BMRBj - BMREntryMaster

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err
1	1	2	PRO	HA	H	4.491	0.010
2	1	2	PRO	HB2	H	2.344	0.016
3	1	2	PRO	HB3	H	2.036	0.027
4	1	2	PRO	HG2	H	2.046	0.000
5	1	2	PRO	HG3	H	2.046	0.000
6	1	2	PRO	HD2	H	3.690	0.000
7	1	2	PRO	HD3	H	3.690	0.000
8	1	2	PRO	C	C	177.735	0.000
9	1	2	PRO	CA	C	63.477	0.082
10	1	2	PRO	CB	C	31.969	0.034
11	1	2	PRO	CG	C	26.942	0.000
12	1	2	PRO	CD	C	49.698	0.000
13	1	3	GLY	H	H	8.550	0.002
14	1	3	GLY	HA2	H	3.979	0.035
15	1	3	GLY	HA3	H	3.979	0.035
16	1	3	GLY	C	C	174.418	0.000
17	1	3	GLY	CA	C	45.159	0.047
18	1	3	GLY	N	N	109.373	0.129
19	1	4	GLY	H	H	8.053	0.100
20	1	4	GLY	HA2	H	4.106	0.000
21	1	4	GLY	HA3	H	4.106	0.000
22	1	4	GLY	C	C	172.257	0.000
23	1	4	GLY	N	N	108.663	0.307
24	1	5	PRO	HA	H	4.510	0.021
25	1	5	PRO	HB2	H	2.322	0.000
26	1	5	PRO	HB3	H	2.046	0.005
27	1	5	PRO	HG2	H	2.050	0.000
28	1	5	PRO	HG3	H	2.050	0.000
29	1	5	PRO	HD2	H	3.688	0.000
30	1	5	PRO	HD3	H	3.688	0.000
31	1	5	PRO	C	C	177.882	0.000
32	1	5	PRO	CA	C	63.567	0.073
33	1	5	PRO	CB	C	31.952	0.060
34	1	5	PRO	CG	C	26.959	0.000
35	1	5	PRO	CD	C	49.709	0.000
36	1	5	PRO	N	N	134.492	0.000
37	1	6	GLY	H	H	8.580	0.001
38	1	6	GLY	HA2	H	4.012	0.000
39	1	6	GLY	HA3	H	4.012	0.000
40	1	6	GLY	C	C	174.660	0.000
41	1	6	GLY	CA	C	45.297	0.081
42	1	6	GLY	N	N	109.557	0.149
43	1	7	GLY	H	H	8.185	0.036
44	1	7	GLY	HA2	H	4.036	0.007
45	1	7	GLY	HA3	H	4.036	0.007
46	1	7	GLY	C	C	173.872	0.000
47	1	7	GLY	CA	C	44.932	0.018
48	1	7	GLY	N	N	108.505	0.129
49	1	8	GLU	H	H	8.380	0.031
50	1	8	GLU	HG2	H	2.782	0.000
51	1	8	GLU	HG3	H	2.782	0.000
52	1	8	GLU	C	C	174.899	0.000
53	1	8	GLU	N	N	121.907	0.118
54	1	9	PRO	HA	H	4.459	0.000
55	1	9	PRO	HB2	H	2.324	0.012
56	1	9	PRO	HB3	H	1.985	0.007
57	1	9	PRO	HG2	H	2.085	0.014
58	1	9	PRO	HG3	H	2.085	0.014
59	1	9	PRO	HD2	H	3.746	0.021
60	1	9	PRO	HD3	H	3.746	0.021
61	1	9	PRO	C	C	177.834	0.000
62	1	9	PRO	CA	C	63.573	0.030
63	1	9	PRO	CB	C	31.928	0.114
64	1	9	PRO	CG	C	27.218	0.005
65	1	9	PRO	CD	C	50.693	0.009
66	1	9	PRO	N	N	137.685	0.000
67	1	10	GLY	H	H	8.553	0.004
68	1	10	GLY	HA2	H	3.960	0.036
69	1	10	GLY	HA3	H	3.960	0.036
70	1	10	GLY	C	C	174.527	0.000
71	1	10	GLY	CA	C	45.420	0.099
72	1	10	GLY	N	N	108.970	0.141
73	1	11	LYS	H	H	8.171	0.008
74	1	11	LYS	HA	H	4.364	0.000
75	1	11	LYS	C	C	177.469	0.000
76	1	11	LYS	CA	C	56.257	0.092
77	1	11	LYS	CB	C	33.355	0.000
78	1	11	LYS	N	N	120.817	0.161
79	1	12	GLY	H	H	8.546	0.005
80	1	12	GLY	HA2	H	4.046	0.010
81	1	12	GLY	HA3	H	4.046	0.010
82	1	12	GLY	C	C	175.165	0.000
83	1	12	GLY	CA	C	45.531	0.046
84	1	12	GLY	N	N	109.908	0.249
85	1	13	GLY	H	H	8.362	0.028
86	1	13	GLY	HA2	H	4.050	0.005
87	1	13	GLY	HA3	H	4.050	0.005
88	1	13	GLY	C	C	175.023	0.000
89	1	13	GLY	CA	C	45.610	0.034
90	1	13	GLY	N	N	109.086	0.140
91	1	14	ALA	H	H	8.411	0.003
92	1	14	ALA	HA	H	4.293	0.007
93	1	14	ALA	HB1	H	1.523	0.028
94	1	14	ALA	HB2	H	1.523	0.028
95	1	14	ALA	HB3	H	1.523	0.028
96	1	14	ALA	C	C	179.506	0.000
97	1	14	ALA	CA	C	54.067	0.045
98	1	14	ALA	CB	C	18.703	0.026
99	1	14	ALA	N	N	124.696	0.128
100	1	15	ALA	H	H	8.437	0.003
101	1	15	ALA	HA	H	4.287	0.001
102	1	15	ALA	HB1	H	1.557	0.000
103	1	15	ALA	HB2	H	1.557	0.000
104	1	15	ALA	HB3	H	1.557	0.000
105	1	15	ALA	C	C	179.840	0.000
106	1	15	ALA	CA	C	54.428	0.019
107	1	15	ALA	CB	C	17.977	0.072
108	1	15	ALA	N	N	122.642	0.139
109	1	16	ALA	H	H	8.138	0.037
110	1	16	ALA	HA	H	4.321	0.029
111	1	16	ALA	HB1	H	1.563	0.024
112	1	16	ALA	HB2	H	1.563	0.024
113	1	16	ALA	HB3	H	1.563	0.024
114	1	16	ALA	C	C	179.976	0.000
115	1	16	ALA	CA	C	54.227	0.049
116	1	16	ALA	CB	C	17.857	0.020
117	1	16	ALA	N	N	122.739	0.134
118	1	17	ALA	H	H	8.125	0.044
119	1	17	ALA	HA	H	4.311	0.013
120	1	17	ALA	HB1	H	1.569	0.014
121	1	17	ALA	HB2	H	1.569	0.014
122	1	17	ALA	HB3	H	1.569	0.014
123	1	17	ALA	C	C	180.439	0.000
124	1	17	ALA	CA	C	54.465	0.083
125	1	17	ALA	CB	C	17.997	0.095
126	1	17	ALA	N	N	122.587	0.153
127	1	18	ALA	H	H	8.138	0.040
128	1	18	ALA	HA	H	4.316	0.014
129	1	18	ALA	HB1	H	1.570	0.015
130	1	18	ALA	HB2	H	1.570	0.015
131	1	18	ALA	HB3	H	1.570	0.015
132	1	18	ALA	C	C	180.442	0.000
133	1	18	ALA	CA	C	54.631	0.107
134	1	18	ALA	CB	C	18.053	0.057
135	1	18	ALA	N	N	122.529	0.144
136	1	19	ALA	H	H	8.123	0.043
137	1	19	ALA	HA	H	4.314	0.015
138	1	19	ALA	HB1	H	1.575	0.024
139	1	19	ALA	HB2	H	1.575	0.024
140	1	19	ALA	HB3	H	1.575	0.024
141	1	19	ALA	C	C	180.409	0.000
142	1	19	ALA	CA	C	54.544	0.045
143	1	19	ALA	CB	C	18.070	0.035
144	1	19	ALA	N	N	122.401	0.146
145	1	20	ALA	H	H	8.094	0.027
146	1	20	ALA	HA	H	4.302	0.013
147	1	20	ALA	HB1	H	1.550	0.025
148	1	20	ALA	HB2	H	1.550	0.025
149	1	20	ALA	HB3	H	1.550	0.025
150	1	20	ALA	C	C	180.288	0.000
151	1	20	ALA	CA	C	54.355	0.046
152	1	20	ALA	CB	C	18.165	0.023
153	1	20	ALA	N	N	122.349	0.167
154	1	21	ALA	H	H	8.186	0.033
155	1	21	ALA	HA	H	4.305	0.016
156	1	21	ALA	HB1	H	1.569	0.010
157	1	21	ALA	HB2	H	1.569	0.010
158	1	21	ALA	HB3	H	1.569	0.010
159	1	21	ALA	C	C	180.358	0.000
160	1	21	ALA	CA	C	54.234	0.025
161	1	21	ALA	CB	C	18.051	0.070
162	1	21	ALA	N	N	122.601	0.134
163	1	22	ALA	H	H	8.116	0.083
164	1	22	ALA	HA	H	4.308	0.015
165	1	22	ALA	HB1	H	1.569	0.014
166	1	22	ALA	HB2	H	1.569	0.014
167	1	22	ALA	HB3	H	1.569	0.014
168	1	22	ALA	C	C	180.412	0.000
169	1	22	ALA	CA	C	54.310	0.113
170	1	22	ALA	CB	C	18.052	0.084
171	1	22	ALA	N	N	122.509	0.222
172	1	23	ALA	H	H	8.135	0.032
173	1	23	ALA	HA	H	4.308	0.019
174	1	23	ALA	HB1	H	1.569	0.016
175	1	23	ALA	HB2	H	1.569	0.016
176	1	23	ALA	HB3	H	1.569	0.016
177	1	23	ALA	C	C	180.437	0.000
178	1	23	ALA	CA	C	54.408	0.022
179	1	23	ALA	CB	C	18.080	0.055
180	1	23	ALA	N	N	122.448	0.133
181	1	24	ALA	H	H	8.119	0.027
182	1	24	ALA	HA	H	4.306	0.016
183	1	24	ALA	HB1	H	1.572	0.016
184	1	24	ALA	HB2	H	1.572	0.016
185	1	24	ALA	HB3	H	1.572	0.016
186	1	24	ALA	C	C	180.348	0.000
187	1	24	ALA	CA	C	54.309	0.004
188	1	24	ALA	CB	C	17.948	0.048
189	1	24	ALA	N	N	122.411	0.142
190	1	25	ALA	H	H	8.109	0.028
191	1	25	ALA	HA	H	4.299	0.012
192	1	25	ALA	HB1	H	1.561	0.020
193	1	25	ALA	HB2	H	1.561	0.020
194	1	25	ALA	HB3	H	1.561	0.020
195	1	25	ALA	C	C	180.343	0.000
196	1	25	ALA	CA	C	54.455	0.019
197	1	25	ALA	CB	C	18.041	0.025
198	1	25	ALA	N	N	122.339	0.147
199	1	26	ALA	H	H	8.088	0.021
200	1	26	ALA	HA	H	4.295	0.017
201	1	26	ALA	HB1	H	1.565	0.014
202	1	26	ALA	HB2	H	1.565	0.014
203	1	26	ALA	HB3	H	1.565	0.014
204	1	26	ALA	C	C	180.242	0.000
205	1	26	ALA	CA	C	54.314	0.053
206	1	26	ALA	CB	C	18.024	0.032
207	1	26	ALA	N	N	122.265	0.146
208	1	27	ALA	H	H	8.065	0.033
209	1	27	ALA	HA	H	4.302	0.021
210	1	27	ALA	HB1	H	1.571	0.020
211	1	27	ALA	HB2	H	1.571	0.020
212	1	27	ALA	HB3	H	1.571	0.020
213	1	27	ALA	C	C	180.099	0.000
214	1	27	ALA	CA	C	54.258	0.086
215	1	27	ALA	CB	C	18.054	0.057
216	1	27	ALA	N	N	122.157	0.144
217	1	28	ALA	H	H	8.040	0.043
218	1	28	ALA	HA	H	4.294	0.016
219	1	28	ALA	HB1	H	1.543	0.019
220	1	28	ALA	HB2	H	1.543	0.019
221	1	28	ALA	HB3	H	1.543	0.019
222	1	28	ALA	C	C	179.946	0.000
223	1	28	ALA	CA	C	54.159	0.093
224	1	28	ALA	CB	C	18.131	0.006
225	1	28	ALA	N	N	121.971	0.138
226	1	29	ALA	H	H	7.993	0.033
227	1	29	ALA	HA	H	4.286	0.018
228	1	29	ALA	HB1	H	1.533	0.020
229	1	29	ALA	HB2	H	1.533	0.020
230	1	29	ALA	HB3	H	1.533	0.020
231	1	29	ALA	C	C	179.707	0.000
232	1	29	ALA	CA	C	53.993	0.093
233	1	29	ALA	CB	C	18.169	0.026
234	1	29	ALA	N	N	121.769	0.146
235	1	30	ALA	H	H	7.958	0.048
236	1	30	ALA	HA	H	4.300	0.019
237	1	30	ALA	HB1	H	1.542	0.019
238	1	30	ALA	HB2	H	1.542	0.019
239	1	30	ALA	HB3	H	1.542	0.019
240	1	30	ALA	C	C	179.437	0.000
241	1	30	ALA	CA	C	53.749	0.009
242	1	30	ALA	CB	C	18.379	0.084
243	1	30	ALA	N	N	121.471	0.153
244	1	31	ALA	H	H	7.921	0.049
245	1	31	ALA	HA	H	4.289	0.020
246	1	31	ALA	HB1	H	1.536	0.018
247	1	31	ALA	HB2	H	1.536	0.018
248	1	31	ALA	HB3	H	1.536	0.018
249	1	31	ALA	C	C	179.010	0.000
250	1	31	ALA	CA	C	53.557	0.080
251	1	31	ALA	CB	C	18.420	0.054
252	1	31	ALA	N	N	121.371	0.184
253	1	32	ALA	H	H	7.903	0.057
254	1	32	ALA	HA	H	4.327	0.020
255	1	32	ALA	HB1	H	1.532	0.016
256	1	32	ALA	HB2	H	1.532	0.016
257	1	32	ALA	HB3	H	1.532	0.016
258	1	32	ALA	C	C	178.446	0.000
259	1	32	ALA	CA	C	53.230	0.025
260	1	32	ALA	CB	C	18.554	0.003
261	1	32	ALA	N	N	121.425	0.173
262	1	33	ALA	H	H	7.909	0.032
263	1	33	ALA	HA	H	4.380	0.055
264	1	33	ALA	HB1	H	1.524	0.023
265	1	33	ALA	HB2	H	1.524	0.023
266	1	33	ALA	HB3	H	1.524	0.023
267	1	33	ALA	C	C	178.669	0.000
268	1	33	ALA	CA	C	52.872	0.023
269	1	33	ALA	CB	C	19.126	0.132
270	1	33	ALA	N	N	121.681	0.187
271	1	34	GLY	H	H	8.151	0.040
272	1	34	GLY	HA2	H	4.020	0.039
273	1	34	GLY	HA3	H	4.020	0.039
274	1	34	GLY	C	C	174.978	0.000
275	1	34	GLY	CA	C	45.246	0.015
276	1	34	GLY	N	N	107.282	0.400
277	1	35	GLY	H	H	8.065	0.028
278	1	35	GLY	HA2	H	4.054	0.043
279	1	35	GLY	HA3	H	4.054	0.043
280	1	35	GLY	C	C	174.398	0.000
281	1	35	GLY	CA	C	45.386	0.113
282	1	35	GLY	N	N	108.716	0.281
283	1	36	LEU	H	H	8.113	0.040
284	1	36	LEU	HA	H	4.131	0.063
285	1	36	LEU	HB2	H	2.147	0.000
286	1	36	LEU	HB3	H	2.147	0.000
287	1	36	LEU	HG	H	1.704	0.000
288	1	36	LEU	HD11	H	0.974	0.000
289	1	36	LEU	HD12	H	0.974	0.000
290	1	36	LEU	HD13	H	0.974	0.000
291	1	36	LEU	HD21	H	0.973	0.000
292	1	36	LEU	HD22	H	0.973	0.000
293	1	36	LEU	HD23	H	0.973	0.000
294	1	36	LEU	CA	C	54.986	0.000
295	1	36	LEU	CB	C	42.424	0.000
296	1	36	LEU	N	N	121.657	0.107
297	1	37	ALA	H	H	8.329	0.043
298	1	37	ALA	HA	H	4.298	0.043
299	1	37	ALA	HB1	H	1.558	0.102
300	1	37	ALA	HB2	H	1.558	0.102
301	1	37	ALA	HB3	H	1.558	0.102
302	1	37	ALA	C	C	177.669	0.000
303	1	37	ALA	CA	C	52.606	0.012
304	1	37	ALA	CB	C	18.682	0.314
305	1	37	ALA	N	N	125.720	0.171
306	1	38	ALA	H	H	8.126	0.033
307	1	38	ALA	HA	H	4.320	0.011
308	1	38	ALA	HB1	H	1.452	0.040
309	1	38	ALA	HB2	H	1.452	0.040
310	1	38	ALA	HB3	H	1.452	0.040
311	1	38	ALA	C	C	177.605	0.000
312	1	38	ALA	CA	C	52.401	0.081
313	1	38	ALA	CB	C	19.148	0.040
314	1	38	ALA	N	N	123.012	0.152
315	1	39	ALA	H	H	8.193	0.033
316	1	39	ALA	HA	H	4.346	0.008
317	1	39	ALA	HB1	H	1.450	0.020
318	1	39	ALA	HB2	H	1.450	0.020
319	1	39	ALA	HB3	H	1.450	0.020
320	1	39	ALA	C	C	178.171	0.000
321	1	39	ALA	CA	C	52.649	0.091
322	1	39	ALA	CB	C	19.228	0.107
323	1	39	ALA	N	N	123.206	0.192
324	1	40	GLY	H	H	8.246	0.081
325	1	40	GLY	HA2	H	4.006	0.025
326	1	40	GLY	HA3	H	4.006	0.025
327	1	40	GLY	C	C	174.288	0.000
328	1	40	GLY	CA	C	45.208	0.043
329	1	40	GLY	N	N	107.809	0.241
330	1	41	GLY	H	H	8.062	0.033
331	1	41	GLY	HA2	H	4.149	0.015
332	1	41	GLY	HA3	H	4.149	0.015
333	1	41	GLY	C	C	171.944	0.000
334	1	41	GLY	N	N	108.638	0.149
335	1	42	PRO	HA	H	4.419	0.033
336	1	42	PRO	HB2	H	2.261	0.031
337	1	42	PRO	HB3	H	2.014	0.016
338	1	42	PRO	HG2	H	2.108	0.000
339	1	42	PRO	HG3	H	2.108	0.000
340	1	42	PRO	HD2	H	3.580	0.073
341	1	42	PRO	HD3	H	3.580	0.073
342	1	42	PRO	C	C	177.883	0.000
343	1	42	PRO	CA	C	63.452	0.034
344	1	42	PRO	CB	C	31.927	0.082
345	1	42	PRO	CG	C	26.990	0.000
346	1	42	PRO	CD	C	49.638	0.000
347	1	42	PRO	N	N	134.055	0.000
348	1	43	GLY	H	H	8.525	0.028
349	1	43	GLY	HA2	H	3.989	0.017
350	1	43	GLY	HA3	H	3.989	0.017
351	1	43	GLY	C	C	174.264	0.000
352	1	43	GLY	CA	C	45.364	0.052
353	1	43	GLY	N	N	109.587	0.178
354	1	44	GLN	H	H	8.199	0.031
355	1	44	GLN	HA	H	4.382	0.015
356	1	44	GLN	HB2	H	2.150	0.015
357	1	44	GLN	HB3	H	1.984	0.012
358	1	44	GLN	HG2	H	2.366	0.021
359	1	44	GLN	HG3	H	2.366	0.021
360	1	44	GLN	CA	C	55.832	0.070
361	1	44	GLN	CB	C	29.385	0.054
362	1	44	GLN	CG	C	33.773	0.000
363	1	44	GLN	N	N	119.618	0.183
364	1	45	GLY	H	H	8.453	0.022
365	1	45	GLY	HA2	H	3.974	0.014
366	1	45	GLY	HA3	H	3.974	0.014
367	1	45	GLY	C	C	173.590	0.000
368	1	45	GLY	CA	C	45.317	0.079
369	1	45	GLY	N	N	110.075	0.254
370	1	46	TRP	H	H	8.021	0.038
371	1	46	TRP	HA	H	4.624	0.087
372	1	46	TRP	HB2	H	3.309	0.046
373	1	46	TRP	HB3	H	3.146	0.013
374	1	46	TRP	C	C	175.204	0.000
375	1	46	TRP	CA	C	57.409	0.023
376	1	46	TRP	CB	C	29.797	0.002
377	1	46	TRP	N	N	121.105	0.115
378	1	47	ALA	H	H	7.920	0.038
379	1	47	ALA	HA	H	4.673	0.000
380	1	47	ALA	HB1	H	1.283	0.000
381	1	47	ALA	HB2	H	1.283	0.000
382	1	47	ALA	HB3	H	1.283	0.000
383	1	47	ALA	C	C	174.452	0.000
384	1	47	ALA	N	N	127.876	0.172
385	1	48	PRO	HA	H	4.522	0.018
386	1	48	PRO	HB2	H	2.312	0.013
387	1	48	PRO	HB3	H	2.050	0.022
388	1	48	PRO	HG2	H	2.043	0.000
389	1	48	PRO	HG3	H	2.043	0.000
390	1	48	PRO	HD2	H	3.648	0.049
391	1	48	PRO	HD3	H	3.648	0.049
392	1	48	PRO	C	C	177.361	0.000
393	1	48	PRO	CA	C	63.205	0.023
394	1	48	PRO	CB	C	32.138	0.080
395	1	48	PRO	CG	C	26.900	0.000
396	1	48	PRO	CD	C	49.670	0.000
397	1	48	PRO	N	N	134.444	0.000
398	1	49	GLY	H	H	8.299	0.042
399	1	49	GLY	HA2	H	4.140	0.029
400	1	49	GLY	HA3	H	4.140	0.029
401	1	49	GLY	C	C	171.678	0.000
402	1	49	GLY	N	N	109.425	0.124
403	1	50	PRO	HA	H	4.504	0.023
404	1	50	PRO	HB2	H	2.307	0.012
405	1	50	PRO	HB3	H	2.033	0.016
406	1	50	PRO	HG2	H	2.053	0.000
407	1	50	PRO	HG3	H	2.053	0.000
408	1	50	PRO	HD2	H	3.671	0.085
409	1	50	PRO	HD3	H	3.671	0.085
410	1	50	PRO	C	C	177.177	0.000
411	1	50	PRO	CA	C	63.200	0.109
412	1	50	PRO	CB	C	32.271	0.000
413	1	50	PRO	CG	C	27.073	0.000
414	1	50	PRO	CD	C	45.202	0.000
415	1	50	PRO	N	N	134.273	0.000
416	1	51	GLY	H	H	8.281	0.043
417	1	51	GLY	C	C	171.891	0.000
418	1	51	GLY	N	N	108.794	0.198
419	1	52	PRO	HA	H	4.480	0.012
420	1	52	PRO	HB2	H	2.341	0.019
421	1	52	PRO	HB3	H	2.005	0.018
422	1	52	PRO	HG2	H	2.014	0.000
423	1	52	PRO	HG3	H	2.014	0.000
424	1	52	PRO	HD2	H	3.669	0.000
425	1	52	PRO	HD3	H	3.669	0.000
426	1	52	PRO	CA	C	63.126	0.056
427	1	52	PRO	CB	C	32.123	0.098
428	1	52	PRO	CG	C	27.412	0.000
429	1	52	PRO	N	N	133.886	0.000
430	1	53	ILE	H	H	8.376	0.022
431	1	53	ILE	HA	H	4.346	0.100
432	1	53	ILE	HB	H	1.947	0.023
433	1	53	ILE	HG12	H	1.587	0.016
434	1	53	ILE	HG13	H	0.952	0.000
435	1	53	ILE	HG21	H	1.261	0.017
436	1	53	ILE	HG22	H	1.261	0.017
437	1	53	ILE	HG23	H	1.261	0.017
438	1	53	ILE	HD11	H	0.966	0.028
439	1	53	ILE	HD12	H	0.966	0.028
440	1	53	ILE	HD13	H	0.966	0.028
441	1	53	ILE	C	C	176.674	0.000
442	1	53	ILE	CA	C	61.133	0.005
443	1	53	ILE	CB	C	38.547	0.028
444	1	53	ILE	CG1	C	27.288	0.000
445	1	53	ILE	CG2	C	17.577	0.000
446	1	53	ILE	CD1	C	12.900	0.000
447	1	53	ILE	N	N	121.889	0.100
448	1	54	THR	H	H	8.251	0.047
449	1	54	THR	HA	H	4.436	0.065
450	1	54	THR	HB	H	4.279	0.024
451	1	54	THR	HG21	H	1.226	0.085
452	1	54	THR	HG22	H	1.226	0.085
453	1	54	THR	HG23	H	1.226	0.085
454	1	54	THR	C	C	174.210	0.000
455	1	54	THR	CA	C	61.341	0.025
456	1	54	THR	CB	C	69.870	0.047
457	1	54	THR	CG2	C	21.493	0.000
458	1	54	THR	N	N	118.427	0.157
459	1	55	SER	H	H	8.267	0.023
460	1	55	SER	HA	H	4.533	0.032
461	1	55	SER	HB2	H	3.904	0.030
462	1	55	SER	HB3	H	3.904	0.030
463	1	55	SER	C	C	173.825	0.000
464	1	55	SER	CA	C	57.946	0.010
465	1	55	SER	CB	C	63.903	0.063
466	1	55	SER	N	N	118.571	0.161
467	1	56	ILE	H	H	8.299	0.040
468	1	56	ILE	HA	H	4.564	0.007
469	1	56	ILE	HB	H	1.928	0.000
470	1	56	ILE	HG12	H	1.241	0.000
471	1	56	ILE	HG21	H	1.280	0.282
472	1	56	ILE	HG22	H	1.280	0.282
473	1	56	ILE	HG23	H	1.280	0.282
474	1	56	ILE	HD11	H	0.611	0.019
475	1	56	ILE	HD12	H	0.611	0.019
476	1	56	ILE	HD13	H	0.611	0.019
477	1	56	ILE	C	C	174.706	0.000
478	1	56	ILE	N	N	124.345	0.152
479	1	57	PRO	HA	H	4.480	0.023
480	1	57	PRO	HB2	H	2.338	0.016
481	1	57	PRO	HB3	H	2.052	0.018
482	1	57	PRO	HG2	H	1.952	0.005
483	1	57	PRO	HG3	H	1.952	0.005
484	1	57	PRO	HD2	H	3.746	0.015
485	1	57	PRO	HD3	H	3.746	0.015
486	1	57	PRO	C	C	176.760	0.000
487	1	57	PRO	CA	C	63.308	0.010
488	1	57	PRO	CB	C	32.080	0.115
489	1	57	PRO	CG	C	27.266	0.000
490	1	57	PRO	CD	C	50.950	0.000
491	1	57	PRO	N	N	140.027	0.000
492	1	58	ASP	H	H	8.417	0.039
493	1	58	ASP	HA	H	4.620	0.013
494	1	58	ASP	HB2	H	2.744	0.016
495	1	58	ASP	HB3	H	2.744	0.016
496	1	58	ASP	C	C	176.674	0.000
497	1	58	ASP	CA	C	54.522	0.036
498	1	58	ASP	CB	C	41.241	0.031
499	1	58	ASP	N	N	120.621	0.092
500	1	59	SER	H	H	8.274	0.034
501	1	59	SER	HA	H	4.496	0.028
502	1	59	SER	HB2	H	3.906	0.093
503	1	59	SER	HB3	H	3.906	0.093
504	1	59	SER	C	C	174.842	0.000
505	1	59	SER	CA	C	58.472	0.000
506	1	59	SER	CB	C	63.686	0.025
507	1	59	SER	N	N	115.767	0.138
508	1	60	LEU	H	H	8.331	0.032
509	1	60	LEU	HA	H	4.456	0.028
510	1	60	LEU	HB2	H	1.756	0.009
511	1	60	LEU	HB3	H	1.756	0.009
512	1	60	LEU	HG	H	1.669	0.000
513	1	60	LEU	HD11	H	0.924	0.000
514	1	60	LEU	HD12	H	0.924	0.000
515	1	60	LEU	HD13	H	0.924	0.000
516	1	60	LEU	HD21	H	0.937	0.000
517	1	60	LEU	HD22	H	0.937	0.000
518	1	60	LEU	HD23	H	0.937	0.000
519	1	60	LEU	C	C	177.906	0.000
520	1	60	LEU	CA	C	55.400	0.044
521	1	60	LEU	CB	C	42.198	0.052
522	1	60	LEU	CG	C	27.006	0.000
523	1	60	LEU	CD1	C	24.741	0.000
524	1	60	LEU	CD2	C	23.348	0.000
525	1	60	LEU	N	N	123.765	0.170
526	1	61	GLY	H	H	8.329	0.031
527	1	61	GLY	HA2	H	4.068	0.058
528	1	61	GLY	HA3	H	4.068	0.058
529	1	61	GLY	C	C	174.340	0.000
530	1	61	GLY	CA	C	45.234	0.088
531	1	61	GLY	N	N	108.907	0.155
532	1	62	GLY	H	H	8.095	0.029
533	1	62	GLY	HA2	H	4.076	0.000
534	1	62	GLY	HA3	H	4.076	0.000
535	1	62	GLY	N	N	108.941	0.090
536	1	63	PRO	HA	H	4.402	0.023
537	1	63	PRO	HB2	H	2.187	0.018
538	1	63	PRO	HB3	H	1.686	0.034
539	1	63	PRO	HG2	H	1.949	0.003
540	1	63	PRO	HG3	H	1.949	0.003
541	1	63	PRO	HD2	H	3.541	0.000
542	1	63	PRO	HD3	H	3.541	0.000
543	1	63	PRO	C	C	176.965	0.000
544	1	63	PRO	CA	C	63.257	0.091
545	1	63	PRO	CB	C	31.745	0.229
546	1	63	PRO	CG	C	26.885	0.000
547	1	64	PHE	H	H	8.239	0.018
548	1	64	PHE	HA	H	4.699	0.042
549	1	64	PHE	HB2	H	3.283	0.018
550	1	64	PHE	HB3	H	3.057	0.017
551	1	64	PHE	C	C	175.481	0.000
552	1	64	PHE	CA	C	57.194	0.181
553	1	64	PHE	CB	C	39.100	0.034
554	1	64	PHE	N	N	119.274	0.358
555	1	65	ALA	H	H	7.974	0.035
556	1	65	ALA	HA	H	4.368	0.017
557	1	65	ALA	HB1	H	1.419	0.032
558	1	65	ALA	HB2	H	1.419	0.032
559	1	65	ALA	HB3	H	1.419	0.032
560	1	65	ALA	C	C	177.259	0.000
561	1	65	ALA	CA	C	52.424	0.086
562	1	65	ALA	CB	C	19.423	0.007
563	1	65	ALA	N	N	125.111	0.125
564	1	66	SER	H	H	8.218	0.026
565	1	66	SER	HA	H	4.510	0.081
566	1	66	SER	HB2	H	3.905	0.014
567	1	66	SER	HB3	H	3.905	0.014
568	1	66	SER	CA	C	58.162	0.000
569	1	66	SER	CB	C	63.871	0.073
570	1	66	SER	N	N	115.342	0.197
571	1	67	VAL	H	H	8.200	0.003
572	1	67	VAL	HA	H	4.215	0.043
573	1	67	VAL	HB	H	2.169	0.000
574	1	67	VAL	HG11	H	0.966	0.008
575	1	67	VAL	HG12	H	0.966	0.008
576	1	67	VAL	HG13	H	0.966	0.008
577	1	67	VAL	HG21	H	0.975	0.000
578	1	67	VAL	HG22	H	0.975	0.000
579	1	67	VAL	HG23	H	0.975	0.000
580	1	67	VAL	C	C	175.142	0.000
581	1	67	VAL	CA	C	62.198	0.179
582	1	67	VAL	CB	C	32.709	0.058
583	1	67	VAL	CG1	C	21.281	0.000
584	1	67	VAL	CG2	C	20.036	0.000
585	1	67	VAL	N	N	122.238	0.149
586	1	68	LEU	H	H	7.885	0.025
587	1	68	LEU	HA	H	4.580	0.000
588	1	68	LEU	HB2	H	1.729	0.000
589	1	68	LEU	HB3	H	1.729	0.000
590	1	68	LEU	CA	C	54.514	0.043
591	1	68	LEU	CB	C	41.243	0.048
592	1	69	SER	H	H	8.239	0.025
593	1	69	SER	HA	H	4.542	0.065
594	1	69	SER	HB2	H	3.854	0.033
595	1	69	SER	HB3	H	3.854	0.033
596	1	69	SER	CA	C	55.030	0.000
597	1	69	SER	CB	C	63.036	0.000
598	1	69	SER	N	N	115.764	0.128
599	1	70	SER	H	H	8.294	0.003
600	1	70	SER	N	N	117.318	0.000
601	1	71	LEU	H	H	8.019	0.000
602	1	71	LEU	HA	H	4.367	0.000
603	1	71	LEU	HB2	H	1.661	0.000
604	1	71	LEU	HB3	H	1.661	0.000
605	1	71	LEU	HG	H	1.681	0.000
606	1	71	LEU	CA	C	55.481	0.041
607	1	71	LEU	CB	C	45.152	0.000
608	1	71	LEU	N	N	122.960	0.000
609	1	72	GLN	H	H	8.149	0.002
610	1	72	GLN	HA	H	4.481	0.000
611	1	72	GLN	N	N	120.219	0.097
612	1	73	ARG	H	H	8.356	0.002
613	1	73	ARG	HA	H	4.479	0.000
614	1	73	ARG	HB2	H	1.756	0.000
615	1	73	ARG	HB3	H	1.756	0.000
616	1	73	ARG	HD2	H	3.389	0.000
617	1	73	ARG	HD3	H	3.389	0.000
618	1	73	ARG	N	N	123.629	0.000
619	1	76	GLY	HA2	H	4.037	0.000
620	1	76	GLY	HA3	H	4.037	0.000
621	1	76	GLY	CA	C	45.561	0.000
622	1	77	ALA	H	H	8.019	0.010
623	1	77	ALA	HA	H	4.397	0.000
624	1	77	ALA	HB1	H	1.643	0.000
625	1	77	ALA	HB2	H	1.643	0.000
626	1	77	ALA	HB3	H	1.643	0.000
627	1	77	ALA	CA	C	55.314	0.000
628	1	77	ALA	CB	C	19.071	0.008
629	1	77	ALA	N	N	124.141	0.046
630	1	78	LYS	H	H	8.332	0.003
631	1	78	LYS	CB	C	32.941	0.000
632	1	78	LYS	N	N	121.317	0.151
633	1	79	ALA	H	H	8.188	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

Entries sharing articles BMRB: 1 entries Detail

BMRB: 51978 released on 2023-05-25
Title Backbone 1H, 13C, and 15N Chemical Shift Assignments for human PHOX2B C-terminal domain at 278K

Related entities 1. PHOX2B C-terminal domain small oligomer, : 3 entities Detail

Experiments performed 5 experiments Detail

#	Name	Isotope labeling	Concentration
1	human PHOX2B C-terminal domain	[U-99% 13C; U-99% 15N]	0.5 mM
2	potassium phosphate	natural abundance	5 mM
3	sodium chloride	natural abundance	10 mM
4	beta-mercaptoethanol	natural abundance	2 mM

#	Name	Isotope labeling	Concentration
1	human PHOX2B C-terminal domain	[U-99% 13C; U-99% 15N]	0.5 mM
2	potassium phosphate	natural abundance	5 mM
3	sodium chloride	natural abundance	10 mM
4	beta-mercaptoethanol	natural abundance	2 mM

#	Name	Isotope labeling	Concentration
1	human PHOX2B C-terminal domain	[U-99% 13C; U-99% 15N]	0.5 mM
2	potassium phosphate	natural abundance	5 mM
3	sodium chloride	natural abundance	10 mM
4	beta-mercaptoethanol	natural abundance	2 mM

#	Name	Isotope labeling	Concentration
1	human PHOX2B C-terminal domain	[U-99% 13C; U-99% 15N]	0.5 mM
2	potassium phosphate	natural abundance	5 mM
3	sodium chloride	natural abundance	10 mM
4	beta-mercaptoethanol	natural abundance	2 mM

#	Name	Isotope labeling	Concentration
1	human PHOX2B C-terminal domain	[U-99% 13C; U-99% 15N]	0.5 mM
2	potassium phosphate	natural abundance	5 mM
3	sodium chloride	natural abundance	10 mM
4	beta-mercaptoethanol	natural abundance	2 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr51979_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr51979_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	633		87.4 (chain: 1, length: 87)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 87, Sequence coverage: 87.4%
- Total number of assignments
  - ¹H chemical shifts: 361
  - ¹³C chemical shifts: 201
  - ¹⁵N chemical shifts: 71
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
5	PRO	N	134.492
9	PRO	N	137.685
42	PRO	N	134.055
48	PRO	N	134.444
50	PRO	N	134.273
52	PRO	N	133.886
57	PRO	N	140.027

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	408	287	70.3
¹³C chemical shifts	319	201	63.0
¹⁵N chemical shifts	82	64	78.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	183	154	84.2
¹³C chemical shifts	174	124	71.3
¹⁵N chemical shifts	77	64	83.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	225	133	59.1
¹³C chemical shifts	145	77	53.1
¹⁵N chemical shifts	5	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	48	37	77.1
¹³C chemical shifts	48	32	66.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	16	0	0.0
¹³C chemical shifts	15	0	0.0
¹⁵N chemical shifts	1	0	0.0

Keywords PHOX2B, CCHS, phase transitions, alternative structures

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BMRB: 51979

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. PHOX2B C-terminal domain small oligomer, : 3 entities Detail

Experiments performed 5 experiments Detail

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Chemical shift validation 3 contents Detail