BMRBj - BMREntryMaster

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	9	SER	H	H	8.575	0.020	1
2	1	9	SER	HA	H	4.420	0.020	1
3	1	9	SER	HB2	H	4.791	0.020	2
4	1	9	SER	HB3	H	4.114	0.020	2
5	1	9	SER	CA	C	58.592	0.400	1
6	1	9	SER	CB	C	64.247	0.400	1
7	1	9	SER	N	N	119.072	0.400	1
8	1	10	ILE	H	H	8.124	0.020	1
9	1	10	ILE	HA	H	3.386	0.020	1
10	1	10	ILE	HB	H	1.081	0.020	1
11	1	10	ILE	HG12	H	0.210	0.020	2
12	1	10	ILE	HG13	H	0.210	0.020	2
13	1	10	ILE	HG21	H	-0.170	0.020	1
14	1	10	ILE	HG22	H	-0.170	0.020	1
15	1	10	ILE	HG23	H	-0.170	0.020	1
16	1	10	ILE	HD11	H	0.775	0.020	1
17	1	10	ILE	HD12	H	0.775	0.020	1
18	1	10	ILE	HD13	H	0.775	0.020	1
19	1	10	ILE	CA	C	64.927	0.400	1
20	1	10	ILE	CB	C	37.220	0.400	1
21	1	10	ILE	N	N	124.259	0.400	1
22	1	11	VAL	H	H	7.934	0.020	1
23	1	11	VAL	HA	H	3.600	0.020	1
24	1	11	VAL	HB	H	1.935	0.020	1
25	1	11	VAL	HG11	H	1.068	0.020	2
26	1	11	VAL	HG12	H	1.068	0.020	2
27	1	11	VAL	HG13	H	1.068	0.020	2
28	1	11	VAL	HG21	H	0.924	0.020	2
29	1	11	VAL	HG22	H	0.924	0.020	2
30	1	11	VAL	HG23	H	0.924	0.020	2
31	1	11	VAL	CA	C	66.495	0.400	1
32	1	11	VAL	CB	C	31.862	0.400	1
33	1	11	VAL	N	N	119.861	0.400	1
34	1	12	SER	H	H	7.742	0.020	1
35	1	12	SER	HA	H	4.237	0.020	1
36	1	12	SER	HB2	H	3.848	0.020	2
37	1	12	SER	HB3	H	3.848	0.020	2
38	1	12	SER	CA	C	61.037	0.400	1
39	1	12	SER	CB	C	62.313	0.400	1
40	1	12	SER	N	N	116.725	0.400	1
41	1	13	PHE	H	H	7.674	0.020	1
42	1	13	PHE	HA	H	4.385	0.020	1
43	1	13	PHE	HB2	H	3.087	0.020	2
44	1	13	PHE	HB3	H	2.868	0.020	2
45	1	13	PHE	HD1	H	6.927	0.020	1
46	1	13	PHE	HD2	H	6.927	0.020	1
47	1	13	PHE	HE1	H	6.997	0.020	1
48	1	13	PHE	HE2	H	6.997	0.020	1
49	1	13	PHE	CA	C	59.420	0.400	1
50	1	13	PHE	CB	C	40.082	0.400	1
51	1	13	PHE	N	N	124.249	0.400	1
52	1	14	PHE	H	H	8.920	0.020	1
53	1	14	PHE	HA	H	4.077	0.020	1
54	1	14	PHE	HB2	H	3.135	0.020	2
55	1	14	PHE	HB3	H	2.521	0.020	2
56	1	14	PHE	HD1	H	6.680	0.020	1
57	1	14	PHE	HD2	H	6.680	0.020	1
58	1	14	PHE	HE1	H	6.770	0.020	1
59	1	14	PHE	HE2	H	6.770	0.020	1
60	1	14	PHE	HZ	H	5.817	0.020	1
61	1	14	PHE	CA	C	58.055	0.400	1
62	1	14	PHE	CB	C	35.756	0.400	1
63	1	14	PHE	N	N	116.071	0.400	1
64	1	15	ALA	H	H	7.875	0.020	1
65	1	15	ALA	HA	H	4.216	0.020	1
66	1	15	ALA	HB1	H	1.538	0.020	1
67	1	15	ALA	HB2	H	1.538	0.020	1
68	1	15	ALA	HB3	H	1.538	0.020	1
69	1	15	ALA	CA	C	55.274	0.400	1
70	1	15	ALA	CB	C	17.613	0.400	1
71	1	15	ALA	N	N	123.039	0.400	1
72	1	16	ARG	H	H	7.724	0.020	1
73	1	16	ARG	HA	H	4.145	0.020	1
74	1	16	ARG	HB2	H	2.012	0.020	2
75	1	16	ARG	HB3	H	1.942	0.020	2
76	1	16	ARG	HG2	H	1.785	0.020	2
77	1	16	ARG	HG3	H	1.688	0.020	2
78	1	16	ARG	HD2	H	3.255	0.020	2
79	1	16	ARG	HD3	H	3.255	0.020	2
80	1	16	ARG	CA	C	58.988	0.400	1
81	1	16	ARG	CB	C	29.887	0.400	1
82	1	16	ARG	N	N	118.678	0.400	1
83	1	17	LEU	H	H	7.423	0.020	1
84	1	17	LEU	HA	H	4.175	0.020	1
85	1	17	LEU	HB2	H	1.512	0.020	2
86	1	17	LEU	HB3	H	1.512	0.020	2
87	1	17	LEU	HG	H	1.370	0.020	1
88	1	17	LEU	HD11	H	0.606	0.020	2
89	1	17	LEU	HD12	H	0.606	0.020	2
90	1	17	LEU	HD13	H	0.606	0.020	2
91	1	17	LEU	HD21	H	0.155	0.020	2
92	1	17	LEU	HD22	H	0.155	0.020	2
93	1	17	LEU	HD23	H	0.155	0.020	2
94	1	17	LEU	CA	C	55.003	0.400	1
95	1	17	LEU	CB	C	43.647	0.400	1
96	1	17	LEU	N	N	116.332	0.400	1
97	1	18	GLY	H	H	7.723	0.020	1
98	1	18	GLY	HA2	H	4.046	0.020	2
99	1	18	GLY	HA3	H	4.194	0.020	2
100	1	18	GLY	CA	C	46.271	0.400	1
101	1	18	GLY	N	N	106.933	0.400	1
102	1	19	CYS	H	H	8.244	0.020	1
103	1	19	CYS	HA	H	4.639	0.020	1
104	1	19	CYS	HB2	H	2.171	0.020	2
105	1	19	CYS	HB3	H	2.171	0.020	2
106	1	19	CYS	CA	C	56.387	0.400	1
107	1	19	CYS	CB	C	28.399	0.400	1
108	1	19	CYS	N	N	114.893	0.400	1
109	1	21	SER	H	H	7.689	0.020	1
110	1	21	SER	CA	C	60.752	0.400	1
111	1	21	SER	CB	C	62.401	0.400	1
112	1	21	SER	N	N	115.848	0.400	1
113	1	22	CYS	H	H	7.860	0.020	1
114	1	22	CYS	HA	H	4.813	0.020	1
115	1	22	CYS	HB2	H	2.913	0.020	2
116	1	22	CYS	HB3	H	2.753	0.020	2
117	1	22	CYS	CA	C	59.582	0.400	1
118	1	22	CYS	CB	C	28.376	0.400	1
119	1	22	CYS	N	N	117.271	0.400	1
120	1	23	LEU	H	H	7.765	0.020	1
121	1	23	LEU	HA	H	4.112	0.020	1
122	1	23	LEU	HB2	H	1.832	0.020	2
123	1	23	LEU	HB3	H	1.832	0.020	2
124	1	23	LEU	HG	H	1.920	0.020	1
125	1	23	LEU	HD11	H	0.901	0.020	2
126	1	23	LEU	HD12	H	0.901	0.020	2
127	1	23	LEU	HD13	H	0.901	0.020	2
128	1	23	LEU	HD21	H	0.901	0.020	2
129	1	23	LEU	HD22	H	0.901	0.020	2
130	1	23	LEU	HD23	H	0.901	0.020	2
131	1	23	LEU	CA	C	59.527	0.400	1
132	1	23	LEU	CB	C	43.102	0.400	1
133	1	23	LEU	N	N	122.223	0.400	1
134	1	24	ASP	H	H	8.878	0.020	1
135	1	24	ASP	HA	H	4.605	0.020	1
136	1	24	ASP	HB2	H	2.481	0.020	2
137	1	24	ASP	HB3	H	2.481	0.020	2
138	1	24	ASP	CA	C	57.227	0.400	1
139	1	24	ASP	CB	C	39.963	0.400	1
140	1	24	ASP	N	N	117.190	0.400	1
141	1	25	TYR	H	H	7.497	0.020	1
142	1	25	TYR	HA	H	4.137	0.020	1
143	1	25	TYR	HB2	H	2.928	0.020	2
144	1	25	TYR	HB3	H	2.833	0.020	2
145	1	25	TYR	HD1	H	7.300	0.020	1
146	1	25	TYR	HD2	H	7.300	0.020	1
147	1	25	TYR	HE1	H	6.896	0.020	1
148	1	25	TYR	HE2	H	6.896	0.020	1
149	1	25	TYR	CA	C	61.020	0.400	1
150	1	25	TYR	CB	C	38.399	0.400	1
151	1	25	TYR	N	N	116.565	0.400	1
152	1	26	PHE	H	H	8.034	0.020	1
153	1	26	PHE	HA	H	4.332	0.020	1
154	1	26	PHE	HB2	H	3.236	0.020	2
155	1	26	PHE	HB3	H	3.236	0.020	2
156	1	26	PHE	HD1	H	7.531	0.020	1
157	1	26	PHE	HD2	H	7.531	0.020	1
158	1	26	PHE	HE1	H	7.205	0.020	1
159	1	26	PHE	HE2	H	7.205	0.020	1
160	1	26	PHE	HZ	H	7.270	0.020	1
161	1	26	PHE	CA	C	60.731	0.400	1
162	1	26	PHE	CB	C	38.753	0.400	1
163	1	26	PHE	N	N	114.431	0.400	1
164	1	27	THR	H	H	8.813	0.020	1
165	1	27	THR	HA	H	3.940	0.020	1
166	1	27	THR	HB	H	4.270	0.020	1
167	1	27	THR	HG21	H	1.276	0.020	1
168	1	27	THR	HG22	H	1.276	0.020	1
169	1	27	THR	HG23	H	1.276	0.020	1
170	1	27	THR	CA	C	66.239	0.400	1
171	1	27	THR	CB	C	68.019	0.400	1
172	1	27	THR	N	N	115.258	0.400	1
173	1	28	THR	H	H	8.087	0.020	1
174	1	28	THR	HA	H	4.153	0.020	1
175	1	28	THR	HB	H	4.267	0.020	1
176	1	28	THR	HG21	H	1.324	0.020	1
177	1	28	THR	HG22	H	1.324	0.020	1
178	1	28	THR	HG23	H	1.324	0.020	1
179	1	28	THR	CA	C	65.068	0.400	1
180	1	28	THR	CB	C	69.253	0.400	1
181	1	28	THR	N	N	115.127	0.400	1
182	1	29	GLN	H	H	7.158	0.020	1
183	1	29	GLN	HA	H	4.535	0.020	1
184	1	29	GLN	HB2	H	2.356	0.020	2
185	1	29	GLN	HB3	H	1.942	0.020	2
186	1	29	GLN	HG2	H	2.490	0.020	2
187	1	29	GLN	HG3	H	2.490	0.020	2
188	1	29	GLN	CA	C	54.444	0.400	1
189	1	29	GLN	CB	C	28.827	0.400	1
190	1	29	GLN	N	N	117.582	0.400	1
191	1	30	GLY	H	H	7.899	0.020	1
192	1	30	GLY	HA2	H	3.788	0.020	2
193	1	30	GLY	HA3	H	4.146	0.020	2
194	1	30	GLY	CA	C	45.831	0.400	1
195	1	30	GLY	N	N	107.106	0.400	1
196	1	31	LEU	H	H	7.571	0.020	1
197	1	31	LEU	HA	H	4.527	0.020	1
198	1	31	LEU	HB2	H	2.059	0.020	2
199	1	31	LEU	HB3	H	2.059	0.020	2
200	1	31	LEU	HG	H	1.051	0.020	1
201	1	31	LEU	HD11	H	1.593	0.020	2
202	1	31	LEU	HD12	H	1.593	0.020	2
203	1	31	LEU	HD13	H	1.593	0.020	2
204	1	31	LEU	HD21	H	0.857	0.020	2
205	1	31	LEU	HD22	H	0.857	0.020	2
206	1	31	LEU	HD23	H	0.857	0.020	2
207	1	31	LEU	CA	C	53.859	0.400	1
208	1	31	LEU	CB	C	41.661	0.400	1
209	1	31	LEU	N	N	122.128	0.400	1
210	1	32	THR	H	H	9.217	0.020	1
211	1	32	THR	HA	H	4.519	0.020	1
212	1	32	THR	HB	H	4.312	0.020	1
213	1	32	THR	HG21	H	1.087	0.020	1
214	1	32	THR	HG22	H	1.087	0.020	1
215	1	32	THR	HG23	H	1.087	0.020	1
216	1	32	THR	CA	C	61.754	0.400	1
217	1	32	THR	CB	C	71.245	0.400	1
218	1	32	THR	N	N	109.962	0.400	1
219	1	33	THR	H	H	8.410	0.020	1
220	1	33	THR	HA	H	5.081	0.020	1
221	1	33	THR	HB	H	4.244	0.020	1
222	1	33	THR	HG21	H	1.186	0.020	1
223	1	33	THR	HG22	H	1.186	0.020	1
224	1	33	THR	HG23	H	1.186	0.020	1
225	1	33	THR	CA	C	59.845	0.400	1
226	1	33	THR	CB	C	72.728	0.400	1
227	1	33	THR	N	N	116.291	0.400	1
228	1	34	ILE	H	H	8.380	0.020	1
229	1	34	ILE	HA	H	3.182	0.020	1
230	1	34	ILE	HB	H	0.817	0.020	1
231	1	34	ILE	HG12	H	2.849	0.020	2
232	1	34	ILE	HG13	H	0.492	0.020	2
233	1	34	ILE	HG21	H	-0.115	0.020	1
234	1	34	ILE	HG22	H	-0.115	0.020	1
235	1	34	ILE	HG23	H	-0.115	0.020	1
236	1	34	ILE	HD11	H	-0.260	0.020	1
237	1	34	ILE	HD12	H	-0.260	0.020	1
238	1	34	ILE	HD13	H	-0.260	0.020	1
239	1	34	ILE	CA	C	62.860	0.400	1
240	1	34	ILE	CB	C	38.043	0.400	1
241	1	34	ILE	N	N	119.031	0.400	1
242	1	35	TYR	H	H	6.999	0.020	1
243	1	35	TYR	HA	H	4.224	0.020	1
244	1	35	TYR	HB2	H	3.161	0.020	2
245	1	35	TYR	HB3	H	2.804	0.020	2
246	1	35	TYR	HD1	H	7.149	0.020	1
247	1	35	TYR	HD2	H	7.149	0.020	1
248	1	35	TYR	HE1	H	6.874	0.020	1
249	1	35	TYR	HE2	H	6.874	0.020	1
250	1	35	TYR	CA	C	59.739	0.400	1
251	1	35	TYR	CB	C	37.443	0.400	1
252	1	35	TYR	N	N	117.284	0.400	1
253	1	36	GLN	H	H	7.320	0.020	1
254	1	36	GLN	HA	H	4.171	0.020	1
255	1	36	GLN	HB2	H	2.363	0.020	2
256	1	36	GLN	HB3	H	2.363	0.020	2
257	1	36	GLN	HG2	H	2.477	0.020	2
258	1	36	GLN	HG3	H	2.189	0.020	2
259	1	36	GLN	CA	C	57.915	0.400	1
260	1	36	GLN	CB	C	31.508	0.400	1
261	1	36	GLN	N	N	114.487	0.400	1
262	1	37	ILE	H	H	7.111	0.020	1
263	1	37	ILE	HA	H	4.149	0.020	1
264	1	37	ILE	HB	H	1.564	0.020	1
265	1	37	ILE	HG12	H	0.970	0.020	2
266	1	37	ILE	HG13	H	0.852	0.020	2
267	1	37	ILE	HG21	H	0.545	0.020	1
268	1	37	ILE	HG22	H	0.545	0.020	1
269	1	37	ILE	HG23	H	0.545	0.020	1
270	1	37	ILE	HD11	H	0.421	0.020	1
271	1	37	ILE	HD12	H	0.421	0.020	1
272	1	37	ILE	HD13	H	0.421	0.020	1
273	1	37	ILE	CA	C	60.188	0.400	1
274	1	37	ILE	CB	C	39.234	0.400	1
275	1	37	ILE	N	N	107.441	0.400	1
276	1	38	GLU	H	H	7.176	0.020	1
277	1	38	GLU	HA	H	3.891	0.020	1
278	1	38	GLU	HB2	H	2.098	0.020	2
279	1	38	GLU	HB3	H	1.919	0.020	2
280	1	38	GLU	HG2	H	2.349	0.020	2
281	1	38	GLU	HG3	H	2.349	0.020	2
282	1	38	GLU	CA	C	58.794	0.400	1
283	1	38	GLU	CB	C	29.402	0.400	1
284	1	38	GLU	N	N	120.002	0.400	1
285	1	39	HIS	H	H	8.406	0.020	1
286	1	39	HIS	HA	H	4.814	0.020	1
287	1	39	HIS	HB2	H	3.189	0.020	2
288	1	39	HIS	HB3	H	3.189	0.020	2
289	1	39	HIS	HD2	H	7.114	0.020	1
290	1	39	HIS	HE1	H	7.429	0.020	1
291	1	39	HIS	CA	C	55.825	0.400	1
292	1	39	HIS	CB	C	30.234	0.400	1
293	1	39	HIS	N	N	115.724	0.400	1
294	1	40	TYR	H	H	7.879	0.020	1
295	1	40	TYR	HA	H	4.662	0.020	1
296	1	40	TYR	HB2	H	3.603	0.020	2
297	1	40	TYR	HB3	H	2.999	0.020	2
298	1	40	TYR	HD1	H	6.646	0.020	1
299	1	40	TYR	HD2	H	6.646	0.020	1
300	1	40	TYR	HE1	H	6.787	0.020	1
301	1	40	TYR	HE2	H	6.787	0.020	1
302	1	40	TYR	CA	C	57.750	0.400	1
303	1	40	TYR	CB	C	37.860	0.400	1
304	1	40	TYR	N	N	124.363	0.400	1
305	1	41	SER	H	H	9.536	0.020	1
306	1	41	SER	HA	H	4.988	0.020	1
307	1	41	SER	HB2	H	4.328	0.020	2
308	1	41	SER	HB3	H	4.064	0.020	2
309	1	41	SER	CA	C	56.003	0.400	1
310	1	41	SER	CB	C	67.100	0.400	1
311	1	41	SER	N	N	117.050	0.400	1
312	1	42	MET	H	H	8.328	0.020	1
313	1	42	MET	HA	H	3.921	0.020	1
314	1	42	MET	HB2	H	1.404	0.020	2
315	1	42	MET	HB3	H	1.404	0.020	2
316	1	42	MET	HG2	H	1.678	0.020	2
317	1	42	MET	HG3	H	1.678	0.020	2
318	1	42	MET	CA	C	58.350	0.400	1
319	1	42	MET	CB	C	30.910	0.400	1
320	1	42	MET	N	N	119.123	0.400	1
321	1	43	ASP	H	H	7.979	0.020	1
322	1	43	ASP	HA	H	4.321	0.020	1
323	1	43	ASP	HB2	H	2.561	0.020	2
324	1	43	ASP	HB3	H	2.409	0.020	2
325	1	43	ASP	CA	C	57.221	0.400	1
326	1	43	ASP	CB	C	40.237	0.400	1
327	1	43	ASP	N	N	119.073	0.400	1
328	1	44	ASP	H	H	7.583	0.020	1
329	1	44	ASP	HA	H	4.188	0.020	1
330	1	44	ASP	HB2	H	2.594	0.020	2
331	1	44	ASP	HB3	H	1.701	0.020	2
332	1	44	ASP	CA	C	57.489	0.400	1
333	1	44	ASP	CB	C	40.480	0.400	1
334	1	44	ASP	N	N	121.170	0.400	1
335	1	45	LEU	H	H	7.638	0.020	1
336	1	45	LEU	HA	H	4.071	0.020	1
337	1	45	LEU	HB2	H	2.192	0.020	2
338	1	45	LEU	HB3	H	2.192	0.020	2
339	1	45	LEU	HD11	H	1.237	0.020	2
340	1	45	LEU	HD12	H	1.237	0.020	2
341	1	45	LEU	HD13	H	1.237	0.020	2
342	1	45	LEU	HD21	H	1.237	0.020	2
343	1	45	LEU	HD22	H	1.237	0.020	2
344	1	45	LEU	HD23	H	1.237	0.020	2
345	1	45	LEU	CA	C	57.564	0.400	1
346	1	45	LEU	CB	C	41.270	0.400	1
347	1	45	LEU	N	N	118.318	0.400	1
348	1	46	ALA	H	H	8.123	0.020	1
349	1	46	ALA	HA	H	3.941	0.020	1
350	1	46	ALA	HB1	H	1.480	0.020	1
351	1	46	ALA	HB2	H	1.480	0.020	1
352	1	46	ALA	HB3	H	1.480	0.020	1
353	1	46	ALA	CA	C	55.403	0.400	1
354	1	46	ALA	CB	C	17.831	0.400	1
355	1	46	ALA	N	N	121.611	0.400	1
356	1	47	SER	H	H	8.084	0.020	1
357	1	47	SER	HA	H	4.216	0.020	1
358	1	47	SER	HB2	H	3.974	0.020	2
359	1	47	SER	HB3	H	3.974	0.020	2
360	1	47	SER	CA	C	61.325	0.400	1
361	1	47	SER	CB	C	62.814	0.400	1
362	1	47	SER	N	N	116.468	0.400	1
363	1	48	LEU	H	H	7.120	0.020	1
364	1	48	LEU	HA	H	4.225	0.020	1
365	1	48	LEU	HB2	H	1.720	0.020	2
366	1	48	LEU	HB3	H	1.720	0.020	2
367	1	48	LEU	HG	H	1.383	0.020	1
368	1	48	LEU	HD11	H	0.672	0.020	2
369	1	48	LEU	HD12	H	0.672	0.020	2
370	1	48	LEU	HD13	H	0.672	0.020	2
371	1	48	LEU	HD21	H	0.567	0.020	2
372	1	48	LEU	HD22	H	0.567	0.020	2
373	1	48	LEU	HD23	H	0.567	0.020	2
374	1	48	LEU	CA	C	54.966	0.400	1
375	1	48	LEU	CB	C	43.119	0.400	1
376	1	48	LEU	N	N	120.360	0.400	1
377	1	49	LYS	H	H	7.807	0.020	1
378	1	49	LYS	HA	H	3.668	0.020	1
379	1	49	LYS	HB2	H	2.240	0.020	2
380	1	49	LYS	HB3	H	2.240	0.020	2
381	1	49	LYS	HG2	H	1.317	0.020	2
382	1	49	LYS	HG3	H	1.317	0.020	2
383	1	49	LYS	HD2	H	1.889	0.020	2
384	1	49	LYS	HD3	H	1.889	0.020	2
385	1	49	LYS	N	N	111.529	0.400	1
386	1	50	ILE	H	H	6.885	0.020	1
387	1	50	ILE	HA	H	3.452	0.020	1
388	1	50	ILE	HB	H	1.493	0.020	1
389	1	50	ILE	HG12	H	1.218	0.020	2
390	1	50	ILE	HG13	H	1.218	0.020	2
391	1	50	ILE	HG21	H	0.957	0.020	1
392	1	50	ILE	HG22	H	0.957	0.020	1
393	1	50	ILE	HG23	H	0.957	0.020	1
394	1	50	ILE	HD11	H	0.732	0.020	1
395	1	50	ILE	HD12	H	0.732	0.020	1
396	1	50	ILE	HD13	H	0.732	0.020	1
397	1	50	ILE	N	N	117.300	0.400	1
398	1	51	PRO	HA	H	4.777	0.020	1
399	1	51	PRO	HD2	H	3.561	0.020	2
400	1	51	PRO	HD3	H	3.561	0.020	2
401	1	51	PRO	CA	C	63.859	0.400	1
402	1	51	PRO	CB	C	32.689	0.400	1
403	1	52	GLU	H	H	9.051	0.020	1
404	1	52	GLU	HA	H	4.336	0.020	1
405	1	52	GLU	HB2	H	2.020	0.020	2
406	1	52	GLU	HB3	H	2.020	0.020	2
407	1	52	GLU	HG2	H	2.539	0.020	2
408	1	52	GLU	HG3	H	2.265	0.020	2
409	1	52	GLU	N	N	124.926	0.400	1
410	1	53	GLN	H	H	9.228	0.020	1
411	1	53	GLN	HA	H	4.109	0.020	1
412	1	53	GLN	HB2	H	1.836	0.020	2
413	1	53	GLN	HB3	H	1.621	0.020	2
414	1	53	GLN	HG2	H	1.985	0.020	2
415	1	53	GLN	HG3	H	1.985	0.020	2
416	1	53	GLN	CA	C	58.326	0.400	1
417	1	53	GLN	CB	C	27.418	0.400	1
418	1	53	GLN	N	N	116.404	0.400	1
419	1	54	PHE	H	H	7.536	0.020	1
420	1	54	PHE	HA	H	4.837	0.020	1
421	1	54	PHE	HB2	H	3.394	0.020	2
422	1	54	PHE	HB3	H	2.542	0.020	2
423	1	54	PHE	HD1	H	7.083	0.020	1
424	1	54	PHE	HD2	H	7.083	0.020	1
425	1	54	PHE	HE1	H	7.370	0.020	1
426	1	54	PHE	HE2	H	7.370	0.020	1
427	1	54	PHE	HZ	H	7.304	0.020	1
428	1	54	PHE	CA	C	58.014	0.400	1
429	1	54	PHE	CB	C	41.301	0.400	1
430	1	54	PHE	N	N	116.653	0.400	1
431	1	55	ARG	H	H	7.686	0.020	1
432	1	55	ARG	HA	H	3.760	0.020	1
433	1	55	ARG	HB2	H	1.863	0.020	2
434	1	55	ARG	HB3	H	1.863	0.020	2
435	1	55	ARG	HG2	H	1.316	0.020	2
436	1	55	ARG	HG3	H	1.316	0.020	2
437	1	55	ARG	HD2	H	3.127	0.020	2
438	1	55	ARG	HD3	H	3.127	0.020	2
439	1	55	ARG	CA	C	61.667	0.400	1
440	1	55	ARG	CB	C	30.680	0.400	1
441	1	55	ARG	N	N	118.613	0.400	1
442	1	56	HIS	H	H	8.492	0.020	1
443	1	56	HIS	HA	H	4.415	0.020	1
444	1	56	HIS	HB2	H	3.149	0.020	2
445	1	56	HIS	HB3	H	3.149	0.020	2
446	1	56	HIS	HD2	H	7.104	0.020	1
447	1	56	HIS	CA	C	60.882	0.400	1
448	1	56	HIS	CB	C	30.286	0.400	1
449	1	56	HIS	N	N	116.902	0.400	1
450	1	57	ALA	H	H	7.982	0.020	1
451	1	57	ALA	HA	H	4.106	0.020	1
452	1	57	ALA	HB1	H	1.493	0.020	1
453	1	57	ALA	HB2	H	1.493	0.020	1
454	1	57	ALA	HB3	H	1.493	0.020	1
455	1	57	ALA	CA	C	55.073	0.400	1
456	1	57	ALA	CB	C	18.228	0.400	1
457	1	57	ALA	N	N	121.204	0.400	1
458	1	58	ILE	H	H	7.969	0.020	1
459	1	58	ILE	HA	H	3.494	0.020	1
460	1	58	ILE	HB	H	1.834	0.020	1
461	1	58	ILE	HG12	H	0.720	0.020	2
462	1	58	ILE	HG13	H	0.391	0.020	2
463	1	58	ILE	HG21	H	0.990	0.020	1
464	1	58	ILE	HG22	H	0.990	0.020	1
465	1	58	ILE	HG23	H	0.990	0.020	1
466	1	58	ILE	HD11	H	1.235	0.020	1
467	1	58	ILE	HD12	H	1.235	0.020	1
468	1	58	ILE	HD13	H	1.235	0.020	1
469	1	58	ILE	CA	C	65.714	0.400	1
470	1	58	ILE	CB	C	38.659	0.400	1
471	1	58	ILE	N	N	118.169	0.400	1
472	1	59	TRP	H	H	8.494	0.020	1
473	1	59	TRP	HA	H	4.349	0.020	1
474	1	59	TRP	HB2	H	3.423	0.020	2
475	1	59	TRP	HB3	H	3.255	0.020	2
476	1	59	TRP	HD1	H	7.154	0.020	1
477	1	59	TRP	HE1	H	10.238	0.020	1
478	1	59	TRP	HE3	H	7.438	0.020	1
479	1	59	TRP	HZ2	H	7.519	0.020	1
480	1	59	TRP	HZ3	H	7.261	0.020	1
481	1	59	TRP	HH2	H	7.514	0.020	1
482	1	59	TRP	CA	C	61.314	0.400	1
483	1	59	TRP	CB	C	29.720	0.400	1
484	1	59	TRP	N	N	120.818	0.400	1
485	1	59	TRP	NE1	N	129.340	0.400	1
486	1	60	LYS	H	H	8.637	0.020	1
487	1	60	LYS	HA	H	3.541	0.020	1
488	1	60	LYS	HB2	H	1.812	0.020	2
489	1	60	LYS	HB3	H	1.728	0.020	2
490	1	60	LYS	HG2	H	1.397	0.020	2
491	1	60	LYS	HG3	H	1.397	0.020	2
492	1	60	LYS	CA	C	58.771	0.400	1
493	1	60	LYS	CB	C	31.777	0.400	1
494	1	60	LYS	N	N	117.082	0.400	1
495	1	61	GLY	H	H	7.890	0.020	1
496	1	61	GLY	HA2	H	3.733	0.020	2
497	1	61	GLY	HA3	H	4.022	0.020	2
498	1	61	GLY	CA	C	47.552	0.400	1
499	1	61	GLY	N	N	106.174	0.400	1
500	1	62	ILE	H	H	8.678	0.020	1
501	1	62	ILE	HA	H	3.571	0.020	1
502	1	62	ILE	HB	H	2.094	0.020	1
503	1	62	ILE	HG12	H	0.771	0.020	2
504	1	62	ILE	HG13	H	0.771	0.020	2
505	1	62	ILE	HG21	H	0.987	0.020	1
506	1	62	ILE	HG22	H	0.987	0.020	1
507	1	62	ILE	HG23	H	0.987	0.020	1
508	1	62	ILE	CA	C	66.395	0.400	1
509	1	62	ILE	CB	C	37.992	0.400	1
510	1	62	ILE	N	N	125.431	0.400	1
511	1	63	LEU	H	H	8.161	0.020	1
512	1	63	LEU	HA	H	3.719	0.020	1
513	1	63	LEU	HB2	H	1.288	0.020	2
514	1	63	LEU	HB3	H	1.288	0.020	2
515	1	63	LEU	HG	H	0.998	0.020	1
516	1	63	LEU	HD11	H	0.522	0.020	2
517	1	63	LEU	HD12	H	0.522	0.020	2
518	1	63	LEU	HD13	H	0.522	0.020	2
519	1	63	LEU	HD21	H	0.302	0.020	2
520	1	63	LEU	HD22	H	0.302	0.020	2
521	1	63	LEU	HD23	H	0.302	0.020	2
522	1	63	LEU	CA	C	58.299	0.400	1
523	1	63	LEU	CB	C	41.222	0.400	1
524	1	63	LEU	N	N	121.737	0.400	1
525	1	64	ASP	H	H	8.417	0.020	1
526	1	64	ASP	HA	H	4.335	0.020	1
527	1	64	ASP	HB2	H	2.780	0.020	2
528	1	64	ASP	HB3	H	2.630	0.020	2
529	1	64	ASP	CA	C	56.910	0.400	1
530	1	64	ASP	CB	C	40.369	0.400	1
531	1	64	ASP	N	N	118.909	0.400	1
532	1	65	HIS	H	H	7.899	0.020	1
533	1	65	HIS	HA	H	4.250	0.020	1
534	1	65	HIS	HB2	H	3.310	0.020	2
535	1	65	HIS	HB3	H	3.084	0.020	2
536	1	65	HIS	HD2	H	6.753	0.020	1
537	1	65	HIS	CA	C	59.801	0.400	1
538	1	65	HIS	CB	C	30.343	0.400	1
539	1	65	HIS	N	N	120.742	0.400	1
540	1	66	ARG	H	H	8.217	0.020	1
541	1	66	ARG	HA	H	3.950	0.020	1
542	1	66	ARG	HB2	H	1.905	0.020	2
543	1	66	ARG	HB3	H	1.905	0.020	2
544	1	66	ARG	HG2	H	1.721	0.020	2
545	1	66	ARG	HG3	H	1.721	0.020	2
546	1	66	ARG	HD2	H	3.184	0.020	2
547	1	66	ARG	HD3	H	3.184	0.020	2
548	1	66	ARG	CA	C	58.235	0.400	1
549	1	66	ARG	CB	C	30.628	0.400	1
550	1	66	ARG	N	N	118.211	0.400	1
551	1	67	GLN	H	H	7.737	0.020	1
552	1	67	GLN	HA	H	4.161	0.020	1
553	1	67	GLN	HB2	H	2.070	0.020	2
554	1	67	GLN	HB3	H	2.070	0.020	2
555	1	67	GLN	HG2	H	2.426	0.020	2
556	1	67	GLN	HG3	H	2.426	0.020	2
557	1	67	GLN	CA	C	56.578	0.400	1
558	1	67	GLN	CB	C	28.876	0.400	1
559	1	67	GLN	N	N	116.742	0.400	1
560	1	68	LEU	H	H	7.668	0.020	1
561	1	68	LEU	HA	H	4.204	0.020	1
562	1	68	LEU	HB2	H	1.583	0.020	2
563	1	68	LEU	HB3	H	1.583	0.020	2
564	1	68	LEU	HG	H	1.409	0.020	1
565	1	68	LEU	HD11	H	0.804	0.020	2
566	1	68	LEU	HD12	H	0.804	0.020	2
567	1	68	LEU	HD13	H	0.804	0.020	2
568	1	68	LEU	HD21	H	0.804	0.020	2
569	1	68	LEU	HD22	H	0.804	0.020	2
570	1	68	LEU	HD23	H	0.804	0.020	2
571	1	68	LEU	CA	C	55.452	0.400	1
572	1	68	LEU	CB	C	42.201	0.400	1
573	1	68	LEU	N	N	120.378	0.400	1
574	1	69	HIS	H	H	7.878	0.020	1
575	1	69	HIS	HA	H	4.691	0.020	1
576	1	69	HIS	HB2	H	3.205	0.020	2
577	1	69	HIS	HB3	H	3.065	0.020	2
578	1	69	HIS	CA	C	55.374	0.400	1
579	1	69	HIS	CB	C	30.322	0.400	1
580	1	69	HIS	N	N	118.059	0.400	1
581	1	70	ASP	H	H	8.094	0.020	1
582	1	70	ASP	HA	H	4.419	0.020	1
583	1	70	ASP	HB2	H	2.679	0.020	2
584	1	70	ASP	HB3	H	2.587	0.020	2
585	1	70	ASP	CA	C	56.008	0.400	1
586	1	70	ASP	CB	C	42.040	0.400	1
587	1	70	ASP	N	N	126.843	0.400	1

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.49 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.49 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.02 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 5N2O, Strand ID: A Detail

Release date

2017-02-09

Citation

Protein aggregation of the p63 transcription factor underlies severe skin fragility in AEC syndrome
Russo, C., Osterburg, C., Sirico, A., Antonini, D., Ambrosio, R., Wurz, J.M., Rinnenthal, J., Ferniani, M., Kehrloesser, S., Schafer, B., Guntert, P., Sinha, S., Dotsch, V., Missero, C.
Proc. Natl. Acad. Sci. U. S. A. (2018), 115, E906-E915, PubMed 29339502 , DOI 10.1073/pnas.1713773115 , Abstract

Related entities 1. Tumor protein 63, : 1 : 4 : 18 entities Detail

Interaction partners 1. Tumor protein 63, : 8 interactors Detail

More details for 8 interactors identified by 6 citations

Experiments performed 4 experiments Detail

#	Name	Isotope labeling	Concentration
1	Tumor protein 63	[U-13C; U-15N]	350 uM
2	NaCl	natural abundance	100 mM
3	HEPES	natural abundance	20 mM

#	Name	Isotope labeling	Concentration
1	Tumor protein 63	[U-13C; U-15N]	350 uM
2	NaCl	natural abundance	100 mM
3	HEPES	natural abundance	20 mM

#	Name	Isotope labeling	Concentration
1	Tumor protein 63	[U-13C; U-15N]	350 uM
2	NaCl	natural abundance	100 mM
3	HEPES	natural abundance	20 mM

#	Name	Isotope labeling	Concentration
4	Tumor protein 63	natural abundance	350 uM
5	NaCl	natural abundance	100 mM
6	HEPES	natural abundance	20 mM

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_34095_5n2o.nef
Input source #2: Coordindates	5n2o.cif
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

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60--------70
GPLGSTDCSIVSFFARLGCSSCLDYFTTQGLTTIYQIEHYSMDDLASLKIPEQFRHAIWKGILDHRQLHD
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GPLGSTDCSIVSFFARLGCSSCLDYFTTQGLTTIYQIEHYSMDDLASLKIPEQFRHAIWKGILDHRQLHD

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	70	0	0	100.0

Content subtype: combined_34095_5n2o.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	519		87.1 (chain: A, length: 70)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	484 (1)	noe	85.7 (chain: A, length: 70)
2	Distance restraints	DYANA/DIANA_distance_constraints_4	OK	522 (1)	noe	85.7 (chain: A, length: 70)
3	Distance restraints	DYANA/DIANA_distance_constraints_3	OK	46 (1)	hbond	54.3 (chain: A, length: 70)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 70, Sequence coverage: 87.1%
- Total number of assignments
  - ¹H chemical shifts: 345
  - ¹³C chemical shifts: 113
  - ¹⁵N chemical shifts: 61
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	417	345	82.7
¹³C chemical shifts	323	113	35.0
¹⁵N chemical shifts	76	61	80.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	143	123	86.0
¹³C chemical shifts	140	58	41.4
¹⁵N chemical shifts	68	60	88.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	274	222	81.0
¹³C chemical shifts	183	55	30.1
¹⁵N chemical shifts	8	1	12.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	39	34	87.2
¹³C chemical shifts	39	3	7.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	46	41	89.1
¹³C chemical shifts	45	0	0.0
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 70, Sequence coverage: 85.7%
- Total number of restraints: 484
- Weight of restraints: 1.0 (484)
- Potential type of restraints: upper-bound-parabolic (484)
- Range of distance target values: 2.41, 5.5 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: DYANA/DIANA_distance_constraints_4
  - Status: OK
  - Experiment type: noe
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 70, Sequence coverage: 85.7%
  - Total number of restraints: 522
  - Weight of restraints: 1.0 (522)
  - Potential type of restraints: upper-bound-parabolic (522)
  - Range of distance target values: 2.64, 5.5 (Å)
  - Histogram of distance target values
  - Histogram of discrepancy in distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map
  - Saveframe: DYANA/DIANA_distance_constraints_3
    - Status: OK
    - Experiment type: hbond
    - Sequence coverage of experimental data
      - Entity_assembly_ID: A, Chain length: 70, Sequence coverage: 54.3%
    - Total number of restraints: 46
    - Weight of restraints: 1.0 (46)
    - Potential type of restraints: upper-bound-parabolic (46)
    - Range of distance target values: 2.1, 3.1 (Å)
    - Histogram of distance target values
    - Distance restraints per residue
      - Chain_ID: A
    - Distance restraints on contact map

Keywords PROTEIN, TRANSCRIPTION FACTOR, transcription

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Found 1 Document (0.805 seconds)

BMRB: 34095

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Tumor protein 63, : 1 : 4 : 18 entities Detail

Interaction partners 1. Tumor protein 63, : 8 interactors Detail

Experiments performed 4 experiments Detail

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NMR combined restraints 5 contents Detail