NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type |
|
|
516879 |
2k39   |
cing | 2-parsed | STAR | dipolar coupling |
data_2k39_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k39
_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_2k39 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k39
_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 2k39 "Master copy" parsed_2k39
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k39
_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 2k39.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 11 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 12 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 13 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 14 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 15 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 16 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 17 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 18 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 19 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 20 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 21 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 22 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 23 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 24 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 25 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 26 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 27 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 28 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 29 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 30 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 31 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 32 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 33 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 34 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 35 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 36 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . XPLOR/CNS 37 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k39 1
1 2k39.mr . . unknown 38 unknown "Not applicable" "Not applicable" 0 parsed_2k39 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2k39
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 7
_RDC_constraint_list.Details "Generated by Wattos"
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 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 2 and name N and not segid REF )
( resid 2 and name H and not segid REF ) -8.4090 0.3000
;
3 1 8 66 parsed_2k39 1
2
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 3 and name N and not segid REF )
( resid 3 and name H and not segid REF ) 14.1300 0.3000
;
10 1 15 66 parsed_2k39 1
3
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 4 and name N and not segid REF )
( resid 4 and name H and not segid REF ) 10.2000 0.3000
;
17 1 22 66 parsed_2k39 1
4
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 5 and name N and not segid REF )
( resid 5 and name H and not segid REF ) 4.1300 0.3000
;
24 1 29 65 parsed_2k39 1
5
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 6 and name N and not segid REF )
( resid 6 and name H and not segid REF ) -9.7600 0.3000
;
31 1 36 66 parsed_2k39 1
6
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 7 and name N and not segid REF )
( resid 7 and name H and not segid REF ) -17.4820 0.3000
;
38 1 43 67 parsed_2k39 1
7
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 8 and name N and not segid REF )
( resid 8 and name H and not segid REF ) -6.8370 0.3000
;
45 1 50 66 parsed_2k39 1
8
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 11 and name N and not segid REF )
( resid 11 and name H and not segid REF ) -14.2100 0.3000
;
52 1 57 67 parsed_2k39 1
9
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 12 and name N and not segid REF )
( resid 12 and name H and not segid REF ) -17.6520 0.3000
;
59 1 64 67 parsed_2k39 1
10
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 13 and name N and not segid REF )
( resid 13 and name H and not segid REF ) 0.5750 0.3000
;
66 1 71 65 parsed_2k39 1
11
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 14 and name N and not segid REF )
( resid 14 and name H and not segid REF ) 1.5400 0.3000
;
73 1 78 65 parsed_2k39 1
12
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 16 and name N and not segid REF )
( resid 16 and name H and not segid REF ) 4.5080 0.3000
;
80 1 85 65 parsed_2k39 1
13
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 17 and name N and not segid REF )
( resid 17 and name H and not segid REF ) -3.1740 0.3000
;
87 1 92 66 parsed_2k39 1
14
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 18 and name N and not segid REF )
( resid 18 and name H and not segid REF ) -13.4710 0.3000
;
94 1 99 67 parsed_2k39 1
15
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 21 and name N and not segid REF )
( resid 21 and name H and not segid REF ) -16.2580 0.3000
;
101 1 106 67 parsed_2k39 1
16
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 25 and name N and not segid REF )
( resid 25 and name H and not segid REF ) -8.4110 0.3000
;
108 1 113 66 parsed_2k39 1
17
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 26 and name N and not segid REF )
( resid 26 and name H and not segid REF ) -7.8870 0.3000
;
115 1 120 66 parsed_2k39 1
18
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 27 and name N and not segid REF )
( resid 27 and name H and not segid REF ) -20.1230 0.3000
;
122 1 127 67 parsed_2k39 1
19
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 28 and name N and not segid REF )
( resid 28 and name H and not segid REF ) -14.7690 0.3000
;
129 1 134 67 parsed_2k39 1
20
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 29 and name N and not segid REF )
( resid 29 and name H and not segid REF ) -3.2490 0.3000
;
136 1 141 66 parsed_2k39 1
21
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 30 and name N and not segid REF )
( resid 30 and name H and not segid REF ) -15.9900 0.3000
;
143 1 148 67 parsed_2k39 1
22
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 31 and name N and not segid REF )
( resid 31 and name H and not segid REF ) -18.5490 0.3000
;
150 1 155 67 parsed_2k39 1
23
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 32 and name N and not segid REF )
( resid 32 and name H and not segid REF ) -12.9830 0.3000
;
157 1 162 67 parsed_2k39 1
24
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 33 and name N and not segid REF )
( resid 33 and name H and not segid REF ) -5.0930 0.3000
;
164 1 169 66 parsed_2k39 1
25
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 34 and name N and not segid REF )
( resid 34 and name H and not segid REF ) -18.8370 0.3000
;
171 1 176 67 parsed_2k39 1
26
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 35 and name N and not segid REF )
( resid 35 and name H and not segid REF ) 4.2130 0.3000
;
178 1 183 65 parsed_2k39 1
27
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 36 and name N and not segid REF )
( resid 36 and name H and not segid REF ) -10.5330 0.3000
;
185 1 190 67 parsed_2k39 1
28
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 39 and name N and not segid REF )
( resid 39 and name H and not segid REF ) 22.0900 0.3000
;
192 1 197 66 parsed_2k39 1
29
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 40 and name N and not segid REF )
( resid 40 and name H and not segid REF ) 19.6700 0.3000
;
199 1 204 66 parsed_2k39 1
30
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 41 and name N and not segid REF )
( resid 41 and name H and not segid REF ) 11.8800 0.3000
;
206 1 211 66 parsed_2k39 1
31
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 42 and name N and not segid REF )
( resid 42 and name H and not segid REF ) -18.8780 0.3000
;
213 1 218 67 parsed_2k39 1
32
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 45 and name N and not segid REF )
( resid 45 and name H and not segid REF ) -20.2960 0.3000
;
220 1 225 67 parsed_2k39 1
33
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 48 and name N and not segid REF )
( resid 48 and name H and not segid REF ) -5.5870 0.3000
;
227 1 232 66 parsed_2k39 1
34
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 49 and name N and not segid REF )
( resid 49 and name H and not segid REF ) 3.3820 0.3000
;
234 1 239 65 parsed_2k39 1
35
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 51 and name N and not segid REF )
( resid 51 and name H and not segid REF ) -3.8550 0.3000
;
241 1 246 66 parsed_2k39 1
36
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 52 and name N and not segid REF )
( resid 52 and name H and not segid REF ) 0.1950 0.3000
;
248 1 253 65 parsed_2k39 1
37
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 54 and name N and not segid REF )
( resid 54 and name H and not segid REF ) -5.3730 0.3000
;
255 1 260 66 parsed_2k39 1
38
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 55 and name N and not segid REF )
( resid 55 and name H and not segid REF ) -5.6750 0.3000
;
262 1 267 66 parsed_2k39 1
39
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 56 and name N and not segid REF )
( resid 56 and name H and not segid REF ) 30.3700 0.3000
;
269 1 274 66 parsed_2k39 1
40
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 57 and name N and not segid REF )
( resid 57 and name H and not segid REF ) 32.0800 0.3000
;
276 1 281 66 parsed_2k39 1
41
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 58 and name N and not segid REF )
( resid 58 and name H and not segid REF ) 15.6700 0.3000
;
283 1 288 66 parsed_2k39 1
42
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 59 and name N and not segid REF )
( resid 59 and name H and not segid REF ) 21.4700 0.3000
;
290 1 295 66 parsed_2k39 1
43
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 60 and name N and not segid REF )
( resid 60 and name H and not segid REF ) 7.3390 0.3000
;
297 1 302 65 parsed_2k39 1
44
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 61 and name N and not segid REF )
( resid 61 and name H and not segid REF ) -4.1550 0.3000
;
304 1 309 66 parsed_2k39 1
45
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 63 and name N and not segid REF )
( resid 63 and name H and not segid REF ) -4.9110 0.3000
;
311 1 316 66 parsed_2k39 1
46
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 64 and name N and not segid REF )
( resid 64 and name H and not segid REF ) 22.9900 0.3000
;
318 1 323 66 parsed_2k39 1
47
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 65 and name N and not segid REF )
( resid 65 and name H and not segid REF ) 11.3800 0.3000
;
325 1 330 66 parsed_2k39 1
48
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 66 and name N and not segid REF )
( resid 66 and name H and not segid REF ) 20.9600 0.3000
;
332 1 337 66 parsed_2k39 1
49
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 67 and name N and not segid REF )
( resid 67 and name H and not segid REF ) 12.8500 0.3000
;
339 1 344 66 parsed_2k39 1
50
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 68 and name N and not segid REF )
( resid 68 and name H and not segid REF ) -18.0760 0.3000
;
346 1 351 67 parsed_2k39 1
51
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 70 and name N and not segid REF )
( resid 70 and name H and not segid REF ) -12.0180 0.3000
;
353 1 358 67 parsed_2k39 1
52
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 71 and name N and not segid REF )
( resid 71 and name H and not segid REF ) 0.8700 0.3000
;
360 1 365 65 parsed_2k39 1
53
;
assign ( resid 506 and name OO )
( resid 506 and name Z )
( resid 506 and name X )
( resid 506 and name Y )
( resid 72 and name N and not segid REF )
( resid 72 and name H and not segid REF ) 24.9700 0.3000
;
367 1 372 66 parsed_2k39 1
stop_
save_
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