NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
564808 |
4bf8   |
19100 | cing | 2-parsed | STAR | dipolar coupling | 50 |
data_4bf8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_4bf8
_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_4bf8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_4bf8
_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 4bf8 "Master copy" parsed_4bf8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_4bf8
_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 4bf8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_4bf8 1
1 4bf8.mr . . XPLOR/CNS 2 distance NOE ambi 2337 parsed_4bf8 1
1 4bf8.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 82 parsed_4bf8 1
1 4bf8.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 191 parsed_4bf8 1
1 4bf8.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 50 parsed_4bf8 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_4bf8
_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 . . . . . . . . . . . . . . . . -3.98 . . . . . 282 . HN . 282 . N parsed_4bf8 1
2 . . . . . . . . . . . . . . . . 4.42 . . . . . 283 . HN . 283 . N parsed_4bf8 1
3 . . . . . . . . . . . . . . . . -3.67 . . . . . 284 . HN . 284 . N parsed_4bf8 1
4 . . . . . . . . . . . . . . . . -0.81 . . . . . 285 . HN . 285 . N parsed_4bf8 1
5 . . . . . . . . . . . . . . . . -5.17 . . . . . 286 . HN . 286 . N parsed_4bf8 1
6 . . . . . . . . . . . . . . . . 7.85 . . . . . 287 . HN . 287 . N parsed_4bf8 1
7 . . . . . . . . . . . . . . . . -10.97 . . . . . 288 . HN . 288 . N parsed_4bf8 1
8 . . . . . . . . . . . . . . . . -1.18 . . . . . 289 . HN . 289 . N parsed_4bf8 1
9 . . . . . . . . . . . . . . . . -7.61 . . . . . 290 . HN . 290 . N parsed_4bf8 1
10 . . . . . . . . . . . . . . . . -1.26 . . . . . 291 . HN . 291 . N parsed_4bf8 1
11 . . . . . . . . . . . . . . . . -2.94 . . . . . 292 . HN . 292 . N parsed_4bf8 1
12 . . . . . . . . . . . . . . . . 0.64 . . . . . 293 . HN . 293 . N parsed_4bf8 1
13 . . . . . . . . . . . . . . . . -0.94 . . . . . 294 . HN . 294 . N parsed_4bf8 1
14 . . . . . . . . . . . . . . . . 5.47 . . . . . 306 . HN . 306 . N parsed_4bf8 1
15 . . . . . . . . . . . . . . . . 7.23 . . . . . 308 . HN . 308 . N parsed_4bf8 1
16 . . . . . . . . . . . . . . . . 2.94 . . . . . 309 . HN . 309 . N parsed_4bf8 1
17 . . . . . . . . . . . . . . . . 4.25 . . . . . 310 . HN . 310 . N parsed_4bf8 1
18 . . . . . . . . . . . . . . . . 5.27 . . . . . 311 . HN . 311 . N parsed_4bf8 1
19 . . . . . . . . . . . . . . . . -1.18 . . . . . 312 . HN . 312 . N parsed_4bf8 1
20 . . . . . . . . . . . . . . . . -5.25 . . . . . 313 . HN . 313 . N parsed_4bf8 1
21 . . . . . . . . . . . . . . . . -3.55 . . . . . 316 . HN . 316 . N parsed_4bf8 1
22 . . . . . . . . . . . . . . . . 3.29 . . . . . 332 . HN . 332 . N parsed_4bf8 1
23 . . . . . . . . . . . . . . . . 1.34 . . . . . 333 . HN . 333 . N parsed_4bf8 1
24 . . . . . . . . . . . . . . . . 2.88 . . . . . 334 . HN . 334 . N parsed_4bf8 1
25 . . . . . . . . . . . . . . . . 3.55 . . . . . 335 . HN . 335 . N parsed_4bf8 1
26 . . . . . . . . . . . . . . . . 5.97 . . . . . 336 . HN . 336 . N parsed_4bf8 1
27 . . . . . . . . . . . . . . . . 6.61 . . . . . 344 . HN . 344 . N parsed_4bf8 1
28 . . . . . . . . . . . . . . . . 4.91 . . . . . 345 . HN . 345 . N parsed_4bf8 1
29 . . . . . . . . . . . . . . . . 4.33 . . . . . 346 . HN . 346 . N parsed_4bf8 1
30 . . . . . . . . . . . . . . . . 5.47 . . . . . 347 . HN . 347 . N parsed_4bf8 1
31 . . . . . . . . . . . . . . . . 6.58 . . . . . 348 . HN . 348 . N parsed_4bf8 1
32 . . . . . . . . . . . . . . . . 3.76 . . . . . 349 . HN . 349 . N parsed_4bf8 1
33 . . . . . . . . . . . . . . . . -1.65 . . . . . 356 . HN . 356 . N parsed_4bf8 1
34 . . . . . . . . . . . . . . . . 3.34 . . . . . 357 . HN . 357 . N parsed_4bf8 1
35 . . . . . . . . . . . . . . . . 3.27 . . . . . 358 . HN . 358 . N parsed_4bf8 1
36 . . . . . . . . . . . . . . . . 4.45 . . . . . 359 . HN . 359 . N parsed_4bf8 1
37 . . . . . . . . . . . . . . . . -5.33 . . . . . 360 . HN . 360 . N parsed_4bf8 1
38 . . . . . . . . . . . . . . . . -1.86 . . . . . 361 . HN . 361 . N parsed_4bf8 1
39 . . . . . . . . . . . . . . . . -9.56 . . . . . 362 . HN . 362 . N parsed_4bf8 1
40 . . . . . . . . . . . . . . . . 6.57 . . . . . 364 . HN . 364 . N parsed_4bf8 1
41 . . . . . . . . . . . . . . . . 0.43 . . . . . 366 . HN . 366 . N parsed_4bf8 1
42 . . . . . . . . . . . . . . . . 7.10 . . . . . 367 . HN . 367 . N parsed_4bf8 1
43 . . . . . . . . . . . . . . . . -4.17 . . . . . 368 . HN . 368 . N parsed_4bf8 1
44 . . . . . . . . . . . . . . . . -8.72 . . . . . 382 . HN . 382 . N parsed_4bf8 1
45 . . . . . . . . . . . . . . . . -6.67 . . . . . 383 . HN . 383 . N parsed_4bf8 1
46 . . . . . . . . . . . . . . . . -6.96 . . . . . 384 . HN . 384 . N parsed_4bf8 1
47 . . . . . . . . . . . . . . . . -1.51 . . . . . 385 . HN . 385 . N parsed_4bf8 1
48 . . . . . . . . . . . . . . . . 2.48 . . . . . 388 . HN . 388 . N parsed_4bf8 1
49 . . . . . . . . . . . . . . . . 1.51 . . . . . 389 . HN . 389 . N parsed_4bf8 1
50 . . . . . . . . . . . . . . . . 3.28 . . . . . 390 . HN . 390 . N parsed_4bf8 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
;
!aligned with PEG/hexanol with splitting 33.5 Hz
!
!Da=-6
!R=0.28
!only for secondary structure elements
;
1 1 5 40 parsed_4bf8 1
stop_
save_
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