NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
533785 |
2ksj   |
cing | 2-parsed | STAR | dipolar coupling | 46 |
data_2ksj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ksj
_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_2ksj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ksj
_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 2ksj "Master copy" parsed_2ksj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ksj
_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 2ksj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ksj 1
1 2ksj.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 43 parsed_2ksj 1
1 2ksj.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 41 parsed_2ksj 1
1 2ksj.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 46 parsed_2ksj 1
1 2ksj.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2ksj 1
1 2ksj.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ksj 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2ksj
_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 . . . . . . . . . . . . . . . . -0.672 . . . . . 21 . N . 21 . HN parsed_2ksj 1
2 . . . . . . . . . . . . . . . . 1.165 . . . . . 22 . N . 22 . HN parsed_2ksj 1
3 . . . . . . . . . . . . . . . . -4.082 . . . . . 23 . N . 23 . HN parsed_2ksj 1
4 . . . . . . . . . . . . . . . . -4.947 . . . . . 24 . N . 24 . HN parsed_2ksj 1
5 . . . . . . . . . . . . . . . . -3.386 . . . . . 25 . N . 25 . HN parsed_2ksj 1
6 . . . . . . . . . . . . . . . . -3.652 . . . . . 26 . N . 26 . HN parsed_2ksj 1
7 . . . . . . . . . . . . . . . . -7.033 . . . . . 27 . N . 27 . HN parsed_2ksj 1
8 . . . . . . . . . . . . . . . . -4.947 . . . . . 28 . N . 28 . HN parsed_2ksj 1
9 . . . . . . . . . . . . . . . . -2.031 . . . . . 29 . N . 29 . HN parsed_2ksj 1
10 . . . . . . . . . . . . . . . . -5.188 . . . . . 30 . N . 30 . HN parsed_2ksj 1
11 . . . . . . . . . . . . . . . . -6.950 . . . . . 31 . N . 31 . HN parsed_2ksj 1
12 . . . . . . . . . . . . . . . . -3.386 . . . . . 32 . N . 32 . HN parsed_2ksj 1
13 . . . . . . . . . . . . . . . . -2.974 . . . . . 33 . N . 33 . HN parsed_2ksj 1
14 . . . . . . . . . . . . . . . . -6.727 . . . . . 34 . N . 34 . HN parsed_2ksj 1
15 . . . . . . . . . . . . . . . . -6.112 . . . . . 35 . N . 35 . HN parsed_2ksj 1
16 . . . . . . . . . . . . . . . . -3.257 . . . . . 36 . N . 36 . HN parsed_2ksj 1
17 . . . . . . . . . . . . . . . . -4.186 . . . . . 37 . N . 37 . HN parsed_2ksj 1
18 . . . . . . . . . . . . . . . . -7.648 . . . . . 38 . N . 38 . HN parsed_2ksj 1
19 . . . . . . . . . . . . . . . . -5.248 . . . . . 39 . N . 39 . HN parsed_2ksj 1
20 . . . . . . . . . . . . . . . . -3.607 . . . . . 40 . N . 40 . HN parsed_2ksj 1
21 . . . . . . . . . . . . . . . . -5.628 . . . . . 41 . N . 41 . HN parsed_2ksj 1
22 . . . . . . . . . . . . . . . . -7.136 . . . . . 42 . N . 42 . HN parsed_2ksj 1
23 . . . . . . . . . . . . . . . . -2.154 . . . . . 43 . N . 43 . HN parsed_2ksj 1
24 . . . . . . . . . . . . . . . . 0.704 . . . . . 21 . N . 21 . HN parsed_2ksj 1
25 . . . . . . . . . . . . . . . . 3.518 . . . . . 22 . N . 22 . HN parsed_2ksj 1
26 . . . . . . . . . . . . . . . . 8.369 . . . . . 23 . N . 23 . HN parsed_2ksj 1
27 . . . . . . . . . . . . . . . . 10.280 . . . . . 24 . N . 24 . HN parsed_2ksj 1
28 . . . . . . . . . . . . . . . . 7.753 . . . . . 25 . N . 25 . HN parsed_2ksj 1
29 . . . . . . . . . . . . . . . . 9.343 . . . . . 26 . N . 26 . HN parsed_2ksj 1
30 . . . . . . . . . . . . . . . . 13.992 . . . . . 27 . N . 27 . HN parsed_2ksj 1
31 . . . . . . . . . . . . . . . . 10.827 . . . . . 28 . N . 28 . HN parsed_2ksj 1
32 . . . . . . . . . . . . . . . . 4.981 . . . . . 29 . N . 29 . HN parsed_2ksj 1
33 . . . . . . . . . . . . . . . . 11.810 . . . . . 30 . N . 30 . HN parsed_2ksj 1
34 . . . . . . . . . . . . . . . . 13.949 . . . . . 31 . N . 31 . HN parsed_2ksj 1
35 . . . . . . . . . . . . . . . . 7.753 . . . . . 32 . N . 32 . HN parsed_2ksj 1
36 . . . . . . . . . . . . . . . . 7.136 . . . . . 33 . N . 33 . HN parsed_2ksj 1
37 . . . . . . . . . . . . . . . . 13.718 . . . . . 34 . N . 34 . HN parsed_2ksj 1
38 . . . . . . . . . . . . . . . . 12.285 . . . . . 35 . N . 35 . HN parsed_2ksj 1
39 . . . . . . . . . . . . . . . . 7.454 . . . . . 36 . N . 36 . HN parsed_2ksj 1
40 . . . . . . . . . . . . . . . . 9.652 . . . . . 37 . N . 37 . HN parsed_2ksj 1
41 . . . . . . . . . . . . . . . . 14.980 . . . . . 38 . N . 38 . HN parsed_2ksj 1
42 . . . . . . . . . . . . . . . . 10.857 . . . . . 39 . N . 39 . HN parsed_2ksj 1
43 . . . . . . . . . . . . . . . . 8.168 . . . . . 40 . N . 40 . HN parsed_2ksj 1
44 . . . . . . . . . . . . . . . . 11.800 . . . . . 41 . N . 41 . HN parsed_2ksj 1
45 . . . . . . . . . . . . . . . . 14.252 . . . . . 42 . N . 42 . HN parsed_2ksj 1
46 . . . . . . . . . . . . . . . . 4.759 . . . . . 43 . N . 43 . HN parsed_2ksj 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 "! 21 ALA" 1 1 1 11 parsed_2ksj 1
2 "( resid 22 and name HN ) -1.165 0.50 !-------REVISE FROM SPECTRA" 15 1 15 87 parsed_2ksj 1
3 "! 22 ILE" 9 1 9 11 parsed_2ksj 1
4 "! 23 GLY" 18 1 18 11 parsed_2ksj 1
5 "! 24 GLY" 25 1 25 11 parsed_2ksj 1
6 "! 25 TYR" 32 1 32 11 parsed_2ksj 1
7 "! 26 ILE" 39 1 39 11 parsed_2ksj 1
8 "! 27 VAL" 46 1 46 11 parsed_2ksj 1
9 "! 28 GLY" 53 1 53 11 parsed_2ksj 1
10 "! 29 ALA" 60 1 60 11 parsed_2ksj 1
11 "! 30 LEU" 67 1 67 11 parsed_2ksj 1
12 "! 31 VAL" 74 1 74 11 parsed_2ksj 1
13 "! 32 ILE" 81 1 81 11 parsed_2ksj 1
14 "! 33 LEU" 88 1 88 11 parsed_2ksj 1
15 "! 34 ALA" 95 1 95 11 parsed_2ksj 1
16 "! 35 VAL" 102 1 102 11 parsed_2ksj 1
17 "! 36 ALA" 109 1 109 11 parsed_2ksj 1
18 "! 37 GLY" 116 1 116 11 parsed_2ksj 1
19 "! 38 LEU" 123 1 123 11 parsed_2ksj 1
20 "! 39 ILE" 130 1 130 11 parsed_2ksj 1
21 "! 40 TYR" 137 1 137 11 parsed_2ksj 1
22 "! 41 SER" 144 1 144 11 parsed_2ksj 1
23 "! 42 MET" 151 1 151 11 parsed_2ksj 1
24 "! 43 LEU" 158 1 158 11 parsed_2ksj 1
25
;
!------------ NH dipolar couplings for Pf1 in flipped bicelles
! 21 ALA
;
164 58 166 11 parsed_2ksj 1
26 "! 22 ILE" 173 1 173 11 parsed_2ksj 1
27 "! 23 GLY" 180 1 180 11 parsed_2ksj 1
28 "! 24 GLY" 187 1 187 11 parsed_2ksj 1
29 "! 25 TYR" 194 1 194 11 parsed_2ksj 1
30 "! 26 ILE" 201 1 201 11 parsed_2ksj 1
31 "! 27 VAL" 208 1 208 11 parsed_2ksj 1
32 "! 28 GLY" 215 1 215 11 parsed_2ksj 1
33 "! 29 ALA" 222 1 222 11 parsed_2ksj 1
34 "! 30 LEU" 229 1 229 11 parsed_2ksj 1
35 "! 31 VAL" 236 1 236 11 parsed_2ksj 1
36 "! 32 ILE" 243 1 243 11 parsed_2ksj 1
37 "! 33 LEU" 250 1 250 11 parsed_2ksj 1
38 "! 34 ALA" 257 1 257 11 parsed_2ksj 1
39 "! 35 VAL" 264 1 264 11 parsed_2ksj 1
40 "! 36 ALA" 271 1 271 11 parsed_2ksj 1
41 "! 37 GLY" 278 1 278 11 parsed_2ksj 1
42 "! 38 LEU" 285 1 285 11 parsed_2ksj 1
43 "! 39 ILE" 292 1 292 11 parsed_2ksj 1
44 "! 40 TYR" 299 1 299 11 parsed_2ksj 1
45 "! 41 SER" 306 1 306 11 parsed_2ksj 1
46 "! 42 MET" 313 1 313 11 parsed_2ksj 1
47 "! 43 LEU" 320 1 320 11 parsed_2ksj 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
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 20 and name C )
( resid 21 and name N )
( resid 21 and name HN ) 8.630 1.0 1.0
;
331 1 337 67 parsed_2ksj 1
2
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 21 and name C )
( resid 22 and name N )
( resid 22 and name HN ) -6.847 1.0 1.0
;
339 1 345 67 parsed_2ksj 1
3
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 22 and name C )
( resid 23 and name N )
( resid 23 and name HN ) -19.674 1.0 1.0
;
347 1 353 67 parsed_2ksj 1
4
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 23 and name C )
( resid 24 and name N )
( resid 24 and name HN ) -3.869 1.0 1.0
;
355 1 361 67 parsed_2ksj 1
5
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 24 and name C )
( resid 25 and name N )
( resid 25 and name HN ) -12.867 1.0 1.0
;
363 1 369 67 parsed_2ksj 1
6
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 25 and name C )
( resid 26 and name N )
( resid 26 and name HN ) -32.785 1.0 1.0
;
371 1 377 67 parsed_2ksj 1
7
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 26 and name C )
( resid 27 and name N )
( resid 27 and name HN ) -25.058 1.0 1.0
;
379 1 385 67 parsed_2ksj 1
8
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 27 and name C )
( resid 28 and name N )
( resid 28 and name HN ) -3.869 1.0 1.0
;
387 1 393 67 parsed_2ksj 1
9
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 28 and name C )
( resid 29 and name N )
( resid 29 and name HN ) -17.552 1.0 1.0
;
395 1 401 67 parsed_2ksj 1
10
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 29 and name C )
( resid 30 and name N )
( resid 30 and name HN ) -35.615 1.0 1.0
;
403 1 409 67 parsed_2ksj 1
11
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 30 and name C )
( resid 31 and name N )
( resid 31 and name HN ) -15.847 1.0 1.0
;
411 1 417 67 parsed_2ksj 1
12
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 31 and name C )
( resid 32 and name N )
( resid 32 and name HN ) -12.867 1.0 1.0
;
419 1 425 67 parsed_2ksj 1
13
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 32 and name C )
( resid 33 and name N )
( resid 33 and name HN ) -30.428 1.0 1.0
;
427 1 433 67 parsed_2ksj 1
14
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 33 and name C )
( resid 34 and name N )
( resid 34 and name HN ) -31.610 1.0 1.0
;
435 1 441 67 parsed_2ksj 1
15
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 34 and name C )
( resid 35 and name N )
( resid 35 and name HN ) -13.169 1.0 1.0
;
443 1 449 67 parsed_2ksj 1
16
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 35 and name C )
( resid 36 and name N )
( resid 36 and name HN ) -17.154 1.0 1.0
;
451 1 457 67 parsed_2ksj 1
17
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 36 and name C )
( resid 37 and name N )
( resid 37 and name HN ) -36.538 1.0 1.0
;
459 1 465 67 parsed_2ksj 1
18
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 37 and name C )
( resid 38 and name N )
( resid 38 and name HN ) -24.267 1.0 1.0
;
467 1 473 67 parsed_2ksj 1
19
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 38 and name C )
( resid 39 and name N )
( resid 39 and name HN ) -12.531 1.0 1.0
;
475 1 481 67 parsed_2ksj 1
20
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 39 and name C )
( resid 40 and name N )
( resid 40 and name HN ) -27.760 1.0 1.0
;
483 1 489 67 parsed_2ksj 1
21
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 40 and name C )
( resid 41 and name N )
( resid 41 and name HN ) -43.331 1.0 1.0
;
491 1 497 67 parsed_2ksj 1
22
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 41 and name C )
( resid 42 and name N )
( resid 42 and name HN ) -20.603 1.0 1.0
;
499 1 505 67 parsed_2ksj 1
23
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 42 and name C )
( resid 43 and name N )
( resid 43 and name HN ) -6.441 1.0 1.0!!------------ N chemical shift anisotropies for Pf1 in bilayers oriented on glass
;
507 1 513 67 parsed_2ksj 1
24
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 4 and name C )
( resid 5 and name N )
( resid 5 and name HN ) -13.30 1.0 1.0
;
518 1 524 60 parsed_2ksj 1
25
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 11 and name C )
( resid 12 and name N )
( resid 12 and name HN ) -27.30 1.0 1.0
;
526 1 532 60 parsed_2ksj 1
26
;
assign ( resid 810 and name OO )
( resid 810 and name Z )
( resid 810 and name X )
( resid 810 and name Y )
( resid 12 and name C )
( resid 13 and name N )
( resid 13 and name HN ) -44.30 1.0 1.0
;
534 1 540 60 parsed_2ksj 1
stop_
save_
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