NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
528038 |
2l8b   |
16971 | cing | 2-parsed | STAR | dipolar coupling | 86 |
data_2l8b_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l8b
_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_2l8b 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l8b
_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 2l8b "Master copy" parsed_2l8b
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l8b
_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 2l8b.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l8b 1
1 2l8b.mr . . XPLOR/CNS 2 distance NOE simple 2068 parsed_2l8b 1
1 2l8b.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 241 parsed_2l8b 1
1 2l8b.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 86 parsed_2l8b 1
1 2l8b.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l8b 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2l8b
_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 . . . . . . . . . . . . . . . . 3.71 . . . . f200 391 . n f200 391 . hn parsed_2l8b 1
2 . . . . . . . . . . . . . . . . -8.27 . . . . f200 396 . n f200 396 . hn parsed_2l8b 1
3 . . . . . . . . . . . . . . . . -2.65 . . . . f200 400 . n f200 400 . hn parsed_2l8b 1
4 . . . . . . . . . . . . . . . . 5.77 . . . . f200 402 . n f200 402 . hn parsed_2l8b 1
5 . . . . . . . . . . . . . . . . 2.19 . . . . f200 403 . n f200 403 . hn parsed_2l8b 1
6 . . . . . . . . . . . . . . . . 12.89 . . . . f200 404 . n f200 404 . hn parsed_2l8b 1
7 . . . . . . . . . . . . . . . . 9.85 . . . . f200 405 . n f200 405 . hn parsed_2l8b 1
8 . . . . . . . . . . . . . . . . 9.36 . . . . f200 406 . n f200 406 . hn parsed_2l8b 1
9 . . . . . . . . . . . . . . . . 4.86 . . . . f200 407 . n f200 407 . hn parsed_2l8b 1
10 . . . . . . . . . . . . . . . . -5.53 . . . . f200 408 . n f200 408 . hn parsed_2l8b 1
11 . . . . . . . . . . . . . . . . -11.18 . . . . f200 410 . n f200 410 . hn parsed_2l8b 1
12 . . . . . . . . . . . . . . . . 11.1 . . . . f200 412 . n f200 412 . hn parsed_2l8b 1
13 . . . . . . . . . . . . . . . . -15.87 . . . . f200 413 . n f200 413 . hn parsed_2l8b 1
14 . . . . . . . . . . . . . . . . 12.10 . . . . f200 415 . n f200 415 . hn parsed_2l8b 1
15 . . . . . . . . . . . . . . . . -16.23 . . . . f200 416 . n f200 416 . hn parsed_2l8b 1
16 . . . . . . . . . . . . . . . . -9.9 . . . . f200 417 . n f200 417 . hn parsed_2l8b 1
17 . . . . . . . . . . . . . . . . -3.04 . . . . f200 418 . n f200 418 . hn parsed_2l8b 1
18 . . . . . . . . . . . . . . . . 6.8 . . . . f200 419 . n f200 419 . hn parsed_2l8b 1
19 . . . . . . . . . . . . . . . . 5.11 . . . . f200 420 . n f200 420 . hn parsed_2l8b 1
20 . . . . . . . . . . . . . . . . 0.49 . . . . f200 424 . n f200 424 . hn parsed_2l8b 1
21 . . . . . . . . . . . . . . . . 1.03 . . . . f200 426 . n f200 426 . hn parsed_2l8b 1
22 . . . . . . . . . . . . . . . . -8.57 . . . . f200 427 . n f200 427 . hn parsed_2l8b 1
23 . . . . . . . . . . . . . . . . 4.19 . . . . f200 428 . n f200 428 . hn parsed_2l8b 1
24 . . . . . . . . . . . . . . . . -11.91 . . . . f200 430 . n f200 430 . hn parsed_2l8b 1
25 . . . . . . . . . . . . . . . . 16.42 . . . . f200 433 . n f200 433 . hn parsed_2l8b 1
26 . . . . . . . . . . . . . . . . 15.87 . . . . f200 434 . n f200 434 . hn parsed_2l8b 1
27 . . . . . . . . . . . . . . . . 18.06 . . . . f200 437 . n f200 437 . hn parsed_2l8b 1
28 . . . . . . . . . . . . . . . . 10.76 . . . . f200 438 . n f200 438 . hn parsed_2l8b 1
29 . . . . . . . . . . . . . . . . 5.23 . . . . f200 444 . n f200 444 . hn parsed_2l8b 1
30 . . . . . . . . . . . . . . . . -7.85 . . . . f200 449 . n f200 449 . hn parsed_2l8b 1
31 . . . . . . . . . . . . . . . . 2.98 . . . . f200 454 . n f200 454 . hn parsed_2l8b 1
32 . . . . . . . . . . . . . . . . 3.71 . . . . f200 456 . n f200 456 . hn parsed_2l8b 1
33 . . . . . . . . . . . . . . . . 5.41 . . . . f200 457 . n f200 457 . hn parsed_2l8b 1
34 . . . . . . . . . . . . . . . . 4.50 . . . . f200 458 . n f200 458 . hn parsed_2l8b 1
35 . . . . . . . . . . . . . . . . -12.1 . . . . f200 460 . n f200 460 . hn parsed_2l8b 1
36 . . . . . . . . . . . . . . . . -4.01 . . . . f200 463 . n f200 463 . hn parsed_2l8b 1
37 . . . . . . . . . . . . . . . . 10.58 . . . . f200 465 . n f200 465 . hn parsed_2l8b 1
38 . . . . . . . . . . . . . . . . 16.84 . . . . f200 466 . n f200 466 . hn parsed_2l8b 1
39 . . . . . . . . . . . . . . . . 12.4 . . . . f200 467 . n f200 467 . hn parsed_2l8b 1
40 . . . . . . . . . . . . . . . . -10.33 . . . . f200 472 . n f200 472 . hn parsed_2l8b 1
41 . . . . . . . . . . . . . . . . -12.1 . . . . f200 474 . n f200 474 . hn parsed_2l8b 1
42 . . . . . . . . . . . . . . . . -20.85 . . . . f200 475 . n f200 475 . hn parsed_2l8b 1
43 . . . . . . . . . . . . . . . . 2.37 . . . . f200 481 . n f200 481 . hn parsed_2l8b 1
44 . . . . . . . . . . . . . . . . -13.86 . . . . f200 483 . n f200 483 . hn parsed_2l8b 1
45 . . . . . . . . . . . . . . . . 15.15 . . . . f200 484 . n f200 484 . hn parsed_2l8b 1
46 . . . . . . . . . . . . . . . . 17.93 . . . . f200 486 . n f200 486 . hn parsed_2l8b 1
47 . . . . . . . . . . . . . . . . 4.07 . . . . f200 488 . n f200 488 . hn parsed_2l8b 1
48 . . . . . . . . . . . . . . . . -14.83 . . . . f200 490 . n f200 490 . hn parsed_2l8b 1
49 . . . . . . . . . . . . . . . . -0.72 . . . . f200 494 . n f200 494 . hn parsed_2l8b 1
50 . . . . . . . . . . . . . . . . 3.52 . . . . f200 496 . n f200 496 . hn parsed_2l8b 1
51 . . . . . . . . . . . . . . . . 1.15 . . . . f200 497 . n f200 497 . hn parsed_2l8b 1
52 . . . . . . . . . . . . . . . . 0.61 . . . . f200 498 . n f200 498 . hn parsed_2l8b 1
53 . . . . . . . . . . . . . . . . -5.20 . . . . f200 500 . n f200 500 . hn parsed_2l8b 1
54 . . . . . . . . . . . . . . . . -12.04 . . . . f200 503 . n f200 503 . hn parsed_2l8b 1
55 . . . . . . . . . . . . . . . . -2.98 . . . . f200 504 . n f200 504 . hn parsed_2l8b 1
56 . . . . . . . . . . . . . . . . 12.77 . . . . f200 506 . n f200 506 . hn parsed_2l8b 1
57 . . . . . . . . . . . . . . . . -2.74 . . . . f200 510 . n f200 510 . hn parsed_2l8b 1
58 . . . . . . . . . . . . . . . . -16.72 . . . . f200 511 . n f200 511 . hn parsed_2l8b 1
59 . . . . . . . . . . . . . . . . -4.31 . . . . f200 513 . n f200 513 . hn parsed_2l8b 1
60 . . . . . . . . . . . . . . . . 5.59 . . . . f200 514 . n f200 514 . hn parsed_2l8b 1
61 . . . . . . . . . . . . . . . . 0.66 . . . . f200 518 . n f200 518 . hn parsed_2l8b 1
62 . . . . . . . . . . . . . . . . -1.34 . . . . f200 519 . n f200 519 . hn parsed_2l8b 1
63 . . . . . . . . . . . . . . . . 2.07 . . . . f200 521 . n f200 521 . hn parsed_2l8b 1
64 . . . . . . . . . . . . . . . . -1.1 . . . . f200 522 . n f200 522 . hn parsed_2l8b 1
65 . . . . . . . . . . . . . . . . 10.58 . . . . f200 524 . n f200 524 . hn parsed_2l8b 1
66 . . . . . . . . . . . . . . . . 4.38 . . . . f200 525 . n f200 525 . hn parsed_2l8b 1
67 . . . . . . . . . . . . . . . . -2.4 . . . . f200 526 . n f200 526 . hn parsed_2l8b 1
68 . . . . . . . . . . . . . . . . -13.8 . . . . f200 530 . n f200 530 . hn parsed_2l8b 1
69 . . . . . . . . . . . . . . . . 5.04 . . . . f200 531 . n f200 531 . hn parsed_2l8b 1
70 . . . . . . . . . . . . . . . . 7.91 . . . . f200 532 . n f200 532 . hn parsed_2l8b 1
71 . . . . . . . . . . . . . . . . 19.22 . . . . f200 533 . n f200 533 . hn parsed_2l8b 1
72 . . . . . . . . . . . . . . . . 18.71 . . . . f200 534 . n f200 534 . hn parsed_2l8b 1
73 . . . . . . . . . . . . . . . . 0.06 . . . . f200 536 . n f200 536 . hn parsed_2l8b 1
74 . . . . . . . . . . . . . . . . -5.96 . . . . f200 537 . n f200 537 . hn parsed_2l8b 1
75 . . . . . . . . . . . . . . . . -1.16 . . . . f200 538 . n f200 538 . hn parsed_2l8b 1
76 . . . . . . . . . . . . . . . . 6.87 . . . . f200 542 . n f200 542 . hn parsed_2l8b 1
77 . . . . . . . . . . . . . . . . 15.7 . . . . f200 546 . n f200 546 . hn parsed_2l8b 1
78 . . . . . . . . . . . . . . . . 17.75 . . . . f200 549 . n f200 549 . hn parsed_2l8b 1
79 . . . . . . . . . . . . . . . . 16.48 . . . . f200 550 . n f200 550 . hn parsed_2l8b 1
80 . . . . . . . . . . . . . . . . 18.79 . . . . f200 551 . n f200 551 . hn parsed_2l8b 1
81 . . . . . . . . . . . . . . . . 0.18 . . . . f200 552 . n f200 552 . hn parsed_2l8b 1
82 . . . . . . . . . . . . . . . . 12.77 . . . . f200 553 . n f200 553 . hn parsed_2l8b 1
83 . . . . . . . . . . . . . . . . 9.42 . . . . f200 554 . n f200 554 . hn parsed_2l8b 1
84 . . . . . . . . . . . . . . . . -5.78 . . . . f200 555 . n f200 555 . hn parsed_2l8b 1
85 . . . . . . . . . . . . . . . . 3.77 . . . . f200 556 . n f200 556 . hn parsed_2l8b 1
86 . . . . . . . . . . . . . . . . 15.4 . . . . f200 557 . n f200 557 . hn parsed_2l8b 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
;
on S100A1-RyR protein, collected 05/06/07 on 800MHz
+/- is from OMP and S100A1, which produced errors of roughly .4 Hz over several identical gels
processed under A1-RyR/RDC/stretch1
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 387 and name n and segid="f200")
( resid 387 and name hn and segid="f200") 19.76 0.4000
;
1 1 10 60 parsed_2l8b 1
2
;
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 395 and name n and segid="f200")
( resid 395 and name hn and segid="f200") -4.5 0.4000
;
19 1 19 1 parsed_2l8b 1
3
;
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 423 and name n and segid="f200")
( resid 423 and name hn and segid="f200") -6.3 0.4000
;
152 1 152 1 parsed_2l8b 1
4
;
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 425 and name n and segid="f200")
( resid 425 and name hn and segid="f200") 4.19 0.4000
;
166 1 166 1 parsed_2l8b 1
5
;
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 432 and name n and segid="f200")
( resid 432 and name hn and segid="f200") 11.72 0.4000
;
201 1 201 1 parsed_2l8b 1
6
;
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 436 and name n and segid="f200")
( resid 436 and name hn and segid="f200") 20.55 0.4000
;
222 1 222 1 parsed_2l8b 1
7
;
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 464 and name n and segid="f200")
( resid 464 and name hn and segid="f200") 12.46 0.4000
;
299 1 299 1 parsed_2l8b 1
8
;
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 479 and name n and segid="f200")
( resid 479 and name hn and segid="f200") -17.00 0.4000
;
348 1 348 1 parsed_2l8b 1
9
;
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 502 and name n and segid="f200")
( resid 502 and name hn and segid="f200") -11.73 0.4000
;
432 1 432 1 parsed_2l8b 1
10
;
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 516 and name n and segid="f200")
( resid 516 and name hn and segid="f200") 0.72 0.4000
;
488 1 488 1 parsed_2l8b 1
11
;
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 535 and name n and segid="f200")
( resid 535 and name hn and segid="f200") 18.36 0.4000
;
579 1 579 1 parsed_2l8b 1
12
;
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 547 and name n and segid="f200")
( resid 547 and name hn and segid="f200") 17.99 0.4000
;
621 1 621 1 parsed_2l8b 1
13
;
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 558 and name n and segid="f200")
( resid 558 and name hn and segid="f200") 5.59 0.4000
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 559 and name n and segid="f200")
( resid 559 and name hn and segid="f200") 9.42 0.4000
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 560 and name n and segid="f200")
( resid 560 and name hn and segid="f200") -4.62 0.4000
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 561 and name n and segid="f200")
( resid 561 and name hn and segid="f200") 5.77 0.4000
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 563 and name n and segid="f200")
( resid 563 and name hn and segid="f200") 7.29 0.4000
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 565 and name n and segid="f200")
( resid 565 and name hn and segid="f200") 2.67 0.4000
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 566 and name n and segid="f200")
( resid 566 and name hn and segid="f200") 1.39 0.4000
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 568 and name n and segid="f200")
( resid 568 and name hn and segid="f200") 2.73 0.4000
;
691 1 691 1 parsed_2l8b 1
stop_
save_
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