Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
570829 | 2m97 RC | 19285 | cing | 1-original | 1 | STAR | chemical shift |
# tsChemicalShifts_constraints.STR
###################################################################
# 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_
_Atom_chem_shift.ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Ambiguity_code
1 1 SER C C 175.068 0.2 1
2 1 SER CA C 58.528 0.2 1
3 1 SER CB C 64.249 0.2 1
4 1 SER H H 8.747 0.010 1
5 1 SER N N 118.618 0.1 1
6 2 GLU C C 178.560 0.2 1
7 2 GLU CA C 59.898 0.2 1
8 2 GLU CB C 29.215 0.2 1
9 2 GLU H H 8.881 0.010 1
10 2 GLU HA H 4.059 0.010 1
11 2 GLU N N 122.304 0.1 1
12 3 GLU C C 179.048 0.2 1
13 3 GLU CA C 59.270 0.2 1
14 3 GLU CB C 29.343 0.2 1
15 3 GLU H H 8.528 0.010 1
16 3 GLU HA H 4.155 0.010 1
17 3 GLU N N 120.033 0.1 1
18 4 GLU C C 179.840 0.2 1
19 4 GLU CA C 58.953 0.2 1
20 4 GLU CB C 29.586 0.2 1
21 4 GLU H H 8.101 0.010 1
22 4 GLU HA H 4.176 0.010 1
23 4 GLU N N 120.958 0.1 1
24 5 LEU C C 179.432 0.2 1
25 5 LEU CA C 57.940 0.2 1
26 5 LEU CB C 41.647 0.2 1
27 5 LEU H H 8.570 0.010 1
28 5 LEU HA H 4.395 0.010 1
29 5 LEU N N 120.900 0.1 1
30 6 SER C C 176.745 0.2 1
31 6 SER CA C 61.992 0.2 1
32 6 SER CB C 62.341 0.2 1
33 6 SER H H 8.604 0.010 1
34 6 SER HA H 4.261 0.010 1
35 6 SER N N 116.354 0.1 1
36 7 GLU C C 178.189 0.2 1
37 7 GLU CA C 58.831 0.2 1
38 7 GLU CB C 28.965 0.2 1
39 7 GLU H H 7.720 0.010 1
40 7 GLU HA H 4.190 0.010 1
41 7 GLU N N 122.072 0.1 1
42 8 CYS C C 175.681 0.2 1
43 8 CYS CA C 62.437 0.2 1
44 8 CYS CB C 26.416 0.2 1
45 8 CYS H H 8.019 0.010 1
46 8 CYS HA H 4.053 0.010 1
47 8 CYS N N 117.904 0.1 1
48 9 PHE C C 175.681 0.2 1
49 9 PHE CA C 62.181 0.2 1
50 9 PHE CB C 39.277 0.2 1
51 9 PHE H H 8.427 0.010 1
52 9 PHE HA H 3.351 0.010 1
53 9 PHE N N 119.590 0.1 1
54 10 ARG C C 178.486 0.2 1
55 10 ARG CA C 58.967 0.2 1
56 10 ARG CB C 29.948 0.2 1
57 10 ARG H H 7.558 0.010 1
58 10 ARG HA H 3.953 0.010 1
59 10 ARG N N 114.910 0.1 1
60 11 ILE C C 178.112 0.2 1
61 11 ILE CA C 63.622 0.2 1
62 11 ILE CB C 37.340 0.2 1
63 11 ILE H H 7.592 0.010 1
64 11 ILE HA H 3.582 0.010 1
65 11 ILE N N 118.349 0.1 1
66 12 PHE C C 176.714 0.2 1
67 12 PHE CA C 58.669 0.2 1
68 12 PHE CB C 39.165 0.2 1
69 12 PHE H H 7.554 0.010 1
70 12 PHE HA H 4.477 0.010 1
71 12 PHE N N 116.960 0.1 1
72 13 ASP C C 176.772 0.2 1
73 13 ASP CA C 52.106 0.2 1
74 13 ASP CB C 37.794 0.2 1
75 13 ASP H H 7.725 0.010 1
76 13 ASP HA H 4.474 0.010 1
77 13 ASP N N 119.667 0.1 1
78 14 LYS C C 178.180 0.2 1
79 14 LYS CA C 59.277 0.2 1
80 14 LYS CB C 32.988 0.2 1
81 14 LYS H H 7.577 0.010 1
82 14 LYS HA H 3.933 0.010 1
83 14 LYS N N 125.111 0.1 1
84 15 ASP C C 177.680 0.2 1
85 15 ASP CA C 52.565 0.2 1
86 15 ASP CB C 39.322 0.2 1
87 15 ASP H H 8.032 0.010 1
88 15 ASP HA H 4.588 0.010 1
89 15 ASP N N 114.010 0.1 1
96 17 ASN C C 176.026 0.2 1
97 17 ASN CA C 52.265 0.2 1
98 17 ASN CB C 37.340 0.2 1
99 17 ASN H H 8.118 0.010 1
100 17 ASN HA H 4.600 0.010 1
101 17 ASN N N 118.569 0.1 1
102 18 GLY C C 172.479 0.2 1
103 18 GLY CA C 45.110 0.2 1
104 18 GLY H H 10.596 0.010 1
105 18 GLY HA2 H 4.103 0.010 2
106 18 GLY HA3 H 3.453 0.010 2
107 18 GLY N N 112.477 0.1 1
108 19 PHE C C 173.646 0.2 1
109 19 PHE CA C 55.516 0.2 1
110 19 PHE CB C 43.196 0.2 1
111 19 PHE H H 7.500 0.010 1
112 19 PHE HA H 5.291 0.010 1
113 19 PHE N N 113.792 0.1 1
114 20 ILE C C 175.764 0.2 1
115 20 ILE CA C 58.933 0.2 1
116 20 ILE CB C 37.846 0.2 1
117 20 ILE H H 9.988 0.010 1
118 20 ILE HA H 5.051 0.010 1
119 20 ILE N N 126.629 0.1 1
120 21 ASP C C 175.686 0.2 1
121 21 ASP CA C 52.214 0.2 1
122 21 ASP CB C 41.907 0.2 1
123 21 ASP H H 9.322 0.010 1
124 21 ASP HA H 5.124 0.010 1
125 21 ASP N N 129.797 0.1 1
126 22 ARG C C 178.803 0.2 1
127 22 ARG CA C 58.193 0.2 1
128 22 ARG CB C 28.264 0.2 1
129 22 ARG H H 8.564 0.010 1
130 22 ARG HA H 3.359 0.010 1
131 22 ARG N N 118.041 0.1 1
132 23 GLU C C 180.100 0.2 1
133 23 GLU CA C 59.392 0.2 1
134 23 GLU CB C 28.950 0.2 1
135 23 GLU H H 8.309 0.010 1
136 23 GLU HA H 4.108 0.010 1
137 23 GLU N N 122.771 0.1 1
138 24 GLU C C 179.466 0.2 1
139 24 GLU CA C 58.237 0.2 1
140 24 GLU CB C 30.455 0.2 1
141 24 GLU H H 9.062 0.010 1
142 24 GLU HA H 4.179 0.010 1
143 24 GLU N N 122.272 0.1 1
144 25 PHE C C 176.876 0.2 1
145 25 PHE CA C 60.766 0.2 1
146 25 PHE CB C 40.514 0.2 1
147 25 PHE H H 8.931 0.010 1
148 25 PHE HA H 4.050 0.010 1
149 25 PHE N N 118.985 0.1 1
150 26 GLY C C 175.475 0.2 1
151 26 GLY CA C 47.163 0.2 1
152 26 GLY H H 7.891 0.010 1
153 26 GLY HA2 H 4.126 0.010 2
154 26 GLY HA3 H 3.652 0.010 2
155 26 GLY N N 103.509 0.1 1
156 27 ASP C C 177.555 0.2 1
157 27 ASP CA C 56.657 0.2 1
158 27 ASP CB C 40.521 0.2 1
159 27 ASP H H 7.492 0.010 1
160 27 ASP HA H 4.545 0.010 1
161 27 ASP N N 119.470 0.1 1
162 28 ILE C C 178.112 0.2 1
163 28 ILE CA C 63.693 0.2 1
164 28 ILE CB C 36.967 0.2 1
165 28 ILE H H 7.290 0.010 1
166 28 ILE HA H 3.222 0.010 1
167 28 ILE N N 119.005 0.1 1
168 29 ILE C C 178.396 0.2 1
169 29 ILE CA C 61.114 0.2 1
170 29 ILE CB C 36.103 0.2 1
171 29 ILE H H 7.217 0.010 1
172 29 ILE HA H 3.792 0.010 1
173 29 ILE N N 118.036 0.1 1
174 30 ARG C C 178.243 0.2 1
175 30 ARG CA C 58.528 0.2 1
176 30 ARG CB C 29.873 0.2 1
177 30 ARG H H 7.748 0.010 1
178 30 ARG HA H 4.165 0.010 1
179 30 ARG N N 120.280 0.1 1
180 31 LEU C C 178.573 0.2 1
181 31 LEU CA C 56.866 0.2 1
182 31 LEU CB C 41.900 0.2 1
183 31 LEU H H 7.614 0.010 1
184 31 LEU HA H 4.211 0.010 1
185 31 LEU N N 119.077 0.1 1
186 32 THR C C 175.796 0.2 1
187 32 THR CA C 62.532 0.2 1
188 32 THR CB C 70.251 0.2 1
189 32 THR H H 7.652 0.010 1
190 32 THR HA H 4.346 0.010 1
191 32 THR N N 108.038 0.1 1
210 36 LEU C C 177.647 0.2 1
211 36 LEU CA C 53.868 0.2 1
212 36 LEU CB C 44.448 0.2 1
213 36 LEU H H 7.790 0.010 1
214 36 LEU HA H 4.764 0.010 1
215 36 LEU N N 124.703 0.1 1
216 37 THR C C 175.339 0.2 1
217 37 THR CA C 60.591 0.2 1
218 37 THR CB C 71.227 0.2 1
219 37 THR H H 9.146 0.010 1
220 37 THR HA H 4.485 0.010 1
221 37 THR N N 114.475 0.1 1
222 38 ASP C C 177.870 0.2 1
223 38 ASP CA C 57.889 0.2 1
224 38 ASP CB C 39.895 0.2 1
225 38 ASP H H 8.857 0.010 1
226 38 ASP HA H 4.255 0.010 1
227 38 ASP N N 120.839 0.1 1
228 39 GLU C C 179.052 0.2 1
229 39 GLU CA C 59.662 0.2 1
230 39 GLU CB C 28.823 0.2 1
231 39 GLU H H 8.389 0.010 1
232 39 GLU HA H 4.120 0.010 1
233 39 GLU N N 118.596 0.1 1
234 40 ASP C C 179.307 0.2 1
235 40 ASP CA C 57.164 0.2 1
236 40 ASP CB C 41.229 0.2 1
237 40 ASP H H 7.768 0.010 1
238 40 ASP HA H 4.460 0.010 1
239 40 ASP N N 121.412 0.1 1
240 41 VAL C C 177.685 0.2 1
241 41 VAL CA C 67.286 0.2 1
242 41 VAL CB C 31.498 0.2 1
243 41 VAL H H 8.215 0.010 1
244 41 VAL HA H 3.605 0.010 1
245 41 VAL N N 121.053 0.1 1
246 42 ASP C C 179.444 0.2 1
247 42 ASP CA C 57.744 0.2 1
248 42 ASP CB C 40.082 0.2 1
249 42 ASP H H 8.527 0.010 1
250 42 ASP HA H 4.213 0.010 1
251 42 ASP N N 120.507 0.1 1
252 43 GLU C C 178.328 0.2 1
253 43 GLU CA C 59.264 0.2 1
254 43 GLU CB C 29.277 0.2 1
255 43 GLU H H 7.758 0.010 1
256 43 GLU HA H 4.119 0.010 1
257 43 GLU N N 121.091 0.1 1
258 44 ILE C C 179.412 0.2 1
259 44 ILE CA C 64.747 0.2 1
260 44 ILE CB C 38.919 0.2 1
261 44 ILE H H 7.934 0.010 1
262 44 ILE HA H 3.957 0.010 1
263 44 ILE N N 120.248 0.1 1
264 45 PHE C C 176.732 0.2 1
265 45 PHE CA C 62.039 0.2 1
266 45 PHE CB C 38.562 0.2 1
267 45 PHE H H 9.019 0.010 1
268 45 PHE HA H 3.126 0.010 1
269 45 PHE N N 124.028 0.1 1
270 46 GLY C C 176.365 0.2 1
271 46 GLY CA C 47.055 0.2 1
272 46 GLY H H 8.219 0.010 1
273 46 GLY HA2 H 3.945 0.010 1
274 46 GLY HA3 H 3.945 0.010 1
275 46 GLY N N 104.229 0.1 1
276 47 ASP C C 178.101 0.2 1
277 47 ASP CA C 56.235 0.2 1
278 47 ASP CB C 40.558 0.2 1
279 47 ASP H H 8.106 0.010 1
280 47 ASP HA H 4.343 0.010 1
281 47 ASP N N 119.686 0.1 1
282 48 SER C C 173.432 0.2 1
283 48 SER CA C 59.878 0.2 1
284 48 SER CB C 63.709 0.2 1
285 48 SER H H 7.567 0.010 1
286 48 SER HA H 4.281 0.010 1
287 48 SER N N 113.923 0.1 1
294 50 THR C C 176.041 0.2 1
295 50 THR CA C 65.351 0.2 1
296 50 THR CB C 68.597 0.2 1
297 50 THR H H 7.841 0.010 1
298 50 THR HA H 3.863 0.010 1
299 50 THR N N 119.204 0.1 1
300 51 ASP C C 175.994 0.2 1
301 51 ASP CA C 52.795 0.2 1
302 51 ASP CB C 39.098 0.2 1
303 51 ASP H H 7.972 0.010 1
304 51 ASP HA H 4.607 0.010 1
305 51 ASP N N 117.233 0.1 1
306 52 LYS C C 176.126 0.2 1
307 52 LYS CA C 56.238 0.2 1
308 52 LYS CB C 28.711 0.2 1
309 52 LYS H H 7.729 0.010 1
310 52 LYS HA H 3.961 0.010 1
311 52 LYS N N 113.938 0.1 1
318 54 GLY C C 172.983 0.2 1
319 54 GLY CA C 45.671 0.2 1
320 54 GLY H H 10.782 0.010 1
321 54 GLY HA2 H 4.161 0.010 2
322 54 GLY HA3 H 3.605 0.010 2
323 54 GLY N N 113.327 0.1 1
324 55 ARG C C 173.745 0.2 1
325 55 ARG CA C 54.044 0.2 1
326 55 ARG CB C 33.457 0.2 1
327 55 ARG H H 7.501 0.010 1
328 55 ARG HA H 4.826 0.010 1
329 55 ARG N N 115.634 0.1 1
330 56 ILE C C 175.886 0.2 1
331 56 ILE CA C 58.892 0.2 1
332 56 ILE CB C 36.907 0.2 1
333 56 ILE H H 9.592 0.010 1
334 56 ILE HA H 5.127 0.010 1
335 56 ILE N N 127.446 0.1 1
336 57 ASP C C 175.630 0.2 1
337 57 ASP CA C 52.329 0.2 1
338 57 ASP CB C 42.175 0.2 1
339 57 ASP H H 9.267 0.010 1
340 57 ASP HA H 5.185 0.010 1
341 57 ASP N N 129.499 0.1 1
342 58 PHE C C 176.306 0.2 1
343 58 PHE CA C 61.806 0.2 1
344 58 PHE CB C 38.539 0.2 1
345 58 PHE H H 8.799 0.010 1
346 58 PHE HA H 3.761 0.010 1
347 58 PHE N N 118.391 0.1 1
348 59 ASP C C 179.808 0.2 1
349 59 ASP CA C 57.781 0.2 1
350 59 ASP CB C 41.399 0.2 1
351 59 ASP H H 7.930 0.010 1
352 59 ASP HA H 4.167 0.010 1
353 59 ASP N N 118.077 0.1 1
354 60 GLU C C 180.287 0.2 1
355 60 GLU CA C 58.326 0.2 1
356 60 GLU CB C 29.925 0.2 1
357 60 GLU H H 7.331 0.010 1
358 60 GLU HA H 3.967 0.010 1
359 60 GLU N N 117.047 0.1 1
360 61 PHE C C 176.012 0.2 1
361 61 PHE CA C 61.100 0.2 1
362 61 PHE CB C 39.493 0.2 1
363 61 PHE H H 9.079 0.010 1
364 61 PHE HA H 4.155 0.010 1
365 61 PHE N N 124.075 0.1 1
366 62 LEU C C 179.855 0.2 1
367 62 LEU CA C 58.109 0.2 1
368 62 LEU CB C 40.495 0.2 1
369 62 LEU H H 8.416 0.010 1
370 62 LEU HA H 3.501 0.010 1
371 62 LEU N N 119.964 0.1 1
372 63 LYS C C 178.875 0.2 1
373 63 LYS CA C 58.288 0.2 1
374 63 LYS CB C 31.683 0.2 1
375 63 LYS H H 8.804 0.010 1
376 63 LYS HA H 4.060 0.010 1
377 63 LYS N N 121.221 0.1 1
378 64 MET C C 178.427 0.2 1
379 64 MET CA C 58.374 0.2 1
380 64 MET CB C 32.200 0.2 1
381 64 MET H H 7.895 0.010 1
382 64 MET HA H 4.108 0.010 1
383 64 MET N N 119.896 0.1 1
384 65 MET C C 178.184 0.2 1
385 65 MET CA C 55.118 0.2 1
386 65 MET CB C 30.790 0.2 1
387 65 MET H H 7.859 0.010 1
388 65 MET HA H 4.337 0.010 1
389 65 MET N N 116.299 0.1 1
390 66 GLU C C 177.017 0.2 1
391 66 GLU CA C 58.092 0.2 1
392 66 GLU CB C 29.619 0.2 1
393 66 GLU H H 7.568 0.010 1
394 66 GLU HA H 4.091 0.010 1
395 66 GLU N N 119.624 0.1 1
396 67 ASN C C 175.231 0.2 1
397 67 ASN CA C 53.440 0.2 1
398 67 ASN CB C 39.284 0.2 1
399 67 ASN H H 7.819 0.010 1
400 67 ASN HA H 4.776 0.010 1
401 67 ASN N N 116.153 0.1 1
stop_