NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
522879 |
2l5v   |
17286 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 56 |
data_2l5v_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l5v
_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_2l5v 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l5v
_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 2l5v "Master copy" parsed_2l5v
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l5v
_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 2l5v.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l5v 1
1 2l5v.mr . . XPLOR/CNS 2 distance NOE simple 1886 parsed_2l5v 1
1 2l5v.mr . . XPLOR/CNS 3 distance NOE ambi 592 parsed_2l5v 1
1 2l5v.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 56 parsed_2l5v 1
1 2l5v.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2l5v 1
1 2l5v.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l5v 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2l5v
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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_2l5v 1
2 1 . . . parsed_2l5v 1
3 1 . . . parsed_2l5v 1
4 1 . . . parsed_2l5v 1
5 1 . . . parsed_2l5v 1
6 1 . . . parsed_2l5v 1
7 1 . . . parsed_2l5v 1
8 1 . . . parsed_2l5v 1
9 1 . . . parsed_2l5v 1
10 1 . . . parsed_2l5v 1
11 1 . . . parsed_2l5v 1
12 1 . . . parsed_2l5v 1
13 1 . . . parsed_2l5v 1
14 1 . . . parsed_2l5v 1
15 1 . . . parsed_2l5v 1
16 1 . . . parsed_2l5v 1
17 1 . . . parsed_2l5v 1
18 1 . . . parsed_2l5v 1
19 1 . . . parsed_2l5v 1
20 1 . . . parsed_2l5v 1
21 1 . . . parsed_2l5v 1
22 1 . . . parsed_2l5v 1
23 1 . . . parsed_2l5v 1
24 1 . . . parsed_2l5v 1
25 1 . . . parsed_2l5v 1
26 1 . . . parsed_2l5v 1
27 1 . . . parsed_2l5v 1
28 1 . . . parsed_2l5v 1
29 1 . . . parsed_2l5v 1
30 1 . . . parsed_2l5v 1
31 1 . . . parsed_2l5v 1
32 1 . . . parsed_2l5v 1
33 1 . . . parsed_2l5v 1
34 1 . . . parsed_2l5v 1
35 1 . . . parsed_2l5v 1
36 1 . . . parsed_2l5v 1
37 1 . . . parsed_2l5v 1
38 1 . . . parsed_2l5v 1
39 1 . . . parsed_2l5v 1
40 1 . . . parsed_2l5v 1
41 1 . . . parsed_2l5v 1
42 1 . . . parsed_2l5v 1
43 1 . . . parsed_2l5v 1
44 1 . . . parsed_2l5v 1
45 1 . . . parsed_2l5v 1
46 1 . . . parsed_2l5v 1
47 1 . . . parsed_2l5v 1
48 1 . . . parsed_2l5v 1
49 1 . . . parsed_2l5v 1
50 1 . . . parsed_2l5v 1
51 1 . . . parsed_2l5v 1
52 1 . . . parsed_2l5v 1
53 1 . . . parsed_2l5v 1
54 1 . . . parsed_2l5v 1
55 1 . . . parsed_2l5v 1
56 1 . . . parsed_2l5v 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 . . . . . . . . . 303 . o parsed_2l5v 1
1 1 2 . . . . . . . . . 307 . hn parsed_2l5v 1
2 1 1 . . . . . . . . . 303 . o parsed_2l5v 1
2 1 2 . . . . . . . . . 307 . n parsed_2l5v 1
3 1 1 . . . . . . . . . 304 . o parsed_2l5v 1
3 1 2 . . . . . . . . . 308 . hn parsed_2l5v 1
4 1 1 . . . . . . . . . 304 . o parsed_2l5v 1
4 1 2 . . . . . . . . . 308 . n parsed_2l5v 1
5 1 1 . . . . . . . . . 324 . o parsed_2l5v 1
5 1 2 . . . . . . . . . 328 . hn parsed_2l5v 1
6 1 1 . . . . . . . . . 324 . o parsed_2l5v 1
6 1 2 . . . . . . . . . 328 . n parsed_2l5v 1
7 1 1 . . . . . . . . . 335 . o parsed_2l5v 1
7 1 2 . . . . . . . . . 339 . hn parsed_2l5v 1
8 1 1 . . . . . . . . . 335 . o parsed_2l5v 1
8 1 2 . . . . . . . . . 339 . n parsed_2l5v 1
9 1 1 . . . . . . . . . 336 . o parsed_2l5v 1
9 1 2 . . . . . . . . . 340 . hn parsed_2l5v 1
10 1 1 . . . . . . . . . 336 . o parsed_2l5v 1
10 1 2 . . . . . . . . . 340 . n parsed_2l5v 1
11 1 1 . . . . . . . . . 337 . o parsed_2l5v 1
11 1 2 . . . . . . . . . 341 . hn parsed_2l5v 1
12 1 1 . . . . . . . . . 337 . o parsed_2l5v 1
12 1 2 . . . . . . . . . 341 . n parsed_2l5v 1
13 1 1 . . . . . . . . . 338 . o parsed_2l5v 1
13 1 2 . . . . . . . . . 342 . hn parsed_2l5v 1
14 1 1 . . . . . . . . . 338 . o parsed_2l5v 1
14 1 2 . . . . . . . . . 342 . n parsed_2l5v 1
15 1 1 . . . . . . . . . 339 . o parsed_2l5v 1
15 1 2 . . . . . . . . . 343 . hn parsed_2l5v 1
16 1 1 . . . . . . . . . 339 . o parsed_2l5v 1
16 1 2 . . . . . . . . . 343 . n parsed_2l5v 1
17 1 1 . . . . . . . . . 340 . o parsed_2l5v 1
17 1 2 . . . . . . . . . 344 . hn parsed_2l5v 1
18 1 1 . . . . . . . . . 340 . o parsed_2l5v 1
18 1 2 . . . . . . . . . 344 . n parsed_2l5v 1
19 1 1 . . . . . . . . . 341 . o parsed_2l5v 1
19 1 2 . . . . . . . . . 345 . hn parsed_2l5v 1
20 1 1 . . . . . . . . . 341 . o parsed_2l5v 1
20 1 2 . . . . . . . . . 345 . n parsed_2l5v 1
21 1 1 . . . . . . . . . 342 . o parsed_2l5v 1
21 1 2 . . . . . . . . . 346 . hn parsed_2l5v 1
22 1 1 . . . . . . . . . 342 . o parsed_2l5v 1
22 1 2 . . . . . . . . . 346 . n parsed_2l5v 1
23 1 1 . . . . . . . . . 343 . o parsed_2l5v 1
23 1 2 . . . . . . . . . 347 . hn parsed_2l5v 1
24 1 1 . . . . . . . . . 343 . o parsed_2l5v 1
24 1 2 . . . . . . . . . 347 . n parsed_2l5v 1
25 1 1 . . . . . . . . . 344 . o parsed_2l5v 1
25 1 2 . . . . . . . . . 348 . hn parsed_2l5v 1
26 1 1 . . . . . . . . . 344 . o parsed_2l5v 1
26 1 2 . . . . . . . . . 348 . n parsed_2l5v 1
27 1 1 . . . . . . . . . 345 . o parsed_2l5v 1
27 1 2 . . . . . . . . . 349 . hn parsed_2l5v 1
28 1 1 . . . . . . . . . 345 . o parsed_2l5v 1
28 1 2 . . . . . . . . . 349 . n parsed_2l5v 1
29 1 1 . . . . . . . . . 346 . o parsed_2l5v 1
29 1 2 . . . . . . . . . 350 . hn parsed_2l5v 1
30 1 1 . . . . . . . . . 346 . o parsed_2l5v 1
30 1 2 . . . . . . . . . 350 . n parsed_2l5v 1
31 1 1 . . . . . . . . . 347 . o parsed_2l5v 1
31 1 2 . . . . . . . . . 351 . hn parsed_2l5v 1
32 1 1 . . . . . . . . . 347 . o parsed_2l5v 1
32 1 2 . . . . . . . . . 351 . n parsed_2l5v 1
33 1 1 . . . . . . . . . 363 . o parsed_2l5v 1
33 1 2 . . . . . . . . . 367 . hn parsed_2l5v 1
34 1 1 . . . . . . . . . 363 . o parsed_2l5v 1
34 1 2 . . . . . . . . . 367 . n parsed_2l5v 1
35 1 1 . . . . . . . . . 364 . o parsed_2l5v 1
35 1 2 . . . . . . . . . 368 . hn parsed_2l5v 1
36 1 1 . . . . . . . . . 364 . o parsed_2l5v 1
36 1 2 . . . . . . . . . 368 . n parsed_2l5v 1
37 1 1 . . . . . . . . . 365 . o parsed_2l5v 1
37 1 2 . . . . . . . . . 369 . hn parsed_2l5v 1
38 1 1 . . . . . . . . . 365 . o parsed_2l5v 1
38 1 2 . . . . . . . . . 369 . n parsed_2l5v 1
39 1 1 . . . . . . . . . 366 . o parsed_2l5v 1
39 1 2 . . . . . . . . . 370 . hn parsed_2l5v 1
40 1 1 . . . . . . . . . 366 . o parsed_2l5v 1
40 1 2 . . . . . . . . . 370 . n parsed_2l5v 1
41 1 1 . . . . . . . . . 367 . o parsed_2l5v 1
41 1 2 . . . . . . . . . 371 . hn parsed_2l5v 1
42 1 1 . . . . . . . . . 367 . o parsed_2l5v 1
42 1 2 . . . . . . . . . 371 . n parsed_2l5v 1
43 1 1 . . . . . . . . . 374 . o parsed_2l5v 1
43 1 2 . . . . . . . . . 378 . hn parsed_2l5v 1
44 1 1 . . . . . . . . . 374 . o parsed_2l5v 1
44 1 2 . . . . . . . . . 378 . n parsed_2l5v 1
45 1 1 . . . . . . . . . 375 . o parsed_2l5v 1
45 1 2 . . . . . . . . . 379 . hn parsed_2l5v 1
46 1 1 . . . . . . . . . 375 . o parsed_2l5v 1
46 1 2 . . . . . . . . . 379 . n parsed_2l5v 1
47 1 1 . . . . . . . . . 376 . o parsed_2l5v 1
47 1 2 . . . . . . . . . 380 . hn parsed_2l5v 1
48 1 1 . . . . . . . . . 376 . o parsed_2l5v 1
48 1 2 . . . . . . . . . 380 . n parsed_2l5v 1
49 1 1 . . . . . . . . . 377 . o parsed_2l5v 1
49 1 2 . . . . . . . . . 381 . hn parsed_2l5v 1
50 1 1 . . . . . . . . . 377 . o parsed_2l5v 1
50 1 2 . . . . . . . . . 381 . n parsed_2l5v 1
51 1 1 . . . . . . . . . 378 . o parsed_2l5v 1
51 1 2 . . . . . . . . . 382 . hn parsed_2l5v 1
52 1 1 . . . . . . . . . 378 . o parsed_2l5v 1
52 1 2 . . . . . . . . . 382 . n parsed_2l5v 1
53 1 1 . . . . . . . . . 379 . o parsed_2l5v 1
53 1 2 . . . . . . . . . 383 . hn parsed_2l5v 1
54 1 1 . . . . . . . . . 379 . o parsed_2l5v 1
54 1 2 . . . . . . . . . 383 . n parsed_2l5v 1
55 1 1 . . . . . . . . . 380 . o parsed_2l5v 1
55 1 2 . . . . . . . . . 384 . hn parsed_2l5v 1
56 1 1 . . . . . . . . . 380 . o parsed_2l5v 1
56 1 2 . . . . . . . . . 384 . n parsed_2l5v 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 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
2 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
3 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
4 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
5 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
6 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
7 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
8 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
9 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
10 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
11 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
12 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
13 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
14 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
15 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
16 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
17 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
18 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
19 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
20 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
21 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
22 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
23 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
24 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
25 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
26 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
27 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
28 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
29 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
30 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
31 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
32 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
33 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
34 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
35 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
36 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
37 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
38 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
39 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
40 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
41 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
42 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
43 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
44 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
45 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
46 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
47 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
48 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
49 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
50 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
51 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
52 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
53 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
54 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 1
55 1 . . . . . 2.0 1.3 2.5 parsed_2l5v 1
56 1 . . . . . 3.0 2.3 3.5 parsed_2l5v 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
;
This is an input file for CNS
created by zhou on Mon Oct 19 22:44:33 CST 2009.
theoretical H-bond (acceptor) restraint for N303
;
1 1 3 51 parsed_2l5v 1
2 "theoretical H-bond (acceptor) restraint for A304" 6 1 6 51 parsed_2l5v 1
3 "theoretical H-bond (acceptor) restraint for A324" 9 1 9 51 parsed_2l5v 1
4 "theoretical H-bond (acceptor) restraint for Q335" 12 1 12 51 parsed_2l5v 1
5 "theoretical H-bond (acceptor) restraint for F336" 15 1 15 51 parsed_2l5v 1
6 "theoretical H-bond (acceptor) restraint for Q337" 18 1 18 51 parsed_2l5v 1
7 "theoretical H-bond (acceptor) restraint for Q338" 21 1 21 51 parsed_2l5v 1
8 "theoretical H-bond (acceptor) restraint for A339" 24 1 24 51 parsed_2l5v 1
9 "theoretical H-bond (acceptor) restraint for L340" 27 1 27 51 parsed_2l5v 1
10 "theoretical H-bond (acceptor) restraint for G341" 30 1 30 51 parsed_2l5v 1
11 "theoretical H-bond (acceptor) restraint for M342" 33 1 33 51 parsed_2l5v 1
12 "theoretical H-bond (acceptor) restraint for F343" 36 1 36 51 parsed_2l5v 1
13 "theoretical H-bond (acceptor) restraint for S344" 39 1 39 51 parsed_2l5v 1
14 "theoretical H-bond (acceptor) restraint for A345" 42 1 42 51 parsed_2l5v 1
15 "theoretical H-bond (acceptor) restraint for A346" 45 1 45 51 parsed_2l5v 1
16 "theoretical H-bond (acceptor) restraint for L347" 48 1 48 51 parsed_2l5v 1
17 "theoretical H-bond (acceptor) restraint for A363" 51 1 51 51 parsed_2l5v 1
18 "theoretical H-bond (acceptor) restraint for E364" 54 1 54 51 parsed_2l5v 1
19 "theoretical H-bond (acceptor) restraint for A365" 57 1 57 51 parsed_2l5v 1
20 "theoretical H-bond (acceptor) restraint for V366" 60 1 60 51 parsed_2l5v 1
21 "theoretical H-bond (acceptor) restraint for E367" 63 1 63 51 parsed_2l5v 1
22 "theoretical H-bond (acceptor) restraint for V374" 67 1 67 51 parsed_2l5v 1
23 "theoretical H-bond (acceptor) restraint for E375" 70 1 70 51 parsed_2l5v 1
24 "theoretical H-bond (acceptor) restraint for A376" 73 1 73 51 parsed_2l5v 1
25 "theoretical H-bond (acceptor) restraint for F377" 76 1 76 51 parsed_2l5v 1
26 "theoretical H-bond (acceptor) restraint for A378" 79 1 79 51 parsed_2l5v 1
27 "theoretical H-bond (acceptor) restraint for K379" 83 1 83 51 parsed_2l5v 1
28 "theoretical H-bond (acceptor) restraint for A380" 86 1 86 51 parsed_2l5v 1
stop_
save_
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