NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
510987 |
2lae   |
17521 | cing | 1-original | 1 | STAR | distance | NOE | simple |
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
loop_
_Homonucl_NOE.ID
_Homonucl_NOE.Atom_ID_1
_Homonucl_NOE.Atom_type_1
_Homonucl_NOE.Atom_ID_2
_Homonucl_NOE.Atom_type_2
_Homonucl_NOE.Val
1 121 QG1 134 HA 6.0
2 121 QG1 131 QD1 6.0
3 121 QG1 131 QG2 6.0
4 121 QG1 134 HD2 6.0
5 121 QG2 134 HD2 6.0
6 140 HA 165 H 6.0
7 140 HB 164 HA 6.0
8 121 QG1 141 QD1 6.0
9 121 QG2 141 QD1 6.0
10 121 QG1 141 QD2 6.0
11 146 QG1 213 QB 6.0
12 146 QG2 213 QB 6.0
13 140 HA 164 HA 6.0
14 140 HA 164 HB2 6.0
15 140 HA 164 HB3 6.0
16 140 QG2 164 HB2 6.0
17 140 QG2 164 HB3 6.0
18 141 H 164 HB2 6.0
19 165 QG1 174 QG1 6.0
20 165 HA 174 HA 6.0
21 165 QG1 174 HA 6.0
22 165 HA 174 QG1 6.0
23 163 HA 176 HA 6.0
24 162 H 178 HA 6.0
25 178 QD1 197 HB3 6.0
26 162 H 179 QD2 6.0
27 120 H 209 QD1 6.0
28 262 HA 283 QD2 6.0
29 262 QG1 283 QD1 6.0
30 262 QG2 283 QD1 6.0
31 263 HA2 283 QD2 6.0
32 263 HA3 283 QD2 6.0
33 278 QG2 305 QD1 6.0
34 278 QG1 305 QD2 6.0
35 278 QG2 305 QD2 6.0
36 262 HA 283 QD1 6.0
37 263 HA2 283 QD1 6.0
38 263 HA3 283 QD1 6.0
39 283 QD1 288 HA 6.0
40 283 QD2 288 HA 6.0
41 280 H 302 HA 6.0
42 309 HA 314 HA 6.0
43 310 QD1 315 HA 6.0
44 310 HG 315 HA 6.0
45 305 QD2 316 HA 6.0
46 305 QD2 316 HB2 6.0
47 305 QD2 316 HB3 6.0
48 305 QD2 316 QD2 6.0
49 305 QD2 316 HG 6.0
50 305 QD2 318 HA 6.0
51 102 H 178 H 6.0
52 117 HE1 135 H 6.0
53 117 HE1 137 H 6.0
54 117 HE1 139 H 6.0
55 117 HE1 140 H 6.0
56 130 H 146 QG1 6.0
57 141 H 162 HA 6.0
58 141 H 162 HG2 6.0
59 141 H 164 HA 6.0
60 132 H 142 H 6.0
61 132 H 143 H 6.0
62 133 H 143 H 6.0
63 130 H 144 H 6.0
64 132 H 144 H 6.0
65 133 H 144 H 6.0
66 130 H 145 H 6.0
67 146 H 159 H 6.0
68 146 HA 159 H 6.0
69 146 HB 159 H 6.0
70 146 QG1 159 H 6.0
71 146 QG2 159 H 6.0
72 147 H 159 H 6.0
73 143 H 160 H 6.0
74 146 H 160 H 6.0
75 143 H 161 H 6.0
76 161 H 179 H 6.0
77 141 H 165 H 6.0
78 166 H 175 H 6.0
79 168 H 173 H 6.0
80 166 H 173 H 6.0
81 165 HA 174 H 6.0
82 164 HB2 175 H 6.0
83 164 HB3 175 H 6.0
84 162 H 177 H 6.0
85 103 H 178 H 6.0
86 104 H 178 H 6.0
87 160 H 179 H 6.0
88 162 H 179 H 6.0
89 160 H 180 H 6.0
90 162 H 180 H 6.0
91 160 H 181 H 6.0
92 158 H 182 H 6.0
93 182 H 188 H 6.0
94 183 H 188 H 6.0
95 230 H 244 QG1 6.0
96 230 H 244 QG2 6.0
97 232 H 243 H 6.0
98 234 H 241 H 6.0
99 235 H 241 H 6.0
100 231 H 243 H 6.0
101 233 H 243 H 6.0
102 229 H 245 H 6.0
103 245 H 255 HB2 6.0
104 261 H 283 QD2 6.0
105 262 H 283 QD1 6.0
106 262 H 283 QD2 6.0
107 263 H 283 QD1 6.0
108 265 H 280 H 6.0
109 267 H 277 H 6.0
110 270 H 275 H 6.0
111 276 H 305 QD2 6.0
112 268 H 277 H 6.0
113 269 H 277 H 6.0
114 270 H 277 H 6.0
115 265 H 279 H 6.0
116 266 H 279 H 6.0
117 268 H 279 H 6.0
118 265 H 281 H 6.0
119 283 H 288 H 6.0
120 283 HB2 288 H 6.0
121 283 HB3 288 H 6.0
122 283 QD1 288 H 6.0
123 283 QD2 288 H 6.0
124 283 HG 288 H 6.0
125 283 H 288 HE1 6.0
126 283 HB2 288 HE1 6.0
127 283 HB3 288 HE1 6.0
128 283 QD1 288 HE1 6.0
129 283 QD2 288 HE1 6.0
130 283 HG 288 HE1 6.0
131 283 QD1 289 H 6.0
132 283 QD1 291 H 6.0
133 283 QD1 292 H 6.0
134 280 H 301 H 6.0
135 280 H 302 H 6.0
136 278 H 303 H 6.0
137 279 H 303 H 6.0
138 279 HA 303 H 6.0
139 280 H 303 H 6.0
140 274 H 307 H 6.0
141 275 H 307 H 6.0
142 276 H 307 H 6.0
143 310 H 315 H 6.0
144 305 QD2 316 H 6.0
145 305 QD2 317 H 6.0
146 305 QD2 318 H 6.0
147 305 QD2 319 H 6.0
148 320 H 325 H 6.0
149 298 QD1 330 H 6.0
stop_
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