NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type |
|
|
36630 |
1ny9   |
5706 | cing | recoord | 2-parsed | STAR | dipolar coupling |
data_1ny9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ny9
_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_1ny9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ny9
_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 1ny9 "Master copy" parsed_1ny9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ny9
_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 1ny9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ny9 1
1 1ny9.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 74 parsed_1ny9 1
1 1ny9.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1ny9 1
1 1ny9.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1ny9 1
1 1ny9.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1ny9 1
1 1ny9.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1ny9 1
1 1ny9.mr . . XPLOR/CNS 7 distance NOE simple 0 parsed_1ny9 1
1 1ny9.mr . . XPLOR/CNS 8 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1ny9 1
1 1ny9.mr . . XPLOR/CNS 9 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1ny9 1
1 1ny9.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ny9 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1ny9
_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_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 164 and name N )
( resid 164 and name HN ) -0.8 1.0
;
2 2 3 48 parsed_1ny9 1
2
;
assign ( resid 165 and name N )
( resid 165 and name HN ) 3.8 1.0
;
5 2 6 48 parsed_1ny9 1
3
;
assign ( resid 166 and name N )
( resid 166 and name HN ) 4.2 1.0
;
8 2 9 48 parsed_1ny9 1
4
;
assign ( resid 167 and name N )
( resid 167 and name HN ) 7.5 1.0
;
11 2 12 48 parsed_1ny9 1
5
;
assign ( resid 168 and name N )
( resid 168 and name HN ) 5.5 1.0
;
14 2 15 48 parsed_1ny9 1
6
;
assign ( resid 169 and name N )
( resid 169 and name HN ) -1.0 1.0
;
17 2 18 48 parsed_1ny9 1
7
;
assign ( resid 170 and name N )
( resid 170 and name HN ) 5.9 1.0
;
20 2 21 48 parsed_1ny9 1
8
;
assign ( resid 172 and name N )
( resid 172 and name HN ) 3.5 1.0
;
23 2 24 48 parsed_1ny9 1
9
;
assign ( resid 174 and name N )
( resid 174 and name HN ) 6.4 1.0
;
26 2 27 48 parsed_1ny9 1
10
;
assign ( resid 175 and name N )
( resid 175 and name HN ) 4.8 1.0
;
29 2 30 48 parsed_1ny9 1
11
;
assign ( resid 176 and name N )
( resid 176 and name HN ) 1.0 1.0
;
32 2 33 48 parsed_1ny9 1
12
;
assign ( resid 177 and name N )
( resid 177 and name HN ) 3.4 1.0
;
35 2 36 48 parsed_1ny9 1
13
;
assign ( resid 178 and name N )
( resid 178 and name HN ) 6.3 1.0
;
38 2 39 48 parsed_1ny9 1
14
;
assign ( resid 179 and name N )
( resid 179 and name HN ) 3.4 1.0
;
41 2 42 48 parsed_1ny9 1
15
;
assign ( resid 180 and name N )
( resid 180 and name HN ) -0.3 1.0
;
44 2 45 48 parsed_1ny9 1
16
;
assign ( resid 181 and name N )
( resid 181 and name HN ) 7.0 1.0
;
47 2 48 48 parsed_1ny9 1
17
;
assign ( resid 182 and name N )
( resid 182 and name HN ) 6.7 1.0
;
50 2 51 48 parsed_1ny9 1
18
;
assign ( resid 184 and name N )
( resid 184 and name HN ) -5.0 1.0
;
53 2 54 48 parsed_1ny9 1
19
;
assign ( resid 185 and name N )
( resid 185 and name HN ) -1.2 1.0
;
56 2 57 48 parsed_1ny9 1
20
;
assign ( resid 186 and name N )
( resid 186 and name HN ) 0.8 1.0
;
59 2 60 48 parsed_1ny9 1
21
;
assign ( resid 187 and name N )
( resid 187 and name HN ) 5.9 1.0
;
62 2 63 48 parsed_1ny9 1
22
;
assign ( resid 188 and name N )
( resid 188 and name HN ) 3.2 1.0
;
65 2 66 48 parsed_1ny9 1
23
;
assign ( resid 189 and name N )
( resid 189 and name HN ) 6.3 1.0
;
68 2 69 48 parsed_1ny9 1
24
;
assign ( resid 190 and name N )
( resid 190 and name HN ) 6.7 1.0
;
71 2 72 48 parsed_1ny9 1
25
;
assign ( resid 191 and name N )
( resid 191 and name HN ) 2.6 1.0
;
74 2 75 48 parsed_1ny9 1
26
;
assign ( resid 192 and name N )
( resid 192 and name HN ) 1.9 1.0
;
77 2 78 48 parsed_1ny9 1
27
;
assign ( resid 193 and name N )
( resid 193 and name HN ) 6.0 1.0
;
80 2 81 48 parsed_1ny9 1
28
;
assign ( resid 194 and name N )
( resid 194 and name HN ) 5.2 1.0
;
83 2 84 48 parsed_1ny9 1
29
;
assign ( resid 195 and name N )
( resid 195 and name HN ) 2.7 1.0
;
86 2 87 48 parsed_1ny9 1
30
;
assign ( resid 196 and name N )
( resid 196 and name HN ) 5.3 1.0
;
89 2 90 48 parsed_1ny9 1
31
;
assign ( resid 197 and name N )
( resid 197 and name HN ) 6.8 1.0
;
92 2 93 48 parsed_1ny9 1
32
;
assign ( resid 198 and name N )
( resid 198 and name HN ) 3.9 1.0
;
95 2 96 48 parsed_1ny9 1
33
;
assign ( resid 199 and name N )
( resid 199 and name HN ) 2.1 1.0
;
98 2 99 48 parsed_1ny9 1
34
;
assign ( resid 200 and name N )
( resid 200 and name HN ) 6.3 1.0
;
101 2 102 48 parsed_1ny9 1
35
;
assign ( resid 201 and name N )
( resid 201 and name HN ) 6.1 1.0
;
104 2 105 48 parsed_1ny9 1
36
;
assign ( resid 202 and name N )
( resid 202 and name HN ) 1.3 1.0
;
107 2 108 48 parsed_1ny9 1
37
;
assign ( resid 208 and name N )
( resid 208 and name HN ) 0.6 1.0
;
110 2 111 48 parsed_1ny9 1
38
;
assign ( resid 209 and name N )
( resid 209 and name HN ) -2.6 1.0
;
113 2 114 48 parsed_1ny9 1
39
;
assign ( resid 210 and name N )
( resid 210 and name HN ) -5.8 1.0
;
116 2 117 48 parsed_1ny9 1
40
;
assign ( resid 212 and name N )
( resid 212 and name HN ) -1.7 1.0
;
119 2 120 48 parsed_1ny9 1
41
;
assign ( resid 213 and name N )
( resid 213 and name HN ) -4.3 1.0
;
122 2 123 48 parsed_1ny9 1
42
;
assign ( resid 214 and name N )
( resid 214 and name HN ) -5.6 1.0
;
125 2 126 48 parsed_1ny9 1
43
;
assign ( resid 215 and name N )
( resid 215 and name HN ) -3.6 1.0
;
128 2 129 48 parsed_1ny9 1
44
;
assign ( resid 216 and name N )
( resid 216 and name HN ) -3.6 1.0
;
131 2 132 48 parsed_1ny9 1
45
;
assign ( resid 217 and name N )
( resid 217 and name HN ) -4.7 1.0
;
134 2 135 48 parsed_1ny9 1
46
;
assign ( resid 218 and name N )
( resid 218 and name HN ) -4.8 1.0
;
137 2 138 48 parsed_1ny9 1
47
;
assign ( resid 219 and name N )
( resid 219 and name HN ) -3.0 1.0
;
140 2 141 48 parsed_1ny9 1
48
;
assign ( resid 220 and name N )
( resid 220 and name HN ) -2.5 1.0
;
143 2 144 48 parsed_1ny9 1
49
;
assign ( resid 221 and name N )
( resid 221 and name HN ) -4.6 1.0
;
146 2 147 48 parsed_1ny9 1
50
;
assign ( resid 222 and name N )
( resid 222 and name HN ) 0.1 1.0
;
149 2 150 48 parsed_1ny9 1
51
;
assign ( resid 223 and name N )
( resid 223 and name HN ) -3.0 1.0
;
152 2 153 48 parsed_1ny9 1
52
;
assign ( resid 224 and name N )
( resid 224 and name HN ) -1.7 1.0
;
155 2 156 48 parsed_1ny9 1
53
;
assign ( resid 225 and name N )
( resid 225 and name HN ) -1.9 1.0
;
158 2 159 48 parsed_1ny9 1
54
;
assign ( resid 226 and name N )
( resid 226 and name HN ) -2.2 1.0
;
161 2 162 48 parsed_1ny9 1
55
;
assign ( resid 227 and name N )
( resid 227 and name HN ) -1.2 1.0
;
164 2 165 48 parsed_1ny9 1
56
;
assign ( resid 228 and name N )
( resid 228 and name HN ) -2.0 1.0
;
167 2 168 48 parsed_1ny9 1
57
;
assign ( resid 230 and name N )
( resid 230 and name HN ) -2.0 1.0
;
170 2 171 48 parsed_1ny9 1
58
;
assign ( resid 231 and name N )
( resid 231 and name HN ) -1.5 1.0
;
173 2 174 48 parsed_1ny9 1
59
;
assign ( resid 232 and name N )
( resid 232 and name HN ) -2.9 1.0
;
176 2 177 48 parsed_1ny9 1
60
;
assign ( resid 233 and name N )
( resid 233 and name HN ) -1.2 1.0
;
179 2 180 48 parsed_1ny9 1
61
;
assign ( resid 235 and name N )
( resid 235 and name HN ) 4.0 1.0
;
182 2 183 48 parsed_1ny9 1
62
;
assign ( resid 237 and name N )
( resid 237 and name HN ) -1.5 1.0
;
185 2 186 48 parsed_1ny9 1
63
;
assign ( resid 238 and name N )
( resid 238 and name HN ) -3.0 1.0
;
188 2 189 48 parsed_1ny9 1
64
;
assign ( resid 239 and name N )
( resid 239 and name HN ) 0.5 1.0
;
191 2 192 48 parsed_1ny9 1
65
;
assign ( resid 240 and name N )
( resid 240 and name HN ) 0.2 1.0
;
194 2 195 48 parsed_1ny9 1
66
;
assign ( resid 241 and name N )
( resid 241 and name HN ) -3.1 1.0
;
197 2 198 48 parsed_1ny9 1
67
;
assign ( resid 242 and name N )
( resid 242 and name HN ) -2.5 1.0
;
200 2 201 48 parsed_1ny9 1
68
;
assign ( resid 243 and name N )
( resid 243 and name HN ) 1.1 1.0
;
203 2 204 48 parsed_1ny9 1
69
;
assign ( resid 244 and name N )
( resid 244 and name HN ) -2.3 1.0
;
206 2 207 48 parsed_1ny9 1
70
;
assign ( resid 245 and name N )
( resid 245 and name HN ) -4.5 1.0
;
209 2 210 48 parsed_1ny9 1
71
;
assign ( resid 246 and name N )
( resid 246 and name HN ) -2.1 1.0
;
212 2 213 48 parsed_1ny9 1
72
;
assign ( resid 247 and name N )
( resid 247 and name HN ) 1.0 1.0
;
215 2 216 48 parsed_1ny9 1
73
;
assign ( resid 248 and name N )
( resid 248 and name HN ) -3.4 1.0
;
218 2 219 48 parsed_1ny9 1
74
;
assign ( resid 249 and name N )
( resid 249 and name HN ) -4.7 1.0
;
221 2 222 48 parsed_1ny9 1
75
;
assign ( resid 250 and name N )
( resid 250 and name HN ) -0.3 1.0
;
224 2 225 48 parsed_1ny9 1
76
;
assign ( resid 251 and name N )
( resid 251 and name HN ) -1.7 1.0
;
227 2 228 48 parsed_1ny9 1
77
;
assign ( resid 252 and name N )
( resid 252 and name HN ) -1.8 1.0
;
230 2 231 48 parsed_1ny9 1
stop_
save_
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