NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
39441 |
1t4l   |
cing | 2-parsed | STAR | distance | NOE | ambi | 36 |
data_1t4l_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1t4l
_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_1t4l 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1t4l
_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 1t4l "Master copy" parsed_1t4l
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1t4l
_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 1t4l.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1t4l 1
1 1t4l.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 227 parsed_1t4l 1
1 1t4l.mr . . XPLOR/CNS 3 distance NOE simple 744 parsed_1t4l 1
1 1t4l.mr . . XPLOR/CNS 4 distance NOE simple 1580 parsed_1t4l 1
1 1t4l.mr . . XPLOR/CNS 5 distance NOE ambi 36 parsed_1t4l 1
1 1t4l.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1t4l 1
1 1t4l.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1t4l 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1t4l
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_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_1t4l 1
2 1 . . . parsed_1t4l 1
3 1 . . . parsed_1t4l 1
4 1 . . . parsed_1t4l 1
5 1 . . . parsed_1t4l 1
6 1 . . . parsed_1t4l 1
7 1 . . . parsed_1t4l 1
8 1 . . . parsed_1t4l 1
9 1 . . . parsed_1t4l 1
10 1 . . . parsed_1t4l 1
11 1 . . . parsed_1t4l 1
12 1 . . . parsed_1t4l 1
13 1 . . . parsed_1t4l 1
14 1 . . . parsed_1t4l 1
15 1 . . . parsed_1t4l 1
16 1 . . . parsed_1t4l 1
17 1 . . . parsed_1t4l 1
18 1 . . . parsed_1t4l 1
19 1 . . . parsed_1t4l 1
20 1 . . . parsed_1t4l 1
21 1 . . . parsed_1t4l 1
22 1 . . . parsed_1t4l 1
23 1 . . . parsed_1t4l 1
24 1 . . . parsed_1t4l 1
25 1 . . . parsed_1t4l 1
26 1 . . . parsed_1t4l 1
27 1 . . . parsed_1t4l 1
28 1 . . . parsed_1t4l 1
29 1 . . . parsed_1t4l 1
30 1 . . . parsed_1t4l 1
31 1 . . . parsed_1t4l 1
32 1 . . . parsed_1t4l 1
33 1 . . . parsed_1t4l 1
34 1 . . . parsed_1t4l 1
35 1 . . . parsed_1t4l 1
36 1 . . . parsed_1t4l 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 . . . . . . . . . 366 . HB* parsed_1t4l 1
1 1 2 . . . . . . . . . 368 . HE* parsed_1t4l 1
1 1 2 . . . . . . . . . 368 . HG* parsed_1t4l 1
2 1 1 . . . . . . . . . 366 . HD** parsed_1t4l 1
2 1 2 . . . . . . . . . 368 . HE* parsed_1t4l 1
2 1 2 . . . . . . . . . 368 . HG* parsed_1t4l 1
3 1 1 . . . . . . . . . 367 . HN parsed_1t4l 1
3 1 2 . . . . . . . . . 366 . HB* parsed_1t4l 1
3 1 2 . . . . . . . . . 366 . HG parsed_1t4l 1
4 1 1 . . . . . . . . . 368 . HA parsed_1t4l 1
4 1 2 . . . . . . . . . 368 . HE* parsed_1t4l 1
4 1 2 . . . . . . . . . 368 . HG* parsed_1t4l 1
5 1 1 . . . . . . . . . 368 . HN parsed_1t4l 1
5 1 2 . . . . . . . . . 368 . HE* parsed_1t4l 1
5 1 2 . . . . . . . . . 368 . HG* parsed_1t4l 1
6 1 1 . . . . . . . . . 369 . HN parsed_1t4l 1
6 1 2 . . . . . . . . . 368 . HE* parsed_1t4l 1
6 1 2 . . . . . . . . . 368 . HG* parsed_1t4l 1
7 1 1 . . . . . . . . . 370 . HB* parsed_1t4l 1
7 1 2 . . . . . . . . . 374 . HD1* parsed_1t4l 1
7 1 2 . . . . . . . . . 432 . HD1* parsed_1t4l 1
8 1 1 . . . . . . . . . 370 . HB* parsed_1t4l 1
8 1 2 . . . . . . . . . 374 . HD2* parsed_1t4l 1
8 1 2 . . . . . . . . . 432 . HD2* parsed_1t4l 1
9 1 1 . . . . . . . . . 371 . HN parsed_1t4l 1
9 1 2 . . . . . . . . . 371 . HB* parsed_1t4l 1
9 1 2 . . . . . . . . . 371 . HD* parsed_1t4l 1
10 1 1 . . . . . . . . . 372 . HN parsed_1t4l 1
10 1 2 . . . . . . . . . 371 . HB* parsed_1t4l 1
10 1 2 . . . . . . . . . 372 . HB* parsed_1t4l 1
11 1 1 . . . . . . . . . 373 . HN parsed_1t4l 1
11 1 2 . . . . . . . . . 370 . HA parsed_1t4l 1
11 1 2 . . . . . . . . . 373 . HA parsed_1t4l 1
12 1 1 . . . . . . . . . 374 . HN parsed_1t4l 1
12 1 2 . . . . . . . . . 373 . HA parsed_1t4l 1
12 1 2 . . . . . . . . . 374 . HA parsed_1t4l 1
13 1 1 . . . . . . . . . 387 . HA parsed_1t4l 1
13 1 2 . . . . . . . . . 388 . HG1* parsed_1t4l 1
13 1 2 . . . . . . . . . 402 . HG1* parsed_1t4l 1
14 1 1 . . . . . . . . . 389 . HB parsed_1t4l 1
14 1 2 . . . . . . . . . 388 . HG** parsed_1t4l 1
14 1 2 . . . . . . . . . 390 . HG1* parsed_1t4l 1
15 1 1 . . . . . . . . . 389 . HG2* parsed_1t4l 1
15 1 2 . . . . . . . . . 391 . HE* parsed_1t4l 1
15 1 2 . . . . . . . . . 392 . HE* parsed_1t4l 1
16 1 1 . . . . . . . . . 390 . HN parsed_1t4l 1
16 1 2 . . . . . . . . . 389 . HG2* parsed_1t4l 1
16 1 2 . . . . . . . . . 401 . HG2* parsed_1t4l 1
17 1 1 . . . . . . . . . 399 . HN parsed_1t4l 1
17 1 2 . . . . . . . . . 393 . HA parsed_1t4l 1
17 1 2 . . . . . . . . . 418 . HA parsed_1t4l 1
18 1 1 . . . . . . . . . 401 . HN parsed_1t4l 1
18 1 2 . . . . . . . . . 401 . HD1* parsed_1t4l 1
18 1 2 . . . . . . . . . 401 . HG2* parsed_1t4l 1
19 1 1 . . . . . . . . . 401 . HG2* parsed_1t4l 1
19 1 2 . . . . . . . . . 390 . HG2* parsed_1t4l 1
19 1 2 . . . . . . . . . 402 . HG2* parsed_1t4l 1
20 1 1 . . . . . . . . . 402 . HN parsed_1t4l 1
20 1 2 . . . . . . . . . 401 . HD1* parsed_1t4l 1
20 1 2 . . . . . . . . . 401 . HG2* parsed_1t4l 1
21 1 1 . . . . . . . . . 403 . HN parsed_1t4l 1
21 1 2 . . . . . . . . . 388 . HG** parsed_1t4l 1
21 1 2 . . . . . . . . . 390 . HG** parsed_1t4l 1
22 1 1 . . . . . . . . . 406 . HA parsed_1t4l 1
22 1 2 . . . . . . . . . 385 . HB* parsed_1t4l 1
22 1 2 . . . . . . . . . 385 . HG parsed_1t4l 1
23 1 1 . . . . . . . . . 406 . HG1* parsed_1t4l 1
23 1 2 . . . . . . . . . 407 . HA* parsed_1t4l 1
23 1 2 . . . . . . . . . 410 . HA parsed_1t4l 1
24 1 1 . . . . . . . . . 407 . HN parsed_1t4l 1
24 1 2 . . . . . . . . . 383 . HD1* parsed_1t4l 1
24 1 2 . . . . . . . . . 385 . HD2* parsed_1t4l 1
25 1 1 . . . . . . . . . 407 . HN parsed_1t4l 1
25 1 2 . . . . . . . . . 383 . HD2* parsed_1t4l 1
25 1 2 . . . . . . . . . 406 . HG2* parsed_1t4l 1
26 1 1 . . . . . . . . . 407 . HN parsed_1t4l 1
26 1 2 . . . . . . . . . 385 . HD1* parsed_1t4l 1
26 1 2 . . . . . . . . . 406 . HG1* parsed_1t4l 1
27 1 1 . . . . . . . . . 409 . HN parsed_1t4l 1
27 1 2 . . . . . . . . . 407 . HA* parsed_1t4l 1
27 1 2 . . . . . . . . . 410 . HA parsed_1t4l 1
28 1 1 . . . . . . . . . 412 . HD1* parsed_1t4l 1
28 1 2 . . . . . . . . . 410 . HB parsed_1t4l 1
28 1 2 . . . . . . . . . 411 . HA parsed_1t4l 1
29 1 1 . . . . . . . . . 415 . HN parsed_1t4l 1
29 1 2 . . . . . . . . . 401 . HD1* parsed_1t4l 1
29 1 2 . . . . . . . . . 401 . HG2* parsed_1t4l 1
30 1 1 . . . . . . . . . 426 . HD* parsed_1t4l 1
30 1 2 . . . . . . . . . 422 . HD1* parsed_1t4l 1
30 1 2 . . . . . . . . . 425 . HD1* parsed_1t4l 1
31 1 1 . . . . . . . . . 426 . HN parsed_1t4l 1
31 1 2 . . . . . . . . . 417 . HA* parsed_1t4l 1
31 1 2 . . . . . . . . . 427 . HA parsed_1t4l 1
32 1 1 . . . . . . . . . 430 . HD21 parsed_1t4l 1
32 1 2 . . . . . . . . . 414 . HA parsed_1t4l 1
32 1 2 . . . . . . . . . 427 . HA parsed_1t4l 1
33 1 1 . . . . . . . . . 430 . HD22 parsed_1t4l 1
33 1 2 . . . . . . . . . 414 . HA parsed_1t4l 1
33 1 2 . . . . . . . . . 427 . HA parsed_1t4l 1
34 1 1 . . . . . . . . . 433 . HN parsed_1t4l 1
34 1 2 . . . . . . . . . 412 . HB* parsed_1t4l 1
34 1 2 . . . . . . . . . 412 . HG parsed_1t4l 1
35 1 1 . . . . . . . . . 442 . HN parsed_1t4l 1
35 1 2 . . . . . . . . . 380 . HE* parsed_1t4l 1
35 1 2 . . . . . . . . . 441 . HE* parsed_1t4l 1
36 1 1 . . . . . . . . . 444 . HN parsed_1t4l 1
36 1 2 . . . . . . . . . 443 . HD* parsed_1t4l 1
36 1 2 . . . . . . . . . 443 . HG* parsed_1t4l 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 . . . . . 4.50 1.80 4.50 parsed_1t4l 1
2 1 . . . . . 3.00 1.80 3.00 parsed_1t4l 1
3 1 . . . . . 3.00 1.80 3.00 parsed_1t4l 1
4 1 . . . . . 3.00 1.80 4.50 parsed_1t4l 1
5 1 . . . . . 3.00 1.80 4.50 parsed_1t4l 1
6 1 . . . . . 4.50 0.80 4.50 parsed_1t4l 1
7 1 . . . . . 4.50 1.80 4.50 parsed_1t4l 1
8 1 . . . . . 3.00 1.80 3.00 parsed_1t4l 1
9 1 . . . . . 3.00 1.80 3.00 parsed_1t4l 1
10 1 . . . . . 3.00 1.80 3.00 parsed_1t4l 1
11 1 . . . . . 3.00 1.80 3.00 parsed_1t4l 1
12 1 . . . . . 3.00 1.80 3.00 parsed_1t4l 1
13 1 . . . . . 4.50 1.80 4.50 parsed_1t4l 1
14 1 . . . . . 4.50 1.80 4.50 parsed_1t4l 1
15 1 . . . . . 4.50 1.80 4.50 parsed_1t4l 1
16 1 . . . . . 3.00 1.80 3.00 parsed_1t4l 1
17 1 . . . . . 3.00 1.80 3.00 parsed_1t4l 1
18 1 . . . . . 3.00 1.80 3.00 parsed_1t4l 1
19 1 . . . . . 3.00 1.80 3.00 parsed_1t4l 1
20 1 . . . . . 3.00 1.80 3.00 parsed_1t4l 1
21 1 . . . . . 3.00 1.80 3.00 parsed_1t4l 1
22 1 . . . . . 4.50 1.80 4.50 parsed_1t4l 1
23 1 . . . . . 4.50 1.80 4.50 parsed_1t4l 1
24 1 . . . . . 6.00 1.80 6.00 parsed_1t4l 1
25 1 . . . . . 4.50 1.80 4.50 parsed_1t4l 1
26 1 . . . . . 4.50 1.80 4.50 parsed_1t4l 1
27 1 . . . . . 4.50 1.80 4.50 parsed_1t4l 1
28 1 . . . . . 4.50 1.80 4.50 parsed_1t4l 1
29 1 . . . . . 4.50 1.80 4.50 parsed_1t4l 1
30 1 . . . . . 6.00 1.80 6.00 parsed_1t4l 1
31 1 . . . . . 4.50 1.80 6.00 parsed_1t4l 1
32 1 . . . . . 4.50 1.80 4.50 parsed_1t4l 1
33 1 . . . . . 4.50 1.80 4.50 parsed_1t4l 1
34 1 . . . . . 4.50 1.80 4.50 parsed_1t4l 1
35 1 . . . . . 6.00 1.80 6.00 parsed_1t4l 1
36 1 . . . . . 3.00 1.80 3.00 parsed_1t4l 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 "ambigous NOEs ( 36 )" 1 1 1 22 parsed_1t4l 1
stop_
save_
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