BMRBj - BMREntryMaster

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	ALA	H	H	8.535	0.020	1
2	1	1	ALA	HA	H	4.431	0.020	1
3	1	1	ALA	HB1	H	1.439	0.020	1
4	1	1	ALA	HB2	H	1.439	0.020	1
5	1	1	ALA	HB3	H	1.439	0.020	1
6	1	1	ALA	C	C	177.995	0.400	1
7	1	1	ALA	CA	C	52.815	0.400	1
8	1	1	ALA	CB	C	19.315	0.400	1
9	1	1	ALA	N	N	126.195	0.400	1
10	1	2	THR	H	H	8.099	0.020	1
11	1	2	THR	HA	H	4.330	0.020	1
12	1	2	THR	HB	H	3.975	0.020	1
13	1	2	THR	HG21	H	1.208	0.020	1
14	1	2	THR	HG22	H	1.208	0.020	1
15	1	2	THR	HG23	H	1.208	0.020	1
16	1	2	THR	C	C	174.467	0.400	1
17	1	2	THR	CA	C	61.868	0.400	1
18	1	2	THR	CB	C	69.802	0.400	1
19	1	2	THR	CG2	C	21.700	0.400	1
20	1	2	THR	N	N	113.169	0.400	1
21	1	3	GLN	H	H	8.312	0.020	1
22	1	3	GLN	HA	H	4.435	0.020	1
23	1	3	GLN	HB2	H	2.110	0.020	2
24	1	3	GLN	HB3	H	1.998	0.020	2
25	1	3	GLN	HG2	H	2.400	0.020	2
26	1	3	GLN	HG3	H	2.400	0.020	2
27	1	3	GLN	C	C	175.682	0.400	1
28	1	3	GLN	CA	C	55.686	0.400	1
29	1	3	GLN	CB	C	29.853	0.400	1
30	1	3	GLN	CG	C	33.926	0.400	1
31	1	3	GLN	N	N	122.762	0.400	1
32	1	4	SER	H	H	8.561	0.020	1
33	1	4	SER	CA	C	56.372	0.400	1
34	1	4	SER	CB	C	63.405	0.400	1
35	1	4	SER	N	N	119.202	0.400	1
36	1	5	PRO	HA	H	4.449	0.020	1
37	1	5	PRO	HB2	H	2.333	0.020	2
38	1	5	PRO	HB3	H	2.333	0.020	2
39	1	5	PRO	HG2	H	2.064	0.020	2
40	1	5	PRO	HG3	H	1.984	0.020	2
41	1	5	PRO	HD2	H	3.835	0.020	2
42	1	5	PRO	HD3	H	3.807	0.020	2
43	1	5	PRO	C	C	177.978	0.400	1
44	1	5	PRO	CA	C	64.110	0.400	1
45	1	5	PRO	CB	C	32.060	0.400	1
46	1	5	PRO	CG	C	27.581	0.400	1
47	1	5	PRO	CD	C	50.847	0.400	1
48	1	6	GLY	H	H	8.430	0.020	1
49	1	6	GLY	HA2	H	3.947	0.020	2
50	1	6	GLY	HA3	H	3.947	0.020	2
51	1	6	GLY	C	C	174.585	0.400	1
52	1	6	GLY	CA	C	45.732	0.400	1
53	1	6	GLY	N	N	108.287	0.400	1
54	1	7	ASP	H	H	8.087	0.020	1
55	1	7	ASP	HA	H	4.627	0.020	1
56	1	7	ASP	HB2	H	2.745	0.020	2
57	1	7	ASP	HB3	H	2.745	0.020	2
58	1	7	ASP	C	C	177.292	0.400	1
59	1	7	ASP	CA	C	55.167	0.400	1
60	1	7	ASP	CB	C	41.367	0.400	1
61	1	7	ASP	N	N	121.170	0.400	1
62	1	8	SER	H	H	8.376	0.020	1
63	1	8	SER	HA	H	4.325	0.020	1
64	1	8	SER	HB2	H	3.971	0.020	2
65	1	8	SER	HB3	H	3.971	0.020	2
66	1	8	SER	C	C	176.177	0.400	1
67	1	8	SER	CA	C	60.305	0.400	1
68	1	8	SER	CB	C	63.229	0.400	1
69	1	8	SER	N	N	116.886	0.400	1
70	1	9	ARG	H	H	8.283	0.020	1
71	1	9	ARG	HA	H	4.174	0.020	1
72	1	9	ARG	HB2	H	1.863	0.020	2
73	1	9	ARG	HB3	H	1.863	0.020	2
74	1	9	ARG	HG2	H	1.640	0.020	2
75	1	9	ARG	HG3	H	1.542	0.020	2
76	1	9	ARG	HD2	H	3.222	0.020	2
77	1	9	ARG	HD3	H	3.109	0.020	2
78	1	9	ARG	C	C	177.504	0.400	1
79	1	9	ARG	CA	C	58.388	0.400	1
80	1	9	ARG	CB	C	30.005	0.400	1
81	1	9	ARG	CG	C	27.619	0.400	1
82	1	9	ARG	CD	C	43.464	0.400	1
83	1	9	ARG	N	N	122.868	0.400	1
84	1	10	ARG	H	H	7.997	0.020	1
85	1	10	ARG	HA	H	4.058	0.020	1
86	1	10	ARG	HB2	H	1.884	0.020	2
87	1	10	ARG	HB3	H	1.884	0.020	2
88	1	10	ARG	HG2	H	1.708	0.020	2
89	1	10	ARG	HG3	H	1.573	0.020	2
90	1	10	ARG	HD2	H	3.225	0.020	2
91	1	10	ARG	HD3	H	3.225	0.020	2
92	1	10	ARG	C	C	177.981	0.400	1
93	1	10	ARG	CA	C	58.577	0.400	1
94	1	10	ARG	CB	C	30.273	0.400	1
95	1	10	ARG	CG	C	27.622	0.400	1
96	1	10	ARG	CD	C	43.418	0.400	1
97	1	10	ARG	N	N	119.584	0.400	1
98	1	11	LEU	H	H	8.100	0.020	1
99	1	11	LEU	HA	H	4.197	0.020	1
100	1	11	LEU	HB2	H	1.697	0.020	2
101	1	11	LEU	HB3	H	1.697	0.020	2
102	1	11	LEU	HG	H	1.627	0.020	1
103	1	11	LEU	HD11	H	0.885	0.020	2
104	1	11	LEU	HD12	H	0.885	0.020	2
105	1	11	LEU	HD13	H	0.885	0.020	2
106	1	11	LEU	HD21	H	0.841	0.020	2
107	1	11	LEU	HD22	H	0.841	0.020	2
108	1	11	LEU	HD23	H	0.841	0.020	2
109	1	11	LEU	C	C	178.544	0.400	1
110	1	11	LEU	CA	C	57.076	0.400	1
111	1	11	LEU	CB	C	41.903	0.400	1
112	1	11	LEU	CG	C	27.185	0.400	1
113	1	11	LEU	CD1	C	24.670	0.400	2
114	1	11	LEU	CD2	C	23.901	0.400	2
115	1	11	LEU	N	N	120.774	0.400	1
116	1	12	SER	H	H	8.032	0.020	1
117	1	12	SER	HA	H	4.299	0.020	1
118	1	12	SER	HB2	H	4.065	0.020	2
119	1	12	SER	HB3	H	3.931	0.020	2
120	1	12	SER	C	C	176.833	0.400	1
121	1	12	SER	CA	C	60.879	0.400	1
122	1	12	SER	CB	C	63.228	0.400	1
123	1	12	SER	N	N	116.006	0.400	1
124	1	13	ILE	H	H	8.128	0.020	1
125	1	13	ILE	HA	H	3.594	0.020	1
126	1	13	ILE	HB	H	1.759	0.020	1
127	1	13	ILE	HG12	H	1.494	0.020	2
128	1	13	ILE	HG13	H	1.494	0.020	2
129	1	13	ILE	HG21	H	0.536	0.020	1
130	1	13	ILE	HG22	H	0.536	0.020	1
131	1	13	ILE	HG23	H	0.536	0.020	1
132	1	13	ILE	HD11	H	0.530	0.020	1
133	1	13	ILE	HD12	H	0.530	0.020	1
134	1	13	ILE	HD13	H	0.530	0.020	1
135	1	13	ILE	C	C	177.185	0.400	1
136	1	13	ILE	CA	C	64.967	0.400	1
137	1	13	ILE	CB	C	37.719	0.400	1
138	1	13	ILE	CG1	C	29.224	0.400	1
139	1	13	ILE	CG2	C	17.174	0.400	1
140	1	13	ILE	CD1	C	13.215	0.400	1
141	1	13	ILE	N	N	123.239	0.400	1
142	1	14	GLN	H	H	8.130	0.020	1
143	1	14	GLN	HA	H	4.009	0.020	1
144	1	14	GLN	HB2	H	2.171	0.020	2
145	1	14	GLN	HB3	H	2.171	0.020	2
146	1	14	GLN	HG2	H	2.516	0.020	2
147	1	14	GLN	HG3	H	2.452	0.020	2
148	1	14	GLN	C	C	179.080	0.400	1
149	1	14	GLN	CA	C	59.464	0.400	1
150	1	14	GLN	CB	C	28.260	0.400	1
151	1	14	GLN	CG	C	33.930	0.400	1
152	1	14	GLN	N	N	118.972	0.400	1
153	1	15	ARG	H	H	8.213	0.020	1
154	1	15	ARG	HA	H	4.133	0.020	1
155	1	15	ARG	HB2	H	1.957	0.020	2
156	1	15	ARG	HB3	H	1.860	0.020	2
157	1	15	ARG	HG2	H	1.688	0.020	2
158	1	15	ARG	HG3	H	1.688	0.020	2
159	1	15	ARG	HD2	H	3.233	0.020	2
160	1	15	ARG	HD3	H	3.233	0.020	2
161	1	15	ARG	C	C	179.166	0.400	1
162	1	15	ARG	CA	C	59.257	0.400	1
163	1	15	ARG	CB	C	30.179	0.400	1
164	1	15	ARG	CG	C	27.629	0.400	1
165	1	15	ARG	CD	C	43.464	0.400	1
166	1	15	ARG	N	N	118.886	0.400	1
167	1	16	ALA	H	H	7.995	0.020	1
168	1	16	ALA	HA	H	4.152	0.020	1
169	1	16	ALA	HB1	H	1.434	0.020	1
170	1	16	ALA	HB2	H	1.434	0.020	1
171	1	16	ALA	HB3	H	1.434	0.020	1
172	1	16	ALA	C	C	179.943	0.400	1
173	1	16	ALA	CA	C	55.463	0.400	1
174	1	16	ALA	CB	C	18.487	0.400	1
175	1	16	ALA	N	N	123.749	0.400	1
176	1	17	ILE	H	H	8.502	0.020	1
177	1	17	ILE	HA	H	3.689	0.020	1
178	1	17	ILE	HB	H	2.132	0.020	1
179	1	17	ILE	HG12	H	1.262	0.020	2
180	1	17	ILE	HG13	H	1.262	0.020	2
181	1	17	ILE	HG21	H	1.063	0.020	1
182	1	17	ILE	HG22	H	1.063	0.020	1
183	1	17	ILE	HG23	H	1.063	0.020	1
184	1	17	ILE	HD11	H	0.923	0.020	1
185	1	17	ILE	HD12	H	0.923	0.020	1
186	1	17	ILE	HD13	H	0.923	0.020	1
187	1	17	ILE	C	C	177.806	0.400	1
188	1	17	ILE	CA	C	64.962	0.400	1
189	1	17	ILE	CB	C	37.301	0.400	1
190	1	17	ILE	CG1	C	29.367	0.400	1
191	1	17	ILE	CG2	C	18.388	0.400	1
192	1	17	ILE	CD1	C	13.986	0.400	1
193	1	17	ILE	N	N	118.122	0.400	1
194	1	18	GLN	H	H	8.246	0.020	1
195	1	18	GLN	HA	H	4.083	0.020	1
196	1	18	GLN	HB2	H	2.296	0.020	2
197	1	18	GLN	HB3	H	2.190	0.020	2
198	1	18	GLN	HG2	H	2.626	0.020	2
199	1	18	GLN	HG3	H	2.510	0.020	2
200	1	18	GLN	C	C	179.634	0.400	1
201	1	18	GLN	CA	C	59.337	0.400	1
202	1	18	GLN	CB	C	28.132	0.400	1
203	1	18	GLN	CG	C	34.199	0.400	1
204	1	18	GLN	N	N	118.875	0.400	1
205	1	19	SER	H	H	8.162	0.020	1
206	1	19	SER	HA	H	4.397	0.020	1
207	1	19	SER	HB2	H	4.112	0.020	2
208	1	19	SER	HB3	H	3.936	0.020	2
209	1	19	SER	C	C	176.170	0.400	1
210	1	19	SER	CA	C	61.884	0.400	1
211	1	19	SER	CB	C	62.941	0.400	1
212	1	19	SER	N	N	115.992	0.400	1
213	1	20	LEU	H	H	8.163	0.020	1
214	1	20	LEU	HA	H	4.055	0.020	1
215	1	20	LEU	HB2	H	2.074	0.020	2
216	1	20	LEU	HB3	H	1.691	0.020	2
217	1	20	LEU	HG	H	1.534	0.020	1
218	1	20	LEU	HD11	H	0.847	0.020	2
219	1	20	LEU	HD12	H	0.847	0.020	2
220	1	20	LEU	HD13	H	0.847	0.020	2
221	1	20	LEU	HD21	H	0.907	0.020	2
222	1	20	LEU	HD22	H	0.907	0.020	2
223	1	20	LEU	HD23	H	0.907	0.020	2
224	1	20	LEU	C	C	177.117	0.400	1
225	1	20	LEU	CA	C	58.706	0.400	1
226	1	20	LEU	CB	C	42.306	0.400	1
227	1	20	LEU	CG	C	27.430	0.400	1
228	1	20	LEU	CD1	C	25.919	0.400	2
229	1	20	LEU	CD2	C	23.639	0.400	2
230	1	20	LEU	N	N	125.380	0.400	1
231	1	21	VAL	H	H	8.502	0.020	1
232	1	21	VAL	HA	H	3.281	0.020	1
233	1	21	VAL	HB	H	2.100	0.020	1
234	1	21	VAL	HG11	H	0.926	0.020	2
235	1	21	VAL	HG12	H	0.926	0.020	2
236	1	21	VAL	HG13	H	0.926	0.020	2
237	1	21	VAL	HG21	H	0.926	0.020	2
238	1	21	VAL	HG22	H	0.926	0.020	2
239	1	21	VAL	HG23	H	0.926	0.020	2
240	1	21	VAL	C	C	178.381	0.400	1
241	1	21	VAL	CA	C	66.977	0.400	1
242	1	21	VAL	CB	C	31.778	0.400	1
243	1	21	VAL	CG1	C	21.262	0.400	2
244	1	21	VAL	CG2	C	23.398	0.400	2
245	1	21	VAL	N	N	118.615	0.400	1
246	1	22	HIS	H	H	7.993	0.020	1
247	1	22	HIS	HA	H	4.192	0.020	1
248	1	22	HIS	HB2	H	3.288	0.020	2
249	1	22	HIS	HB3	H	3.288	0.020	2
250	1	22	HIS	HD2	H	7.281	0.020	1
251	1	22	HIS	HE1	H	7.949	0.020	1
252	1	22	HIS	C	C	178.028	0.400	1
253	1	22	HIS	CA	C	60.232	0.400	1
254	1	22	HIS	CB	C	27.856	0.400	1
255	1	22	HIS	CD2	C	129.185	0.400	1
256	1	22	HIS	CE1	C	139.377	0.400	1
257	1	22	HIS	N	N	115.749	0.400	1
258	1	22	HIS	ND1	N	172.704	0.400	1
259	1	22	HIS	NE2	N	218.464	0.400	1
260	1	23	ALA	H	H	8.518	0.020	1
261	1	23	ALA	HA	H	4.144	0.020	1
262	1	23	ALA	HB1	H	1.567	0.020	1
263	1	23	ALA	HB2	H	1.567	0.020	1
264	1	23	ALA	HB3	H	1.567	0.020	1
265	1	23	ALA	C	C	179.120	0.400	1
266	1	23	ALA	CA	C	55.169	0.400	1
267	1	23	ALA	CB	C	19.759	0.400	1
268	1	23	ALA	N	N	121.090	0.400	1
269	1	24	ALA	H	H	8.196	0.020	1
270	1	24	ALA	HA	H	4.054	0.020	1
271	1	24	ALA	HB1	H	1.385	0.020	1
272	1	24	ALA	HB2	H	1.385	0.020	1
273	1	24	ALA	HB3	H	1.385	0.020	1
274	1	24	ALA	C	C	177.551	0.400	1
275	1	24	ALA	CA	C	54.024	0.400	1
276	1	24	ALA	CB	C	18.561	0.400	1
277	1	24	ALA	N	N	116.425	0.400	1
278	1	25	GLN	H	H	7.225	0.020	1
279	1	25	GLN	HA	H	4.474	0.020	1
280	1	25	GLN	HB2	H	2.153	0.020	2
281	1	25	GLN	HB3	H	1.988	0.020	2
282	1	25	GLN	HG2	H	2.464	0.020	2
283	1	25	GLN	HG3	H	2.278	0.020	2
284	1	25	GLN	C	C	174.424	0.400	1
285	1	25	GLN	CA	C	54.673	0.400	1
286	1	25	GLN	CB	C	30.752	0.400	1
287	1	25	GLN	CG	C	33.559	0.400	1
288	1	25	GLN	N	N	111.956	0.400	1
289	1	26	CYS	H	H	7.293	0.020	1
290	1	26	CYS	HA	H	3.881	0.020	1
291	1	26	CYS	HB2	H	2.524	0.020	2
292	1	26	CYS	HB3	H	2.055	0.020	2
293	1	26	CYS	C	C	176.185	0.400	1
294	1	26	CYS	CA	C	60.910	0.400	1
295	1	26	CYS	CB	C	29.251	0.400	1
296	1	26	CYS	N	N	124.261	0.400	1
297	1	27	ARG	H	H	8.864	0.020	1
298	1	27	ARG	HA	H	4.607	0.020	1
299	1	27	ARG	HB2	H	2.141	0.020	2
300	1	27	ARG	HB3	H	2.141	0.020	2
301	1	27	ARG	HG2	H	1.682	0.020	2
302	1	27	ARG	HG3	H	1.630	0.020	2
303	1	27	ARG	HD2	H	3.179	0.020	2
304	1	27	ARG	HD3	H	3.179	0.020	2
305	1	27	ARG	C	C	175.181	0.400	1
306	1	27	ARG	CA	C	54.636	0.400	1
307	1	27	ARG	CB	C	30.114	0.400	1
308	1	27	ARG	CG	C	26.906	0.400	1
309	1	27	ARG	CD	C	43.254	0.400	1
310	1	27	ARG	N	N	129.514	0.400	1
311	1	28	ASN	H	H	7.925	0.020	1
312	1	28	ASN	HA	H	4.837	0.020	1
313	1	28	ASN	HB2	H	2.976	0.020	2
314	1	28	ASN	HB3	H	2.850	0.020	2
315	1	28	ASN	C	C	175.691	0.400	1
316	1	28	ASN	CA	C	51.880	0.400	1
317	1	28	ASN	CB	C	39.107	0.400	1
318	1	28	ASN	N	N	120.477	0.400	1
319	1	29	ALA	H	H	9.125	0.020	1
320	1	29	ALA	HA	H	4.091	0.020	1
321	1	29	ALA	HB1	H	1.433	0.020	1
322	1	29	ALA	HB2	H	1.433	0.020	1
323	1	29	ALA	HB3	H	1.433	0.020	1
324	1	29	ALA	C	C	178.031	0.400	1
325	1	29	ALA	CA	C	54.382	0.400	1
326	1	29	ALA	CB	C	18.471	0.400	1
327	1	29	ALA	N	N	130.246	0.400	1
328	1	30	ASN	H	H	8.068	0.020	1
329	1	30	ASN	HA	H	4.848	0.020	1
330	1	30	ASN	HB2	H	2.947	0.020	2
331	1	30	ASN	HB3	H	2.601	0.020	2
332	1	30	ASN	C	C	174.061	0.400	1
333	1	30	ASN	CA	C	51.925	0.400	1
334	1	30	ASN	CB	C	38.869	0.400	1
335	1	30	ASN	N	N	114.142	0.400	1
336	1	31	CYS	H	H	7.156	0.020	1
337	1	31	CYS	HA	H	4.022	0.020	1
338	1	31	CYS	HB2	H	3.017	0.020	2
339	1	31	CYS	HB3	H	2.974	0.020	2
340	1	31	CYS	C	C	176.806	0.400	1
341	1	31	CYS	CA	C	61.765	0.400	1
342	1	31	CYS	CB	C	30.032	0.400	1
343	1	31	CYS	N	N	123.049	0.400	1
344	1	32	SER	H	H	8.774	0.020	1
345	1	32	SER	HA	H	4.585	0.020	1
346	1	32	SER	HB2	H	4.112	0.020	2
347	1	32	SER	HB3	H	3.871	0.020	2
348	1	32	SER	C	C	174.803	0.400	1
349	1	32	SER	CA	C	57.984	0.400	1
350	1	32	SER	CB	C	64.168	0.400	1
351	1	32	SER	N	N	124.208	0.400	1
352	1	33	LEU	H	H	8.536	0.020	1
353	1	33	LEU	HA	H	4.481	0.020	1
354	1	33	LEU	HB2	H	1.433	0.020	2
355	1	33	LEU	HB3	H	1.595	0.020	2
356	1	33	LEU	HD11	H	0.554	0.020	2
357	1	33	LEU	HD12	H	0.554	0.020	2
358	1	33	LEU	HD13	H	0.554	0.020	2
359	1	33	LEU	HD21	H	0.598	0.020	2
360	1	33	LEU	HD22	H	0.598	0.020	2
361	1	33	LEU	HD23	H	0.598	0.020	2
362	1	33	LEU	CA	C	54.340	0.400	1
363	1	33	LEU	CB	C	40.815	0.400	1
364	1	33	LEU	N	N	128.845	0.400	1
365	1	34	PRO	HA	H	4.298	0.020	1
366	1	34	PRO	HB2	H	2.381	0.020	2
367	1	34	PRO	HB3	H	1.987	0.020	2
368	1	34	PRO	HG2	H	2.180	0.020	2
369	1	34	PRO	HG3	H	2.180	0.020	2
370	1	34	PRO	HD2	H	3.768	0.020	2
371	1	34	PRO	HD3	H	3.768	0.020	2
372	1	34	PRO	C	C	178.284	0.400	1
373	1	34	PRO	CA	C	65.427	0.400	1
374	1	34	PRO	CB	C	31.977	0.400	1
375	1	34	PRO	CG	C	27.768	0.400	1
376	1	34	PRO	CD	C	51.029	0.400	1
377	1	35	SER	H	H	8.335	0.020	1
378	1	35	SER	HA	H	4.223	0.020	1
379	1	35	SER	HB2	H	4.079	0.020	2
380	1	35	SER	HB3	H	3.981	0.020	2
381	1	35	SER	C	C	174.212	0.400	1
382	1	35	SER	CA	C	60.445	0.400	1
383	1	35	SER	CB	C	63.022	0.400	1
384	1	35	SER	N	N	111.830	0.400	1
385	1	36	CYS	H	H	7.500	0.020	1
386	1	36	CYS	HA	H	4.207	0.020	1
387	1	36	CYS	HB2	H	3.190	0.020	2
388	1	36	CYS	HB3	H	2.760	0.020	2
389	1	36	CYS	C	C	176.612	0.400	1
390	1	36	CYS	CA	C	64.050	0.400	1
391	1	36	CYS	CB	C	29.702	0.400	1
392	1	36	CYS	N	N	125.550	0.400	1
393	1	37	GLN	H	H	8.197	0.020	1
394	1	37	GLN	HA	H	3.962	0.020	1
395	1	37	GLN	HB2	H	2.160	0.020	2
396	1	37	GLN	HB3	H	2.105	0.020	2
397	1	37	GLN	HG2	H	2.528	0.020	2
398	1	37	GLN	HG3	H	2.459	0.020	2
399	1	37	GLN	C	C	179.370	0.400	1
400	1	37	GLN	CA	C	59.931	0.400	1
401	1	37	GLN	CB	C	28.205	0.400	1
402	1	37	GLN	CG	C	34.166	0.400	1
403	1	37	GLN	N	N	115.839	0.400	1
404	1	38	LYS	H	H	7.833	0.020	1
405	1	38	LYS	HA	H	4.019	0.020	1
406	1	38	LYS	HB2	H	1.631	0.020	2
407	1	38	LYS	HB3	H	1.631	0.020	2
408	1	38	LYS	HG2	H	1.451	0.020	2
409	1	38	LYS	HG3	H	1.451	0.020	2
410	1	38	LYS	HD2	H	1.271	0.020	2
411	1	38	LYS	HD3	H	1.271	0.020	2
412	1	38	LYS	HE2	H	2.781	0.020	2
413	1	38	LYS	HE3	H	2.781	0.020	2
414	1	38	LYS	C	C	179.034	0.400	1
415	1	38	LYS	CA	C	59.568	0.400	1
416	1	38	LYS	CB	C	32.662	0.400	1
417	1	38	LYS	CG	C	25.427	0.400	1
418	1	38	LYS	CD	C	29.415	0.400	1
419	1	38	LYS	CE	C	42.077	0.400	1
420	1	38	LYS	N	N	116.942	0.400	1
421	1	39	MET	H	H	8.308	0.020	1
422	1	39	MET	HA	H	4.558	0.020	1
423	1	39	MET	HB2	H	2.341	0.020	2
424	1	39	MET	HB3	H	1.897	0.020	2
425	1	39	MET	HG2	H	2.713	0.020	2
426	1	39	MET	HG3	H	2.566	0.020	2
427	1	39	MET	C	C	179.387	0.400	1
428	1	39	MET	CA	C	56.813	0.400	1
429	1	39	MET	CB	C	31.971	0.400	1
430	1	39	MET	CG	C	33.522	0.400	1
431	1	39	MET	N	N	117.978	0.400	1
432	1	40	LYS	H	H	9.519	0.020	1
433	1	40	LYS	HA	H	3.807	0.020	1
434	1	40	LYS	HB2	H	2.127	0.020	2
435	1	40	LYS	HB3	H	1.971	0.020	2
436	1	40	LYS	HG2	H	1.391	0.020	2
437	1	40	LYS	HG3	H	1.391	0.020	2
438	1	40	LYS	HD2	H	1.842	0.020	2
439	1	40	LYS	HD3	H	1.669	0.020	2
440	1	40	LYS	HE2	H	3.256	0.020	2
441	1	40	LYS	HE3	H	3.120	0.020	2
442	1	40	LYS	C	C	179.660	0.400	1
443	1	40	LYS	CA	C	61.460	0.400	1
444	1	40	LYS	CB	C	32.743	0.400	1
445	1	40	LYS	CG	C	27.434	0.400	1
446	1	40	LYS	CD	C	30.165	0.400	1
447	1	40	LYS	CE	C	42.911	0.400	1
448	1	40	LYS	N	N	121.989	0.400	1
449	1	41	ARG	H	H	7.541	0.020	1
450	1	41	ARG	HA	H	4.183	0.020	1
451	1	41	ARG	HB2	H	2.154	0.020	2
452	1	41	ARG	HB3	H	2.001	0.020	2
453	1	41	ARG	HG2	H	1.776	0.020	2
454	1	41	ARG	HG3	H	1.776	0.020	2
455	1	41	ARG	HD2	H	3.279	0.020	2
456	1	41	ARG	HD3	H	3.279	0.020	2
457	1	41	ARG	C	C	179.762	0.400	1
458	1	41	ARG	CA	C	59.488	0.400	1
459	1	41	ARG	CB	C	30.016	0.400	1
460	1	41	ARG	CG	C	27.787	0.400	1
461	1	41	ARG	CD	C	43.713	0.400	1
462	1	41	ARG	N	N	117.775	0.400	1
463	1	42	VAL	H	H	7.592	0.020	1
464	1	42	VAL	HA	H	3.725	0.020	1
465	1	42	VAL	HB	H	2.490	0.020	1
466	1	42	VAL	HG11	H	1.125	0.020	2
467	1	42	VAL	HG12	H	1.125	0.020	2
468	1	42	VAL	HG13	H	1.125	0.020	2
469	1	42	VAL	HG21	H	0.964	0.020	2
470	1	42	VAL	HG22	H	0.964	0.020	2
471	1	42	VAL	HG23	H	0.964	0.020	2
472	1	42	VAL	C	C	177.521	0.400	1
473	1	42	VAL	CA	C	66.649	0.400	1
474	1	42	VAL	CB	C	31.514	0.400	1
475	1	42	VAL	CG1	C	22.981	0.400	2
476	1	42	VAL	N	N	121.191	0.400	1
477	1	43	VAL	H	H	8.396	0.020	1
478	1	43	VAL	HA	H	3.493	0.020	1
479	1	43	VAL	HB	H	2.223	0.020	1
480	1	43	VAL	HG11	H	0.948	0.020	2
481	1	43	VAL	HG12	H	0.948	0.020	2
482	1	43	VAL	HG13	H	0.948	0.020	2
483	1	43	VAL	HG21	H	0.858	0.020	2
484	1	43	VAL	HG22	H	0.858	0.020	2
485	1	43	VAL	HG23	H	0.858	0.020	2
486	1	43	VAL	C	C	179.025	0.400	1
487	1	43	VAL	CA	C	67.389	0.400	1
488	1	43	VAL	CB	C	31.520	0.400	1
489	1	43	VAL	CG1	C	23.151	0.400	2
490	1	43	VAL	CG2	C	21.522	0.400	2
491	1	43	VAL	N	N	120.436	0.400	1
492	1	44	GLN	H	H	8.459	0.020	1
493	1	44	GLN	HA	H	3.968	0.020	1
494	1	44	GLN	HB2	H	2.154	0.020	2
495	1	44	GLN	HB3	H	2.154	0.020	2
496	1	44	GLN	HG2	H	2.504	0.020	2
497	1	44	GLN	HG3	H	2.504	0.020	2
498	1	44	GLN	C	C	178.896	0.400	1
499	1	44	GLN	CA	C	58.955	0.400	1
500	1	44	GLN	CB	C	28.122	0.400	1
501	1	44	GLN	CG	C	33.811	0.400	1
502	1	44	GLN	N	N	119.210	0.400	1
503	1	45	HIS	H	H	8.079	0.020	1
504	1	45	HIS	HA	H	4.269	0.020	1
505	1	45	HIS	HB2	H	3.876	0.020	2
506	1	45	HIS	HB3	H	3.356	0.020	2
507	1	45	HIS	HD2	H	6.905	0.020	1
508	1	45	HIS	HE1	H	8.093	0.020	1
509	1	45	HIS	C	C	177.855	0.400	1
510	1	45	HIS	CA	C	59.947	0.400	1
511	1	45	HIS	CB	C	27.256	0.400	1
512	1	45	HIS	CD2	C	128.834	0.400	1
513	1	45	HIS	CE1	C	140.154	0.400	1
514	1	45	HIS	N	N	118.854	0.400	1
515	1	45	HIS	ND1	N	173.161	0.400	1
516	1	45	HIS	NE2	N	220.450	0.400	1
517	1	46	THR	H	H	7.798	0.020	1
518	1	46	THR	HA	H	3.828	0.020	1
519	1	46	THR	HB	H	4.185	0.020	1
520	1	46	THR	HG21	H	1.648	0.020	1
521	1	46	THR	HG22	H	1.648	0.020	1
522	1	46	THR	HG23	H	1.648	0.020	1
523	1	46	THR	C	C	175.849	0.400	1
524	1	46	THR	CA	C	65.670	0.400	1
525	1	46	THR	CB	C	69.552	0.400	1
526	1	46	THR	CG2	C	22.306	0.400	1
527	1	46	THR	N	N	109.889	0.400	1
528	1	47	LYS	H	H	7.320	0.020	1
529	1	47	LYS	HA	H	4.067	0.020	1
530	1	47	LYS	HB2	H	1.866	0.020	2
531	1	47	LYS	HB3	H	1.866	0.020	2
532	1	47	LYS	HG2	H	1.423	0.020	2
533	1	47	LYS	HG3	H	1.423	0.020	2
534	1	47	LYS	HD2	H	1.624	0.020	2
535	1	47	LYS	HD3	H	1.570	0.020	2
536	1	47	LYS	HE2	H	2.883	0.020	2
537	1	47	LYS	HE3	H	2.883	0.020	2
538	1	47	LYS	C	C	177.801	0.400	1
539	1	47	LYS	CA	C	58.656	0.400	1
540	1	47	LYS	CB	C	32.131	0.400	1
541	1	47	LYS	CG	C	25.370	0.400	1
542	1	47	LYS	CD	C	29.167	0.400	1
543	1	47	LYS	CE	C	42.236	0.400	1
544	1	47	LYS	N	N	120.281	0.400	1
545	1	48	GLY	H	H	7.152	0.020	1
546	1	48	GLY	HA2	H	4.368	0.020	2
547	1	48	GLY	HA3	H	3.634	0.020	2
548	1	48	GLY	C	C	173.798	0.400	1
549	1	48	GLY	CA	C	44.723	0.400	1
550	1	48	GLY	N	N	103.951	0.400	1
551	1	49	CYS	H	H	6.921	0.020	1
552	1	49	CYS	HA	H	3.968	0.020	1
553	1	49	CYS	HB2	H	2.694	0.020	2
554	1	49	CYS	HB3	H	2.047	0.020	2
555	1	49	CYS	C	C	176.789	0.400	1
556	1	49	CYS	CA	C	61.186	0.400	1
557	1	49	CYS	CB	C	29.761	0.400	1
558	1	49	CYS	N	N	123.218	0.400	1
559	1	50	LYS	H	H	8.985	0.020	1
560	1	50	LYS	HA	H	4.504	0.020	1
561	1	50	LYS	HB2	H	2.061	0.020	2
562	1	50	LYS	HB3	H	1.838	0.020	2
563	1	50	LYS	HG2	H	1.571	0.020	2
564	1	50	LYS	HG3	H	1.540	0.020	2
565	1	50	LYS	HD2	H	1.724	0.020	2
566	1	50	LYS	HD3	H	1.616	0.020	2
567	1	50	LYS	HE2	H	3.057	0.020	2
568	1	50	LYS	HE3	H	3.057	0.020	2
569	1	50	LYS	C	C	177.585	0.400	1
570	1	50	LYS	CA	C	56.662	0.400	1
571	1	50	LYS	CB	C	32.876	0.400	1
572	1	50	LYS	CG	C	25.085	0.400	1
573	1	50	LYS	CD	C	28.886	0.400	1
574	1	50	LYS	CE	C	42.294	0.400	1
575	1	50	LYS	N	N	128.198	0.400	1
576	1	51	ARG	H	H	8.500	0.020	1
577	1	51	ARG	HA	H	4.400	0.020	1
578	1	51	ARG	HB2	H	1.843	0.020	2
579	1	51	ARG	HB3	H	1.843	0.020	2
580	1	51	ARG	HG2	H	1.706	0.020	2
581	1	51	ARG	HG3	H	1.706	0.020	2
582	1	51	ARG	HD2	H	3.285	0.020	2
583	1	51	ARG	HD3	H	3.285	0.020	2
584	1	51	ARG	C	C	176.884	0.400	1
585	1	51	ARG	CA	C	57.639	0.400	1
586	1	51	ARG	CB	C	31.638	0.400	1
587	1	51	ARG	CG	C	27.736	0.400	1
588	1	51	ARG	CD	C	43.746	0.400	1
589	1	51	ARG	N	N	122.262	0.400	1
590	1	52	LYS	H	H	8.436	0.020	1
591	1	52	LYS	HA	H	4.496	0.020	1
592	1	52	LYS	HB2	H	2.297	0.020	2
593	1	52	LYS	HB3	H	2.053	0.020	2
594	1	52	LYS	HG2	H	1.378	0.020	2
595	1	52	LYS	HG3	H	1.378	0.020	2
596	1	52	LYS	HD2	H	1.775	0.020	2
597	1	52	LYS	HD3	H	1.610	0.020	2
598	1	52	LYS	HE2	H	3.154	0.020	2
599	1	52	LYS	HE3	H	3.154	0.020	2
600	1	52	LYS	C	C	177.238	0.400	1
601	1	52	LYS	CA	C	57.811	0.400	1
602	1	52	LYS	CB	C	32.249	0.400	1
603	1	52	LYS	CG	C	24.873	0.400	1
604	1	52	LYS	CD	C	29.749	0.400	1
605	1	52	LYS	CE	C	42.714	0.400	1
606	1	52	LYS	N	N	118.845	0.400	1
607	1	53	THR	H	H	7.742	0.020	1
608	1	53	THR	HA	H	4.130	0.020	1
609	1	53	THR	HB	H	4.221	0.020	1
610	1	53	THR	HG21	H	1.181	0.020	1
611	1	53	THR	HG22	H	1.181	0.020	1
612	1	53	THR	HG23	H	1.181	0.020	1
613	1	53	THR	CA	C	63.867	0.400	1
614	1	53	THR	CB	C	68.818	0.400	1
615	1	53	THR	CG2	C	22.195	0.400	1
616	1	53	THR	N	N	112.914	0.400	1
617	1	54	ASN	HA	H	4.725	0.020	1
618	1	54	ASN	HB2	H	2.871	0.020	2
619	1	54	ASN	HB3	H	2.871	0.020	2
620	1	54	ASN	C	C	175.971	0.400	1
621	1	54	ASN	CA	C	53.767	0.400	1
622	1	54	ASN	CB	C	38.353	0.400	1
623	1	55	GLY	H	H	7.959	0.020	1
624	1	55	GLY	HA2	H	3.976	0.020	2
625	1	55	GLY	HA3	H	3.976	0.020	2
626	1	55	GLY	C	C	175.183	0.400	1
627	1	55	GLY	CA	C	45.849	0.400	1
628	1	55	GLY	N	N	107.368	0.400	1
629	1	56	GLY	H	H	7.783	0.020	1
630	1	56	GLY	HA2	H	3.979	0.020	2
631	1	56	GLY	HA3	H	3.879	0.020	2
632	1	56	GLY	C	C	173.235	0.400	1
633	1	56	GLY	CA	C	45.549	0.400	1
634	1	56	GLY	N	N	107.009	0.400	1
635	1	57	CYS	H	H	8.011	0.020	1
636	1	57	CYS	HB2	H	2.944	0.020	2
637	1	57	CYS	HB3	H	2.660	0.020	2
638	1	57	CYS	CA	C	55.578	0.400	1
639	1	57	CYS	CB	C	30.748	0.400	1
640	1	57	CYS	N	N	122.544	0.400	1
641	1	58	PRO	HA	H	4.263	0.020	1
642	1	58	PRO	HB2	H	2.279	0.020	2
643	1	58	PRO	HB3	H	1.804	0.020	2
644	1	58	PRO	HG2	H	2.059	0.020	2
645	1	58	PRO	HD2	H	4.017	0.020	2
646	1	58	PRO	HD3	H	4.017	0.020	2
647	1	58	PRO	C	C	178.527	0.400	1
648	1	58	PRO	CA	C	65.063	0.400	1
649	1	58	PRO	CB	C	32.526	0.400	1
650	1	58	PRO	CG	C	27.381	0.400	1
651	1	58	PRO	CD	C	51.530	0.400	1
652	1	59	ILE	H	H	7.802	0.020	1
653	1	59	ILE	HA	H	3.686	0.020	1
654	1	59	ILE	HB	H	1.521	0.020	1
655	1	59	ILE	HG12	H	1.379	0.020	2
656	1	59	ILE	HG13	H	1.379	0.020	2
657	1	59	ILE	HG21	H	0.681	0.020	1
658	1	59	ILE	HG22	H	0.681	0.020	1
659	1	59	ILE	HG23	H	0.681	0.020	1
660	1	59	ILE	HD11	H	0.437	0.020	1
661	1	59	ILE	HD12	H	0.437	0.020	1
662	1	59	ILE	HD13	H	0.437	0.020	1
663	1	59	ILE	C	C	178.195	0.400	1
664	1	59	ILE	CA	C	64.745	0.400	1
665	1	59	ILE	CB	C	38.922	0.400	1
666	1	59	ILE	CG1	C	28.227	0.400	1
667	1	59	ILE	CG2	C	18.260	0.400	1
668	1	59	ILE	CD1	C	12.893	0.400	1
669	1	59	ILE	N	N	120.519	0.400	1
670	1	60	CYS	H	H	8.914	0.020	1
671	1	60	CYS	HA	H	4.081	0.020	1
672	1	60	CYS	HB2	H	2.963	0.020	2
673	1	60	CYS	HB3	H	2.763	0.020	2
674	1	60	CYS	C	C	177.474	0.400	1
675	1	60	CYS	CA	C	66.506	0.400	1
676	1	60	CYS	CB	C	29.203	0.400	1
677	1	60	CYS	N	N	123.780	0.400	1
678	1	61	LYS	H	H	7.979	0.020	1
679	1	61	LYS	HA	H	3.832	0.020	1
680	1	61	LYS	HB2	H	1.812	0.020	2
681	1	61	LYS	HB3	H	1.684	0.020	2
682	1	61	LYS	HG2	H	1.305	0.020	2
683	1	61	LYS	HG3	H	1.305	0.020	2
684	1	61	LYS	HD2	H	1.584	0.020	2
685	1	61	LYS	HD3	H	1.479	0.020	2
686	1	61	LYS	HE2	H	2.858	0.020	2
687	1	61	LYS	HE3	H	2.858	0.020	2
688	1	61	LYS	C	C	178.990	0.400	1
689	1	61	LYS	CA	C	60.073	0.400	1
690	1	61	LYS	CB	C	32.605	0.400	1
691	1	61	LYS	CG	C	25.474	0.400	1
692	1	61	LYS	CD	C	29.483	0.400	1
693	1	61	LYS	CE	C	41.941	0.400	1
694	1	61	LYS	N	N	116.676	0.400	1
695	1	62	GLN	H	H	7.232	0.020	1
696	1	62	GLN	HA	H	4.124	0.020	1
697	1	62	GLN	HG2	H	2.315	0.020	2
698	1	62	GLN	HG3	H	2.315	0.020	2
699	1	62	GLN	C	C	177.948	0.400	1
700	1	62	GLN	CA	C	58.404	0.400	1
701	1	62	GLN	CB	C	28.431	0.400	1
702	1	62	GLN	CG	C	33.849	0.400	1
703	1	62	GLN	N	N	117.187	0.400	1
704	1	63	LEU	H	H	8.081	0.020	1
705	1	63	LEU	HA	H	4.133	0.020	1
706	1	63	LEU	HB2	H	1.902	0.020	2
707	1	63	LEU	HB3	H	1.923	0.020	2
708	1	63	LEU	HD11	H	1.005	0.020	2
709	1	63	LEU	HD12	H	1.005	0.020	2
710	1	63	LEU	HD13	H	1.005	0.020	2
711	1	63	LEU	HD21	H	1.005	0.020	2
712	1	63	LEU	HD22	H	1.005	0.020	2
713	1	63	LEU	HD23	H	1.005	0.020	2
714	1	63	LEU	C	C	179.129	0.400	1
715	1	63	LEU	CA	C	57.792	0.400	1
716	1	63	LEU	CB	C	41.747	0.400	1
717	1	63	LEU	CG	C	27.579	0.400	1
718	1	63	LEU	CD1	C	25.097	0.400	2
719	1	63	LEU	N	N	119.816	0.400	1
720	1	64	ILE	H	H	8.434	0.020	1
721	1	64	ILE	HA	H	3.509	0.020	1
722	1	64	ILE	HB	H	1.405	0.020	1
723	1	64	ILE	HG12	H	0.256	0.020	2
724	1	64	ILE	HG13	H	1.042	0.020	2
725	1	64	ILE	HG21	H	0.738	0.020	1
726	1	64	ILE	HG22	H	0.738	0.020	1
727	1	64	ILE	HG23	H	0.738	0.020	1
728	1	64	ILE	HD11	H	0.365	0.020	1
729	1	64	ILE	HD12	H	0.365	0.020	1
730	1	64	ILE	HD13	H	0.365	0.020	1
731	1	64	ILE	C	C	176.806	0.400	1
732	1	64	ILE	CA	C	65.581	0.400	1
733	1	64	ILE	CB	C	37.394	0.400	1
734	1	64	ILE	CG1	C	29.956	0.400	1
735	1	64	ILE	CG2	C	17.183	0.400	1
736	1	64	ILE	CD1	C	13.502	0.400	1
737	1	64	ILE	N	N	120.346	0.400	1
738	1	65	ALA	H	H	7.224	0.020	1
739	1	65	ALA	HA	H	4.095	0.020	1
740	1	65	ALA	HB1	H	1.503	0.020	1
741	1	65	ALA	HB2	H	1.503	0.020	1
742	1	65	ALA	HB3	H	1.503	0.020	1
743	1	65	ALA	C	C	180.254	0.400	1
744	1	65	ALA	CA	C	55.237	0.400	1
745	1	65	ALA	CB	C	18.368	0.400	1
746	1	65	ALA	N	N	122.118	0.400	1
747	1	66	LEU	H	H	7.826	0.020	1
748	1	66	LEU	HA	H	4.095	0.020	1
749	1	66	LEU	HB2	H	1.770	0.020	2
750	1	66	LEU	HB3	H	1.645	0.020	2
751	1	66	LEU	HD11	H	0.746	0.020	2
752	1	66	LEU	HD12	H	0.746	0.020	2
753	1	66	LEU	HD13	H	0.746	0.020	2
754	1	66	LEU	HD21	H	0.746	0.020	2
755	1	66	LEU	HD22	H	0.746	0.020	2
756	1	66	LEU	HD23	H	0.746	0.020	2
757	1	66	LEU	C	C	178.900	0.400	1
758	1	66	LEU	CA	C	57.965	0.400	1
759	1	66	LEU	CB	C	42.422	0.400	1
760	1	66	LEU	CG	C	26.864	0.400	1
761	1	66	LEU	CD1	C	24.946	0.400	2
762	1	66	LEU	N	N	117.910	0.400	1
763	1	67	ALA	H	H	8.863	0.020	1
764	1	67	ALA	HA	H	3.919	0.020	1
765	1	67	ALA	HB1	H	1.675	0.020	1
766	1	67	ALA	HB2	H	1.675	0.020	1
767	1	67	ALA	HB3	H	1.675	0.020	1
768	1	67	ALA	C	C	179.445	0.400	1
769	1	67	ALA	CA	C	55.808	0.400	1
770	1	67	ALA	CB	C	19.076	0.400	1
771	1	67	ALA	N	N	121.392	0.400	1
772	1	68	ALA	H	H	8.585	0.020	1
773	1	68	ALA	HA	H	4.087	0.020	1
774	1	68	ALA	HB1	H	1.497	0.020	1
775	1	68	ALA	HB2	H	1.497	0.020	1
776	1	68	ALA	HB3	H	1.497	0.020	1
777	1	68	ALA	C	C	179.685	0.400	1
778	1	68	ALA	CA	C	55.559	0.400	1
779	1	68	ALA	CB	C	18.049	0.400	1
780	1	68	ALA	N	N	120.019	0.400	1
781	1	69	TYR	H	H	7.697	0.020	1
782	1	69	TYR	HA	H	4.170	0.020	1
783	1	69	TYR	HB2	H	3.237	0.020	2
784	1	69	TYR	HB3	H	3.157	0.020	2
785	1	69	TYR	HD1	H	7.167	0.020	1
786	1	69	TYR	HD2	H	7.167	0.020	1
787	1	69	TYR	HE1	H	6.839	0.020	1
788	1	69	TYR	HE2	H	6.839	0.020	1
789	1	69	TYR	C	C	178.620	0.400	1
790	1	69	TYR	CA	C	61.533	0.400	1
791	1	69	TYR	CB	C	38.566	0.400	1
792	1	69	TYR	CD1	C	133.148	0.400	3
793	1	69	TYR	CD2	C	133.148	0.400	3
794	1	69	TYR	CE1	C	118.217	0.400	3
795	1	69	TYR	CE2	C	118.217	0.400	3
796	1	69	TYR	N	N	118.291	0.400	1
797	1	70	HIS	H	H	8.063	0.020	1
798	1	70	HIS	HA	H	4.396	0.020	1
799	1	70	HIS	HB2	H	3.548	0.020	2
800	1	70	HIS	HB3	H	3.224	0.020	2
801	1	70	HIS	HD2	H	7.183	0.020	1
802	1	70	HIS	HE1	H	8.044	0.020	1
803	1	70	HIS	C	C	176.785	0.400	1
804	1	70	HIS	CA	C	58.763	0.400	1
805	1	70	HIS	CB	C	27.849	0.400	1
806	1	70	HIS	CD2	C	129.582	0.400	1
807	1	70	HIS	CE1	C	140.121	0.400	1
808	1	70	HIS	N	N	118.808	0.400	1
809	1	70	HIS	ND1	N	172.386	0.400	1
810	1	70	HIS	NE2	N	221.464	0.400	1
811	1	71	ALA	H	H	9.249	0.020	1
812	1	71	ALA	HA	H	3.907	0.020	1
813	1	71	ALA	HB1	H	1.581	0.020	1
814	1	71	ALA	HB2	H	1.581	0.020	1
815	1	71	ALA	HB3	H	1.581	0.020	1
816	1	71	ALA	C	C	178.867	0.400	1
817	1	71	ALA	CA	C	54.824	0.400	1
818	1	71	ALA	CB	C	19.787	0.400	1
819	1	71	ALA	N	N	122.325	0.400	1
820	1	72	LYS	H	H	6.937	0.020	1
821	1	72	LYS	HA	H	3.817	0.020	1
822	1	72	LYS	HB2	H	1.420	0.020	2
823	1	72	LYS	HB3	H	1.420	0.020	2
824	1	72	LYS	HG2	H	1.255	0.020	2
825	1	72	LYS	HG3	H	1.151	0.020	2
826	1	72	LYS	HD2	H	1.558	0.020	2
827	1	72	LYS	HD3	H	1.558	0.020	2
828	1	72	LYS	HE2	H	2.870	0.020	2
829	1	72	LYS	HE3	H	2.870	0.020	2
830	1	72	LYS	C	C	176.562	0.400	1
831	1	72	LYS	CA	C	58.296	0.400	1
832	1	72	LYS	CB	C	32.514	0.400	1
833	1	72	LYS	CG	C	24.484	0.400	1
834	1	72	LYS	CD	C	29.029	0.400	1
835	1	72	LYS	CE	C	42.097	0.400	1
836	1	72	LYS	N	N	114.337	0.400	1
837	1	73	HIS	H	H	7.072	0.020	1
838	1	73	HIS	HA	H	4.812	0.020	1
839	1	73	HIS	HB2	H	3.410	0.020	2
840	1	73	HIS	HB3	H	2.904	0.020	2
841	1	73	HIS	HD2	H	7.089	0.020	1
842	1	73	HIS	HE1	H	8.033	0.020	1
843	1	73	HIS	C	C	173.605	0.400	1
844	1	73	HIS	CA	C	54.355	0.400	1
845	1	73	HIS	CB	C	30.327	0.400	1
846	1	73	HIS	CD2	C	121.024	0.400	1
847	1	73	HIS	CE1	C	137.439	0.400	1
848	1	73	HIS	N	N	112.753	0.400	1
849	1	73	HIS	ND1	N	196.679	0.400	1
850	1	73	HIS	NE2	N	183.298	0.400	1
851	1	74	CYS	H	H	6.988	0.020	1
852	1	74	CYS	HA	H	4.115	0.020	1
853	1	74	CYS	HB2	H	2.453	0.020	2
854	1	74	CYS	HB3	H	1.755	0.020	2
855	1	74	CYS	C	C	176.135	0.400	1
856	1	74	CYS	CA	C	60.113	0.400	1
857	1	74	CYS	CB	C	30.116	0.400	1
858	1	74	CYS	N	N	123.360	0.400	1
859	1	75	GLN	H	H	9.115	0.020	1
860	1	75	GLN	HA	H	4.665	0.020	1
861	1	75	GLN	HB2	H	1.837	0.020	2
862	1	75	GLN	HB3	H	1.837	0.020	2
863	1	75	GLN	HG2	H	2.324	0.020	2
864	1	75	GLN	HG3	H	2.324	0.020	2
865	1	75	GLN	C	C	175.548	0.400	1
866	1	75	GLN	CA	C	54.654	0.400	1
867	1	75	GLN	CB	C	29.362	0.400	1
868	1	75	GLN	CG	C	33.918	0.400	1
869	1	75	GLN	N	N	128.642	0.400	1
870	1	76	GLU	H	H	8.219	0.020	1
871	1	76	GLU	HA	H	4.391	0.020	1
872	1	76	GLU	HB2	H	2.024	0.020	2
873	1	76	GLU	HB3	H	1.996	0.020	2
874	1	76	GLU	HG2	H	2.389	0.020	2
875	1	76	GLU	HG3	H	2.333	0.020	2
876	1	76	GLU	C	C	176.623	0.400	1
877	1	76	GLU	CA	C	55.826	0.400	1
878	1	76	GLU	CB	C	30.449	0.400	1
879	1	76	GLU	CG	C	35.848	0.400	1
880	1	76	GLU	N	N	122.785	0.400	1
881	1	77	ASN	H	H	8.876	0.020	1
882	1	77	ASN	HA	H	4.502	0.020	1
883	1	77	ASN	HB2	H	2.825	0.020	2
884	1	77	ASN	HB3	H	2.825	0.020	2
885	1	77	ASN	C	C	175.821	0.400	1
886	1	77	ASN	CA	C	55.168	0.400	1
887	1	77	ASN	CB	C	38.535	0.400	1
888	1	77	ASN	N	N	125.473	0.400	1
889	1	78	LYS	H	H	8.732	0.020	1
890	1	78	LYS	HA	H	4.423	0.020	1
891	1	78	LYS	HB2	H	1.913	0.020	2
892	1	78	LYS	HB3	H	1.913	0.020	2
893	1	78	LYS	HG2	H	1.336	0.020	2
894	1	78	LYS	HG3	H	1.336	0.020	2
895	1	78	LYS	HD2	H	1.653	0.020	2
896	1	78	LYS	HD3	H	1.653	0.020	2
897	1	78	LYS	HE2	H	2.981	0.020	2
898	1	78	LYS	HE3	H	2.981	0.020	2
899	1	78	LYS	C	C	174.893	0.400	1
900	1	78	LYS	CA	C	54.617	0.400	1
901	1	78	LYS	CB	C	31.006	0.400	1
902	1	78	LYS	CG	C	24.740	0.400	1
903	1	78	LYS	CD	C	29.171	0.400	1
904	1	78	LYS	CE	C	42.204	0.400	1
905	1	78	LYS	N	N	120.776	0.400	1
906	1	79	CYS	H	H	6.950	0.020	1
907	1	79	CYS	HA	H	4.303	0.020	1
908	1	79	CYS	HB2	H	2.949	0.020	2
909	1	79	CYS	HB3	H	2.837	0.020	2
910	1	79	CYS	CA	C	57.782	0.400	1
911	1	79	CYS	CB	C	30.687	0.400	1
912	1	79	CYS	N	N	123.860	0.400	1
913	1	80	PRO	HA	H	4.678	0.020	1
914	1	80	PRO	HB2	H	2.094	0.020	2
915	1	80	PRO	HB3	H	2.038	0.020	2
916	1	80	PRO	HG2	H	1.663	0.020	2
917	1	80	PRO	HG3	H	1.663	0.020	2
918	1	80	PRO	HD2	H	4.144	0.020	2
919	1	80	PRO	HD3	H	3.855	0.020	2
920	1	80	PRO	C	C	176.818	0.400	1
921	1	80	PRO	CA	C	62.950	0.400	1
922	1	80	PRO	CB	C	32.106	0.400	1
923	1	80	PRO	CG	C	26.590	0.400	1
924	1	80	PRO	CD	C	51.367	0.400	1
925	1	81	VAL	H	H	9.023	0.020	1
926	1	81	VAL	HA	H	3.525	0.020	1
927	1	81	VAL	HB	H	2.192	0.020	1
928	1	81	VAL	HG11	H	0.681	0.020	2
929	1	81	VAL	HG12	H	0.681	0.020	2
930	1	81	VAL	HG13	H	0.681	0.020	2
931	1	81	VAL	HG21	H	0.407	0.020	2
932	1	81	VAL	HG22	H	0.407	0.020	2
933	1	81	VAL	HG23	H	0.407	0.020	2
934	1	81	VAL	CA	C	62.488	0.400	1
935	1	81	VAL	CB	C	31.554	0.400	1
936	1	81	VAL	CG1	C	18.302	0.400	2
937	1	81	VAL	CG2	C	24.119	0.400	2
938	1	81	VAL	N	N	127.712	0.400	1
939	1	82	PRO	HA	H	3.980	0.020	1
940	1	82	PRO	HB2	H	1.901	0.020	2
941	1	82	PRO	HB3	H	1.901	0.020	2
942	1	82	PRO	C	C	174.654	0.400	1
943	1	82	PRO	CA	C	64.198	0.400	1
944	1	82	PRO	CB	C	31.644	0.400	1
945	1	82	PRO	CG	C	28.338	0.400	1
946	1	82	PRO	CD	C	50.506	0.400	1
947	1	83	PHE	H	H	7.977	0.020	1
948	1	83	PHE	HA	H	4.219	0.020	1
949	1	83	PHE	HB2	H	3.546	0.020	2
950	1	83	PHE	HB3	H	3.220	0.020	2
951	1	83	PHE	HD1	H	7.077	0.020	1
952	1	83	PHE	HD2	H	7.077	0.020	1
953	1	83	PHE	HE1	H	7.339	0.020	1
954	1	83	PHE	HE2	H	7.339	0.020	1
955	1	83	PHE	HZ	H	7.403	0.020	1
956	1	83	PHE	C	C	175.242	0.400	1
957	1	83	PHE	CA	C	60.939	0.400	1
958	1	83	PHE	CB	C	37.328	0.400	1
959	1	83	PHE	CD1	C	131.802	0.400	3
960	1	83	PHE	CD2	C	131.802	0.400	3
961	1	83	PHE	CE1	C	131.001	0.400	3
962	1	83	PHE	CE2	C	131.001	0.400	3
963	1	83	PHE	CZ	C	129.093	0.400	1
964	1	83	PHE	N	N	111.431	0.400	1
965	1	84	CYS	H	H	7.768	0.020	1
966	1	84	CYS	HA	H	3.978	0.020	1
967	1	84	CYS	HB2	H	3.235	0.020	2
968	1	84	CYS	HB3	H	2.762	0.020	2
969	1	84	CYS	C	C	176.906	0.400	1
970	1	84	CYS	CA	C	65.021	0.400	1
971	1	84	CYS	CB	C	29.871	0.400	1
972	1	84	CYS	N	N	124.129	0.400	1
973	1	85	LEU	H	H	8.215	0.020	1
974	1	85	LEU	HA	H	4.023	0.020	1
975	1	85	LEU	HB2	H	1.762	0.020	2
976	1	85	LEU	HB3	H	1.762	0.020	2
977	1	85	LEU	HG	H	1.552	0.020	1
978	1	85	LEU	HD11	H	0.952	0.020	2
979	1	85	LEU	HD12	H	0.952	0.020	2
980	1	85	LEU	HD13	H	0.952	0.020	2
981	1	85	LEU	HD21	H	0.952	0.020	2
982	1	85	LEU	HD22	H	0.952	0.020	2
983	1	85	LEU	HD23	H	0.952	0.020	2
984	1	85	LEU	C	C	179.341	0.400	1
985	1	85	LEU	CA	C	58.397	0.400	1
986	1	85	LEU	CB	C	41.098	0.400	1
987	1	85	LEU	CG	C	27.220	0.400	1
988	1	85	LEU	CD1	C	24.776	0.400	2
989	1	85	LEU	N	N	114.523	0.400	1
990	1	86	ASN	H	H	7.756	0.020	1
991	1	86	ASN	HA	H	4.394	0.020	1
992	1	86	ASN	HB2	H	2.881	0.020	2
993	1	86	ASN	HB3	H	2.881	0.020	2
994	1	86	ASN	C	C	177.698	0.400	1
995	1	86	ASN	CA	C	56.672	0.400	1
996	1	86	ASN	CB	C	38.861	0.400	1
997	1	86	ASN	N	N	115.678	0.400	1
998	1	87	ILE	H	H	8.457	0.020	1
999	1	87	ILE	HA	H	3.700	0.020	1
1000	1	87	ILE	HB	H	2.018	0.020	1
1001	1	87	ILE	HG12	H	1.678	0.020	2
1002	1	87	ILE	HG13	H	1.678	0.020	2
1003	1	87	ILE	HG21	H	0.851	0.020	1
1004	1	87	ILE	HG22	H	0.851	0.020	1
1005	1	87	ILE	HG23	H	0.851	0.020	1
1006	1	87	ILE	HD11	H	0.782	0.020	1
1007	1	87	ILE	HD12	H	0.782	0.020	1
1008	1	87	ILE	HD13	H	0.782	0.020	1
1009	1	87	ILE	C	C	179.352	0.400	1
1010	1	87	ILE	CA	C	64.583	0.400	1
1011	1	87	ILE	CB	C	37.823	0.400	1
1012	1	87	ILE	CG1	C	28.994	0.400	1
1013	1	87	ILE	CG2	C	17.864	0.400	1
1014	1	87	ILE	CD1	C	13.528	0.400	1
1015	1	87	ILE	N	N	121.044	0.400	1
1016	1	88	LYS	H	H	8.589	0.020	1
1017	1	88	LYS	HA	H	3.991	0.020	1
1018	1	88	LYS	HB2	H	2.007	0.020	2
1019	1	88	LYS	HB3	H	1.950	0.020	2
1020	1	88	LYS	HG2	H	1.426	0.020	2
1021	1	88	LYS	HG3	H	1.426	0.020	2
1022	1	88	LYS	HD2	H	1.815	0.020	2
1023	1	88	LYS	HD3	H	1.689	0.020	2
1024	1	88	LYS	C	C	179.078	0.400	1
1025	1	88	LYS	CA	C	60.327	0.400	1
1026	1	88	LYS	CB	C	32.593	0.400	1
1027	1	88	LYS	CG	C	26.176	0.400	1
1028	1	88	LYS	CD	C	30.629	0.400	1
1029	1	88	LYS	CE	C	41.939	0.400	1
1030	1	88	LYS	N	N	120.209	0.400	1
1031	1	89	GLN	H	H	8.024	0.020	1
1032	1	89	GLN	HA	H	4.196	0.020	1
1033	1	89	GLN	HB2	H	2.171	0.020	2
1034	1	89	GLN	HB3	H	2.171	0.020	2
1035	1	89	GLN	HG2	H	2.605	0.020	2
1036	1	89	GLN	HG3	H	2.433	0.020	2
1037	1	89	GLN	C	C	177.339	0.400	1
1038	1	89	GLN	CA	C	57.607	0.400	1
1039	1	89	GLN	CB	C	28.950	0.400	1
1040	1	89	GLN	CG	C	34.275	0.400	1
1041	1	89	GLN	N	N	116.446	0.400	1
1042	1	90	LYS	H	H	7.871	0.020	1
1043	1	90	LYS	HA	H	4.298	0.020	1
1044	1	90	LYS	HB2	H	1.954	0.020	2
1045	1	90	LYS	HB3	H	1.954	0.020	2
1046	1	90	LYS	HG2	H	1.556	0.020	2
1047	1	90	LYS	HG3	H	1.505	0.020	2
1048	1	90	LYS	HD2	H	1.694	0.020	2
1049	1	90	LYS	HD3	H	1.694	0.020	2
1050	1	90	LYS	HE2	H	3.003	0.020	2
1051	1	90	LYS	HE3	H	3.003	0.020	2
1052	1	90	LYS	C	C	177.568	0.400	1
1053	1	90	LYS	CA	C	57.128	0.400	1
1054	1	90	LYS	CB	C	32.914	0.400	1
1055	1	90	LYS	CG	C	25.078	0.400	1
1056	1	90	LYS	CD	C	29.074	0.400	1
1057	1	90	LYS	CE	C	42.234	0.400	1
1058	1	90	LYS	N	N	118.180	0.400	1
1059	1	91	GLY	H	H	8.116	0.020	1
1060	1	91	GLY	HA2	H	4.116	0.020	2
1061	1	91	GLY	HA3	H	3.945	0.020	2
1062	1	91	GLY	C	C	174.202	0.400	1
1063	1	91	GLY	CA	C	45.615	0.400	1
1064	1	91	GLY	N	N	107.979	0.400	1
1065	1	92	THR	H	H	7.947	0.020	1
1066	1	92	THR	HA	H	4.351	0.020	1
1067	1	92	THR	HG21	H	1.153	0.020	1
1068	1	92	THR	HG22	H	1.153	0.020	1
1069	1	92	THR	HG23	H	1.153	0.020	1
1070	1	92	THR	C	C	174.544	0.400	1
1071	1	92	THR	CA	C	61.775	0.400	1
1072	1	92	THR	CB	C	69.752	0.400	1
1073	1	92	THR	CG2	C	21.623	0.400	1
1074	1	92	THR	N	N	113.274	0.400	1
1075	1	93	ILE	H	H	8.144	0.020	1
1076	1	93	ILE	HA	H	4.157	0.020	1
1077	1	93	ILE	HB	H	1.839	0.020	1
1078	1	93	ILE	HG12	H	1.444	0.020	2
1079	1	93	ILE	HG13	H	1.145	0.020	2
1080	1	93	ILE	HG21	H	0.852	0.020	1
1081	1	93	ILE	HG22	H	0.852	0.020	1
1082	1	93	ILE	HG23	H	0.852	0.020	1
1083	1	93	ILE	HD11	H	0.821	0.020	1
1084	1	93	ILE	HD12	H	0.821	0.020	1
1085	1	93	ILE	HD13	H	0.821	0.020	1
1086	1	93	ILE	C	C	176.246	0.400	1
1087	1	93	ILE	CA	C	61.396	0.400	1
1088	1	93	ILE	CB	C	38.840	0.400	1
1089	1	93	ILE	CG1	C	27.444	0.400	1
1090	1	93	ILE	CG2	C	17.797	0.400	1
1091	1	93	ILE	CD1	C	13.271	0.400	1
1092	1	93	ILE	N	N	122.326	0.400	1
1093	1	94	GLU	H	H	8.469	0.020	1
1094	1	94	GLU	HA	H	4.239	0.020	1
1095	1	94	GLU	HB2	H	2.028	0.020	2
1096	1	94	GLU	HB3	H	1.939	0.020	2
1097	1	94	GLU	HG2	H	2.251	0.020	2
1098	1	94	GLU	HG3	H	2.251	0.020	2
1099	1	94	GLU	C	C	176.929	0.400	1
1100	1	94	GLU	CA	C	57.047	0.400	1
1101	1	94	GLU	CB	C	30.147	0.400	1
1102	1	94	GLU	CG	C	36.354	0.400	1
1103	1	94	GLU	N	N	124.282	0.400	1
1104	1	95	GLY	H	H	8.359	0.020	1
1105	1	95	GLY	HA2	H	3.941	0.020	2
1106	1	95	GLY	HA3	H	3.941	0.020	2
1107	1	95	GLY	C	C	174.377	0.400	1
1108	1	95	GLY	CA	C	45.539	0.400	1
1109	1	95	GLY	N	N	109.877	0.400	1
1110	1	96	ARG	H	H	8.156	0.020	1
1111	1	96	ARG	HA	H	4.360	0.020	1
1112	1	96	ARG	HB2	H	1.899	0.020	2
1113	1	96	ARG	HB3	H	1.758	0.020	2
1114	1	96	ARG	HG2	H	1.620	0.020	2
1115	1	96	ARG	HG3	H	1.620	0.020	2
1116	1	96	ARG	HD2	H	3.161	0.020	2
1117	1	96	ARG	HD3	H	3.161	0.020	2
1118	1	96	ARG	C	C	176.920	0.400	1
1119	1	96	ARG	CA	C	56.255	0.400	1
1120	1	96	ARG	CB	C	30.789	0.400	1
1121	1	96	ARG	CG	C	27.151	0.400	1
1122	1	96	ARG	CD	C	43.460	0.400	1
1123	1	96	ARG	N	N	120.181	0.400	1
1124	1	97	GLY	H	H	8.535	0.020	1
1125	1	97	GLY	HA2	H	3.967	0.020	2
1126	1	97	GLY	HA3	H	3.967	0.020	2
1127	1	97	GLY	C	C	174.156	0.400	1
1128	1	97	GLY	CA	C	45.582	0.400	1
1129	1	97	GLY	N	N	109.645	0.400	1
1130	1	98	ASN	H	H	8.280	0.020	1
1131	1	98	ASN	HA	H	4.670	0.020	1
1132	1	98	ASN	HB2	H	2.753	0.020	2
1133	1	98	ASN	HB3	H	2.753	0.020	2
1134	1	98	ASN	C	C	175.472	0.400	1
1135	1	98	ASN	CA	C	53.512	0.400	1
1136	1	98	ASN	CB	C	38.899	0.400	1
1137	1	98	ASN	N	N	118.472	0.400	1
1138	1	99	GLU	H	H	8.568	0.020	1
1139	1	99	GLU	HA	H	4.184	0.020	1
1140	1	99	GLU	HB2	H	1.902	0.020	2
1141	1	99	GLU	HB3	H	1.850	0.020	2
1142	1	99	GLU	HG2	H	2.119	0.020	2
1143	1	99	GLU	HG3	H	2.078	0.020	2
1144	1	99	GLU	C	C	176.174	0.400	1
1145	1	99	GLU	CA	C	57.275	0.400	1
1146	1	99	GLU	CB	C	29.883	0.400	1
1147	1	99	GLU	CG	C	36.203	0.400	1
1148	1	99	GLU	N	N	120.852	0.400	1
1149	1	100	PHE	H	H	8.102	0.020	1
1150	1	100	PHE	HA	H	4.613	0.020	1
1151	1	100	PHE	HB2	H	3.120	0.020	2
1152	1	100	PHE	HB3	H	3.001	0.020	2
1153	1	100	PHE	HD1	H	7.208	0.020	1
1154	1	100	PHE	HD2	H	7.208	0.020	1
1155	1	100	PHE	HE1	H	7.281	0.020	1
1156	1	100	PHE	HE2	H	7.281	0.020	1
1157	1	100	PHE	HZ	H	7.226	0.020	1
1158	1	100	PHE	C	C	175.156	0.400	1
1159	1	100	PHE	CA	C	57.660	0.400	1
1160	1	100	PHE	CB	C	39.570	0.400	1
1161	1	100	PHE	CD1	C	131.911	0.400	3
1162	1	100	PHE	CD2	C	131.837	0.400	3
1163	1	100	PHE	CE1	C	131.257	0.400	3
1164	1	100	PHE	CE2	C	131.257	0.400	3
1165	1	100	PHE	CZ	C	129.620	0.400	1
1166	1	100	PHE	N	N	119.890	0.400	1
1167	1	101	LEU	H	H	7.869	0.020	1
1168	1	101	LEU	HA	H	4.348	0.020	1
1169	1	101	LEU	HB2	H	1.466	0.020	2
1170	1	101	LEU	HB3	H	1.466	0.020	2
1171	1	101	LEU	HG	H	1.505	0.020	1
1172	1	101	LEU	HD11	H	0.796	0.020	2
1173	1	101	LEU	HD12	H	0.796	0.020	2
1174	1	101	LEU	HD13	H	0.796	0.020	2
1175	1	101	LEU	HD21	H	0.796	0.020	2
1176	1	101	LEU	HD22	H	0.796	0.020	2
1177	1	101	LEU	HD23	H	0.796	0.020	2
1178	1	101	LEU	C	C	175.949	0.400	1
1179	1	101	LEU	CA	C	54.573	0.400	1
1180	1	101	LEU	CB	C	42.752	0.400	1
1181	1	101	LEU	CG	C	26.926	0.400	1
1182	1	101	LEU	CD1	C	25.272	0.400	2
1183	1	101	LEU	CD2	C	24.174	0.400	2
1184	1	101	LEU	N	N	122.919	0.400	1
1185	1	102	SER	H	H	8.101	0.020	1
1186	1	102	SER	HB2	H	3.893	0.020	2
1187	1	102	SER	HB3	H	4.053	0.020	2
1188	1	102	SER	CA	C	55.863	0.400	1
1189	1	102	SER	CB	C	63.611	0.400	1
1190	1	102	SER	N	N	118.019	0.400	1
1191	1	103	PRO	HA	H	4.168	0.020	1
1192	1	103	PRO	HB2	H	2.278	0.020	2
1193	1	103	PRO	HB3	H	2.122	0.020	2
1194	1	103	PRO	HG2	H	1.971	0.020	2
1195	1	103	PRO	HG3	H	1.971	0.020	2
1196	1	103	PRO	HD2	H	3.904	0.020	2
1197	1	103	PRO	HD3	H	3.859	0.020	2
1198	1	103	PRO	C	C	177.860	0.400	1
1199	1	103	PRO	CA	C	64.978	0.400	1
1200	1	103	PRO	CB	C	32.014	0.400	1
1201	1	103	PRO	CG	C	27.764	0.400	1
1202	1	103	PRO	CD	C	50.793	0.400	1
1203	1	104	GLU	H	H	8.610	0.020	1
1204	1	104	GLU	HA	H	4.116	0.020	1
1205	1	104	GLU	HB2	H	1.978	0.020	2
1206	1	104	GLU	HB3	H	1.978	0.020	2
1207	1	104	GLU	HG2	H	2.276	0.020	2
1208	1	104	GLU	HG3	H	2.276	0.020	2
1209	1	104	GLU	C	C	177.835	0.400	1
1210	1	104	GLU	CA	C	58.735	0.400	1
1211	1	104	GLU	CB	C	29.185	0.400	1
1212	1	104	GLU	CG	C	36.563	0.400	1
1213	1	104	GLU	N	N	117.800	0.400	1
1214	1	105	VAL	H	H	7.539	0.020	1
1215	1	105	VAL	HA	H	3.824	0.020	1
1216	1	105	VAL	HB	H	2.017	0.020	1
1217	1	105	VAL	HG11	H	0.877	0.020	2
1218	1	105	VAL	HG12	H	0.877	0.020	2
1219	1	105	VAL	HG13	H	0.877	0.020	2
1220	1	105	VAL	HG21	H	0.728	0.020	2
1221	1	105	VAL	HG22	H	0.728	0.020	2
1222	1	105	VAL	HG23	H	0.728	0.020	2
1223	1	105	VAL	C	C	177.235	0.400	1
1224	1	105	VAL	CA	C	64.562	0.400	1
1225	1	105	VAL	CB	C	31.971	0.400	1
1226	1	105	VAL	CG1	C	21.774	0.400	2
1227	1	105	VAL	CG2	C	21.077	0.400	2
1228	1	105	VAL	N	N	118.580	0.400	1
1229	1	106	PHE	H	H	7.785	0.020	1
1230	1	106	PHE	HA	H	4.245	0.020	1
1231	1	106	PHE	HB2	H	2.911	0.020	2
1232	1	106	PHE	HB3	H	2.966	0.020	2
1233	1	106	PHE	HD1	H	7.105	0.020	1
1234	1	106	PHE	HD2	H	7.105	0.020	1
1235	1	106	PHE	HE1	H	7.149	0.020	1
1236	1	106	PHE	HE2	H	7.149	0.020	1
1237	1	106	PHE	HZ	H	7.064	0.020	1
1238	1	106	PHE	C	C	176.516	0.400	1
1239	1	106	PHE	CA	C	59.737	0.400	1
1240	1	106	PHE	CB	C	38.720	0.400	1
1241	1	106	PHE	CD1	C	131.659	0.400	3
1242	1	106	PHE	CD2	C	131.659	0.400	3
1243	1	106	PHE	CE1	C	131.044	0.400	3
1244	1	106	PHE	CE2	C	131.044	0.400	3
1245	1	106	PHE	CZ	C	129.382	0.400	1
1246	1	106	PHE	N	N	118.407	0.400	1
1247	1	107	GLN	H	H	7.867	0.020	1
1248	1	107	GLN	HA	H	4.006	0.020	1
1249	1	107	GLN	HB2	H	2.061	0.020	2
1250	1	107	GLN	HB3	H	2.061	0.020	2
1251	1	107	GLN	HG2	H	2.307	0.020	2
1252	1	107	GLN	HG3	H	2.307	0.020	2
1253	1	107	GLN	C	C	176.746	0.400	1
1254	1	107	GLN	CA	C	57.897	0.400	1
1255	1	107	GLN	CB	C	28.661	0.400	1
1256	1	107	GLN	CG	C	34.166	0.400	1
1257	1	107	GLN	N	N	117.837	0.400	1
1258	1	108	HIS	H	H	7.829	0.020	1
1259	1	108	HIS	HA	H	4.525	0.020	1
1260	1	108	HIS	HB2	H	3.170	0.020	2
1261	1	108	HIS	HB3	H	3.060	0.020	2
1262	1	108	HIS	HD2	H	7.166	0.020	1
1263	1	108	HIS	HE1	H	8.237	0.020	1
1264	1	108	HIS	C	C	176.631	0.400	1
1265	1	108	HIS	CA	C	56.786	0.400	1
1266	1	108	HIS	CB	C	29.168	0.400	1
1267	1	108	HIS	CD2	C	120.342	0.400	1
1268	1	108	HIS	CE1	C	137.362	0.400	1
1269	1	108	HIS	N	N	115.629	0.400	1
1270	1	108	HIS	ND1	N	195.801	0.400	1
1271	1	108	HIS	NE2	N	178.197	0.400	1
1272	1	109	ILE	H	H	7.549	0.020	1
1273	1	109	ILE	HA	H	3.802	0.020	1
1274	1	109	ILE	HB	H	1.679	0.020	1
1275	1	109	ILE	HG12	H	0.949	0.020	2
1276	1	109	ILE	HG13	H	0.949	0.020	2
1277	1	109	ILE	HG21	H	0.560	0.020	1
1278	1	109	ILE	HG22	H	0.560	0.020	1
1279	1	109	ILE	HG23	H	0.560	0.020	1
1280	1	109	ILE	HD11	H	0.653	0.020	1
1281	1	109	ILE	HD12	H	0.653	0.020	1
1282	1	109	ILE	HD13	H	0.653	0.020	1
1283	1	109	ILE	C	C	176.187	0.400	1
1284	1	109	ILE	CA	C	63.871	0.400	1
1285	1	109	ILE	CB	C	37.988	0.400	1
1286	1	109	ILE	CG1	C	28.294	0.400	1
1287	1	109	ILE	CG2	C	17.363	0.400	1
1288	1	109	ILE	CD1	C	13.823	0.400	1
1289	1	109	ILE	N	N	119.705	0.400	1
1290	1	110	TRP	H	H	7.685	0.020	1
1291	1	110	TRP	HA	H	4.504	0.020	1
1292	1	110	TRP	HB2	H	3.288	0.020	2
1293	1	110	TRP	HB3	H	3.132	0.020	2
1294	1	110	TRP	HD1	H	7.150	0.020	1
1295	1	110	TRP	HE1	H	9.991	0.020	1
1296	1	110	TRP	HE3	H	7.482	0.020	1
1297	1	110	TRP	HZ2	H	7.342	0.020	1
1298	1	110	TRP	HZ3	H	7.028	0.020	1
1299	1	110	TRP	HH2	H	7.083	0.020	1
1300	1	110	TRP	C	C	177.709	0.400	1
1301	1	110	TRP	CA	C	58.474	0.400	1
1302	1	110	TRP	CB	C	28.877	0.400	1
1303	1	110	TRP	CD1	C	127.410	0.400	1
1304	1	110	TRP	CE3	C	120.693	0.400	1
1305	1	110	TRP	CZ2	C	114.390	0.400	1
1306	1	110	TRP	CZ3	C	121.684	0.400	1
1307	1	110	TRP	CH2	C	124.204	0.400	1
1308	1	110	TRP	N	N	119.139	0.400	1
1309	1	110	TRP	NE1	N	129.025	0.400	1
1310	1	111	ASP	H	H	8.053	0.020	1
1311	1	111	ASP	HA	H	4.445	0.020	1
1312	1	111	ASP	HB2	H	2.661	0.020	2
1313	1	111	ASP	HB3	H	2.614	0.020	2
1314	1	111	ASP	C	C	177.891	0.400	1
1315	1	111	ASP	CA	C	56.537	0.400	1
1316	1	111	ASP	CB	C	40.321	0.400	1
1317	1	111	ASP	N	N	119.509	0.400	1
1318	1	112	PHE	H	H	7.769	0.020	1
1319	1	112	PHE	HA	H	4.416	0.020	1
1320	1	112	PHE	HB2	H	3.196	0.020	2
1321	1	112	PHE	HB3	H	3.096	0.020	2
1322	1	112	PHE	HD1	H	7.215	0.020	1
1323	1	112	PHE	HD2	H	7.215	0.020	1
1324	1	112	PHE	HE1	H	7.229	0.020	1
1325	1	112	PHE	HE2	H	7.229	0.020	1
1326	1	112	PHE	HZ	H	7.224	0.020	1
1327	1	112	PHE	C	C	176.554	0.400	1
1328	1	112	PHE	CA	C	59.333	0.400	1
1329	1	112	PHE	CB	C	39.041	0.400	1
1330	1	112	PHE	CD1	C	131.834	0.400	3
1331	1	112	PHE	CD2	C	131.841	0.400	3
1332	1	112	PHE	CE1	C	131.150	0.400	3
1333	1	112	PHE	CE2	C	131.150	0.400	3
1334	1	112	PHE	CZ	C	129.604	0.400	1
1335	1	112	PHE	N	N	118.507	0.400	1
1336	1	113	LEU	H	H	7.768	0.020	1
1337	1	113	LEU	HA	H	4.087	0.020	1
1338	1	113	LEU	HB2	H	1.750	0.020	2
1339	1	113	LEU	HB3	H	1.687	0.020	2
1340	1	113	LEU	HG	H	1.521	0.020	1
1341	1	113	LEU	HD11	H	0.832	0.020	2
1342	1	113	LEU	HD12	H	0.832	0.020	2
1343	1	113	LEU	HD13	H	0.832	0.020	2
1344	1	113	LEU	HD21	H	0.832	0.020	2
1345	1	113	LEU	HD22	H	0.832	0.020	2
1346	1	113	LEU	HD23	H	0.832	0.020	2
1347	1	113	LEU	C	C	177.359	0.400	1
1348	1	113	LEU	CA	C	55.968	0.400	1
1349	1	113	LEU	CB	C	42.318	0.400	1
1350	1	113	LEU	CG	C	23.583	0.400	1
1351	1	113	LEU	CD1	C	25.953	0.400	2
1352	1	113	LEU	N	N	118.879	0.400	1
1353	1	114	GLU	H	H	7.880	0.020	1
1354	1	114	GLU	HA	H	4.232	0.020	1
1355	1	114	GLU	HB2	H	2.091	0.020	2
1356	1	114	GLU	HB3	H	1.923	0.020	2
1357	1	114	GLU	HG2	H	2.253	0.020	2
1358	1	114	GLU	HG3	H	2.179	0.020	2
1359	1	114	GLU	C	C	176.380	0.400	1
1360	1	114	GLU	CA	C	56.551	0.400	1
1361	1	114	GLU	CB	C	30.274	0.400	1
1362	1	114	GLU	CG	C	36.331	0.400	1
1363	1	114	GLU	N	N	118.186	0.400	1
1364	1	115	GLN	H	H	7.838	0.020	1
1365	1	115	GLN	HA	H	4.572	0.020	1
1366	1	115	GLN	HB2	H	2.072	0.020	2
1367	1	115	GLN	HB3	H	1.951	0.020	2
1368	1	115	GLN	CA	C	53.820	0.400	1
1369	1	115	GLN	CB	C	28.900	0.400	1
1370	1	115	GLN	N	N	120.591	0.400	1
1371	1	116	PRO	HA	H	4.454	0.020	1
1372	1	116	PRO	HB2	H	2.259	0.020	2
1373	1	116	PRO	HB3	H	2.259	0.020	2
1374	1	116	PRO	HG2	H	2.009	0.020	2
1375	1	116	PRO	HG3	H	1.900	0.020	2
1376	1	116	PRO	HD2	H	3.647	0.020	2
1377	1	116	PRO	HD3	H	3.771	0.020	2
1378	1	116	PRO	C	C	177.149	0.400	1
1379	1	116	PRO	CA	C	63.212	0.400	1
1380	1	116	PRO	CB	C	32.011	0.400	1
1381	1	116	PRO	CG	C	27.499	0.400	1
1382	1	116	PRO	CD	C	50.589	0.400	1
1383	1	117	ILE	H	H	8.244	0.020	1
1384	1	117	ILE	HA	H	4.152	0.020	1
1385	1	117	ILE	HB	H	1.861	0.020	1
1386	1	117	ILE	HG12	H	1.504	0.020	2
1387	1	117	ILE	HG13	H	1.198	0.020	2
1388	1	117	ILE	HG21	H	0.917	0.020	1
1389	1	117	ILE	HG22	H	0.917	0.020	1
1390	1	117	ILE	HG23	H	0.917	0.020	1
1391	1	117	ILE	HD11	H	0.861	0.020	1
1392	1	117	ILE	HD12	H	0.861	0.020	1
1393	1	117	ILE	HD13	H	0.861	0.020	1
1394	1	117	ILE	C	C	176.355	0.400	1
1395	1	117	ILE	CA	C	61.479	0.400	1
1396	1	117	ILE	CB	C	38.825	0.400	1
1397	1	117	ILE	CG1	C	27.598	0.400	1
1398	1	117	ILE	CG2	C	17.706	0.400	1
1399	1	117	ILE	CD1	C	13.298	0.400	1
1400	1	117	ILE	N	N	121.002	0.400	1
1401	1	118	SER	H	H	8.274	0.020	1
1402	1	118	SER	HA	H	4.491	0.020	1
1403	1	118	SER	HB2	H	3.894	0.020	2
1404	1	118	SER	HB3	H	3.855	0.020	2
1405	1	118	SER	C	C	174.608	0.400	1
1406	1	118	SER	CA	C	58.310	0.400	1
1407	1	118	SER	CB	C	63.868	0.400	1
1408	1	118	SER	N	N	118.852	0.400	1
1409	1	119	SER	H	H	8.276	0.020	1
1410	1	119	SER	HA	H	4.510	0.020	1
1411	1	119	SER	HB2	H	3.893	0.020	2
1412	1	119	SER	HB3	H	3.893	0.020	2
1413	1	119	SER	C	C	174.336	0.400	1
1414	1	119	SER	CA	C	58.471	0.400	1
1415	1	119	SER	CB	C	63.989	0.400	1
1416	1	119	SER	N	N	117.808	0.400	1
1417	1	120	VAL	H	H	8.026	0.020	1
1418	1	120	VAL	HA	H	4.161	0.020	1
1419	1	120	VAL	HB	H	2.086	0.020	1
1420	1	120	VAL	HG11	H	0.917	0.020	2
1421	1	120	VAL	HG12	H	0.917	0.020	2
1422	1	120	VAL	HG13	H	0.917	0.020	2
1423	1	120	VAL	HG21	H	0.917	0.020	2
1424	1	120	VAL	HG22	H	0.917	0.020	2
1425	1	120	VAL	HG23	H	0.917	0.020	2
1426	1	120	VAL	C	C	175.803	0.400	1
1427	1	120	VAL	CA	C	62.240	0.400	1
1428	1	120	VAL	CB	C	32.684	0.400	1
1429	1	120	VAL	CG1	C	20.961	0.400	2
1430	1	120	VAL	N	N	121.017	0.400	1
1431	1	121	GLN	H	H	8.312	0.020	1
1432	1	121	GLN	HA	H	4.653	0.020	1
1433	1	121	GLN	HB2	H	2.092	0.020	2
1434	1	121	GLN	HB3	H	1.954	0.020	2
1435	1	121	GLN	CA	C	53.498	0.400	1
1436	1	121	GLN	CB	C	29.126	0.400	1
1437	1	121	GLN	N	N	125.089	0.400	1
1438	1	122	PRO	HA	H	4.481	0.020	1
1439	1	122	PRO	HB2	H	2.295	0.020	2
1440	1	122	PRO	HB3	H	1.996	0.020	2
1441	1	122	PRO	HG2	H	1.984	0.020	2
1442	1	122	PRO	HG3	H	1.984	0.020	2
1443	1	122	PRO	HD2	H	3.809	0.020	2
1444	1	122	PRO	HD3	H	3.685	0.020	2
1445	1	122	PRO	C	C	176.726	0.400	1
1446	1	122	PRO	CA	C	63.136	0.400	1
1447	1	122	PRO	CB	C	32.210	0.400	1
1448	1	122	PRO	CG	C	27.481	0.400	1
1449	1	122	PRO	CD	C	50.787	0.400	1
1450	1	123	ILE	H	H	8.178	0.020	1
1451	1	123	ILE	HA	H	4.213	0.020	1
1452	1	123	ILE	HB	H	1.896	0.020	1
1453	1	123	ILE	HG12	H	1.479	0.020	2
1454	1	123	ILE	HG13	H	1.175	0.020	2
1455	1	123	ILE	HG21	H	0.930	0.020	1
1456	1	123	ILE	HG22	H	0.930	0.020	1
1457	1	123	ILE	HG23	H	0.930	0.020	1
1458	1	123	ILE	HD11	H	0.863	0.020	1
1459	1	123	ILE	HD12	H	0.863	0.020	1
1460	1	123	ILE	HD13	H	0.863	0.020	1
1461	1	123	ILE	C	C	175.103	0.400	1
1462	1	123	ILE	CA	C	61.231	0.400	1
1463	1	123	ILE	CB	C	39.229	0.400	1
1464	1	123	ILE	CG1	C	27.127	0.400	1
1465	1	123	ILE	CG2	C	17.812	0.400	1
1466	1	123	ILE	CD1	C	13.433	0.400	1
1467	1	123	ILE	N	N	120.218	0.400	1
1468	1	124	ASP	H	H	7.888	0.020	1
1469	1	124	ASP	CA	C	55.764	0.400	1
1470	1	124	ASP	CB	C	42.422	0.400	1
1471	1	124	ASP	N	N	128.969	0.400	1

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0

Referencing offset: 0.11 ppm, Outliers: 1 Detail

Release date

2018-05-20

Citation

Regulation of the Activity in the p53 Family Depends on the Organization of the Transactivation Domain
Krauskopf, K., Gebel, J., Kazemi, S., Tuppi, M., Lohr, F., Schafer, B., Koch, J., Guntert, P., Dotsch, V., Kehrloesser, S.
Structure (2018), 26, 1091-1100, PubMed 30099987 , DOI 10.1016/j.str.2018.05.013 , Abstract

Related entities 1. Histone acetyltransferase p300,Tumor protein 63 (E.C.2.3.1.48,2.3.1.-), entity 1, : 1 : 6 entities Detail

Experiments performed 11 experiments Detail

1 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 mbar, Temperature 303 K, pH 6.3, Details 1200 uM [U-13C; U-15N] Fusion construct of p300 Taz2 and the transactivation domain of p63, 25 mM MES, 200 mM NaCl, 0.5 mM TCEP, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain of p63	[U-13C; U-15N]	1200 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	200 mM
4	TCEP	natural abundance	0.5 mM

2 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance III HD - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain of p63	[U-13C; U-15N]	1200 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	200 mM
4	TCEP	natural abundance	0.5 mM

3 3D 1H-15N NOESY

Instrument

Bruker Avance - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain of p63	[U-13C; U-15N]	1200 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	200 mM
4	TCEP	natural abundance	0.5 mM

4 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance III HD - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain of p63	[U-13C; U-15N]	1200 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	200 mM
4	TCEP	natural abundance	0.5 mM

5 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain of p63	[U-13C; U-15N]	1200 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	200 mM
4	TCEP	natural abundance	0.5 mM

6 2D 1H-15N HSQC

Instrument

Bruker Avance III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain of p63	[U-13C; U-15N]	1200 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	200 mM
4	TCEP	natural abundance	0.5 mM

7 3D HNCACB

Instrument

Bruker Avance III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain of p63	[U-13C; U-15N]	1200 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	200 mM
4	TCEP	natural abundance	0.5 mM

8 3D HN(COCA)CB

Instrument

Bruker Avance III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain of p63	[U-13C; U-15N]	1200 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	200 mM
4	TCEP	natural abundance	0.5 mM

9 3D HNCO

Instrument

Bruker Avance III HD - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain of p63	[U-13C; U-15N]	1200 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	200 mM
4	TCEP	natural abundance	0.5 mM

10 3D H(CCO)NH TOCSY

Instrument

Bruker Avance III HD - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain of p63	[U-13C; U-15N]	1200 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	200 mM
4	TCEP	natural abundance	0.5 mM

11 3D C(CO)NH TOCSY

Instrument

Bruker Avance III HD - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain of p63	[U-13C; U-15N]	1200 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	200 mM
4	TCEP	natural abundance	0.5 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_34231_6fgn.nef
Input source #2: Coordindates	6fgn.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	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:22:HIS:NE2	2:1:ZN:ZN	unknown	unknown	n/a
1:26:CYS:SG	2:1:ZN:ZN	unknown	unknown	n/a
1:31:CYS:SG	2:1:ZN:ZN	unknown	unknown	n/a
1:36:CYS:SG	2:1:ZN:ZN	unknown	unknown	n/a
1:45:HIS:NE2	2:2:ZN:ZN	unknown	unknown	n/a
1:49:CYS:SG	2:2:ZN:ZN	unknown	unknown	n/a
1:57:CYS:SG	2:2:ZN:ZN	unknown	unknown	n/a
1:60:CYS:SG	2:2:ZN:ZN	unknown	unknown	n/a
1:70:HIS:NE2	2:3:ZN:ZN	unknown	unknown	n/a
1:74:CYS:SG	2:3:ZN:ZN	unknown	unknown	n/a
1:79:CYS:SG	2:3:ZN:ZN	unknown	unknown	n/a
1:84:CYS:SG	2:3:ZN:ZN	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
B	1	ZN	ZINC ION	None
B	2	ZN	ZINC ION	None
B	3	ZN	ZINC ION	None

Sequence alignments

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

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
ATQSPGDSRRLSIQRAIQSLVHAAQCRNANCSLPSCQKMKRVVQHTKGCKRKTNGGCPICKQLIALAAYHAKHCQENKCPVPFCLNIKQKGTIEGRGNEF
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ATQSPGDSRRLSIQRAIQSLVHAAQCRNANCSLPSCQKMKRVVQHTKGCKRKTNGGCPICKQLIALAAYHAKHCQENKCPVPFCLNIKQKGTIEGRGNEF

-------110-------120----
LSPEVFQHIWDFLEQPISSVQPID
||||||||||||||||||||||||
LSPEVFQHIWDFLEQPISSVQPID

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	124	0	0	100.0

Content subtype: combined_34231_6fgn.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	12		No information
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1353		100.0 (chain: A, length: 124)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	2152 (1)	noe	100.0 (chain: A, length: 124)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	OK	158 (158)	.	85.5 (chain: A, length: 124)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 124, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 699
  - ¹³C chemical shifts: 528
  - ¹⁵N chemical shifts: 126
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- 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: A

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
22	HIS	ND1	172.704
22	HIS	NE2	218.464
45	HIS	ND1	173.161
45	HIS	NE2	220.45
70	HIS	ND1	172.386
70	HIS	NE2	221.464
73	HIS	ND1	196.679
73	HIS	NE2	183.298
108	HIS	ND1	195.801
108	HIS	NE2	178.197

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	769	698	90.8
¹³C chemical shifts	550	528	96.0
¹⁵N chemical shifts	142	116	81.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	247	241	97.6
¹³C chemical shifts	248	238	96.0
¹⁵N chemical shifts	116	115	99.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	522	457	87.5
¹³C chemical shifts	302	290	96.0
¹⁵N chemical shifts	26	1	3.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	60	59	98.3
¹³C chemical shifts	60	51	85.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	40	40	100.0
¹³C chemical shifts	39	39	100.0
¹⁵N chemical shifts	1	1	100.0

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 124, Sequence coverage: 100.0%
- Total number of restraints: 2152
- Weight of restraints: 1.0 (2152)
- Potential type of restraints: upper-bound-parabolic (2152)
- Range of distance target values: 2.37, 5.5 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
    None
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 124, Sequence coverage: 85.5%
- Total number of restraints: 158
- Total number of restraints per polymer type: 158
- Weight of restraints: 1.0 (158)
- Potential type of restraints: square-well-parabolic (158)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords ANTITUMOR PROTEIN, CREB Binding protein, p300, p53 family, p63, p73

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Found 1 Document (0.609 seconds)

BMRB: 34231

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Histone acetyltransferase p300,Tumor protein 63 (E.C.2.3.1.48,2.3.1.-), entity 1, : 1 : 6 entities Detail

Experiments performed 11 experiments Detail

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Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 4 contents Detail