Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
29129 | 1aju RC | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 60 |
data_1aju_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1aju
_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_1aju 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1aju
_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 1aju "Master copy" parsed_1aju
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1aju
_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 1aju.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1aju 1
1 1aju.mr . . XPLOR/CNS 2 distance NOE ambi 662 parsed_1aju 1
1 1aju.mr . . XPLOR/CNS 3 distance NOE ambi 19 parsed_1aju 1
1 1aju.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1aju 1
1 1aju.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 60 parsed_1aju 1
1 1aju.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1aju 1
1 1aju.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1aju 1
1 1aju.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1aju 1
1 1aju.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1aju 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1aju
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_1aju 1
2 1 . . . parsed_1aju 1
3 1 . . . parsed_1aju 1
4 1 . . . parsed_1aju 1
5 1 . . . parsed_1aju 1
6 1 . . . parsed_1aju 1
7 1 . . . parsed_1aju 1
8 1 . . . parsed_1aju 1
9 1 . . . parsed_1aju 1
10 1 . . . parsed_1aju 1
11 1 . . . parsed_1aju 1
12 1 . . . parsed_1aju 1
13 1 . . . parsed_1aju 1
14 1 . . . parsed_1aju 1
15 1 . . . parsed_1aju 1
16 1 . . . parsed_1aju 1
17 1 . . . parsed_1aju 1
18 1 . . . parsed_1aju 1
19 1 . . . parsed_1aju 1
20 1 . . . parsed_1aju 1
21 1 . . . parsed_1aju 1
22 1 . . . parsed_1aju 1
23 1 . . . parsed_1aju 1
24 1 . . . parsed_1aju 1
25 1 . . . parsed_1aju 1
26 1 . . . parsed_1aju 1
27 1 . . . parsed_1aju 1
28 1 . . . parsed_1aju 1
29 1 . . . parsed_1aju 1
30 1 . . . parsed_1aju 1
31 1 . . . parsed_1aju 1
32 1 . . . parsed_1aju 1
33 1 . . . parsed_1aju 1
34 1 . . . parsed_1aju 1
35 1 . . . parsed_1aju 1
36 1 . . . parsed_1aju 1
37 1 . . . parsed_1aju 1
38 1 . . . parsed_1aju 1
39 1 . . . parsed_1aju 1
40 1 . . . parsed_1aju 1
41 1 . . . parsed_1aju 1
42 1 . . . parsed_1aju 1
43 1 . . . parsed_1aju 1
44 1 . . . parsed_1aju 1
45 1 . . . parsed_1aju 1
46 1 . . . parsed_1aju 1
47 1 . . . parsed_1aju 1
48 1 . . . parsed_1aju 1
49 1 . . . parsed_1aju 1
50 1 . . . parsed_1aju 1
51 1 . . . parsed_1aju 1
52 1 . . . parsed_1aju 1
53 1 . . . parsed_1aju 1
54 1 . . . parsed_1aju 1
55 1 . . . parsed_1aju 1
56 1 . . . parsed_1aju 1
57 1 . . . parsed_1aju 1
58 1 . . . parsed_1aju 1
59 1 . . . parsed_1aju 1
60 1 . . . parsed_1aju 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 . . . . . . . . . 16 . O6 parsed_1aju 1
1 1 2 . . . . . . . . . 46 . H42 parsed_1aju 1
2 1 1 . . . . . . . . . 16 . O6 parsed_1aju 1
2 1 2 . . . . . . . . . 46 . N4 parsed_1aju 1
3 1 1 . . . . . . . . . 16 . H1 parsed_1aju 1
3 1 2 . . . . . . . . . 46 . N3 parsed_1aju 1
4 1 1 . . . . . . . . . 16 . N1 parsed_1aju 1
4 1 2 . . . . . . . . . 46 . N3 parsed_1aju 1
5 1 1 . . . . . . . . . 16 . H22 parsed_1aju 1
5 1 2 . . . . . . . . . 46 . O2 parsed_1aju 1
6 1 1 . . . . . . . . . 16 . N2 parsed_1aju 1
6 1 2 . . . . . . . . . 46 . O2 parsed_1aju 1
7 1 1 . . . . . . . . . 17 . O6 parsed_1aju 1
7 1 2 . . . . . . . . . 45 . H42 parsed_1aju 1
8 1 1 . . . . . . . . . 17 . O6 parsed_1aju 1
8 1 2 . . . . . . . . . 45 . N4 parsed_1aju 1
9 1 1 . . . . . . . . . 17 . H1 parsed_1aju 1
9 1 2 . . . . . . . . . 45 . N3 parsed_1aju 1
10 1 1 . . . . . . . . . 17 . N1 parsed_1aju 1
10 1 2 . . . . . . . . . 45 . N3 parsed_1aju 1
11 1 1 . . . . . . . . . 17 . H22 parsed_1aju 1
11 1 2 . . . . . . . . . 45 . O2 parsed_1aju 1
12 1 1 . . . . . . . . . 17 . N2 parsed_1aju 1
12 1 2 . . . . . . . . . 45 . O2 parsed_1aju 1
13 1 1 . . . . . . . . . 18 . H42 parsed_1aju 1
13 1 2 . . . . . . . . . 44 . O6 parsed_1aju 1
14 1 1 . . . . . . . . . 18 . N4 parsed_1aju 1
14 1 2 . . . . . . . . . 44 . O6 parsed_1aju 1
15 1 1 . . . . . . . . . 18 . N3 parsed_1aju 1
15 1 2 . . . . . . . . . 44 . H1 parsed_1aju 1
16 1 1 . . . . . . . . . 18 . N3 parsed_1aju 1
16 1 2 . . . . . . . . . 44 . N1 parsed_1aju 1
17 1 1 . . . . . . . . . 18 . O2 parsed_1aju 1
17 1 2 . . . . . . . . . 44 . H22 parsed_1aju 1
18 1 1 . . . . . . . . . 18 . O2 parsed_1aju 1
18 1 2 . . . . . . . . . 44 . N2 parsed_1aju 1
19 1 1 . . . . . . . . . 19 . H42 parsed_1aju 1
19 1 2 . . . . . . . . . 43 . O6 parsed_1aju 1
20 1 1 . . . . . . . . . 19 . N4 parsed_1aju 1
20 1 2 . . . . . . . . . 43 . O6 parsed_1aju 1
21 1 1 . . . . . . . . . 19 . N3 parsed_1aju 1
21 1 2 . . . . . . . . . 43 . H1 parsed_1aju 1
22 1 1 . . . . . . . . . 19 . N3 parsed_1aju 1
22 1 2 . . . . . . . . . 43 . N1 parsed_1aju 1
23 1 1 . . . . . . . . . 19 . O2 parsed_1aju 1
23 1 2 . . . . . . . . . 43 . H22 parsed_1aju 1
24 1 1 . . . . . . . . . 19 . O2 parsed_1aju 1
24 1 2 . . . . . . . . . 43 . N2 parsed_1aju 1
25 1 1 . . . . . . . . . 20 . N1 parsed_1aju 1
25 1 2 . . . . . . . . . 42 . H3 parsed_1aju 1
26 1 1 . . . . . . . . . 20 . N1 parsed_1aju 1
26 1 2 . . . . . . . . . 42 . N3 parsed_1aju 1
27 1 1 . . . . . . . . . 20 . H62 parsed_1aju 1
27 1 2 . . . . . . . . . 42 . O4 parsed_1aju 1
28 1 1 . . . . . . . . . 20 . N6 parsed_1aju 1
28 1 2 . . . . . . . . . 42 . O4 parsed_1aju 1
29 1 1 . . . . . . . . . 21 . O6 parsed_1aju 1
29 1 2 . . . . . . . . . 41 . H42 parsed_1aju 1
30 1 1 . . . . . . . . . 21 . O6 parsed_1aju 1
30 1 2 . . . . . . . . . 41 . N4 parsed_1aju 1
31 1 1 . . . . . . . . . 21 . H1 parsed_1aju 1
31 1 2 . . . . . . . . . 41 . N3 parsed_1aju 1
32 1 1 . . . . . . . . . 21 . N1 parsed_1aju 1
32 1 2 . . . . . . . . . 41 . N3 parsed_1aju 1
33 1 1 . . . . . . . . . 21 . H22 parsed_1aju 1
33 1 2 . . . . . . . . . 41 . O2 parsed_1aju 1
34 1 1 . . . . . . . . . 21 . N2 parsed_1aju 1
34 1 2 . . . . . . . . . 41 . O2 parsed_1aju 1
35 1 1 . . . . . . . . . 22 . N1 parsed_1aju 1
35 1 2 . . . . . . . . . 40 . H3 parsed_1aju 1
36 1 1 . . . . . . . . . 22 . N1 parsed_1aju 1
36 1 2 . . . . . . . . . 40 . N3 parsed_1aju 1
37 1 1 . . . . . . . . . 22 . H62 parsed_1aju 1
37 1 2 . . . . . . . . . 40 . O4 parsed_1aju 1
38 1 1 . . . . . . . . . 22 . N6 parsed_1aju 1
38 1 2 . . . . . . . . . 40 . O4 parsed_1aju 1
39 1 1 . . . . . . . . . 26 . O6 parsed_1aju 1
39 1 2 . . . . . . . . . 39 . H42 parsed_1aju 1
40 1 1 . . . . . . . . . 26 . O6 parsed_1aju 1
40 1 2 . . . . . . . . . 39 . N4 parsed_1aju 1
41 1 1 . . . . . . . . . 26 . H1 parsed_1aju 1
41 1 2 . . . . . . . . . 39 . N3 parsed_1aju 1
42 1 1 . . . . . . . . . 26 . N1 parsed_1aju 1
42 1 2 . . . . . . . . . 39 . N3 parsed_1aju 1
43 1 1 . . . . . . . . . 26 . H22 parsed_1aju 1
43 1 2 . . . . . . . . . 39 . O2 parsed_1aju 1
44 1 1 . . . . . . . . . 26 . N2 parsed_1aju 1
44 1 2 . . . . . . . . . 39 . O2 parsed_1aju 1
45 1 1 . . . . . . . . . 27 . N1 parsed_1aju 1
45 1 2 . . . . . . . . . 38 . H3 parsed_1aju 1
46 1 1 . . . . . . . . . 27 . N1 parsed_1aju 1
46 1 2 . . . . . . . . . 38 . N3 parsed_1aju 1
47 1 1 . . . . . . . . . 27 . H62 parsed_1aju 1
47 1 2 . . . . . . . . . 38 . O4 parsed_1aju 1
48 1 1 . . . . . . . . . 27 . N6 parsed_1aju 1
48 1 2 . . . . . . . . . 38 . O4 parsed_1aju 1
49 1 1 . . . . . . . . . 28 . O6 parsed_1aju 1
49 1 2 . . . . . . . . . 37 . H42 parsed_1aju 1
50 1 1 . . . . . . . . . 28 . O6 parsed_1aju 1
50 1 2 . . . . . . . . . 37 . N4 parsed_1aju 1
51 1 1 . . . . . . . . . 28 . H1 parsed_1aju 1
51 1 2 . . . . . . . . . 37 . N3 parsed_1aju 1
52 1 1 . . . . . . . . . 28 . N1 parsed_1aju 1
52 1 2 . . . . . . . . . 37 . N3 parsed_1aju 1
53 1 1 . . . . . . . . . 28 . H22 parsed_1aju 1
53 1 2 . . . . . . . . . 37 . O2 parsed_1aju 1
54 1 1 . . . . . . . . . 28 . N2 parsed_1aju 1
54 1 2 . . . . . . . . . 37 . O2 parsed_1aju 1
55 1 1 . . . . . . . . . 29 . H42 parsed_1aju 1
55 1 2 . . . . . . . . . 36 . O6 parsed_1aju 1
56 1 1 . . . . . . . . . 29 . N4 parsed_1aju 1
56 1 2 . . . . . . . . . 36 . O6 parsed_1aju 1
57 1 1 . . . . . . . . . 29 . N3 parsed_1aju 1
57 1 2 . . . . . . . . . 36 . H1 parsed_1aju 1
58 1 1 . . . . . . . . . 29 . N3 parsed_1aju 1
58 1 2 . . . . . . . . . 36 . N1 parsed_1aju 1
59 1 1 . . . . . . . . . 29 . O2 parsed_1aju 1
59 1 2 . . . . . . . . . 36 . H22 parsed_1aju 1
60 1 1 . . . . . . . . . 29 . O2 parsed_1aju 1
60 1 2 . . . . . . . . . 36 . N2 parsed_1aju 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 . . . . . 1.91 1.71 2.11 parsed_1aju 1
2 1 . . . . . 2.91 2.71 3.11 parsed_1aju 1
3 1 . . . . . 1.95 1.75 2.15 parsed_1aju 1
4 1 . . . . . 2.95 2.75 3.15 parsed_1aju 1
5 1 . . . . . 1.86 1.66 2.06 parsed_1aju 1
6 1 . . . . . 2.86 2.66 3.06 parsed_1aju 1
7 1 . . . . . 1.91 1.71 2.11 parsed_1aju 1
8 1 . . . . . 2.91 2.71 3.11 parsed_1aju 1
9 1 . . . . . 1.95 1.75 2.15 parsed_1aju 1
10 1 . . . . . 2.95 2.75 3.15 parsed_1aju 1
11 1 . . . . . 1.86 1.66 2.06 parsed_1aju 1
12 1 . . . . . 2.86 2.66 3.06 parsed_1aju 1
13 1 . . . . . 1.91 1.71 2.11 parsed_1aju 1
14 1 . . . . . 2.91 2.71 3.11 parsed_1aju 1
15 1 . . . . . 1.95 1.75 2.15 parsed_1aju 1
16 1 . . . . . 2.95 2.75 3.15 parsed_1aju 1
17 1 . . . . . 1.86 1.66 2.06 parsed_1aju 1
18 1 . . . . . 2.86 2.66 3.06 parsed_1aju 1
19 1 . . . . . 1.91 1.71 2.11 parsed_1aju 1
20 1 . . . . . 2.91 2.71 3.11 parsed_1aju 1
21 1 . . . . . 1.95 1.75 2.15 parsed_1aju 1
22 1 . . . . . 2.95 2.75 3.15 parsed_1aju 1
23 1 . . . . . 1.86 1.66 2.06 parsed_1aju 1
24 1 . . . . . 2.86 2.66 3.06 parsed_1aju 1
25 1 . . . . . 1.70 1.50 1.90 parsed_1aju 1
26 1 . . . . . 2.70 2.50 2.90 parsed_1aju 1
27 1 . . . . . 1.95 1.75 2.15 parsed_1aju 1
28 1 . . . . . 2.95 2.75 3.15 parsed_1aju 1
29 1 . . . . . 1.91 1.71 2.11 parsed_1aju 1
30 1 . . . . . 2.91 2.71 3.11 parsed_1aju 1
31 1 . . . . . 1.95 1.75 2.15 parsed_1aju 1
32 1 . . . . . 2.95 2.75 3.15 parsed_1aju 1
33 1 . . . . . 1.86 1.66 2.06 parsed_1aju 1
34 1 . . . . . 2.86 2.66 3.06 parsed_1aju 1
35 1 . . . . . 1.70 1.50 1.90 parsed_1aju 1
36 1 . . . . . 2.70 2.50 2.90 parsed_1aju 1
37 1 . . . . . 1.95 1.75 2.15 parsed_1aju 1
38 1 . . . . . 2.95 2.75 3.15 parsed_1aju 1
39 1 . . . . . 1.91 1.71 2.11 parsed_1aju 1
40 1 . . . . . 2.91 2.71 3.11 parsed_1aju 1
41 1 . . . . . 1.95 1.75 2.15 parsed_1aju 1
42 1 . . . . . 2.95 2.75 3.15 parsed_1aju 1
43 1 . . . . . 1.86 1.66 2.06 parsed_1aju 1
44 1 . . . . . 2.86 2.66 3.06 parsed_1aju 1
45 1 . . . . . 1.70 1.50 1.90 parsed_1aju 1
46 1 . . . . . 2.70 2.50 2.90 parsed_1aju 1
47 1 . . . . . 1.95 1.75 2.15 parsed_1aju 1
48 1 . . . . . 2.95 2.75 3.15 parsed_1aju 1
49 1 . . . . . 1.91 1.71 2.11 parsed_1aju 1
50 1 . . . . . 2.91 2.71 3.11 parsed_1aju 1
51 1 . . . . . 1.95 1.75 2.15 parsed_1aju 1
52 1 . . . . . 2.95 2.75 3.15 parsed_1aju 1
53 1 . . . . . 1.86 1.66 2.06 parsed_1aju 1
54 1 . . . . . 2.86 2.66 3.06 parsed_1aju 1
55 1 . . . . . 1.91 1.71 2.11 parsed_1aju 1
56 1 . . . . . 2.91 2.71 3.11 parsed_1aju 1
57 1 . . . . . 1.95 1.75 2.15 parsed_1aju 1
58 1 . . . . . 2.95 2.75 3.15 parsed_1aju 1
59 1 . . . . . 1.86 1.66 2.06 parsed_1aju 1
60 1 . . . . . 2.86 2.66 3.06 parsed_1aju 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-bonding distances restraints" 1 1 1 33 parsed_1aju 1
2
;
echo = off
message = off
;
2 1 3 21 parsed_1aju 1
stop_
save_