NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
466787 |
2ktu   |
cing | 2-parsed | STAR | dipolar coupling | 69 |
data_2ktu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ktu
_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_2ktu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ktu
_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 2ktu "Master copy" parsed_2ktu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ktu
_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 2ktu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ktu 1
1 2ktu.mr . . XPLOR/CNS 2 distance NOE simple 1852 parsed_2ktu 1
1 2ktu.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 214 parsed_2ktu 1
1 2ktu.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 69 parsed_2ktu 1
1 2ktu.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ktu 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2ktu
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 9.827 . . . . . 288 . N . 288 . HN parsed_2ktu 1
2 . . . . . . . . . . . . . . . . 8.346 . . . . . 291 . N . 291 . HN parsed_2ktu 1
3 . . . . . . . . . . . . . . . . 5.283 . . . . . 295 . N . 295 . HN parsed_2ktu 1
4 . . . . . . . . . . . . . . . . 2.437 . . . . . 296 . N . 296 . HN parsed_2ktu 1
5 . . . . . . . . . . . . . . . . 4.261 . . . . . 298 . N . 298 . HN parsed_2ktu 1
6 . . . . . . . . . . . . . . . . -27.453 . . . . . 299 . N . 299 . HN parsed_2ktu 1
7 . . . . . . . . . . . . . . . . 9.069 . . . . . 301 . N . 301 . HN parsed_2ktu 1
8 . . . . . . . . . . . . . . . . 8.314 . . . . . 302 . N . 302 . HN parsed_2ktu 1
9 . . . . . . . . . . . . . . . . 13.991 . . . . . 303 . N . 303 . HN parsed_2ktu 1
10 . . . . . . . . . . . . . . . . 15.253 . . . . . 304 . N . 304 . HN parsed_2ktu 1
11 . . . . . . . . . . . . . . . . -33.446 . . . . . 308 . N . 308 . HN parsed_2ktu 1
12 . . . . . . . . . . . . . . . . -23.779 . . . . . 312 . N . 312 . HN parsed_2ktu 1
13 . . . . . . . . . . . . . . . . -21.15 . . . . . 313 . N . 313 . HN parsed_2ktu 1
14 . . . . . . . . . . . . . . . . -29.824 . . . . . 314 . N . 314 . HN parsed_2ktu 1
15 . . . . . . . . . . . . . . . . -9.366 . . . . . 315 . N . 315 . HN parsed_2ktu 1
16 . . . . . . . . . . . . . . . . 0.265 . . . . . 318 . N . 318 . HN parsed_2ktu 1
17 . . . . . . . . . . . . . . . . -7.46 . . . . . 319 . N . 319 . HN parsed_2ktu 1
18 . . . . . . . . . . . . . . . . -15.634 . . . . . 320 . N . 320 . HN parsed_2ktu 1
19 . . . . . . . . . . . . . . . . 6.597 . . . . . 321 . N . 321 . HN parsed_2ktu 1
20 . . . . . . . . . . . . . . . . -4.786 . . . . . 322 . N . 322 . HN parsed_2ktu 1
21 . . . . . . . . . . . . . . . . 28.43 . . . . . 324 . N . 324 . HN parsed_2ktu 1
22 . . . . . . . . . . . . . . . . -19.426 . . . . . 326 . N . 326 . HN parsed_2ktu 1
23 . . . . . . . . . . . . . . . . 14.33 . . . . . 328 . N . 328 . HN parsed_2ktu 1
24 . . . . . . . . . . . . . . . . 0.546 . . . . . 330 . N . 330 . HN parsed_2ktu 1
25 . . . . . . . . . . . . . . . . 2.308 . . . . . 331 . N . 331 . HN parsed_2ktu 1
26 . . . . . . . . . . . . . . . . 0.576 . . . . . 332 . N . 332 . HN parsed_2ktu 1
27 . . . . . . . . . . . . . . . . 11.374 . . . . . 333 . N . 333 . HN parsed_2ktu 1
28 . . . . . . . . . . . . . . . . -11.665 . . . . . 335 . N . 335 . HN parsed_2ktu 1
29 . . . . . . . . . . . . . . . . -5.587 . . . . . 338 . N . 338 . HN parsed_2ktu 1
30 . . . . . . . . . . . . . . . . -5.058 . . . . . 340 . N . 340 . HN parsed_2ktu 1
31 . . . . . . . . . . . . . . . . 0.692 . . . . . 343 . N . 343 . HN parsed_2ktu 1
32 . . . . . . . . . . . . . . . . 8.017 . . . . . 344 . N . 344 . HN parsed_2ktu 1
33 . . . . . . . . . . . . . . . . -16.326 . . . . . 346 . N . 346 . HN parsed_2ktu 1
34 . . . . . . . . . . . . . . . . 2.387 . . . . . 347 . N . 347 . HN parsed_2ktu 1
35 . . . . . . . . . . . . . . . . 25.418 . . . . . 349 . N . 349 . HN parsed_2ktu 1
36 . . . . . . . . . . . . . . . . 29.121 . . . . . 351 . N . 351 . HN parsed_2ktu 1
37 . . . . . . . . . . . . . . . . -8.994 . . . . . 355 . N . 355 . HN parsed_2ktu 1
38 . . . . . . . . . . . . . . . . 3.114 . . . . . 358 . N . 358 . HN parsed_2ktu 1
39 . . . . . . . . . . . . . . . . 11.686 . . . . . 359 . N . 359 . HN parsed_2ktu 1
40 . . . . . . . . . . . . . . . . 3.588 . . . . . 362 . N . 362 . HN parsed_2ktu 1
41 . . . . . . . . . . . . . . . . 16.301 . . . . . 363 . N . 363 . HN parsed_2ktu 1
42 . . . . . . . . . . . . . . . . 4.036 . . . . . 364 . N . 364 . HN parsed_2ktu 1
43 . . . . . . . . . . . . . . . . 15.951 . . . . . 365 . N . 365 . HN parsed_2ktu 1
44 . . . . . . . . . . . . . . . . -2.985 . . . . . 371 . N . 371 . HN parsed_2ktu 1
45 . . . . . . . . . . . . . . . . 5.323 . . . . . 372 . N . 372 . HN parsed_2ktu 1
46 . . . . . . . . . . . . . . . . -14.599 . . . . . 376 . N . 376 . HN parsed_2ktu 1
47 . . . . . . . . . . . . . . . . -3.419 . . . . . 379 . N . 379 . HN parsed_2ktu 1
48 . . . . . . . . . . . . . . . . 10.264 . . . . . 383 . N . 383 . HN parsed_2ktu 1
49 . . . . . . . . . . . . . . . . -7.336 . . . . . 385 . N . 385 . HN parsed_2ktu 1
50 . . . . . . . . . . . . . . . . 6.847 . . . . . 386 . N . 386 . HN parsed_2ktu 1
51 . . . . . . . . . . . . . . . . 29.175 . . . . . 387 . N . 387 . HN parsed_2ktu 1
52 . . . . . . . . . . . . . . . . -1.008 . . . . . 388 . N . 388 . HN parsed_2ktu 1
53 . . . . . . . . . . . . . . . . -15.718 . . . . . 389 . N . 389 . HN parsed_2ktu 1
54 . . . . . . . . . . . . . . . . 16.177 . . . . . 392 . N . 392 . HN parsed_2ktu 1
55 . . . . . . . . . . . . . . . . 19.644 . . . . . 393 . N . 393 . HN parsed_2ktu 1
56 . . . . . . . . . . . . . . . . 21.317 . . . . . 394 . N . 394 . HN parsed_2ktu 1
57 . . . . . . . . . . . . . . . . 25.666 . . . . . 399 . N . 399 . HN parsed_2ktu 1
58 . . . . . . . . . . . . . . . . 25.29 . . . . . 400 . N . 400 . HN parsed_2ktu 1
59 . . . . . . . . . . . . . . . . 1.359 . . . . . 401 . N . 401 . HN parsed_2ktu 1
60 . . . . . . . . . . . . . . . . 13.129 . . . . . 405 . N . 405 . HN parsed_2ktu 1
61 . . . . . . . . . . . . . . . . 16.24 . . . . . 406 . N . 406 . HN parsed_2ktu 1
62 . . . . . . . . . . . . . . . . -15.597 . . . . . 407 . N . 407 . HN parsed_2ktu 1
63 . . . . . . . . . . . . . . . . 18.208 . . . . . 408 . N . 408 . HN parsed_2ktu 1
64 . . . . . . . . . . . . . . . . -12.962 . . . . . 409 . N . 409 . HN parsed_2ktu 1
65 . . . . . . . . . . . . . . . . -6.049 . . . . . 410 . N . 410 . HN parsed_2ktu 1
66 . . . . . . . . . . . . . . . . -4.001 . . . . . 411 . N . 411 . HN parsed_2ktu 1
67 . . . . . . . . . . . . . . . . -1.584 . . . . . 412 . N . 412 . HN parsed_2ktu 1
68 . . . . . . . . . . . . . . . . -11.484 . . . . . 413 . N . 413 . HN parsed_2ktu 1
69 . . . . . . . . . . . . . . . . 30.378 . . . . . 414 . N . 414 . HN parsed_2ktu 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1
;
Residual Dipolar Coupling restraints (69)
alignment tensor parameters Da= R=
;
1 1 2 38 parsed_2ktu 1
stop_
save_
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