_2ro5 1
12 1 1 . . . . . . . . A 38 . O parsed_2ro5 1
12 1 2 . . . . . . . . B 3 . HN parsed_2ro5 1
13 1 1 . . . . . . . . B 38 . C parsed_2ro5 1
13 1 2 . . . . . . . . A 3 . N parsed_2ro5 1
14 1 1 . . . . . . . . B 38 . O parsed_2ro5 1
14 1 2 . . . . . . . . A 3 . HN parsed_2ro5 1
15 1 1 . . . . . . . . A 37 . C parsed_2ro5 1
15 1 2 . . . . . . . . A 45 . N parsed_2ro5 1
16 1 1 . . . . . . . . A 37 . O parsed_2ro5 1
16 1 2 . . . . . . . . A 45 . HN parsed_2ro5 1
17 1 1 . . . . . . . . A 45 . C parsed_2ro5 1
17 1 2 . . . . . . . . A 37 . N parsed_2ro5 1
18 1 1 . . . . . . . . A 45 . O parsed_2ro5 1
18 1 2 . . . . . . . . A 37 . HN parsed_2ro5 1
19 1 1 . . . . . . . . B 37 . C parsed_2ro5 1
19 1 2 . . . . . . . . B 45 . N parsed_2ro5 1
20 1 1 . . . . . . . . B 37 . O parsed_2ro5 1
20 1 2 . . . . . . . . B 45 . HN parsed_2ro5 1
21 1 1 . . . . . . . . B 45 . C parsed_2ro5 1
21 1 2 . . . . . . . . B 37 . N parsed_2ro5 1
22 1 1 . . . . . . . . B 45 . O parsed_2ro5 1
22 1 2 . . . . . . . . B 37 . HN parsed_2ro5 1
23 1 1 . . . . . . . . A 35 . C parsed_2ro5 1
23 1 2 . . . . . . . . A 47 . N parsed_2ro5 1
24 1 1 . . . . . . . . A 35 . O parsed_2ro5 1
24 1 2 . . . . . . . . A 47 . HN parsed_2ro5 1
25 1 1 . . . . . . . . A 47 . C parsed_2ro5 1
25 1 2 . . . . . . . . A 35 . N parsed_2ro5 1
26 1 1 . . . . . . . . A 47 . O parsed_2ro5 1
26 1 2 . . . . . . . . A 35 . HN parsed_2ro5 1
27 1 1 . . . . . . . . B 35 . C parsed_2ro5 1
27 1 2 . . . . . . . . B 47 . N parsed_2ro5 1
28 1 1 . . . . . . . . B 35 . O parsed_2ro5 1
28 1 2 . . . . . . . . B 47 . HN parsed_2ro5 1
29 1 1 . . . . . . . . B 47 . C parsed_2ro5 1
29 1 2 . . . . . . . . B 35 . N parsed_2ro5 1
30 1 1 . . . . . . . . B 47 . O parsed_2ro5 1
30 1 2 . . . . . . . . B 35 . HN parsed_2ro5 1
31 1 1 . . . . . . . . A 44 . C parsed_2ro5 1
31 1 2 . . . . . . . . B 46 . N parsed_2ro5 1
32 1 1 . . . . . . . . A 44 . O parsed_2ro5 1
32 1 2 . . . . . . . . B 46 . HN parsed_2ro5 1
33 1 1 . . . . . . . . A 46 . C parsed_2ro5 1
33 1 2 . . . . . . . . B 44 . N parsed_2ro5 1
34 1 1 . . . . . . . . A 46 . O parsed_2ro5 1
34 1 2 . . . . . . . . B 44 . HN parsed_2ro5 1
35 1 1 . . . . . . . . B 44 . C parsed_2ro5 1
35 1 2 . . . . . . . . A 46 . N parsed_2ro5 1
36 1 1 . . . . . . . . B 44 . O parsed_2ro5 1
36 1 2 . . . . . . . . A 46 . HN parsed_2ro5 1
37 1 1 . . . . . . . . B 46 . C parsed_2ro5 1
37 1 2 . . . . . . . . A 44 . N parsed_2ro5 1
38 1 1 . . . . . . . . B 46 . O parsed_2ro5 1
38 1 2 . . . . . . . . A 44 . HN parsed_2ro5 1
39 1 1 . . . . . . . . A 20 . O parsed_2ro5 1
39 1 2 . . . . . . . . A 24 . N parsed_2ro5 1
40 1 1 . . . . . . . . A 20 . O parsed_2ro5 1
40 1 2 . . . . . . . . A 24 . HN parsed_2ro5 1
41 1 1 . . . . . . . . B 20 . O parsed_2ro5 1
41 1 2 . . . . . . . . B 24 . N parsed_2ro5 1
42 1 1 . . . . . . . . B 20 . O parsed_2ro5 1
42 1 2 . . . . . . . . B 24 . HN parsed_2ro5 1
43 1 1 . . . . . . . . A 21 . O parsed_2ro5 1
43 1 2 . . . . . . . . A 25 . N parsed_2ro5 1
44 1 1 . . . . . . . . A 21 . O parsed_2ro5 1
44 1 2 . . . . . . . . A 25 . HN parsed_2ro5 1
45 1 1 . . . . . . . . B 21 . O parsed_2ro5 1
45 1 2 . . . . . . . . B 25 . N parsed_2ro5 1
46 1 1 . . . . . . . . B 21 . O parsed_2ro5 1
46 1 2 . . . . . . . . B 25 . HN parsed_2ro5 1
47 1 1 . . . . . . . . A 22 . O parsed_2ro5 1
47 1 2 . . . . . . . . A 26 . N parsed_2ro5 1
48 1 1 . . . . . . . . A 22 . O parsed_2ro5 1
48 1 2 . . . . . . . . A 26 . HN parsed_2ro5 1
49 1 1 . . . . . . . . B 22 . O parsed_2ro5 1
49 1 2 . . . . . . . . B 26 . N parsed_2ro5 1
50 1 1 . . . . . . . . B 22 . O parsed_2ro5 1
50 1 2 . . . . . . . . B 26 . HN parsed_2ro5 1
51 1 1 . . . . . . . . A 23 . O parsed_2ro5 1
51 1 2 . . . . . . . . A 28 . N parsed_2ro5 1
52 1 1 . . . . . . . . A 23 . O parsed_2ro5 1
52 1 2 . . . . . . . . A 28 . HN parsed_2ro5 1
53 1 1 . . . . . . . . B 23 . O parsed_2ro5 1
53 1 2 . . . . . . . . B 28 . N parsed_2ro5 1
54 1 1 . . . . . . . . B 23 . O parsed_2ro5 1
54 1 2 . . . . . . . . B 28 . HN parsed_2ro5 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 . . . . . 2.85 1.70 4.00 parsed_2ro5 1
2 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
3 1 . . . . . 2.85 1.70 4.00 parsed_2ro5 1
4 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
5 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
6 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
7 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
8 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
9 1 . . . . . 2.95 1.40 4.50 parsed_2ro5 1
10 1 . . . . . 2.95 1.40 4.50 parsed_2ro5 1
11 1 . . . . . 2.85 1.70 4.00 parsed_2ro5 1
12 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
13 1 . . . . . 2.85 1.70 4.00 parsed_2ro5 1
14 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
15 1 . . . . . 2.85 1.70 4.00 parsed_2ro5 1
16 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
17 1 . . . . . 2.85 1.70 4.00 parsed_2ro5 1
18 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
19 1 . . . . . 2.85 1.70 4.00 parsed_2ro5 1
20 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
21 1 . . . . . 2.85 1.70 4.00 parsed_2ro5 1
22 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
23 1 . . . . . 2.85 1.70 4.00 parsed_2ro5 1
24 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
25 1 . . . . . 2.85 1.70 4.00 parsed_2ro5 1
26 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
27 1 . . . . . 2.85 1.70 4.00 parsed_2ro5 1
28 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
29 1 . . . . . 2.85 1.70 4.00 parsed_2ro5 1
30 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
31 1 . . . . . 2.85 1.70 4.00 parsed_2ro5 1
32 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
33 1 . . . . . 2.85 1.70 4.00 parsed_2ro5 1
34 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
35 1 . . . . . 2.85 1.70 4.00 parsed_2ro5 1
36 1 . . . . . 1.9 1.8 2.0 parsed_2ro5 1
37 1 . . . . . 2.85 1.70 4.00 parsed_2ro5 1
38 1 . . . . . 1.9 1.80 2.01 parsed_2ro5 1
39 1 . . . . . 3.0 2.3 3.5 parsed_2ro5 1
40 1 . . . . . 1.95 1.85 2.05 parsed_2ro5 1
41 1 . . . . . 3.0 2.3 3.5 parsed_2ro5 1
42 1 . . . . . 1.95 1.85 2.05 parsed_2ro5 1
43 1 . . . . . 3.0 2.3 3.5 parsed_2ro5 1
44 1 . . . . . 1.95 1.85 2.05 parsed_2ro5 1
45 1 . . . . . 3.0 2.3 3.5 parsed_2ro5 1
46 1 . . . . . 1.95 1.85 2.05 parsed_2ro5 1
47 1 . . . . . 3.0 2.3 3.5 parsed_2ro5 1
48 1 . . . . . 1.95 1.85 2.05 parsed_2ro5 1
49 1 . . . . . 3.0 2.3 3.5 parsed_2ro5 1
50 1 . . . . . 1.95 1.85 2.05 parsed_2ro5 1
51 1 . . . . . 3.0 2.3 3.5 parsed_2ro5 1
52 1 . . . . . 1.95 1.85 2.05 parsed_2ro5 1
53 1 . . . . . 3.0 2.3 3.5 parsed_2ro5 1
54 1 . . . . . 1.95 1.85 2.05 parsed_2ro5 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-bonds
b-sheet 2 and 2' hydrogen bond constraints
;
1 1 2 44 parsed_2ro5 1
2 "intra loop 1 to loop1" 8 1 8 24 parsed_2ro5 1
3 "intra loop 3 to loop3" 12 1 12 24 parsed_2ro5 1
4 "inter loop 1 to loop 3" 16 1 16 25 parsed_2ro5 1
5 "b-strand 1 to 3'" 21 1 21 19 parsed_2ro5 1
6 "b-sheet 3, 4, 3' and 4' hydrogen bond constraints" 27 1 27 51 parsed_2ro5 1
7 "b-sheet 4' and 4 hydrogen bond constraints" 46 1 46 44 parsed_2ro5 1
8 "a-helix 1 and 1' hydrogen bond constraints" 57 1 57 44 parsed_2ro5 1
stop_
save_
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