Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
617360 | 5unk RC | 30239 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 48 |
data_5unk_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5unk
_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_5unk 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5unk
_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 5unk "Master copy" parsed_5unk
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5unk
_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 5unk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5unk 1
1 5unk.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 90 parsed_5unk 1
1 5unk.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 48 parsed_5unk 1
1 5unk.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_5unk 1
1 5unk.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5unk 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5unk
_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_5unk 1
2 1 . . . parsed_5unk 1
3 1 . . . parsed_5unk 1
4 1 . . . parsed_5unk 1
5 1 . . . parsed_5unk 1
6 1 . . . parsed_5unk 1
7 1 . . . parsed_5unk 1
8 1 . . . parsed_5unk 1
9 1 . . . parsed_5unk 1
10 1 . . . parsed_5unk 1
11 1 . . . parsed_5unk 1
12 1 . . . parsed_5unk 1
13 1 . . . parsed_5unk 1
14 1 . . . parsed_5unk 1
15 1 . . . parsed_5unk 1
16 1 . . . parsed_5unk 1
17 1 . . . parsed_5unk 1
18 1 . . . parsed_5unk 1
19 1 . . . parsed_5unk 1
20 1 . . . parsed_5unk 1
21 1 . . . parsed_5unk 1
22 1 . . . parsed_5unk 1
23 1 . . . parsed_5unk 1
24 1 . . . parsed_5unk 1
25 1 . . . parsed_5unk 1
26 1 . . . parsed_5unk 1
27 1 . . . parsed_5unk 1
28 1 . . . parsed_5unk 1
29 1 . . . parsed_5unk 1
30 1 . . . parsed_5unk 1
31 1 . . . parsed_5unk 1
32 1 . . . parsed_5unk 1
33 1 . . . parsed_5unk 1
34 1 . . . parsed_5unk 1
35 1 . . . parsed_5unk 1
36 1 . . . parsed_5unk 1
37 1 . . . parsed_5unk 1
38 1 . . . parsed_5unk 1
39 1 . . . parsed_5unk 1
40 1 . . . parsed_5unk 1
41 1 . . . parsed_5unk 1
42 1 . . . parsed_5unk 1
43 1 . . . parsed_5unk 1
44 1 . . . parsed_5unk 1
45 1 . . . parsed_5unk 1
46 1 . . . parsed_5unk 1
47 1 . . . parsed_5unk 1
48 1 . . . parsed_5unk 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 . O parsed_5unk 1
1 1 2 . . . . . . . . . 19 . HN parsed_5unk 1
2 1 1 . . . . . . . . . 15 . O parsed_5unk 1
2 1 2 . . . . . . . . . 19 . N parsed_5unk 1
3 1 1 . . . . . . . . . 14 . O parsed_5unk 1
3 1 2 . . . . . . . . . 18 . HN parsed_5unk 1
4 1 1 . . . . . . . . . 14 . O parsed_5unk 1
4 1 2 . . . . . . . . . 18 . N parsed_5unk 1
5 1 1 . . . . . . . . . 13 . O parsed_5unk 1
5 1 2 . . . . . . . . . 17 . HN parsed_5unk 1
6 1 1 . . . . . . . . . 13 . O parsed_5unk 1
6 1 2 . . . . . . . . . 17 . N parsed_5unk 1
7 1 1 . . . . . . . . . 12 . O parsed_5unk 1
7 1 2 . . . . . . . . . 16 . HN parsed_5unk 1
8 1 1 . . . . . . . . . 12 . O parsed_5unk 1
8 1 2 . . . . . . . . . 16 . N parsed_5unk 1
9 1 1 . . . . . . . . . 11 . O parsed_5unk 1
9 1 2 . . . . . . . . . 15 . HN parsed_5unk 1
10 1 1 . . . . . . . . . 11 . O parsed_5unk 1
10 1 2 . . . . . . . . . 15 . N parsed_5unk 1
11 1 1 . . . . . . . . . 10 . O parsed_5unk 1
11 1 2 . . . . . . . . . 14 . HN parsed_5unk 1
12 1 1 . . . . . . . . . 10 . O parsed_5unk 1
12 1 2 . . . . . . . . . 14 . N parsed_5unk 1
13 1 1 . . . . . . . . . 9 . O parsed_5unk 1
13 1 2 . . . . . . . . . 13 . HN parsed_5unk 1
14 1 1 . . . . . . . . . 9 . O parsed_5unk 1
14 1 2 . . . . . . . . . 13 . N parsed_5unk 1
15 1 1 . . . . . . . . . 8 . O parsed_5unk 1
15 1 2 . . . . . . . . . 12 . HN parsed_5unk 1
16 1 1 . . . . . . . . . 8 . O parsed_5unk 1
16 1 2 . . . . . . . . . 12 . N parsed_5unk 1
17 1 1 . . . . . . . . . 30 . O parsed_5unk 1
17 1 2 . . . . . . . . . 34 . HN parsed_5unk 1
18 1 1 . . . . . . . . . 30 . O parsed_5unk 1
18 1 2 . . . . . . . . . 34 . N parsed_5unk 1
19 1 1 . . . . . . . . . 29 . O parsed_5unk 1
19 1 2 . . . . . . . . . 33 . HN parsed_5unk 1
20 1 1 . . . . . . . . . 29 . O parsed_5unk 1
20 1 2 . . . . . . . . . 33 . N parsed_5unk 1
21 1 1 . . . . . . . . . 28 . O parsed_5unk 1
21 1 2 . . . . . . . . . 32 . HN parsed_5unk 1
22 1 1 . . . . . . . . . 28 . O parsed_5unk 1
22 1 2 . . . . . . . . . 32 . N parsed_5unk 1
23 1 1 . . . . . . . . . 27 . O parsed_5unk 1
23 1 2 . . . . . . . . . 31 . HN parsed_5unk 1
24 1 1 . . . . . . . . . 27 . O parsed_5unk 1
24 1 2 . . . . . . . . . 31 . N parsed_5unk 1
25 1 1 . . . . . . . . . 26 . O parsed_5unk 1
25 1 2 . . . . . . . . . 30 . HN parsed_5unk 1
26 1 1 . . . . . . . . . 26 . O parsed_5unk 1
26 1 2 . . . . . . . . . 30 . N parsed_5unk 1
27 1 1 . . . . . . . . . 25 . O parsed_5unk 1
27 1 2 . . . . . . . . . 29 . HN parsed_5unk 1
28 1 1 . . . . . . . . . 25 . O parsed_5unk 1
28 1 2 . . . . . . . . . 29 . N parsed_5unk 1
29 1 1 . . . . . . . . . 51 . O parsed_5unk 1
29 1 2 . . . . . . . . . 55 . HN parsed_5unk 1
30 1 1 . . . . . . . . . 51 . O parsed_5unk 1
30 1 2 . . . . . . . . . 55 . N parsed_5unk 1
31 1 1 . . . . . . . . . 50 . O parsed_5unk 1
31 1 2 . . . . . . . . . 54 . HN parsed_5unk 1
32 1 1 . . . . . . . . . 50 . O parsed_5unk 1
32 1 2 . . . . . . . . . 54 . N parsed_5unk 1
33 1 1 . . . . . . . . . 49 . O parsed_5unk 1
33 1 2 . . . . . . . . . 53 . HN parsed_5unk 1
34 1 1 . . . . . . . . . 49 . O parsed_5unk 1
34 1 2 . . . . . . . . . 53 . N parsed_5unk 1
35 1 1 . . . . . . . . . 48 . O parsed_5unk 1
35 1 2 . . . . . . . . . 52 . HN parsed_5unk 1
36 1 1 . . . . . . . . . 48 . O parsed_5unk 1
36 1 2 . . . . . . . . . 52 . N parsed_5unk 1
37 1 1 . . . . . . . . . 47 . O parsed_5unk 1
37 1 2 . . . . . . . . . 51 . HN parsed_5unk 1
38 1 1 . . . . . . . . . 47 . O parsed_5unk 1
38 1 2 . . . . . . . . . 51 . N parsed_5unk 1
39 1 1 . . . . . . . . . 46 . O parsed_5unk 1
39 1 2 . . . . . . . . . 50 . HN parsed_5unk 1
40 1 1 . . . . . . . . . 46 . O parsed_5unk 1
40 1 2 . . . . . . . . . 50 . N parsed_5unk 1
41 1 1 . . . . . . . . . 45 . O parsed_5unk 1
41 1 2 . . . . . . . . . 49 . HN parsed_5unk 1
42 1 1 . . . . . . . . . 45 . O parsed_5unk 1
42 1 2 . . . . . . . . . 49 . N parsed_5unk 1
43 1 1 . . . . . . . . . 43 . O parsed_5unk 1
43 1 2 . . . . . . . . . 47 . HN parsed_5unk 1
44 1 1 . . . . . . . . . 43 . O parsed_5unk 1
44 1 2 . . . . . . . . . 47 . N parsed_5unk 1
45 1 1 . . . . . . . . . 42 . O parsed_5unk 1
45 1 2 . . . . . . . . . 46 . HN parsed_5unk 1
46 1 1 . . . . . . . . . 42 . O parsed_5unk 1
46 1 2 . . . . . . . . . 46 . N parsed_5unk 1
47 1 1 . . . . . . . . . 41 . O parsed_5unk 1
47 1 2 . . . . . . . . . 45 . HN parsed_5unk 1
48 1 1 . . . . . . . . . 41 . O parsed_5unk 1
48 1 2 . . . . . . . . . 45 . N parsed_5unk 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 . . . . . 2.15 1.80 2.70 parsed_5unk 1
2 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
3 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
4 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
5 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
6 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
7 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
8 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
9 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
10 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
11 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
12 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
13 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
14 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
15 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
16 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
17 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
18 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
19 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
20 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
21 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
22 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
23 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
24 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
25 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
26 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
27 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
28 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
29 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
30 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
31 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
32 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
33 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
34 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
35 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
36 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
37 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
38 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
39 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
40 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
41 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
42 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
43 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
44 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
45 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
46 1 . . . . . 2.90 2.50 3.50 parsed_5unk 1
47 1 . . . . . 2.15 1.80 2.70 parsed_5unk 1
48 1 . . . . . 2.90 2.50 3.50 parsed_5unk 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 "NOE RED FILE" 2 1 2 20 parsed_5unk 1
2
;
SET ECHO=OFF MESSAGE=OFF END
hbonds
helix 1
;
4 1 8 10 parsed_5unk 1
3
;
helix 2
assign (resid 31 and name O ) (resid 35 and name HN ) 2.15 0.35 0.55
assign (resid 31 and name O ) (resid 35 and name N ) 2.90 0.40 0.60
;
28 1 30 75 parsed_5unk 1
4 "helix 3" 44 1 44 10 parsed_5unk 1
5
;
Other H-bonds
assign (resid 20 and name O ) (resid 23 and name HN ) 2.15 0.35 0.55
assign (resid 20 and name O ) (resid 23 and name N ) 2.90 0.40 0.60
;
66 1 69 75 parsed_5unk 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 2: red_noe.tbl" 1 1 1 32 parsed_5unk 1
stop_
save_