BMRB: 51978

Backbone 1H, 13C, and 15N Chemical Shift Assignments for human PHOX2B C-terminal domain at 278K

Authors

Anton, R., Trevino, M., Pantoja-Uceda, D.

Assembly

PHOX2B small oligomer

Entity

1. PHOX2B small oligomer (polymer, Thiol state: not present), 87 monomers, 7531.350 Da Detail

GPGGPGGEPG KGGAAAAAAA AAAAAAAAAA AAAGGLAAAG GPGQGWAPGP GPITSIPDSL GGPFASVLSS LQRPNGAKAA LVKSSMF

Formula weight

7531.35 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 415, ¹³C: 237, ¹⁵N: 67 assignments Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	2	PRO	HA	H	4.483	0.018
2	1	2	PRO	HB2	H	2.298	0.084
3	1	2	PRO	HB3	H	2.051	0.019
4	1	2	PRO	HG2	H	1.900	0.006
5	1	2	PRO	HG3	H	1.782	0.000
6	1	2	PRO	HD2	H	3.718	0.024
7	1	2	PRO	HD3	H	3.718	0.024
8	1	2	PRO	C	C	177.816	0.000
9	1	2	PRO	CA	C	63.543	0.014
10	1	2	PRO	CB	C	32.064	0.038
11	1	2	PRO	CG	C	27.035	0.006
12	1	2	PRO	CD	C	49.757	0.003
13	1	3	GLY	H	H	8.934	0.090
14	1	3	GLY	HA2	H	4.073	0.088
15	1	3	GLY	HA3	H	4.073	0.088
16	1	3	GLY	C	C	174.468	0.005
17	1	3	GLY	CA	C	44.893	0.027
18	1	3	GLY	N	N	109.655	0.154
19	1	4	GLY	H	H	8.448	0.117
20	1	4	GLY	HA2	H	4.265	0.099
21	1	4	GLY	HA3	H	4.265	0.099
22	1	4	GLY	C	C	172.330	0.002
23	1	4	GLY	N	N	108.986	0.189
24	1	5	PRO	HA	H	4.511	0.019
25	1	5	PRO	HB2	H	2.335	0.007
26	1	5	PRO	HB3	H	2.064	0.021
27	1	5	PRO	HG2	H	1.957	0.014
28	1	5	PRO	HG3	H	1.842	0.024
29	1	5	PRO	HD2	H	3.712	0.015
30	1	5	PRO	HD3	H	3.712	0.015
31	1	5	PRO	C	C	177.995	0.000
32	1	5	PRO	CA	C	63.602	0.020
33	1	5	PRO	CB	C	32.047	0.106
34	1	5	PRO	CG	C	27.067	0.002
35	1	5	PRO	CD	C	49.749	0.014
36	1	6	GLY	H	H	8.956	0.095
37	1	6	GLY	HA2	H	4.073	0.091
38	1	6	GLY	HA3	H	4.073	0.091
39	1	6	GLY	C	C	174.713	0.000
40	1	6	GLY	CA	C	45.164	0.010
41	1	6	GLY	N	N	109.883	0.192
42	1	7	GLY	H	H	8.497	0.098
43	1	7	GLY	HA2	H	4.081	0.089
44	1	7	GLY	HA3	H	4.081	0.089
45	1	7	GLY	C	C	173.945	0.005
46	1	7	GLY	CA	C	44.772	0.058
47	1	7	GLY	N	N	108.728	0.176
48	1	8	GLU	H	H	8.733	0.094
49	1	8	GLU	HA	H	4.857	0.000
50	1	8	GLU	HB2	H	2.062	0.000
51	1	8	GLU	HB3	H	2.062	0.000
52	1	8	GLU	HG2	H	2.531	0.000
53	1	8	GLU	HG3	H	2.531	0.000
54	1	8	GLU	C	C	174.983	0.000
55	1	8	GLU	N	N	122.077	0.207
56	1	9	PRO	HA	H	4.460	0.017
57	1	9	PRO	HB2	H	2.350	0.002
58	1	9	PRO	HB3	H	1.986	0.006
59	1	9	PRO	HG2	H	2.115	0.030
60	1	9	PRO	HG3	H	2.115	0.030
61	1	9	PRO	HD2	H	3.900	0.000
62	1	9	PRO	HD3	H	3.750	0.000
63	1	9	PRO	C	C	177.904	0.000
64	1	9	PRO	CA	C	63.581	0.029
65	1	9	PRO	CB	C	32.017	0.092
66	1	9	PRO	CG	C	27.404	0.000
67	1	9	PRO	CD	C	50.703	0.000
68	1	10	GLY	H	H	8.903	0.100
69	1	10	GLY	HA2	H	4.018	0.012
70	1	10	GLY	HA3	H	4.018	0.012
71	1	10	GLY	C	C	174.627	0.003
72	1	10	GLY	CA	C	45.320	0.016
73	1	10	GLY	N	N	109.209	0.147
74	1	11	LYS	H	H	8.513	0.107
75	1	11	LYS	HA	H	4.430	0.075
76	1	11	LYS	HB2	H	1.945	0.055
77	1	11	LYS	HB3	H	1.855	0.019
78	1	11	LYS	HG2	H	1.530	0.016
79	1	11	LYS	HG3	H	1.469	0.024
80	1	11	LYS	HD2	H	1.724	0.010
81	1	11	LYS	HD3	H	1.724	0.010
82	1	11	LYS	HE2	H	3.026	0.011
83	1	11	LYS	HE3	H	3.026	0.011
84	1	11	LYS	C	C	177.695	0.017
85	1	11	LYS	CA	C	56.511	0.039
86	1	11	LYS	CB	C	32.895	0.029
87	1	11	LYS	CG	C	24.771	0.016
88	1	11	LYS	CD	C	32.099	0.000
89	1	11	LYS	CE	C	42.102	0.017
90	1	11	LYS	N	N	121.025	0.168
91	1	12	GLY	H	H	8.945	0.096
92	1	12	GLY	HA2	H	4.088	0.075
93	1	12	GLY	HA3	H	4.088	0.075
94	1	12	GLY	C	C	175.399	0.002
95	1	12	GLY	CA	C	45.682	0.054
96	1	12	GLY	N	N	110.210	0.157
97	1	13	GLY	H	H	8.672	0.109
98	1	13	GLY	HA2	H	4.102	0.076
99	1	13	GLY	HA3	H	4.102	0.076
100	1	13	GLY	C	C	175.402	0.001
101	1	13	GLY	CA	C	45.790	0.028
102	1	13	GLY	N	N	109.412	0.168
103	1	14	ALA	H	H	8.767	0.098
104	1	14	ALA	HA	H	4.309	0.054
105	1	14	ALA	HB1	H	1.532	0.016
106	1	14	ALA	HB2	H	1.532	0.016
107	1	14	ALA	HB3	H	1.532	0.016
108	1	14	ALA	C	C	180.173	0.015
109	1	14	ALA	CA	C	54.654	0.074
110	1	14	ALA	CB	C	18.390	0.041
111	1	14	ALA	N	N	125.191	0.159
112	1	15	ALA	H	H	8.847	0.096
113	1	15	ALA	HA	H	4.356	0.094
114	1	15	ALA	HB1	H	1.496	0.067
115	1	15	ALA	HB2	H	1.496	0.067
116	1	15	ALA	HB3	H	1.496	0.067
117	1	15	ALA	C	C	180.524	0.001
118	1	15	ALA	CA	C	54.793	0.029
119	1	15	ALA	CB	C	17.752	0.024
120	1	15	ALA	N	N	122.809	0.172
121	1	16	ALA	H	H	8.450	0.093
122	1	16	ALA	HA	H	4.351	0.082
123	1	16	ALA	HB1	H	1.587	0.016
124	1	16	ALA	HB2	H	1.587	0.016
125	1	16	ALA	HB3	H	1.587	0.016
126	1	16	ALA	C	C	180.639	0.028
127	1	16	ALA	CA	C	54.846	0.046
128	1	16	ALA	CB	C	17.805	0.082
129	1	16	ALA	N	N	122.996	0.181
130	1	17	ALA	H	H	8.465	0.075
131	1	17	ALA	HA	H	4.369	0.104
132	1	17	ALA	HB1	H	1.587	0.019
133	1	17	ALA	HB2	H	1.587	0.019
134	1	17	ALA	HB3	H	1.587	0.019
135	1	17	ALA	C	C	180.849	0.000
136	1	17	ALA	CA	C	54.831	0.059
137	1	17	ALA	CB	C	17.734	0.029
138	1	17	ALA	N	N	122.782	0.178
139	1	18	ALA	H	H	8.439	0.088
140	1	18	ALA	HA	H	4.357	0.086
141	1	18	ALA	HB1	H	1.587	0.011
142	1	18	ALA	HB2	H	1.587	0.011
143	1	18	ALA	HB3	H	1.587	0.011
144	1	18	ALA	C	C	180.830	0.000
145	1	18	ALA	CA	C	54.804	0.121
146	1	18	ALA	CB	C	17.743	0.035
147	1	18	ALA	N	N	122.799	0.163
148	1	19	ALA	H	H	8.480	0.004
149	1	19	ALA	HA	H	4.355	0.104
150	1	19	ALA	HB1	H	1.580	0.010
151	1	19	ALA	HB2	H	1.580	0.010
152	1	19	ALA	HB3	H	1.580	0.010
153	1	19	ALA	C	C	180.823	0.000
154	1	19	ALA	CA	C	54.779	0.029
155	1	19	ALA	CB	C	17.782	0.039
156	1	19	ALA	N	N	122.833	0.171
157	1	20	ALA	H	H	8.466	0.004
158	1	20	ALA	HA	H	4.356	0.098
159	1	20	ALA	HB1	H	1.564	0.014
160	1	20	ALA	HB2	H	1.564	0.014
161	1	20	ALA	HB3	H	1.564	0.014
162	1	20	ALA	C	C	180.732	0.000
163	1	20	ALA	CA	C	54.830	0.068
164	1	20	ALA	CB	C	17.847	0.005
165	1	20	ALA	N	N	122.817	0.180
166	1	21	ALA	H	H	8.476	0.111
167	1	21	ALA	HA	H	4.365	0.111
168	1	21	ALA	HB1	H	1.572	0.013
169	1	21	ALA	HB2	H	1.572	0.013
170	1	21	ALA	HB3	H	1.572	0.013
171	1	21	ALA	C	C	180.841	0.012
172	1	21	ALA	CA	C	54.811	0.080
173	1	21	ALA	CB	C	17.771	0.056
174	1	21	ALA	N	N	122.888	0.183
175	1	22	ALA	H	H	8.463	0.072
176	1	22	ALA	HA	H	4.361	0.089
177	1	22	ALA	HB1	H	1.582	0.005
178	1	22	ALA	HB2	H	1.582	0.005
179	1	22	ALA	HB3	H	1.582	0.005
180	1	22	ALA	C	C	180.846	0.000
181	1	22	ALA	CA	C	54.845	0.068
182	1	22	ALA	CB	C	17.772	0.041
183	1	22	ALA	N	N	122.888	0.175
184	1	23	ALA	H	H	8.447	0.086
185	1	23	ALA	HA	H	4.367	0.092
186	1	23	ALA	HB1	H	1.571	0.013
187	1	23	ALA	HB2	H	1.571	0.013
188	1	23	ALA	HB3	H	1.571	0.013
189	1	23	ALA	C	C	180.834	0.000
190	1	23	ALA	CA	C	54.787	0.130
191	1	23	ALA	CB	C	17.766	0.032
192	1	23	ALA	N	N	122.846	0.210
193	1	24	ALA	H	H	8.478	0.004
194	1	24	ALA	HA	H	4.355	0.093
195	1	24	ALA	HB1	H	1.578	0.007
196	1	24	ALA	HB2	H	1.578	0.007
197	1	24	ALA	HB3	H	1.578	0.007
198	1	24	ALA	C	C	180.737	0.000
199	1	24	ALA	CA	C	54.846	0.063
200	1	24	ALA	CB	C	17.748	0.014
201	1	24	ALA	N	N	122.793	0.212
202	1	25	ALA	H	H	8.453	0.060
203	1	25	ALA	HA	H	4.354	0.092
204	1	25	ALA	HB1	H	1.575	0.011
205	1	25	ALA	HB2	H	1.575	0.011
206	1	25	ALA	HB3	H	1.575	0.011
207	1	25	ALA	C	C	180.599	0.000
208	1	25	ALA	CA	C	54.811	0.058
209	1	25	ALA	CB	C	17.762	0.031
210	1	25	ALA	N	N	122.778	0.220
211	1	26	ALA	H	H	8.403	0.094
212	1	26	ALA	HA	H	4.352	0.084
213	1	26	ALA	HB1	H	1.586	0.014
214	1	26	ALA	HB2	H	1.586	0.014
215	1	26	ALA	HB3	H	1.586	0.014
216	1	26	ALA	C	C	180.704	0.009
217	1	26	ALA	CA	C	54.770	0.055
218	1	26	ALA	CB	C	17.734	0.016
219	1	26	ALA	N	N	122.701	0.176
220	1	27	ALA	H	H	8.364	0.096
221	1	27	ALA	HA	H	4.342	0.079
222	1	27	ALA	HB1	H	1.578	0.009
223	1	27	ALA	HB2	H	1.578	0.009
224	1	27	ALA	HB3	H	1.578	0.009
225	1	27	ALA	C	C	180.613	0.010
226	1	27	ALA	CA	C	54.709	0.026
227	1	27	ALA	CB	C	17.767	0.018
228	1	27	ALA	N	N	122.505	0.166
229	1	28	ALA	H	H	8.315	0.096
230	1	28	ALA	HA	H	4.344	0.085
231	1	28	ALA	HB1	H	1.573	0.014
232	1	28	ALA	HB2	H	1.573	0.014
233	1	28	ALA	HB3	H	1.573	0.014
234	1	28	ALA	C	C	180.480	0.002
235	1	28	ALA	CA	C	54.631	0.038
236	1	28	ALA	CB	C	17.805	0.006
237	1	28	ALA	N	N	122.312	0.172
238	1	29	ALA	H	H	8.268	0.095
239	1	29	ALA	HA	H	4.322	0.075
240	1	29	ALA	HB1	H	1.572	0.017
241	1	29	ALA	HB2	H	1.572	0.017
242	1	29	ALA	HB3	H	1.572	0.017
243	1	29	ALA	C	C	180.248	0.008
244	1	29	ALA	CA	C	54.502	0.036
245	1	29	ALA	CB	C	17.849	0.016
246	1	29	ALA	N	N	121.996	0.163
247	1	30	ALA	H	H	8.195	0.104
248	1	30	ALA	HA	H	4.320	0.088
249	1	30	ALA	HB1	H	1.542	0.013
250	1	30	ALA	HB2	H	1.542	0.013
251	1	30	ALA	HB3	H	1.542	0.013
252	1	30	ALA	C	C	179.982	0.012
253	1	30	ALA	CA	C	54.276	0.021
254	1	30	ALA	CB	C	17.987	0.011
255	1	30	ALA	N	N	121.552	0.180
256	1	31	ALA	H	H	8.114	0.113
257	1	31	ALA	HA	H	4.309	0.067
258	1	31	ALA	HB1	H	1.539	0.017
259	1	31	ALA	HB2	H	1.539	0.017
260	1	31	ALA	HB3	H	1.539	0.017
261	1	31	ALA	C	C	179.484	0.018
262	1	31	ALA	CA	C	53.859	0.028
263	1	31	ALA	CB	C	18.220	0.039
264	1	31	ALA	N	N	121.262	0.183
265	1	32	ALA	H	H	8.051	0.104
266	1	32	ALA	HA	H	4.338	0.092
267	1	32	ALA	HB1	H	1.540	0.016
268	1	32	ALA	HB2	H	1.540	0.016
269	1	32	ALA	HB3	H	1.540	0.016
270	1	32	ALA	C	C	178.818	0.014
271	1	32	ALA	CA	C	53.502	0.031
272	1	32	ALA	CB	C	18.424	0.030
273	1	32	ALA	N	N	121.233	0.144
274	1	33	ALA	H	H	8.073	0.104
275	1	33	ALA	HA	H	4.357	0.076
276	1	33	ALA	HB1	H	1.527	0.007
277	1	33	ALA	HB2	H	1.527	0.007
278	1	33	ALA	HB3	H	1.527	0.007
279	1	33	ALA	C	C	178.945	0.035
280	1	33	ALA	CA	C	53.336	0.074
281	1	33	ALA	CB	C	18.682	0.015
282	1	33	ALA	N	N	121.393	0.177
283	1	34	GLY	H	H	8.356	0.102
284	1	34	GLY	HA2	H	4.141	0.119
285	1	34	GLY	HA3	H	4.141	0.119
286	1	34	GLY	C	C	175.108	0.006
287	1	34	GLY	CA	C	45.641	0.113
288	1	34	GLY	N	N	106.889	0.186
289	1	35	GLY	H	H	8.380	0.105
290	1	35	GLY	HA2	H	4.064	0.082
291	1	35	GLY	HA3	H	4.064	0.082
292	1	35	GLY	C	C	174.534	0.001
293	1	35	GLY	CA	C	45.433	0.066
294	1	35	GLY	N	N	108.665	0.180
295	1	36	LEU	H	H	8.339	0.101
296	1	36	LEU	HA	H	4.408	0.109
297	1	36	LEU	HB2	H	1.665	0.038
298	1	36	LEU	HB3	H	1.665	0.038
299	1	36	LEU	HG	H	1.696	0.000
300	1	36	LEU	HD11	H	0.963	0.015
301	1	36	LEU	HD12	H	0.963	0.015
302	1	36	LEU	HD13	H	0.963	0.015
303	1	36	LEU	C	C	177.716	0.004
304	1	36	LEU	CA	C	55.377	0.014
305	1	36	LEU	CB	C	42.282	0.020
306	1	36	LEU	CG	C	26.814	0.005
307	1	36	LEU	CD1	C	24.580	0.001
308	1	36	LEU	CD2	C	23.339	0.000
309	1	36	LEU	N	N	121.841	0.180
310	1	37	ALA	H	H	8.558	0.099
311	1	37	ALA	HA	H	4.369	0.093
312	1	37	ALA	HB1	H	1.437	0.013
313	1	37	ALA	HB2	H	1.437	0.013
314	1	37	ALA	HB3	H	1.437	0.013
315	1	37	ALA	C	C	177.875	0.003
316	1	37	ALA	CA	C	52.673	0.023
317	1	37	ALA	CB	C	18.920	0.011
318	1	37	ALA	N	N	124.604	0.174
319	1	38	ALA	H	H	8.488	0.074
320	1	38	ALA	HA	H	4.352	0.073
321	1	38	ALA	HB1	H	1.467	0.059
322	1	38	ALA	HB2	H	1.467	0.059
323	1	38	ALA	HB3	H	1.467	0.059
324	1	38	ALA	C	C	177.803	0.015
325	1	38	ALA	CA	C	52.536	0.039
326	1	38	ALA	CB	C	19.060	0.010
327	1	38	ALA	N	N	123.283	0.200
328	1	39	ALA	H	H	8.529	0.091
329	1	39	ALA	HA	H	4.382	0.083
330	1	39	ALA	HB1	H	1.456	0.011
331	1	39	ALA	HB2	H	1.456	0.011
332	1	39	ALA	HB3	H	1.456	0.011
333	1	39	ALA	C	C	178.320	0.003
334	1	39	ALA	CA	C	52.722	0.051
335	1	39	ALA	CB	C	19.144	0.022
336	1	39	ALA	N	N	123.470	0.182
337	1	40	GLY	H	H	8.590	0.102
338	1	40	GLY	HA2	H	4.034	0.086
339	1	40	GLY	HA3	H	4.034	0.086
340	1	40	GLY	C	C	174.371	0.003
341	1	40	GLY	CA	C	45.026	0.044
342	1	40	GLY	N	N	108.096	0.184
343	1	41	GLY	H	H	8.341	0.101
344	1	41	GLY	HA2	H	4.212	0.092
345	1	41	GLY	HA3	H	4.212	0.092
346	1	41	GLY	C	C	171.975	0.000
347	1	41	GLY	N	N	108.797	0.162
348	1	42	PRO	HA	H	4.454	0.018
349	1	42	PRO	HB2	H	2.266	0.090
350	1	42	PRO	HB3	H	2.001	0.021
351	1	42	PRO	HG2	H	1.944	0.073
352	1	42	PRO	HG3	H	1.944	0.073
353	1	42	PRO	HD2	H	3.659	0.027
354	1	42	PRO	HD3	H	3.659	0.027
355	1	42	PRO	C	C	177.957	0.000
356	1	42	PRO	CA	C	63.531	0.022
357	1	42	PRO	CB	C	31.964	0.066
358	1	42	PRO	CG	C	27.121	0.011
359	1	42	PRO	CD	C	49.698	0.002
360	1	43	GLY	H	H	8.868	0.100
361	1	43	GLY	HA2	H	4.014	0.080
362	1	43	GLY	HA3	H	4.014	0.080
363	1	43	GLY	C	C	174.341	0.004
364	1	43	GLY	CA	C	45.266	0.003
365	1	43	GLY	N	N	109.882	0.149
366	1	44	GLN	H	H	8.492	0.109
367	1	44	GLN	HA	H	4.380	0.076
368	1	44	GLN	HB2	H	2.133	0.010
369	1	44	GLN	HB3	H	1.977	0.010
370	1	44	GLN	HG2	H	2.353	0.021
371	1	44	GLN	HG3	H	2.353	0.021
372	1	44	GLN	C	C	176.611	0.006
373	1	44	GLN	CA	C	55.948	0.066
374	1	44	GLN	CB	C	32.013	2.163
375	1	44	GLN	CG	C	30.810	2.094
376	1	44	GLN	N	N	119.762	0.175
377	1	45	GLY	H	H	8.785	0.103
378	1	45	GLY	HA2	H	3.998	0.071
379	1	45	GLY	HA3	H	3.998	0.071
380	1	45	GLY	C	C	173.642	0.004
381	1	45	GLY	CA	C	45.131	0.012
382	1	45	GLY	N	N	110.351	0.179
383	1	46	TRP	H	H	8.257	0.109
384	1	46	TRP	HA	H	4.654	0.057
385	1	46	TRP	HB2	H	3.280	0.018
386	1	46	TRP	HB3	H	3.280	0.018
387	1	46	TRP	HD1	H	7.264	0.021
388	1	46	TRP	HE3	H	7.587	0.013
389	1	46	TRP	C	C	175.363	0.006
390	1	46	TRP	CA	C	57.518	0.023
391	1	46	TRP	CB	C	29.704	0.034
392	1	46	TRP	N	N	121.395	0.155
393	1	47	ALA	H	H	8.217	0.098
394	1	47	ALA	HA	H	4.516	0.092
395	1	47	ALA	HB1	H	1.543	0.027
396	1	47	ALA	HB2	H	1.543	0.027
397	1	47	ALA	HB3	H	1.543	0.027
398	1	47	ALA	C	C	174.375	0.012
399	1	47	ALA	N	N	128.421	0.192
400	1	48	PRO	HA	H	4.497	0.008
401	1	48	PRO	HB2	H	2.264	0.101
402	1	48	PRO	HB3	H	2.040	0.028
403	1	48	PRO	HG2	H	1.804	0.020
404	1	48	PRO	HG3	H	1.684	0.022
405	1	48	PRO	HD2	H	3.675	0.009
406	1	48	PRO	HD3	H	3.675	0.009
407	1	48	PRO	C	C	177.455	0.000
408	1	48	PRO	CA	C	63.318	0.043
409	1	48	PRO	CB	C	32.292	0.010
410	1	48	PRO	CG	C	26.998	0.001
411	1	48	PRO	CD	C	49.834	0.011
412	1	49	GLY	H	H	8.649	0.097
413	1	49	GLY	HA2	H	4.185	0.069
414	1	49	GLY	HA3	H	4.185	0.069
415	1	49	GLY	C	C	171.666	0.000
416	1	49	GLY	N	N	109.746	0.145
417	1	50	PRO	HA	H	4.277	0.005
418	1	50	PRO	HB2	H	2.304	0.003
419	1	50	PRO	HB3	H	1.996	0.009
420	1	50	PRO	HG2	H	2.030	0.000
421	1	50	PRO	HG3	H	2.030	0.000
422	1	50	PRO	HD2	H	3.558	0.019
423	1	50	PRO	HD3	H	3.451	0.004
424	1	50	PRO	C	C	177.276	0.000
425	1	50	PRO	CA	C	62.974	0.019
426	1	50	PRO	CB	C	32.244	0.005
427	1	50	PRO	CG	C	27.092	0.000
428	1	50	PRO	CD	C	50.317	0.004
429	1	51	GLY	H	H	8.551	0.099
430	1	51	GLY	HA2	H	4.201	0.082
431	1	51	GLY	HA3	H	4.201	0.082
432	1	51	GLY	C	C	171.891	0.000
433	1	51	GLY	N	N	109.251	0.150
434	1	52	PRO	HA	H	4.490	0.011
435	1	52	PRO	HB2	H	2.314	0.017
436	1	52	PRO	HB3	H	1.940	0.017
437	1	52	PRO	HG2	H	2.053	0.030
438	1	52	PRO	HG3	H	2.053	0.030
439	1	52	PRO	HD2	H	3.677	0.025
440	1	52	PRO	HD3	H	3.677	0.025
441	1	52	PRO	C	C	177.168	0.000
442	1	52	PRO	CA	C	62.885	0.007
443	1	52	PRO	CB	C	32.158	0.021
444	1	52	PRO	CG	C	27.135	0.006
445	1	53	ILE	H	H	8.658	0.116
446	1	53	ILE	HA	H	4.304	0.079
447	1	53	ILE	HB	H	1.918	0.012
448	1	53	ILE	HG12	H	1.584	0.037
449	1	53	ILE	HG13	H	1.261	0.021
450	1	53	ILE	HG21	H	1.003	0.085
451	1	53	ILE	HG22	H	1.003	0.085
452	1	53	ILE	HG23	H	1.003	0.085
453	1	53	ILE	HD11	H	0.623	0.000
454	1	53	ILE	HD12	H	0.623	0.000
455	1	53	ILE	HD13	H	0.623	0.000
456	1	53	ILE	C	C	176.834	0.004
457	1	53	ILE	CA	C	61.204	0.007
458	1	53	ILE	CB	C	38.522	0.033
459	1	53	ILE	CG1	C	27.312	0.004
460	1	53	ILE	CG2	C	21.335	0.069
461	1	53	ILE	CD1	C	17.543	0.000
462	1	53	ILE	N	N	121.916	0.132
463	1	54	THR	H	H	8.620	0.099
464	1	54	THR	HA	H	4.473	0.074
465	1	54	THR	HB	H	4.250	0.014
466	1	54	THR	HG21	H	1.246	0.011
467	1	54	THR	HG22	H	1.246	0.011
468	1	54	THR	HG23	H	1.246	0.011
469	1	54	THR	C	C	174.226	0.005
470	1	54	THR	CA	C	61.492	0.014
471	1	54	THR	CB	C	69.940	0.028
472	1	54	THR	CG2	C	21.368	0.083
473	1	54	THR	N	N	119.425	0.157
474	1	55	SER	H	H	8.624	0.102
475	1	55	SER	HA	H	4.563	0.073
476	1	55	SER	HB2	H	3.862	0.010
477	1	55	SER	HB3	H	3.862	0.010
478	1	55	SER	C	C	173.889	0.006
479	1	55	SER	CA	C	57.950	0.015
480	1	55	SER	CB	C	63.879	0.032
481	1	55	SER	N	N	119.240	0.177
482	1	56	ILE	H	H	8.636	0.104
483	1	56	ILE	HA	H	4.492	0.230
484	1	56	ILE	HB	H	1.912	0.000
485	1	56	ILE	HG12	H	1.220	0.000
486	1	56	ILE	HG13	H	1.568	0.000
487	1	56	ILE	HG21	H	0.979	0.001
488	1	56	ILE	HG22	H	0.979	0.001
489	1	56	ILE	HG23	H	0.979	0.001
490	1	56	ILE	HD11	H	0.810	0.000
491	1	56	ILE	HD12	H	0.810	0.000
492	1	56	ILE	HD13	H	0.810	0.000
493	1	56	ILE	C	C	174.739	0.000
494	1	56	ILE	N	N	124.946	0.179
495	1	57	PRO	HA	H	4.464	0.025
496	1	57	PRO	HB2	H	2.333	0.021
497	1	57	PRO	HB3	H	1.957	0.026
498	1	57	PRO	HG2	H	2.069	0.021
499	1	57	PRO	HG3	H	2.015	0.007
500	1	57	PRO	HD2	H	3.749	0.063
501	1	57	PRO	HD3	H	3.749	0.063
502	1	57	PRO	C	C	176.775	0.000
503	1	57	PRO	CA	C	63.334	0.037
504	1	57	PRO	CB	C	32.244	0.008
505	1	57	PRO	CG	C	27.351	0.004
506	1	57	PRO	CD	C	51.135	0.009
507	1	58	ASP	H	H	8.754	0.103
508	1	58	ASP	HA	H	4.625	0.077
509	1	58	ASP	HB2	H	2.724	0.014
510	1	58	ASP	HB3	H	2.724	0.014
511	1	58	ASP	C	C	176.736	0.015
512	1	58	ASP	CA	C	54.465	0.042
513	1	58	ASP	CB	C	41.093	0.021
514	1	58	ASP	N	N	121.165	0.179
515	1	59	SER	H	H	8.598	0.103
516	1	59	SER	HA	H	4.494	0.087
517	1	59	SER	HB2	H	3.952	0.031
518	1	59	SER	HB3	H	3.952	0.031
519	1	59	SER	C	C	174.945	0.002
520	1	59	SER	CA	C	58.439	0.036
521	1	59	SER	CB	C	63.637	0.045
522	1	59	SER	N	N	116.437	0.141
523	1	60	LEU	H	H	8.654	0.099
524	1	60	LEU	HA	H	4.466	0.079
525	1	60	LEU	HB2	H	1.738	0.008
526	1	60	LEU	HB3	H	1.687	0.019
527	1	60	LEU	HG	H	1.704	0.000
528	1	60	LEU	HD11	H	0.948	0.014
529	1	60	LEU	HD12	H	0.948	0.014
530	1	60	LEU	HD13	H	0.948	0.014
531	1	60	LEU	HD21	H	0.937	0.021
532	1	60	LEU	HD22	H	0.937	0.021
533	1	60	LEU	HD23	H	0.937	0.021
534	1	60	LEU	C	C	178.072	0.001
535	1	60	LEU	CA	C	55.478	0.048
536	1	60	LEU	CB	C	42.010	0.012
537	1	60	LEU	CG	C	26.960	0.039
538	1	60	LEU	CD1	C	24.787	0.000
539	1	60	LEU	CD2	C	23.334	0.007
540	1	60	LEU	N	N	123.990	0.206
541	1	61	GLY	H	H	8.675	0.085
542	1	61	GLY	HA2	H	4.073	0.087
543	1	61	GLY	HA3	H	4.073	0.087
544	1	61	GLY	C	C	174.439	0.000
545	1	61	GLY	CA	C	45.110	0.061
546	1	61	GLY	N	N	109.265	0.155
547	1	62	GLY	H	H	8.432	0.095
548	1	62	GLY	HA2	H	4.373	0.000
549	1	62	GLY	HA3	H	4.373	0.000
550	1	62	GLY	C	C	172.270	0.000
551	1	62	GLY	N	N	109.174	0.179
552	1	63	PRO	HA	H	4.395	0.013
553	1	63	PRO	HB2	H	2.207	0.040
554	1	63	PRO	HB3	H	1.698	0.011
555	1	63	PRO	HG2	H	1.998	0.027
556	1	63	PRO	HG3	H	1.822	0.028
557	1	63	PRO	HD2	H	3.603	0.072
558	1	63	PRO	HD3	H	3.603	0.072
559	1	63	PRO	C	C	177.039	0.000
560	1	63	PRO	CA	C	63.388	0.042
561	1	63	PRO	CB	C	31.875	0.054
562	1	63	PRO	CG	C	26.971	0.012
563	1	63	PRO	CD	C	49.811	0.003
564	1	64	PHE	H	H	8.592	0.107
565	1	64	PHE	HA	H	4.755	0.089
566	1	64	PHE	HB2	H	3.219	0.080
567	1	64	PHE	HB3	H	3.043	0.013
568	1	64	PHE	HD1	H	7.293	0.038
569	1	64	PHE	HD2	H	7.293	0.038
570	1	64	PHE	C	C	175.561	0.002
571	1	64	PHE	CA	C	57.391	0.106
572	1	64	PHE	CB	C	39.181	0.016
573	1	64	PHE	N	N	119.981	0.126
574	1	65	ALA	H	H	8.275	0.101
575	1	65	ALA	HA	H	4.372	0.084
576	1	65	ALA	HB1	H	1.402	0.014
577	1	65	ALA	HB2	H	1.402	0.014
578	1	65	ALA	HB3	H	1.402	0.014
579	1	65	ALA	C	C	177.316	0.005
580	1	65	ALA	CA	C	52.369	0.028
581	1	65	ALA	CB	C	19.350	0.009
582	1	65	ALA	N	N	125.614	0.168
583	1	66	SER	H	H	8.542	0.108
584	1	66	SER	HA	H	4.539	0.079
585	1	66	SER	HB2	H	3.901	0.017
586	1	66	SER	HB3	H	3.901	0.017
587	1	66	SER	C	C	174.465	0.018
588	1	66	SER	CA	C	58.246	0.024
589	1	66	SER	CB	C	63.837	0.009
590	1	66	SER	N	N	115.731	0.331
591	1	67	VAL	H	H	8.522	0.103
592	1	67	VAL	HA	H	4.287	0.076
593	1	67	VAL	HB	H	2.165	0.012
594	1	67	VAL	HG11	H	0.984	0.012
595	1	67	VAL	HG12	H	0.984	0.012
596	1	67	VAL	HG13	H	0.984	0.012
597	1	67	VAL	HG21	H	0.996	0.000
598	1	67	VAL	HG22	H	0.996	0.000
599	1	67	VAL	HG23	H	0.996	0.000
600	1	67	VAL	C	C	175.380	0.010
601	1	67	VAL	CA	C	62.219	0.007
602	1	67	VAL	CB	C	32.698	0.028
603	1	67	VAL	CG1	C	21.249	0.043
604	1	67	VAL	CG2	C	20.157	0.000
605	1	67	VAL	N	N	122.662	0.147
606	1	68	LEU	H	H	8.315	0.105
607	1	68	LEU	HA	H	4.414	0.030
608	1	68	LEU	HB2	H	1.668	0.025
609	1	68	LEU	HB3	H	1.625	0.000
610	1	68	LEU	HG	H	1.444	0.000
611	1	68	LEU	HD11	H	0.964	0.013
612	1	68	LEU	HD12	H	0.964	0.013
613	1	68	LEU	HD13	H	0.964	0.013
614	1	68	LEU	C	C	176.727	0.000
615	1	68	LEU	CA	C	54.498	0.054
616	1	68	LEU	CB	C	42.111	0.006
617	1	69	SER	H	H	8.592	0.105
618	1	69	SER	HA	H	4.509	0.083
619	1	69	SER	HB2	H	3.956	0.017
620	1	69	SER	HB3	H	3.919	0.016
621	1	69	SER	C	C	175.025	0.063
622	1	69	SER	CA	C	58.533	0.084
623	1	69	SER	CB	C	63.618	0.012
624	1	69	SER	N	N	116.786	0.170
625	1	70	SER	H	H	8.598	0.094
626	1	70	SER	HA	H	4.493	0.034
627	1	70	SER	HB2	H	3.918	0.029
628	1	70	SER	HB3	H	3.918	0.029
629	1	70	SER	C	C	174.702	0.000
630	1	70	SER	CA	C	58.498	0.022
631	1	70	SER	CB	C	63.569	0.061
632	1	70	SER	N	N	117.919	0.160
633	1	71	LEU	H	H	8.358	0.108
634	1	71	LEU	HA	H	4.441	0.097
635	1	71	LEU	HB2	H	1.680	0.023
636	1	71	LEU	HB3	H	1.627	0.000
637	1	71	LEU	HG	H	1.593	0.000
638	1	71	LEU	HD11	H	0.965	0.000
639	1	71	LEU	HD12	H	0.965	0.000
640	1	71	LEU	HD13	H	0.965	0.000
641	1	71	LEU	HD21	H	0.955	0.000
642	1	71	LEU	HD22	H	0.955	0.000
643	1	71	LEU	HD23	H	0.955	0.000
644	1	71	LEU	C	C	177.467	0.000
645	1	71	LEU	CA	C	55.357	0.000
646	1	71	LEU	CB	C	42.090	0.038
647	1	71	LEU	CD1	C	17.671	0.000
648	1	71	LEU	N	N	123.295	0.162
649	1	72	GLN	H	H	8.484	0.098
650	1	72	GLN	HA	H	4.373	0.037
651	1	72	GLN	HB2	H	2.062	0.006
652	1	72	GLN	HB3	H	2.062	0.006
653	1	72	GLN	HG2	H	2.438	0.040
654	1	72	GLN	HG3	H	2.438	0.040
655	1	72	GLN	C	C	175.727	0.000
656	1	72	GLN	CA	C	55.240	0.014
657	1	72	GLN	CB	C	29.309	0.156
658	1	72	GLN	CG	C	33.843	0.000
659	1	72	GLN	N	N	120.805	0.195
660	1	73	ARG	H	H	8.640	0.105
661	1	73	ARG	HA	H	4.397	0.000
662	1	73	ARG	HB2	H	1.809	0.000
663	1	73	ARG	HB3	H	1.809	0.000
664	1	73	ARG	HG2	H	1.719	0.000
665	1	73	ARG	HG3	H	1.719	0.000
666	1	73	ARG	N	N	123.630	0.196
667	1	74	PRO	HA	H	4.479	0.011
668	1	74	PRO	HB2	H	2.347	0.006
669	1	74	PRO	HB3	H	1.957	0.015
670	1	74	PRO	HG2	H	2.056	0.003
671	1	74	PRO	HG3	H	2.056	0.003
672	1	74	PRO	C	C	176.957	0.000
673	1	74	PRO	CA	C	63.359	0.060
674	1	74	PRO	CB	C	32.100	0.037
675	1	74	PRO	CG	C	27.404	0.000
676	1	75	ASN	H	H	8.996	0.075
677	1	75	ASN	HA	H	4.698	0.000
678	1	75	ASN	HB2	H	2.874	0.013
679	1	75	ASN	HB3	H	2.874	0.013
680	1	75	ASN	C	C	176.048	0.010
681	1	75	ASN	CA	C	53.358	0.000
682	1	75	ASN	CB	C	38.761	0.020
683	1	75	ASN	N	N	119.410	0.165
684	1	76	GLY	H	H	8.747	0.092
685	1	76	GLY	HA2	H	3.997	0.031
686	1	76	GLY	HA3	H	3.997	0.031
687	1	76	GLY	C	C	173.826	0.064
688	1	76	GLY	CA	C	45.316	0.074
689	1	76	GLY	N	N	110.132	0.231
690	1	77	ALA	H	H	8.406	0.027
691	1	77	ALA	HA	H	4.449	0.079
692	1	77	ALA	HB1	H	1.636	0.000
693	1	77	ALA	HB2	H	1.636	0.000
694	1	77	ALA	HB3	H	1.636	0.000
695	1	77	ALA	C	C	177.671	0.005
696	1	77	ALA	CA	C	52.342	0.012
697	1	77	ALA	CB	C	19.341	0.007
698	1	77	ALA	N	N	123.922	0.199
699	1	78	LYS	H	H	8.670	0.105
700	1	78	LYS	HA	H	4.376	0.000
701	1	78	LYS	HB2	H	1.919	0.000
702	1	78	LYS	HB3	H	1.919	0.000
703	1	78	LYS	HG2	H	1.587	0.000
704	1	78	LYS	HG3	H	1.587	0.000
705	1	78	LYS	HE2	H	2.969	0.000
706	1	78	LYS	HE3	H	2.969	0.000
707	1	78	LYS	C	C	175.483	0.005
708	1	78	LYS	CA	C	55.917	0.000
709	1	78	LYS	CB	C	33.191	0.000
710	1	78	LYS	N	N	121.905	0.110
711	1	79	ALA	H	H	8.356	0.095
712	1	79	ALA	HA	H	4.298	0.025
713	1	79	ALA	HB1	H	1.564	0.000
714	1	79	ALA	HB2	H	1.564	0.000
715	1	79	ALA	HB3	H	1.564	0.000
716	1	79	ALA	C	C	174.949	0.000
717	1	87	PHE	H	H	8.286	0.000
718	1	87	PHE	C	C	171.871	0.000
719	1	87	PHE	N	N	128.682	0.000

Release date

2023-05-25

Citation

Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions
Anton, R., Trevino, M., Pantoja-Uceda, D., Felix, S., Babu, M., Cabrita, E., Zweckstetter, M., Tinnefeld, P., Vera, A., Oroz, J.
Nat. Commun. (2024), 15, 1925-1925, PubMed 38431667 , DOI 10.1038/s41467-024-46236-5 , Abstract

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