NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
625920 |
6aly   |
30330 | cing | 2-parsed | STAR | dipolar coupling | 70 |
data_6aly_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6aly
_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_6aly 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6aly
_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 6aly "Master copy" parsed_6aly
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6aly
_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 6aly.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6aly 1
1 6aly.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 102 parsed_6aly 1
1 6aly.mr . . XPLOR/CNS 3 distance NOE simple 114 parsed_6aly 1
1 6aly.mr . . XPLOR/CNS 4 distance NOE ambi 12 parsed_6aly 1
1 6aly.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 70 parsed_6aly 1
1 6aly.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6aly 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6aly
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . -0.396 . . . . A 280 . N A 280 . HN parsed_6aly 1
2 . . . . . . . . . . . . . . . . -0.397 . . . . A 281 . N A 281 . HN parsed_6aly 1
3 . . . . . . . . . . . . . . . . 1.445 . . . . A 282 . N A 282 . HN parsed_6aly 1
4 . . . . . . . . . . . . . . . . 15.26 . . . . A 283 . N A 283 . HN parsed_6aly 1
5 . . . . . . . . . . . . . . . . -0.397 . . . . A 284 . N A 284 . HN parsed_6aly 1
6 . . . . . . . . . . . . . . . . 6.971 . . . . A 285 . N A 285 . HN parsed_6aly 1
7 . . . . . . . . . . . . . . . . -0.396 . . . . A 286 . N A 286 . HN parsed_6aly 1
8 . . . . . . . . . . . . . . . . -0.395 . . . . A 288 . N A 288 . HN parsed_6aly 1
9 . . . . . . . . . . . . . . . . -0.397 . . . . A 289 . N A 289 . HN parsed_6aly 1
10 . . . . . . . . . . . . . . . . -30.33 . . . . A 292 . N A 292 . HN parsed_6aly 1
11 . . . . . . . . . . . . . . . . -2.070 . . . . A 293 . N A 293 . HN parsed_6aly 1
12 . . . . . . . . . . . . . . . . 2.366 . . . . A 294 . N A 294 . HN parsed_6aly 1
13 . . . . . . . . . . . . . . . . 6.972 . . . . A 295 . N A 295 . HN parsed_6aly 1
14 . . . . . . . . . . . . . . . . -13.29 . . . . A 296 . N A 296 . HN parsed_6aly 1
15 . . . . . . . . . . . . . . . . 7.892 . . . . A 297 . N A 297 . HN parsed_6aly 1
16 . . . . . . . . . . . . . . . . -0.396 . . . . A 298 . N A 298 . HN parsed_6aly 1
17 . . . . . . . . . . . . . . . . -19.73 . . . . A 299 . N A 299 . HN parsed_6aly 1
18 . . . . . . . . . . . . . . . . 6.051 . . . . A 300 . N A 300 . HN parsed_6aly 1
19 . . . . . . . . . . . . . . . . 23.54 . . . . A 301 . N A 301 . HN parsed_6aly 1
20 . . . . . . . . . . . . . . . . -19.73 . . . . A 303 . N A 303 . HN parsed_6aly 1
21 . . . . . . . . . . . . . . . . -0.396 . . . . A 304 . N A 304 . HN parsed_6aly 1
22 . . . . . . . . . . . . . . . . 4.155 . . . . A 305 . N A 305 . HN parsed_6aly 1
23 . . . . . . . . . . . . . . . . -0.397 . . . . A 306 . N A 306 . HN parsed_6aly 1
24 . . . . . . . . . . . . . . . . -26.18 . . . . A 307 . N A 307 . HN parsed_6aly 1
25 . . . . . . . . . . . . . . . . -0.397 . . . . A 308 . N A 308 . HN parsed_6aly 1
26 . . . . . . . . . . . . . . . . -9.606 . . . . A 310 . N A 310 . HN parsed_6aly 1
27 . . . . . . . . . . . . . . . . -12.36 . . . . A 311 . N A 311 . HN parsed_6aly 1
28 . . . . . . . . . . . . . . . . 6.971 . . . . A 312 . N A 312 . HN parsed_6aly 1
29 . . . . . . . . . . . . . . . . -0.397 . . . . A 314 . N A 314 . HN parsed_6aly 1
30 . . . . . . . . . . . . . . . . -0.396 . . . . A 315 . N A 315 . HN parsed_6aly 1
31 . . . . . . . . . . . . . . . . -1.317 . . . . A 317 . N A 317 . HN parsed_6aly 1
32 . . . . . . . . . . . . . . . . 5.130 . . . . A 318 . N A 318 . HN parsed_6aly 1
33 . . . . . . . . . . . . . . . . -0.397 . . . . A 320 . N A 320 . HN parsed_6aly 1
34 . . . . . . . . . . . . . . . . -5.922 . . . . A 321 . N A 321 . HN parsed_6aly 1
35 . . . . . . . . . . . . . . . . -0.395 . . . . A 322 . N A 322 . HN parsed_6aly 1
36 . . . . . . . . . . . . . . . . 8.814 . . . . A 323 . N A 323 . HN parsed_6aly 1
37 . . . . . . . . . . . . . . . . 6.971 . . . . A 324 . N A 324 . HN parsed_6aly 1
38 . . . . . . . . . . . . . . . . -0.217 . . . . A 325 . N A 325 . HN parsed_6aly 1
39 . . . . . . . . . . . . . . . . -1.318 . . . . A 326 . N A 326 . HN parsed_6aly 1
40 . . . . . . . . . . . . . . . . -9.606 . . . . A 327 . N A 327 . HN parsed_6aly 1
41 . . . . . . . . . . . . . . . . 1.448 . . . . A 328 . N A 328 . HN parsed_6aly 1
42 . . . . . . . . . . . . . . . . 5.996 . . . . A 329 . N A 329 . HN parsed_6aly 1
43 . . . . . . . . . . . . . . . . 6.972 . . . . A 330 . N A 330 . HN parsed_6aly 1
44 . . . . . . . . . . . . . . . . -38.97 . . . . A 332 . N A 332 . HN parsed_6aly 1
45 . . . . . . . . . . . . . . . . -22.49 . . . . A 333 . N A 333 . HN parsed_6aly 1
46 . . . . . . . . . . . . . . . . -30.78 . . . . A 334 . N A 334 . HN parsed_6aly 1
47 . . . . . . . . . . . . . . . . -31.71 . . . . A 335 . N A 335 . HN parsed_6aly 1
48 . . . . . . . . . . . . . . . . -13.28 . . . . A 337 . N A 337 . HN parsed_6aly 1
49 . . . . . . . . . . . . . . . . -35.39 . . . . A 338 . N A 338 . HN parsed_6aly 1
50 . . . . . . . . . . . . . . . . -34.12 . . . . A 339 . N A 339 . HN parsed_6aly 1
51 . . . . . . . . . . . . . . . . -31.18 . . . . A 340 . N A 340 . HN parsed_6aly 1
52 . . . . . . . . . . . . . . . . -30.79 . . . . A 342 . N A 342 . HN parsed_6aly 1
53 . . . . . . . . . . . . . . . . -31.71 . . . . A 343 . N A 343 . HN parsed_6aly 1
54 . . . . . . . . . . . . . . . . -28.94 . . . . A 344 . N A 344 . HN parsed_6aly 1
55 . . . . . . . . . . . . . . . . -27.10 . . . . A 345 . N A 345 . HN parsed_6aly 1
56 . . . . . . . . . . . . . . . . -30.78 . . . . A 347 . N A 347 . HN parsed_6aly 1
57 . . . . . . . . . . . . . . . . -27.10 . . . . A 348 . N A 348 . HN parsed_6aly 1
58 . . . . . . . . . . . . . . . . -33.55 . . . . A 350 . N A 350 . HN parsed_6aly 1
59 . . . . . . . . . . . . . . . . -28.02 . . . . A 351 . N A 351 . HN parsed_6aly 1
60 . . . . . . . . . . . . . . . . -20.65 . . . . A 352 . N A 352 . HN parsed_6aly 1
61 . . . . . . . . . . . . . . . . -0.397 . . . . A 353 . N A 353 . HN parsed_6aly 1
62 . . . . . . . . . . . . . . . . -0.397 . . . . A 355 . N A 355 . HN parsed_6aly 1
63 . . . . . . . . . . . . . . . . -8.685 . . . . A 356 . N A 356 . HN parsed_6aly 1
64 . . . . . . . . . . . . . . . . 0.526 . . . . A 357 . N A 357 . HN parsed_6aly 1
65 . . . . . . . . . . . . . . . . -0.397 . . . . A 361 . N A 361 . HN parsed_6aly 1
66 . . . . . . . . . . . . . . . . -0.396 . . . . A 362 . N A 362 . HN parsed_6aly 1
67 . . . . . . . . . . . . . . . . -2.925 . . . . A 365 . N A 365 . HN parsed_6aly 1
68 . . . . . . . . . . . . . . . . -0.396 . . . . A 366 . N A 366 . HN parsed_6aly 1
69 . . . . . . . . . . . . . . . . -0.397 . . . . A 367 . N A 367 . HN parsed_6aly 1
70 . . . . . . . . . . . . . . . . -0.397 . . . . A 368 . N A 368 . HN parsed_6aly 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
;
assign ( segid A and resid 500 and name OO )
( segid A and resid 500 and name Z )
( segid A and resid 500 and name X )
( segid A and resid 500 and name Y )
( segid A and resid 278 and name N )
( segid A and resid 278 and name HN ) -0.397 0.5000
;
2 1 7 63 parsed_6aly 1
2
;
assign ( segid A and resid 500 and name OO )
( segid A and resid 500 and name Z )
( segid A and resid 500 and name X )
( segid A and resid 500 and name Y )
( segid A and resid 313 and name N )
( segid A and resid 313 and name HN ) -0.396 0.5000
;
205 1 210 63 parsed_6aly 1
3
;
assign ( segid A and resid 500 and name OO )
( segid A and resid 500 and name Z )
( segid A and resid 500 and name X )
( segid A and resid 500 and name Y )
( segid A and resid 341 and name N )
( segid A and resid 341 and name HN ) -0.396 0.5000
;
373 1 378 63 parsed_6aly 1
4
;
assign ( segid A and resid 500 and name OO )
( segid A and resid 500 and name Z )
( segid A and resid 500 and name X )
( segid A and resid 500 and name Y )
( segid A and resid 358 and name N )
( segid A and resid 358 and name HN ) -0.396 0.5000
;
471 1 476 63 parsed_6aly 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1 "# Restraints file 3: abd2_rdc_xplorB" 1 1 1 36 parsed_6aly 1
stop_
save_
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