NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
586089 |
2mmu   |
19867 | cing | 2-parsed | STAR | dipolar coupling | 40 |
data_2mmu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mmu
_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_2mmu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mmu
_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 2mmu "Master copy" parsed_2mmu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mmu
_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 2mmu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mmu 1
1 2mmu.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 40 parsed_2mmu 1
1 2mmu.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mmu 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mmu
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . 16.1 . . . . . 31 . N . 31 . HN parsed_2mmu 1
2 . . . . . . . . . . . . . . . . 18.5 . . . . . 32 . N . 32 . HN parsed_2mmu 1
3 . . . . . . . . . . . . . . . . 15.7 . . . . . 33 . N . 33 . HN parsed_2mmu 1
4 . . . . . . . . . . . . . . . . 13.0 . . . . . 34 . N . 34 . HN parsed_2mmu 1
5 . . . . . . . . . . . . . . . . 18.1 . . . . . 35 . N . 35 . HN parsed_2mmu 1
6 . . . . . . . . . . . . . . . . 19.1 . . . . . 36 . N . 36 . HN parsed_2mmu 1
7 . . . . . . . . . . . . . . . . 13.9 . . . . . 37 . N . 37 . HN parsed_2mmu 1
8 . . . . . . . . . . . . . . . . 14.5 . . . . . 38 . N . 38 . HN parsed_2mmu 1
9 . . . . . . . . . . . . . . . . 19.3 . . . . . 39 . N . 39 . HN parsed_2mmu 1
10 . . . . . . . . . . . . . . . . 16.4 . . . . . 40 . N . 40 . HN parsed_2mmu 1
11 . . . . . . . . . . . . . . . . 15.8 . . . . . 41 . N . 41 . HN parsed_2mmu 1
12 . . . . . . . . . . . . . . . . 17.9 . . . . . 42 . N . 42 . HN parsed_2mmu 1
13 . . . . . . . . . . . . . . . . 19.8 . . . . . 43 . N . 43 . HN parsed_2mmu 1
14 . . . . . . . . . . . . . . . . 15.2 . . . . . 45 . N . 45 . HN parsed_2mmu 1
15 . . . . . . . . . . . . . . . . 18.0 . . . . . 46 . N . 46 . HN parsed_2mmu 1
16 . . . . . . . . . . . . . . . . 17.5 . . . . . 47 . N . 47 . HN parsed_2mmu 1
17 . . . . . . . . . . . . . . . . 14.2 . . . . . 48 . N . 48 . HN parsed_2mmu 1
18 . . . . . . . . . . . . . . . . 16.2 . . . . . 49 . N . 49 . HN parsed_2mmu 1
19 . . . . . . . . . . . . . . . . 12.8 . . . . . 50 . N . 50 . HN parsed_2mmu 1
20 . . . . . . . . . . . . . . . . 16.5 . . . . . 51 . N . 51 . HN parsed_2mmu 1
21 . . . . . . . . . . . . . . . . 13.3 . . . . . 53 . N . 53 . HN parsed_2mmu 1
22 . . . . . . . . . . . . . . . . 16.8 . . . . . 73 . N . 73 . HN parsed_2mmu 1
23 . . . . . . . . . . . . . . . . 19.1 . . . . . 74 . N . 74 . HN parsed_2mmu 1
24 . . . . . . . . . . . . . . . . 8.6 . . . . . 75 . N . 75 . HN parsed_2mmu 1
25 . . . . . . . . . . . . . . . . 15.6 . . . . . 76 . N . 76 . HN parsed_2mmu 1
26 . . . . . . . . . . . . . . . . 20.1 . . . . . 77 . N . 77 . HN parsed_2mmu 1
27 . . . . . . . . . . . . . . . . 17.5 . . . . . 78 . N . 78 . HN parsed_2mmu 1
28 . . . . . . . . . . . . . . . . 14.4 . . . . . 79 . N . 79 . HN parsed_2mmu 1
29 . . . . . . . . . . . . . . . . 17.4 . . . . . 80 . N . 80 . HN parsed_2mmu 1
30 . . . . . . . . . . . . . . . . 18.2 . . . . . 81 . N . 81 . HN parsed_2mmu 1
31 . . . . . . . . . . . . . . . . 15.6 . . . . . 82 . N . 82 . HN parsed_2mmu 1
32 . . . . . . . . . . . . . . . . 12.1 . . . . . 83 . N . 83 . HN parsed_2mmu 1
33 . . . . . . . . . . . . . . . . 18.3 . . . . . 84 . N . 84 . HN parsed_2mmu 1
34 . . . . . . . . . . . . . . . . 19.5 . . . . . 85 . N . 85 . HN parsed_2mmu 1
35 . . . . . . . . . . . . . . . . 13.2 . . . . . 86 . N . 86 . HN parsed_2mmu 1
36 . . . . . . . . . . . . . . . . 15.9 . . . . . 87 . N . 87 . HN parsed_2mmu 1
37 . . . . . . . . . . . . . . . . 17.1 . . . . . 88 . N . 88 . HN parsed_2mmu 1
38 . . . . . . . . . . . . . . . . 20.7 . . . . . 89 . N . 89 . HN parsed_2mmu 1
39 . . . . . . . . . . . . . . . . 17.6 . . . . . 90 . N . 90 . HN parsed_2mmu 1
40 . . . . . . . . . . . . . . . . 9.5 . . . . . 91 . N . 91 . HN parsed_2mmu 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 "! Val" 361 1 361 7 parsed_2mmu 1
2 "! Trp" 369 1 369 7 parsed_2mmu 1
3 "! Phe" 377 1 377 7 parsed_2mmu 1
4 "! Val" 385 1 385 7 parsed_2mmu 1
5 "! Ser" 393 1 393 7 parsed_2mmu 1
6 "! Leu" 401 1 401 7 parsed_2mmu 1
7 "! Phe" 409 1 409 7 parsed_2mmu 1
8 "! Ile" 417 1 417 7 parsed_2mmu 1
9 "! Gly" 425 1 425 7 parsed_2mmu 1
10 "! Leu" 433 1 433 7 parsed_2mmu 1
11 "! Met" 441 1 441 7 parsed_2mmu 1
12 "! Leu" 449 1 449 7 parsed_2mmu 1
13 "! Ile" 457 1 457 7 parsed_2mmu 1
14 "! Leu" 465 1 465 7 parsed_2mmu 1
15 "! Ile" 473 1 473 7 parsed_2mmu 1
16 "! Trp" 481 1 481 7 parsed_2mmu 1
17 "! Leu" 489 1 489 7 parsed_2mmu 1
18 "! Met" 497 1 497 7 parsed_2mmu 1
19 "! Val" 505 1 505 7 parsed_2mmu 1
20 "! Phe" 513 1 513 7 parsed_2mmu 1
21 "! Leu" 521 1 521 7 parsed_2mmu 1
22 "! Trp" 529 1 529 7 parsed_2mmu 1
23 "! Asn" 537 1 537 7 parsed_2mmu 1
24 "! Tyr" 545 1 545 7 parsed_2mmu 1
25 "! Ala" 553 1 553 7 parsed_2mmu 1
26 "! Ile" 561 1 561 7 parsed_2mmu 1
27 "! Ala" 569 1 569 7 parsed_2mmu 1
28 "! Phe" 577 1 577 7 parsed_2mmu 1
29 "! Ala" 585 1 585 7 parsed_2mmu 1
30 "! Phe" 593 1 593 7 parsed_2mmu 1
31 "! Met" 601 1 601 7 parsed_2mmu 1
32 "! Ile" 609 1 609 7 parsed_2mmu 1
33 "! Thr" 617 1 617 7 parsed_2mmu 1
34 "! Gly" 625 1 625 7 parsed_2mmu 1
35 "! Leu" 633 1 633 7 parsed_2mmu 1
36 "! Leu" 641 1 641 7 parsed_2mmu 1
37 "! Leu" 649 1 649 7 parsed_2mmu 1
38 "! Thr" 657 1 657 7 parsed_2mmu 1
39 "! Met" 665 1 665 7 parsed_2mmu 1
40 "! Arg" 673 1 673 7 parsed_2mmu 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 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 30 and name C )
(resid 31 and name N )
(resid 31 and name HN ) 99.2 1.0 1.0
;
2 1 8 46 parsed_2mmu 1
2
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 31 and name C )
(resid 32 and name N )
(resid 32 and name HN ) 88.2 1.0 1.0
;
11 1 17 46 parsed_2mmu 1
3
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 32 and name C )
(resid 33 and name N )
(resid 33 and name HN ) 81.4 1.0 1.0
;
20 1 26 46 parsed_2mmu 1
4
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 33 and name C )
(resid 34 and name N )
(resid 34 and name HN ) 89.4 1.0 1.0
;
29 1 35 46 parsed_2mmu 1
5
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 34 and name C )
(resid 35 and name N )
(resid 35 and name HN ) 105.4 1.0 1.0
;
38 1 44 47 parsed_2mmu 1
6
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 35 and name C )
(resid 36 and name N )
(resid 36 and name HN ) 84.8 1.0 1.0
;
47 1 53 46 parsed_2mmu 1
7
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 36 and name C )
(resid 37 and name N )
(resid 37 and name HN ) 87.3 1.0 1.0
;
56 1 62 46 parsed_2mmu 1
8
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 37 and name C )
(resid 38 and name N )
(resid 38 and name HN ) 99.9 1.0 1.0
;
65 1 71 46 parsed_2mmu 1
9
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 38 and name C )
(resid 39 and name N )
(resid 39 and name HN ) 98.3 1.0 1.0
;
74 1 80 46 parsed_2mmu 1
10
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 39 and name C )
(resid 40 and name N )
(resid 40 and name HN ) 76.2 1.0 1.0
;
83 1 89 46 parsed_2mmu 1
11
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 40 and name C )
(resid 41 and name N )
(resid 41 and name HN ) 80.8 1.0 1.0
;
92 1 98 46 parsed_2mmu 1
12
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 41 and name C )
(resid 42 and name N )
(resid 42 and name HN ) 103.9 1.0 1.0
;
101 1 107 47 parsed_2mmu 1
13
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 42 and name C )
(resid 43 and name N )
(resid 43 and name HN ) 86.5 1.0 1.0
;
110 1 116 46 parsed_2mmu 1
14
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 44 and name C )
(resid 45 and name N )
(resid 45 and name HN ) 102.5 1.0 1.0
;
119 1 125 47 parsed_2mmu 1
15
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 45 and name C )
(resid 46 and name N )
(resid 46 and name HN ) 103.2 1.0 1.0
;
128 1 134 47 parsed_2mmu 1
16
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 46 and name C )
(resid 47 and name N )
(resid 47 and name HN ) 66.5 1.0 1.0
;
137 1 143 46 parsed_2mmu 1
17
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 47 and name C )
(resid 48 and name N )
(resid 48 and name HN ) 93.7 1.0 1.0
;
146 1 152 46 parsed_2mmu 1
18
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 48 and name C )
(resid 49 and name N )
(resid 49 and name HN ) 100.4 1.0 1.0
;
155 1 161 47 parsed_2mmu 1
19
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 49 and name C )
(resid 50 and name N )
(resid 50 and name HN ) 49.2 1.0 1.0
;
164 1 170 46 parsed_2mmu 1
20
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 50 and name C )
(resid 51 and name N )
(resid 51 and name HN ) 103.0 1.0 1.0
;
173 1 179 47 parsed_2mmu 1
21
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 52 and name C )
(resid 53 and name N )
(resid 53 and name HN ) 52.2 1.0 1.0
;
182 1 188 46 parsed_2mmu 1
22
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 72 and name C )
(resid 73 and name N )
(resid 73 and name HN ) 102.5 1.0 1.0
;
191 1 197 47 parsed_2mmu 1
23
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 73 and name C )
(resid 74 and name N )
(resid 74 and name HN ) 86.8 1.0 1.0
;
200 1 206 46 parsed_2mmu 1
24
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 74 and name C )
(resid 75 and name N )
(resid 75 and name HN ) 67.6 1.0 1.0
;
209 1 215 46 parsed_2mmu 1
25
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 75 and name C )
(resid 76 and name N )
(resid 76 and name HN ) 98.8 1.0 1.0
;
218 1 224 46 parsed_2mmu 1
26
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 76 and name C )
(resid 77 and name N )
(resid 77 and name HN ) 102.7 1.0 1.0
;
227 1 233 47 parsed_2mmu 1
27
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 77 and name C )
(resid 78 and name N )
(resid 78 and name HN ) 78.7 1.0 1.0
;
236 1 242 46 parsed_2mmu 1
28
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 78 and name C )
(resid 79 and name N )
(resid 79 and name HN ) 97.0 1.0 1.0
;
245 1 251 46 parsed_2mmu 1
29
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 79 and name C )
(resid 80 and name N )
(resid 80 and name HN ) 106.4 1.0 1.0
;
254 1 260 47 parsed_2mmu 1
30
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 80 and name C )
(resid 81 and name N )
(resid 81 and name HN ) 87.9 1.0 1.0
;
263 1 269 46 parsed_2mmu 1
31
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 81 and name C )
(resid 82 and name N )
(resid 82 and name HN ) 71.6 1.0 1.0
;
272 1 278 46 parsed_2mmu 1
32
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 82 and name C )
(resid 83 and name N )
(resid 83 and name HN ) 96.0 1.0 1.0
;
281 1 287 46 parsed_2mmu 1
33
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 83 and name C )
(resid 84 and name N )
(resid 84 and name HN ) 100.9 1.0 1.0
;
290 1 296 47 parsed_2mmu 1
34
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 84 and name C )
(resid 85 and name N )
(resid 85 and name HN ) 81.2 1.0 1.0
;
299 1 305 46 parsed_2mmu 1
35
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 85 and name C )
(resid 86 and name N )
(resid 86 and name HN ) 81.7 1.0 1.0
;
308 1 314 46 parsed_2mmu 1
36
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 86 and name C )
(resid 87 and name N )
(resid 87 and name HN ) 108.3 1.0 1.0
;
317 1 323 47 parsed_2mmu 1
37
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 87 and name C )
(resid 88 and name N )
(resid 88 and name HN ) 97.0 1.0 1.0
;
326 1 332 46 parsed_2mmu 1
38
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 88 and name C )
(resid 89 and name N )
(resid 89 and name HN ) 93.7 1.0 1.0
;
335 1 341 46 parsed_2mmu 1
39
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 89 and name C )
(resid 90 and name N )
(resid 90 and name HN ) 85.3 1.0 1.0
;
344 1 350 46 parsed_2mmu 1
40
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 90 and name C )
(resid 91 and name N )
(resid 91 and name HN ) 55.2 1.0 1.0
;
353 1 359 46 parsed_2mmu 1
stop_
save_
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