BMRBj - BMREntryMaster

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	ALA	H	H	8.552	0.020	1
2	1	1	ALA	HA	H	4.436	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	CA	C	52.798	0.400	1
7	1	1	ALA	CB	C	19.285	0.400	1
8	1	1	ALA	N	N	126.203	0.400	1
9	1	2	THR	H	H	8.118	0.020	1
10	1	2	THR	HA	H	4.329	0.020	1
11	1	2	THR	HB	H	4.220	0.020	1
12	1	2	THR	HG21	H	1.208	0.020	1
13	1	2	THR	HG22	H	1.208	0.020	1
14	1	2	THR	HG23	H	1.208	0.020	1
15	1	2	THR	CA	C	61.856	0.400	1
16	1	2	THR	CB	C	69.823	0.400	1
17	1	2	THR	CG2	C	21.648	0.400	1
18	1	2	THR	N	N	113.232	0.400	1
19	1	3	GLN	H	H	8.330	0.020	1
20	1	3	GLN	HA	H	4.438	0.020	1
21	1	3	GLN	HB2	H	2.124	0.020	2
22	1	3	GLN	HB3	H	2.000	0.020	2
23	1	3	GLN	HG2	H	2.375	0.020	2
24	1	3	GLN	HG3	H	2.375	0.020	2
25	1	3	GLN	CA	C	55.665	0.400	1
26	1	3	GLN	CB	C	29.925	0.400	1
27	1	3	GLN	CG	C	33.882	0.400	1
28	1	3	GLN	N	N	122.795	0.400	1
29	1	4	SER	H	H	8.588	0.020	1
30	1	4	SER	CA	C	56.422	0.400	1
31	1	4	SER	CB	C	63.403	0.400	1
32	1	4	SER	N	N	119.289	0.400	1
33	1	5	PRO	HA	H	4.450	0.020	1
34	1	5	PRO	HB2	H	2.341	0.020	2
35	1	5	PRO	HB3	H	2.341	0.020	2
36	1	5	PRO	HG2	H	2.066	0.020	2
37	1	5	PRO	HG3	H	1.990	0.020	2
38	1	5	PRO	HD2	H	3.844	0.020	2
39	1	5	PRO	HD3	H	3.809	0.020	2
40	1	5	PRO	CA	C	64.087	0.400	1
41	1	5	PRO	CB	C	32.038	0.400	1
42	1	5	PRO	CG	C	27.503	0.400	1
43	1	5	PRO	CD	C	50.820	0.400	1
44	1	6	GLY	H	H	8.453	0.020	1
45	1	6	GLY	HA2	H	3.949	0.020	2
46	1	6	GLY	HA3	H	3.949	0.020	2
47	1	6	GLY	CA	C	45.762	0.400	1
48	1	6	GLY	N	N	108.250	0.400	1
49	1	7	ASP	H	H	8.098	0.020	1
50	1	7	ASP	HA	H	4.624	0.020	1
51	1	7	ASP	HB2	H	2.746	0.020	2
52	1	7	ASP	HB3	H	2.746	0.020	2
53	1	7	ASP	CA	C	55.197	0.400	1
54	1	7	ASP	CB	C	41.326	0.400	1
55	1	7	ASP	N	N	121.227	0.400	1
56	1	8	SER	H	H	8.386	0.020	1
57	1	8	SER	HA	H	4.285	0.020	1
58	1	8	SER	HB2	H	3.970	0.020	2
59	1	8	SER	HB3	H	3.970	0.020	2
60	1	8	SER	CA	C	60.404	0.400	1
61	1	8	SER	CB	C	63.242	0.400	1
62	1	8	SER	N	N	116.864	0.400	1
63	1	9	ARG	H	H	8.294	0.020	1
64	1	9	ARG	HA	H	4.192	0.020	1
65	1	9	ARG	HB2	H	1.863	0.020	2
66	1	9	ARG	HB3	H	1.863	0.020	2
67	1	9	ARG	HG2	H	1.655	0.020	2
68	1	9	ARG	HG3	H	1.551	0.020	2
69	1	9	ARG	HD2	H	3.123	0.020	2
70	1	9	ARG	HD3	H	3.123	0.020	2
71	1	9	ARG	CA	C	58.318	0.400	1
72	1	9	ARG	CB	C	29.986	0.400	1
73	1	9	ARG	CG	C	27.381	0.400	1
74	1	9	ARG	CD	C	43.284	0.400	1
75	1	9	ARG	N	N	122.998	0.400	1
76	1	10	ARG	H	H	7.998	0.020	1
77	1	10	ARG	HA	H	4.041	0.020	1
78	1	10	ARG	HB2	H	1.866	0.020	2
79	1	10	ARG	HB3	H	1.866	0.020	2
80	1	10	ARG	HG2	H	1.662	0.020	2
81	1	10	ARG	HG3	H	1.536	0.020	2
82	1	10	ARG	HD2	H	3.185	0.020	2
83	1	10	ARG	HD3	H	3.185	0.020	2
84	1	10	ARG	CA	C	58.697	0.400	1
85	1	10	ARG	CB	C	30.207	0.400	1
86	1	10	ARG	CG	C	27.643	0.400	1
87	1	10	ARG	CD	C	43.328	0.400	1
88	1	10	ARG	N	N	119.619	0.400	1
89	1	11	LEU	H	H	8.131	0.020	1
90	1	11	LEU	HA	H	4.207	0.020	1
91	1	11	LEU	HB2	H	1.760	0.020	2
92	1	11	LEU	HB3	H	1.760	0.020	2
93	1	11	LEU	HG	H	1.669	0.020	1
94	1	11	LEU	HD11	H	0.891	0.020	2
95	1	11	LEU	HD12	H	0.891	0.020	2
96	1	11	LEU	HD13	H	0.891	0.020	2
97	1	11	LEU	HD21	H	0.891	0.020	2
98	1	11	LEU	HD22	H	0.891	0.020	2
99	1	11	LEU	HD23	H	0.891	0.020	2
100	1	11	LEU	CA	C	57.163	0.400	1
101	1	11	LEU	CB	C	41.921	0.400	1
102	1	11	LEU	CG	C	27.113	0.400	1
103	1	11	LEU	CD1	C	24.743	0.400	2
104	1	11	LEU	CD2	C	23.683	0.400	2
105	1	11	LEU	N	N	120.632	0.400	1
106	1	12	SER	H	H	8.123	0.020	1
107	1	12	SER	HA	H	4.283	0.020	1
108	1	12	SER	HB2	H	4.108	0.020	2
109	1	12	SER	HB3	H	4.007	0.020	2
110	1	12	SER	CA	C	61.076	0.400	1
111	1	12	SER	CB	C	63.160	0.400	1
112	1	12	SER	N	N	116.206	0.400	1
113	1	13	ILE	H	H	8.128	0.020	1
114	1	13	ILE	HA	H	4.170	0.020	1
115	1	13	ILE	HB	H	1.756	0.020	1
116	1	13	ILE	HG12	H	1.466	0.020	2
117	1	13	ILE	HG13	H	0.785	0.020	2
118	1	13	ILE	HG21	H	0.524	0.020	1
119	1	13	ILE	HG22	H	0.524	0.020	1
120	1	13	ILE	HG23	H	0.524	0.020	1
121	1	13	ILE	HD11	H	0.530	0.020	1
122	1	13	ILE	HD12	H	0.530	0.020	1
123	1	13	ILE	HD13	H	0.530	0.020	1
124	1	13	ILE	CA	C	64.876	0.400	1
125	1	13	ILE	CB	C	37.668	0.400	1
126	1	13	ILE	CG1	C	29.192	0.400	1
127	1	13	ILE	CG2	C	17.123	0.400	1
128	1	13	ILE	CD1	C	13.099	0.400	1
129	1	13	ILE	N	N	123.223	0.400	1
130	1	14	GLN	H	H	8.097	0.020	1
131	1	14	GLN	HA	H	3.990	0.020	1
132	1	14	GLN	HB2	H	2.194	0.020	2
133	1	14	GLN	HB3	H	2.194	0.020	2
134	1	14	GLN	HG2	H	2.487	0.020	2
135	1	14	GLN	HG3	H	2.450	0.020	2
136	1	14	GLN	CA	C	59.479	0.400	1
137	1	14	GLN	CB	C	28.259	0.400	1
138	1	14	GLN	CG	C	34.075	0.400	1
139	1	14	GLN	N	N	118.904	0.400	1
140	1	15	ARG	H	H	8.195	0.020	1
141	1	15	ARG	HA	H	4.125	0.020	1
142	1	15	ARG	HB2	H	1.951	0.020	2
143	1	15	ARG	HB3	H	1.850	0.020	2
144	1	15	ARG	HG2	H	1.663	0.020	2
145	1	15	ARG	HG3	H	1.663	0.020	2
146	1	15	ARG	HD2	H	3.235	0.020	2
147	1	15	ARG	HD3	H	3.235	0.020	2
148	1	15	ARG	CA	C	59.370	0.400	1
149	1	15	ARG	CB	C	30.221	0.400	1
150	1	15	ARG	CG	C	27.958	0.400	1
151	1	15	ARG	CD	C	43.535	0.400	1
152	1	15	ARG	N	N	119.078	0.400	1
153	1	16	ALA	H	H	8.088	0.020	1
154	1	16	ALA	HA	H	4.155	0.020	1
155	1	16	ALA	HB1	H	1.485	0.020	1
156	1	16	ALA	HB2	H	1.485	0.020	1
157	1	16	ALA	HB3	H	1.485	0.020	1
158	1	16	ALA	CA	C	55.480	0.400	1
159	1	16	ALA	CB	C	18.571	0.400	1
160	1	16	ALA	N	N	123.986	0.400	1
161	1	17	ILE	H	H	8.566	0.020	1
162	1	17	ILE	HA	H	3.670	0.020	1
163	1	17	ILE	HB	H	2.107	0.020	1
164	1	17	ILE	HG12	H	1.224	0.020	2
165	1	17	ILE	HG13	H	1.224	0.020	2
166	1	17	ILE	HG21	H	1.073	0.020	1
167	1	17	ILE	HG22	H	1.073	0.020	1
168	1	17	ILE	HG23	H	1.073	0.020	1
169	1	17	ILE	HD11	H	0.940	0.020	1
170	1	17	ILE	HD12	H	0.940	0.020	1
171	1	17	ILE	HD13	H	0.940	0.020	1
172	1	17	ILE	CA	C	65.211	0.400	1
173	1	17	ILE	CB	C	37.516	0.400	1
174	1	17	ILE	CG1	C	29.566	0.400	1
175	1	17	ILE	CG2	C	18.407	0.400	1
176	1	17	ILE	CD1	C	14.383	0.400	1
177	1	17	ILE	N	N	118.206	0.400	1
178	1	18	GLN	H	H	8.173	0.020	1
179	1	18	GLN	HA	H	4.077	0.020	1
180	1	18	GLN	HB2	H	2.286	0.020	2
181	1	18	GLN	HB3	H	2.196	0.020	2
182	1	18	GLN	HG2	H	2.619	0.020	2
183	1	18	GLN	HG3	H	2.501	0.020	2
184	1	18	GLN	CA	C	59.298	0.400	1
185	1	18	GLN	CB	C	28.130	0.400	1
186	1	18	GLN	CG	C	34.160	0.400	1
187	1	18	GLN	N	N	118.811	0.400	1
188	1	19	SER	H	H	8.191	0.020	1
189	1	19	SER	HA	H	4.381	0.020	1
190	1	19	SER	CA	C	61.931	0.400	1
191	1	19	SER	CB	C	62.986	0.400	1
192	1	19	SER	N	N	116.044	0.400	1
193	1	20	LEU	H	H	8.250	0.020	1
194	1	20	LEU	HA	H	4.027	0.020	1
195	1	20	LEU	HB2	H	2.091	0.020	2
196	1	20	LEU	HB3	H	1.640	0.020	2
197	1	20	LEU	HG	H	1.495	0.020	1
198	1	20	LEU	HD11	H	0.834	0.020	2
199	1	20	LEU	HD12	H	0.834	0.020	2
200	1	20	LEU	HD13	H	0.834	0.020	2
201	1	20	LEU	HD21	H	0.891	0.020	2
202	1	20	LEU	HD22	H	0.891	0.020	2
203	1	20	LEU	HD23	H	0.891	0.020	2
204	1	20	LEU	CA	C	58.652	0.400	1
205	1	20	LEU	CB	C	42.266	0.400	1
206	1	20	LEU	CG	C	27.289	0.400	1
207	1	20	LEU	CD1	C	25.975	0.400	2
208	1	20	LEU	CD2	C	23.465	0.400	2
209	1	20	LEU	N	N	125.406	0.400	1
210	1	21	VAL	H	H	8.519	0.020	1
211	1	21	VAL	HA	H	3.276	0.020	1
212	1	21	VAL	HB	H	2.097	0.020	1
213	1	21	VAL	HG11	H	0.920	0.020	2
214	1	21	VAL	HG12	H	0.920	0.020	2
215	1	21	VAL	HG13	H	0.920	0.020	2
216	1	21	VAL	HG21	H	0.920	0.020	2
217	1	21	VAL	HG22	H	0.920	0.020	2
218	1	21	VAL	HG23	H	0.920	0.020	2
219	1	21	VAL	CA	C	66.910	0.400	1
220	1	21	VAL	CB	C	31.772	0.400	1
221	1	21	VAL	CG1	C	23.343	0.400	2
222	1	21	VAL	CG2	C	21.025	0.400	2
223	1	21	VAL	N	N	118.544	0.400	1
224	1	22	HIS	H	H	7.932	0.020	1
225	1	22	HIS	HA	H	4.197	0.020	1
226	1	22	HIS	HB2	H	3.281	0.020	2
227	1	22	HIS	HB3	H	3.281	0.020	2
228	1	22	HIS	HD2	H	7.181	0.020	1
229	1	22	HIS	HE1	H	7.950	0.020	1
230	1	22	HIS	CA	C	60.178	0.400	1
231	1	22	HIS	CB	C	27.803	0.400	1
232	1	22	HIS	CD2	C	129.630	0.400	1
233	1	22	HIS	CE1	C	139.492	0.400	1
234	1	22	HIS	N	N	115.729	0.400	1
235	1	22	HIS	ND1	N	172.448	0.400	1
236	1	22	HIS	NE2	N	218.406	0.400	1
237	1	23	ALA	H	H	8.607	0.020	1
238	1	23	ALA	HA	H	4.150	0.020	1
239	1	23	ALA	HB1	H	1.561	0.020	1
240	1	23	ALA	HB2	H	1.561	0.020	1
241	1	23	ALA	HB3	H	1.561	0.020	1
242	1	23	ALA	CA	C	55.146	0.400	1
243	1	23	ALA	CB	C	19.809	0.400	1
244	1	23	ALA	N	N	121.252	0.400	1
245	1	24	ALA	H	H	8.230	0.020	1
246	1	24	ALA	HA	H	4.047	0.020	1
247	1	24	ALA	HB1	H	1.373	0.020	1
248	1	24	ALA	HB2	H	1.373	0.020	1
249	1	24	ALA	HB3	H	1.373	0.020	1
250	1	24	ALA	CA	C	53.993	0.400	1
251	1	24	ALA	CB	C	18.553	0.400	1
252	1	24	ALA	N	N	116.504	0.400	1
253	1	25	GLN	H	H	7.208	0.020	1
254	1	25	GLN	HA	H	4.481	0.020	1
255	1	25	GLN	HB2	H	2.163	0.020	2
256	1	25	GLN	HB3	H	1.994	0.020	2
257	1	25	GLN	HG2	H	2.467	0.020	2
258	1	25	GLN	HG3	H	2.280	0.020	2
259	1	25	GLN	CA	C	54.508	0.400	1
260	1	25	GLN	CB	C	30.772	0.400	1
261	1	25	GLN	CG	C	33.456	0.400	1
262	1	25	GLN	N	N	111.802	0.400	1
263	1	26	CYS	H	H	7.275	0.020	1
264	1	26	CYS	HA	H	3.887	0.020	1
265	1	26	CYS	HB2	H	2.538	0.020	2
266	1	26	CYS	HB3	H	2.057	0.020	2
267	1	26	CYS	CA	C	60.864	0.400	1
268	1	26	CYS	CB	C	29.208	0.400	1
269	1	26	CYS	N	N	124.314	0.400	1
270	1	27	ARG	H	H	8.879	0.020	1
271	1	27	ARG	HA	H	4.593	0.020	1
272	1	27	ARG	HB2	H	2.139	0.020	2
273	1	27	ARG	HB3	H	2.139	0.020	2
274	1	27	ARG	HG2	H	1.627	0.020	2
275	1	27	ARG	HG3	H	1.627	0.020	2
276	1	27	ARG	HD2	H	3.179	0.020	2
277	1	27	ARG	HD3	H	3.179	0.020	2
278	1	27	ARG	CA	C	54.645	0.400	1
279	1	27	ARG	CB	C	30.103	0.400	1
280	1	27	ARG	CG	C	26.934	0.400	1
281	1	27	ARG	CD	C	43.207	0.400	1
282	1	27	ARG	N	N	129.562	0.400	1
283	1	28	ASN	H	H	7.898	0.020	1
284	1	28	ASN	HA	H	4.840	0.020	1
285	1	28	ASN	HB2	H	2.975	0.020	2
286	1	28	ASN	HB3	H	2.853	0.020	2
287	1	28	ASN	CA	C	51.843	0.400	1
288	1	28	ASN	CB	C	39.070	0.400	1
289	1	28	ASN	N	N	120.386	0.400	1
290	1	29	ALA	H	H	9.147	0.020	1
291	1	29	ALA	HA	H	4.085	0.020	1
292	1	29	ALA	HB1	H	1.431	0.020	1
293	1	29	ALA	HB2	H	1.431	0.020	1
294	1	29	ALA	HB3	H	1.431	0.020	1
295	1	29	ALA	CA	C	54.436	0.400	1
296	1	29	ALA	CB	C	18.462	0.400	1
297	1	29	ALA	N	N	130.376	0.400	1
298	1	30	ASN	H	H	8.071	0.020	1
299	1	30	ASN	HA	H	4.847	0.020	1
300	1	30	ASN	HB2	H	2.950	0.020	2
301	1	30	ASN	HB3	H	2.607	0.020	2
302	1	30	ASN	CA	C	51.892	0.400	1
303	1	30	ASN	CB	C	38.859	0.400	1
304	1	30	ASN	N	N	114.063	0.400	1
305	1	31	CYS	H	H	7.163	0.020	1
306	1	31	CYS	HA	H	4.026	0.020	1
307	1	31	CYS	HB2	H	3.003	0.020	2
308	1	31	CYS	HB3	H	3.003	0.020	2
309	1	31	CYS	CA	C	61.743	0.400	1
310	1	31	CYS	CB	C	29.996	0.400	1
311	1	31	CYS	N	N	123.084	0.400	1
312	1	32	SER	H	H	8.798	0.020	1
313	1	32	SER	HA	H	4.588	0.020	1
314	1	32	SER	HB2	H	4.119	0.020	2
315	1	32	SER	HB3	H	3.868	0.020	2
316	1	32	SER	CA	C	57.941	0.400	1
317	1	32	SER	CB	C	64.049	0.400	1
318	1	32	SER	N	N	124.349	0.400	1
319	1	33	LEU	H	H	8.506	0.020	1
320	1	33	LEU	CA	C	54.281	0.400	1
321	1	33	LEU	CB	C	40.925	0.400	1
322	1	33	LEU	N	N	128.674	0.400	1
323	1	34	PRO	HA	H	4.317	0.020	1
324	1	34	PRO	HB2	H	2.397	0.020	2
325	1	34	PRO	HB3	H	2.177	0.020	2
326	1	34	PRO	HG2	H	2.061	0.020	2
327	1	34	PRO	HG3	H	2.003	0.020	2
328	1	34	PRO	HD2	H	4.205	0.020	2
329	1	34	PRO	HD3	H	3.767	0.020	2
330	1	34	PRO	CA	C	65.368	0.400	1
331	1	34	PRO	CB	C	31.904	0.400	1
332	1	34	PRO	CG	C	27.823	0.400	1
333	1	34	PRO	CD	C	51.035	0.400	1
334	1	35	SER	H	H	8.358	0.020	1
335	1	35	SER	HA	H	4.263	0.020	1
336	1	35	SER	HB2	H	4.086	0.020	2
337	1	35	SER	HB3	H	3.998	0.020	2
338	1	35	SER	CA	C	60.465	0.400	1
339	1	35	SER	CB	C	63.041	0.400	1
340	1	35	SER	N	N	111.823	0.400	1
341	1	36	CYS	H	H	7.496	0.020	1
342	1	36	CYS	CA	C	63.938	0.400	1
343	1	36	CYS	CB	C	29.775	0.400	1
344	1	36	CYS	N	N	125.600	0.400	1
345	1	37	GLN	H	H	8.174	0.020	1
346	1	37	GLN	HA	H	3.964	0.020	1
347	1	37	GLN	HB2	H	2.183	0.020	2
348	1	37	GLN	HB3	H	2.129	0.020	2
349	1	37	GLN	HG2	H	2.532	0.020	2
350	1	37	GLN	HG3	H	2.475	0.020	2
351	1	37	GLN	CA	C	59.877	0.400	1
352	1	37	GLN	CB	C	28.166	0.400	1
353	1	37	GLN	CG	C	34.121	0.400	1
354	1	37	GLN	N	N	115.935	0.400	1
355	1	38	LYS	H	H	7.957	0.020	1
356	1	38	LYS	HA	H	4.045	0.020	1
357	1	38	LYS	HB2	H	1.818	0.020	2
358	1	38	LYS	HB3	H	1.818	0.020	2
359	1	38	LYS	HG2	H	1.376	0.020	2
360	1	38	LYS	HG3	H	1.376	0.020	2
361	1	38	LYS	HD2	H	1.646	0.020	2
362	1	38	LYS	HD3	H	1.538	0.020	2
363	1	38	LYS	HE2	H	2.912	0.020	2
364	1	38	LYS	HE3	H	2.912	0.020	2
365	1	38	LYS	CA	C	59.608	0.400	1
366	1	38	LYS	CB	C	32.700	0.400	1
367	1	38	LYS	CG	C	25.288	0.400	1
368	1	38	LYS	CD	C	29.549	0.400	1
369	1	38	LYS	CE	C	42.196	0.400	1
370	1	38	LYS	N	N	117.232	0.400	1
371	1	39	MET	H	H	8.283	0.020	1
372	1	39	MET	HA	H	4.557	0.020	1
373	1	39	MET	HB2	H	2.321	0.020	2
374	1	39	MET	HB3	H	1.863	0.020	2
375	1	39	MET	HG2	H	2.701	0.020	2
376	1	39	MET	HG3	H	2.531	0.020	2
377	1	39	MET	HE1	H	1.931	0.020	1
378	1	39	MET	HE2	H	1.931	0.020	1
379	1	39	MET	HE3	H	1.931	0.020	1
380	1	39	MET	CA	C	56.699	0.400	1
381	1	39	MET	CB	C	31.780	0.400	1
382	1	39	MET	CG	C	33.442	0.400	1
383	1	39	MET	CE	C	17.236	0.400	1
384	1	39	MET	N	N	118.055	0.400	1
385	1	40	LYS	H	H	9.517	0.020	1
386	1	40	LYS	HA	H	3.808	0.020	1
387	1	40	LYS	HB2	H	2.126	0.020	2
388	1	40	LYS	HB3	H	1.971	0.020	2
389	1	40	LYS	HG2	H	1.374	0.020	2
390	1	40	LYS	HG3	H	1.374	0.020	2
391	1	40	LYS	HD2	H	1.837	0.020	2
392	1	40	LYS	HD3	H	1.671	0.020	2
393	1	40	LYS	HE2	H	3.262	0.020	2
394	1	40	LYS	HE3	H	3.126	0.020	2
395	1	40	LYS	CA	C	61.442	0.400	1
396	1	40	LYS	CB	C	32.770	0.400	1
397	1	40	LYS	CG	C	27.407	0.400	1
398	1	40	LYS	CD	C	30.110	0.400	1
399	1	40	LYS	CE	C	42.954	0.400	1
400	1	40	LYS	N	N	121.877	0.400	1
401	1	41	ARG	H	H	7.555	0.020	1
402	1	41	ARG	HA	H	4.167	0.020	1
403	1	41	ARG	HB2	H	2.138	0.020	2
404	1	41	ARG	HB3	H	1.979	0.020	2
405	1	41	ARG	HG2	H	1.708	0.020	2
406	1	41	ARG	HG3	H	1.708	0.020	2
407	1	41	ARG	HD2	H	3.262	0.020	2
408	1	41	ARG	HD3	H	3.262	0.020	2
409	1	41	ARG	CA	C	59.615	0.400	1
410	1	41	ARG	CB	C	29.990	0.400	1
411	1	41	ARG	CG	C	27.940	0.400	1
412	1	41	ARG	CD	C	43.679	0.400	1
413	1	41	ARG	N	N	117.991	0.400	1
414	1	42	VAL	H	H	7.619	0.020	1
415	1	42	VAL	HA	H	3.720	0.020	1
416	1	42	VAL	HB	H	2.405	0.020	1
417	1	42	VAL	HG11	H	1.044	0.020	2
418	1	42	VAL	HG12	H	1.044	0.020	2
419	1	42	VAL	HG13	H	1.044	0.020	2
420	1	42	VAL	HG21	H	0.914	0.020	2
421	1	42	VAL	HG22	H	0.914	0.020	2
422	1	42	VAL	HG23	H	0.914	0.020	2
423	1	42	VAL	CA	C	66.664	0.400	1
424	1	42	VAL	CB	C	31.448	0.400	1
425	1	42	VAL	CG1	C	22.846	0.400	2
426	1	42	VAL	N	N	121.670	0.400	1
427	1	43	VAL	H	H	8.437	0.020	1
428	1	43	VAL	HA	H	3.490	0.020	1
429	1	43	VAL	HB	H	2.216	0.020	1
430	1	43	VAL	HG11	H	0.945	0.020	2
431	1	43	VAL	HG12	H	0.945	0.020	2
432	1	43	VAL	HG13	H	0.945	0.020	2
433	1	43	VAL	HG21	H	0.945	0.020	2
434	1	43	VAL	HG22	H	0.945	0.020	2
435	1	43	VAL	HG23	H	0.945	0.020	2
436	1	43	VAL	CA	C	67.376	0.400	1
437	1	43	VAL	CB	C	31.553	0.400	1
438	1	43	VAL	CG1	C	23.148	0.400	2
439	1	43	VAL	CG2	C	21.453	0.400	2
440	1	43	VAL	N	N	120.504	0.400	1
441	1	44	GLN	H	H	8.386	0.020	1
442	1	44	GLN	HA	H	3.972	0.020	1
443	1	44	GLN	HB2	H	2.205	0.020	2
444	1	44	GLN	HB3	H	2.167	0.020	2
445	1	44	GLN	HG2	H	2.494	0.020	2
446	1	44	GLN	HG3	H	2.494	0.020	2
447	1	44	GLN	CA	C	58.886	0.400	1
448	1	44	GLN	CB	C	28.087	0.400	1
449	1	44	GLN	CG	C	33.711	0.400	1
450	1	44	GLN	N	N	119.114	0.400	1
451	1	45	HIS	H	H	8.132	0.020	1
452	1	45	HIS	HA	H	4.251	0.020	1
453	1	45	HIS	HB2	H	3.896	0.020	2
454	1	45	HIS	HB3	H	3.363	0.020	2
455	1	45	HIS	HD2	H	6.928	0.020	1
456	1	45	HIS	HE1	H	8.083	0.020	1
457	1	45	HIS	CA	C	59.897	0.400	1
458	1	45	HIS	CB	C	27.193	0.400	1
459	1	45	HIS	CD2	C	128.953	0.400	1
460	1	45	HIS	CE1	C	140.118	0.400	1
461	1	45	HIS	N	N	119.095	0.400	1
462	1	45	HIS	ND1	N	173.060	0.400	1
463	1	45	HIS	NE2	N	220.253	0.400	1
464	1	46	THR	H	H	7.850	0.020	1
465	1	46	THR	HA	H	3.830	0.020	1
466	1	46	THR	HB	H	4.212	0.020	1
467	1	46	THR	HG21	H	1.652	0.020	1
468	1	46	THR	HG22	H	1.652	0.020	1
469	1	46	THR	HG23	H	1.652	0.020	1
470	1	46	THR	CA	C	65.725	0.400	1
471	1	46	THR	CB	C	69.530	0.400	1
472	1	46	THR	CG2	C	22.148	0.400	1
473	1	46	THR	N	N	110.370	0.400	1
474	1	47	LYS	H	H	7.329	0.020	1
475	1	47	LYS	HA	H	4.064	0.020	1
476	1	47	LYS	HB2	H	1.866	0.020	2
477	1	47	LYS	HB3	H	1.866	0.020	2
478	1	47	LYS	HG2	H	1.429	0.020	2
479	1	47	LYS	HG3	H	1.429	0.020	2
480	1	47	LYS	HD2	H	1.638	0.020	2
481	1	47	LYS	HD3	H	1.638	0.020	2
482	1	47	LYS	HE2	H	2.883	0.020	2
483	1	47	LYS	HE3	H	2.883	0.020	2
484	1	47	LYS	CA	C	58.672	0.400	1
485	1	47	LYS	CB	C	32.118	0.400	1
486	1	47	LYS	CG	C	25.312	0.400	1
487	1	47	LYS	CD	C	29.172	0.400	1
488	1	47	LYS	CE	C	42.265	0.400	1
489	1	47	LYS	N	N	120.287	0.400	1
490	1	48	GLY	H	H	7.152	0.020	1
491	1	48	GLY	HA2	H	4.373	0.020	2
492	1	48	GLY	HA3	H	3.625	0.020	2
493	1	48	GLY	CA	C	44.684	0.400	1
494	1	48	GLY	N	N	103.909	0.400	1
495	1	49	CYS	H	H	6.912	0.020	1
496	1	49	CYS	HA	H	3.969	0.020	1
497	1	49	CYS	HB2	H	2.708	0.020	2
498	1	49	CYS	HB3	H	2.043	0.020	2
499	1	49	CYS	CA	C	61.154	0.400	1
500	1	49	CYS	CB	C	29.811	0.400	1
501	1	49	CYS	N	N	123.256	0.400	1
502	1	50	LYS	H	H	8.994	0.020	1
503	1	50	LYS	HA	H	4.506	0.020	1
504	1	50	LYS	HB2	H	2.062	0.020	2
505	1	50	LYS	HB3	H	1.832	0.020	2
506	1	50	LYS	HG2	H	1.613	0.020	2
507	1	50	LYS	HG3	H	1.528	0.020	2
508	1	50	LYS	HD2	H	1.721	0.020	2
509	1	50	LYS	HD3	H	1.721	0.020	2
510	1	50	LYS	HE2	H	3.054	0.020	2
511	1	50	LYS	HE3	H	3.054	0.020	2
512	1	50	LYS	CA	C	56.595	0.400	1
513	1	50	LYS	CB	C	32.840	0.400	1
514	1	50	LYS	CG	C	25.039	0.400	1
515	1	50	LYS	CD	C	28.882	0.400	1
516	1	50	LYS	CE	C	42.327	0.400	1
517	1	50	LYS	N	N	128.150	0.400	1
518	1	51	ARG	H	H	8.517	0.020	1
519	1	51	ARG	HA	H	4.393	0.020	1
520	1	51	ARG	HB2	H	1.797	0.020	2
521	1	51	ARG	HB3	H	1.797	0.020	2
522	1	51	ARG	HG2	H	1.852	0.020	2
523	1	51	ARG	HG3	H	1.852	0.020	2
524	1	51	ARG	HD2	H	3.283	0.020	2
525	1	51	ARG	HD3	H	3.283	0.020	2
526	1	51	ARG	CA	C	57.674	0.400	1
527	1	51	ARG	CB	C	31.658	0.400	1
528	1	51	ARG	CG	C	27.736	0.400	1
529	1	51	ARG	CD	C	43.718	0.400	1
530	1	51	ARG	N	N	122.401	0.400	1
531	1	52	LYS	H	H	8.468	0.020	1
532	1	52	LYS	HA	H	4.517	0.020	1
533	1	52	LYS	HB2	H	2.299	0.020	2
534	1	52	LYS	HB3	H	2.055	0.020	2
535	1	52	LYS	HG2	H	1.376	0.020	2
536	1	52	LYS	HG3	H	1.376	0.020	2
537	1	52	LYS	HD2	H	1.774	0.020	2
538	1	52	LYS	HD3	H	1.610	0.020	2
539	1	52	LYS	HE2	H	3.161	0.020	2
540	1	52	LYS	HE3	H	3.161	0.020	2
541	1	52	LYS	CA	C	57.716	0.400	1
542	1	52	LYS	CB	C	32.282	0.400	1
543	1	52	LYS	CG	C	24.844	0.400	1
544	1	52	LYS	CD	C	29.754	0.400	1
545	1	52	LYS	CE	C	42.712	0.400	1
546	1	52	LYS	N	N	118.753	0.400	1
547	1	53	THR	H	H	7.766	0.020	1
548	1	53	THR	CA	C	63.878	0.400	1
549	1	53	THR	CB	C	68.821	0.400	1
550	1	53	THR	N	N	112.969	0.400	1
551	1	54	ASN	HA	H	4.714	0.020	1
552	1	54	ASN	HB2	H	2.870	0.020	2
553	1	54	ASN	HB3	H	2.870	0.020	2
554	1	54	ASN	CA	C	53.812	0.400	1
555	1	54	ASN	CB	C	38.287	0.400	1
556	1	55	GLY	H	H	7.968	0.020	1
557	1	55	GLY	HA2	H	3.977	0.020	2
558	1	55	GLY	HA3	H	3.977	0.020	2
559	1	55	GLY	CA	C	45.809	0.400	1
560	1	55	GLY	N	N	107.378	0.400	1
561	1	56	GLY	H	H	7.796	0.020	1
562	1	56	GLY	HA2	H	3.990	0.020	2
563	1	56	GLY	HA3	H	3.876	0.020	2
564	1	56	GLY	CA	C	45.548	0.400	1
565	1	56	GLY	N	N	107.056	0.400	1
566	1	57	CYS	H	H	8.013	0.020	1
567	1	57	CYS	CA	C	55.625	0.400	1
568	1	57	CYS	CB	C	30.728	0.400	1
569	1	57	CYS	N	N	122.484	0.400	1
570	1	58	PRO	HA	H	4.300	0.020	1
571	1	58	PRO	HB2	H	2.341	0.020	2
572	1	58	PRO	HB3	H	2.341	0.020	2
573	1	58	PRO	HG2	H	2.083	0.020	2
574	1	58	PRO	HG3	H	1.902	0.020	2
575	1	58	PRO	HD2	H	4.042	0.020	2
576	1	58	PRO	HD3	H	4.042	0.020	2
577	1	58	PRO	CA	C	65.027	0.400	1
578	1	58	PRO	CB	C	32.457	0.400	1
579	1	58	PRO	CG	C	27.357	0.400	1
580	1	58	PRO	CD	C	51.532	0.400	1
581	1	59	ILE	H	H	7.811	0.020	1
582	1	59	ILE	HA	H	3.740	0.020	1
583	1	59	ILE	HB	H	1.483	0.020	1
584	1	59	ILE	HG12	H	0.900	0.020	2
585	1	59	ILE	HG13	H	0.900	0.020	2
586	1	59	ILE	HG21	H	0.705	0.020	1
587	1	59	ILE	HG22	H	0.705	0.020	1
588	1	59	ILE	HG23	H	0.705	0.020	1
589	1	59	ILE	HD11	H	0.422	0.020	1
590	1	59	ILE	HD12	H	0.422	0.020	1
591	1	59	ILE	HD13	H	0.422	0.020	1
592	1	59	ILE	CA	C	64.847	0.400	1
593	1	59	ILE	CB	C	39.013	0.400	1
594	1	59	ILE	CG1	C	27.934	0.400	1
595	1	59	ILE	CG2	C	18.336	0.400	1
596	1	59	ILE	CD1	C	12.701	0.400	1
597	1	59	ILE	N	N	121.297	0.400	1
598	1	60	CYS	H	H	8.888	0.020	1
599	1	60	CYS	CA	C	66.369	0.400	1
600	1	60	CYS	CB	C	29.283	0.400	1
601	1	60	CYS	N	N	123.650	0.400	1
602	1	61	LYS	HA	H	3.848	0.020	1
603	1	61	LYS	HB2	H	1.832	0.020	2
604	1	61	LYS	HB3	H	1.752	0.020	2
605	1	61	LYS	HG2	H	1.327	0.020	2
606	1	61	LYS	HG3	H	1.327	0.020	2
607	1	61	LYS	HE2	H	2.877	0.020	2
608	1	61	LYS	HE3	H	2.877	0.020	2
609	1	61	LYS	CA	C	60.127	0.400	1
610	1	61	LYS	CB	C	32.653	0.400	1
611	1	61	LYS	CG	C	25.477	0.400	1
612	1	61	LYS	CD	C	29.503	0.400	1
613	1	61	LYS	CE	C	41.948	0.400	1
614	1	62	GLN	H	H	7.304	0.020	1
615	1	62	GLN	HA	H	4.151	0.020	1
616	1	62	GLN	HB2	H	2.339	0.020	2
617	1	62	GLN	HB3	H	2.339	0.020	2
618	1	62	GLN	HG2	H	2.231	0.020	2
619	1	62	GLN	HG3	H	2.231	0.020	2
620	1	62	GLN	CA	C	58.641	0.400	1
621	1	62	GLN	CB	C	28.855	0.400	1
622	1	62	GLN	CG	C	34.264	0.400	1
623	1	62	GLN	N	N	117.651	0.400	1
624	1	63	LEU	H	H	8.169	0.020	1
625	1	63	LEU	HB2	H	1.917	0.020	2
626	1	63	LEU	HB3	H	1.917	0.020	2
627	1	63	LEU	HG	H	2.006	0.020	1
628	1	63	LEU	HD11	H	1.040	0.020	2
629	1	63	LEU	HD12	H	1.040	0.020	2
630	1	63	LEU	HD13	H	1.040	0.020	2
631	1	63	LEU	HD21	H	1.040	0.020	2
632	1	63	LEU	HD22	H	1.040	0.020	2
633	1	63	LEU	HD23	H	1.040	0.020	2
634	1	63	LEU	CA	C	58.016	0.400	1
635	1	63	LEU	CB	C	41.831	0.400	1
636	1	63	LEU	CG	C	27.536	0.400	1
637	1	63	LEU	CD1	C	25.162	0.400	2
638	1	63	LEU	N	N	120.151	0.400	1
639	1	64	ILE	H	H	8.533	0.020	1
640	1	64	ILE	HA	H	3.549	0.020	1
641	1	64	ILE	HB	H	1.431	0.020	1
642	1	64	ILE	HG12	H	1.074	0.020	2
643	1	64	ILE	HG13	H	1.074	0.020	2
644	1	64	ILE	HG21	H	0.768	0.020	1
645	1	64	ILE	HG22	H	0.768	0.020	1
646	1	64	ILE	HG23	H	0.768	0.020	1
647	1	64	ILE	HD11	H	0.371	0.020	1
648	1	64	ILE	HD12	H	0.371	0.020	1
649	1	64	ILE	HD13	H	0.371	0.020	1
650	1	64	ILE	CA	C	65.457	0.400	1
651	1	64	ILE	CB	C	37.346	0.400	1
652	1	64	ILE	CG1	C	30.018	0.400	1
653	1	64	ILE	CG2	C	17.213	0.400	1
654	1	64	ILE	CD1	C	13.492	0.400	1
655	1	64	ILE	N	N	120.188	0.400	1
656	1	65	ALA	H	H	7.341	0.020	1
657	1	65	ALA	HA	H	4.111	0.020	1
658	1	65	ALA	HB1	H	1.514	0.020	1
659	1	65	ALA	HB2	H	1.514	0.020	1
660	1	65	ALA	HB3	H	1.514	0.020	1
661	1	65	ALA	CA	C	55.217	0.400	1
662	1	65	ALA	CB	C	18.236	0.400	1
663	1	65	ALA	N	N	122.175	0.400	1
664	1	66	LEU	H	H	7.809	0.020	1
665	1	66	LEU	HA	H	4.113	0.020	1
666	1	66	LEU	HB2	H	1.917	0.020	2
667	1	66	LEU	HB3	H	1.917	0.020	2
668	1	66	LEU	HG	H	1.827	0.020	1
669	1	66	LEU	HD11	H	0.789	0.020	2
670	1	66	LEU	HD12	H	0.789	0.020	2
671	1	66	LEU	HD13	H	0.789	0.020	2
672	1	66	LEU	HD21	H	0.751	0.020	2
673	1	66	LEU	HD22	H	0.751	0.020	2
674	1	66	LEU	HD23	H	0.751	0.020	2
675	1	66	LEU	CA	C	57.917	0.400	1
676	1	66	LEU	CB	C	42.354	0.400	1
677	1	66	LEU	CG	C	26.580	0.400	1
678	1	66	LEU	CD1	C	25.522	0.400	2
679	1	66	LEU	CD2	C	24.412	0.400	2
680	1	66	LEU	N	N	117.844	0.400	1
681	1	67	ALA	H	H	8.927	0.020	1
682	1	67	ALA	HA	H	3.916	0.020	1
683	1	67	ALA	HB1	H	1.679	0.020	1
684	1	67	ALA	HB2	H	1.679	0.020	1
685	1	67	ALA	HB3	H	1.679	0.020	1
686	1	67	ALA	CA	C	55.855	0.400	1
687	1	67	ALA	CB	C	19.090	0.400	1
688	1	67	ALA	N	N	121.590	0.400	1
689	1	68	ALA	H	H	8.652	0.020	1
690	1	68	ALA	HA	H	4.108	0.020	1
691	1	68	ALA	HB1	H	1.512	0.020	1
692	1	68	ALA	HB2	H	1.512	0.020	1
693	1	68	ALA	HB3	H	1.512	0.020	1
694	1	68	ALA	CA	C	55.499	0.400	1
695	1	68	ALA	CB	C	18.113	0.400	1
696	1	68	ALA	N	N	119.817	0.400	1
697	1	69	TYR	H	H	7.693	0.020	1
698	1	69	TYR	HD1	H	7.109	0.020	1
699	1	69	TYR	HD2	H	7.109	0.020	1
700	1	69	TYR	HE1	H	6.813	0.020	1
701	1	69	TYR	HE2	H	6.813	0.020	1
702	1	69	TYR	CA	C	61.436	0.400	1
703	1	69	TYR	CB	C	38.477	0.400	1
704	1	69	TYR	CD1	C	133.223	0.400	3
705	1	69	TYR	CD2	C	133.187	0.400	3
706	1	69	TYR	CE1	C	118.209	0.400	3
707	1	69	TYR	CE2	C	118.236	0.400	3
708	1	69	TYR	N	N	118.611	0.400	1
709	1	70	HIS	HA	H	4.379	0.020	1
710	1	70	HIS	HB2	H	3.558	0.020	2
711	1	70	HIS	HB3	H	3.204	0.020	2
712	1	70	HIS	HD2	H	7.285	0.020	1
713	1	70	HIS	HE1	H	8.050	0.020	1
714	1	70	HIS	CA	C	58.837	0.400	1
715	1	70	HIS	CB	C	27.799	0.400	1
716	1	70	HIS	CD2	C	129.304	0.400	1
717	1	70	HIS	CE1	C	140.238	0.400	1
718	1	70	HIS	ND1	N	172.548	0.400	1
719	1	70	HIS	NE2	N	221.200	0.400	1
720	1	71	ALA	H	H	9.236	0.020	1
721	1	71	ALA	HA	H	3.924	0.020	1
722	1	71	ALA	HB1	H	1.590	0.020	1
723	1	71	ALA	HB2	H	1.590	0.020	1
724	1	71	ALA	HB3	H	1.590	0.020	1
725	1	71	ALA	CA	C	54.779	0.400	1
726	1	71	ALA	CB	C	19.803	0.400	1
727	1	71	ALA	N	N	122.206	0.400	1
728	1	72	LYS	H	H	6.938	0.020	1
729	1	72	LYS	HA	H	3.831	0.020	1
730	1	72	LYS	HB2	H	1.573	0.020	2
731	1	72	LYS	HB3	H	1.416	0.020	2
732	1	72	LYS	HG2	H	1.274	0.020	2
733	1	72	LYS	HG3	H	1.165	0.020	2
734	1	72	LYS	HD2	H	1.548	0.020	2
735	1	72	LYS	HD3	H	1.548	0.020	2
736	1	72	LYS	HE2	H	2.863	0.020	2
737	1	72	LYS	HE3	H	2.863	0.020	2
738	1	72	LYS	CA	C	58.208	0.400	1
739	1	72	LYS	CB	C	32.520	0.400	1
740	1	72	LYS	CG	C	24.478	0.400	1
741	1	72	LYS	CD	C	29.001	0.400	1
742	1	72	LYS	CE	C	42.119	0.400	1
743	1	72	LYS	N	N	114.437	0.400	1
744	1	73	HIS	H	H	7.080	0.020	1
745	1	73	HIS	HA	H	4.811	0.020	1
746	1	73	HIS	HB2	H	3.413	0.020	2
747	1	73	HIS	HB3	H	2.892	0.020	2
748	1	73	HIS	HD2	H	7.083	0.020	1
749	1	73	HIS	HE1	H	8.019	0.020	1
750	1	73	HIS	CA	C	54.325	0.400	1
751	1	73	HIS	CB	C	30.317	0.400	1
752	1	73	HIS	CD2	C	121.169	0.400	1
753	1	73	HIS	CE1	C	137.490	0.400	1
754	1	73	HIS	N	N	112.718	0.400	1
755	1	73	HIS	ND1	N	184.086	0.400	1
756	1	73	HIS	NE2	N	196.528	0.400	1
757	1	74	CYS	H	H	6.990	0.020	1
758	1	74	CYS	HA	H	4.112	0.020	1
759	1	74	CYS	HB2	H	2.452	0.020	2
760	1	74	CYS	HB3	H	1.761	0.020	2
761	1	74	CYS	CA	C	60.103	0.400	1
762	1	74	CYS	CB	C	30.127	0.400	1
763	1	74	CYS	N	N	123.370	0.400	1
764	1	75	GLN	H	H	9.125	0.020	1
765	1	75	GLN	HA	H	4.662	0.020	1
766	1	75	GLN	HB2	H	1.835	0.020	2
767	1	75	GLN	HB3	H	1.835	0.020	2
768	1	75	GLN	HG2	H	2.326	0.020	2
769	1	75	GLN	HG3	H	2.326	0.020	2
770	1	75	GLN	CA	C	54.626	0.400	1
771	1	75	GLN	CB	C	29.358	0.400	1
772	1	75	GLN	CG	C	33.758	0.400	1
773	1	75	GLN	N	N	128.641	0.400	1
774	1	76	GLU	H	H	8.234	0.020	1
775	1	76	GLU	HA	H	4.384	0.020	1
776	1	76	GLU	HB2	H	1.996	0.020	2
777	1	76	GLU	HB3	H	1.947	0.020	2
778	1	76	GLU	HG2	H	2.359	0.020	2
779	1	76	GLU	HG3	H	2.359	0.020	2
780	1	76	GLU	CA	C	55.860	0.400	1
781	1	76	GLU	CB	C	30.404	0.400	1
782	1	76	GLU	CG	C	35.797	0.400	1
783	1	76	GLU	N	N	122.786	0.400	1
784	1	77	ASN	H	H	8.907	0.020	1
785	1	77	ASN	HA	H	4.498	0.020	1
786	1	77	ASN	HB2	H	2.825	0.020	2
787	1	77	ASN	HB3	H	2.825	0.020	2
788	1	77	ASN	CA	C	55.191	0.400	1
789	1	77	ASN	CB	C	38.486	0.400	1
790	1	77	ASN	N	N	125.654	0.400	1
791	1	78	LYS	H	H	8.748	0.020	1
792	1	78	LYS	HA	H	4.424	0.020	1
793	1	78	LYS	HB2	H	1.917	0.020	2
794	1	78	LYS	HB3	H	1.917	0.020	2
795	1	78	LYS	HG2	H	1.333	0.020	2
796	1	78	LYS	HG3	H	1.333	0.020	2
797	1	78	LYS	HD2	H	1.655	0.020	2
798	1	78	LYS	HD3	H	1.655	0.020	2
799	1	78	LYS	HE2	H	2.979	0.020	2
800	1	78	LYS	HE3	H	2.979	0.020	2
801	1	78	LYS	CA	C	54.570	0.400	1
802	1	78	LYS	CB	C	30.975	0.400	1
803	1	78	LYS	CG	C	24.712	0.400	1
804	1	78	LYS	CD	C	29.146	0.400	1
805	1	78	LYS	CE	C	42.217	0.400	1
806	1	78	LYS	N	N	120.741	0.400	1
807	1	79	CYS	H	H	6.933	0.020	1
808	1	79	CYS	CA	C	57.842	0.400	1
809	1	79	CYS	CB	C	30.709	0.400	1
810	1	79	CYS	N	N	123.810	0.400	1
811	1	80	PRO	HA	H	4.676	0.020	1
812	1	80	PRO	HG2	H	2.094	0.020	2
813	1	80	PRO	HG3	H	2.044	0.020	2
814	1	80	PRO	HD2	H	4.146	0.020	2
815	1	80	PRO	HD3	H	3.849	0.020	2
816	1	80	PRO	CA	C	62.901	0.400	1
817	1	80	PRO	CB	C	32.067	0.400	1
818	1	80	PRO	CG	C	26.480	0.400	1
819	1	80	PRO	CD	C	51.375	0.400	1
820	1	81	VAL	H	H	9.044	0.020	1
821	1	81	VAL	HA	H	3.527	0.020	1
822	1	81	VAL	HB	H	2.211	0.020	1
823	1	81	VAL	HG11	H	0.408	0.020	2
824	1	81	VAL	HG12	H	0.408	0.020	2
825	1	81	VAL	HG13	H	0.408	0.020	2
826	1	81	VAL	HG21	H	0.690	0.020	2
827	1	81	VAL	HG22	H	0.690	0.020	2
828	1	81	VAL	HG23	H	0.690	0.020	2
829	1	81	VAL	CA	C	62.499	0.400	1
830	1	81	VAL	CB	C	31.578	0.400	1
831	1	81	VAL	CG1	C	24.089	0.400	2
832	1	81	VAL	CG2	C	19.705	0.400	2
833	1	81	VAL	N	N	127.833	0.400	1
834	1	82	PRO	HA	H	3.982	0.020	1
835	1	82	PRO	HB2	H	1.673	0.020	2
836	1	82	PRO	HB3	H	1.673	0.020	2
837	1	82	PRO	HG2	H	1.953	0.020	2
838	1	82	PRO	HG3	H	1.897	0.020	2
839	1	82	PRO	HD2	H	4.000	0.020	2
840	1	82	PRO	HD3	H	3.400	0.020	2
841	1	82	PRO	CA	C	64.188	0.400	1
842	1	82	PRO	CB	C	31.550	0.400	1
843	1	82	PRO	CG	C	28.453	0.400	1
844	1	82	PRO	CD	C	50.473	0.400	1
845	1	83	PHE	H	H	7.966	0.020	1
846	1	83	PHE	HA	H	4.199	0.020	1
847	1	83	PHE	HB2	H	3.545	0.020	2
848	1	83	PHE	HB3	H	3.213	0.020	2
849	1	83	PHE	HD1	H	7.096	0.020	1
850	1	83	PHE	HD2	H	7.096	0.020	1
851	1	83	PHE	HE1	H	7.353	0.020	1
852	1	83	PHE	HE2	H	7.353	0.020	1
853	1	83	PHE	HZ	H	7.388	0.020	1
854	1	83	PHE	CA	C	60.914	0.400	1
855	1	83	PHE	CB	C	37.271	0.400	1
856	1	83	PHE	CD1	C	131.854	0.400	3
857	1	83	PHE	CD2	C	131.948	0.400	3
858	1	83	PHE	CE1	C	131.107	0.400	3
859	1	83	PHE	CE2	C	131.107	0.400	3
860	1	83	PHE	CZ	C	129.194	0.400	1
861	1	83	PHE	N	N	111.249	0.400	1
862	1	84	CYS	H	H	7.775	0.020	1
863	1	84	CYS	HA	H	3.979	0.020	1
864	1	84	CYS	HB2	H	3.240	0.020	2
865	1	84	CYS	HB3	H	2.766	0.020	2
866	1	84	CYS	CA	C	64.947	0.400	1
867	1	84	CYS	CB	C	29.852	0.400	1
868	1	84	CYS	N	N	124.158	0.400	1
869	1	85	LEU	H	H	8.221	0.020	1
870	1	85	LEU	HA	H	4.020	0.020	1
871	1	85	LEU	HB2	H	1.759	0.020	2
872	1	85	LEU	HB3	H	1.759	0.020	2
873	1	85	LEU	HG	H	1.540	0.020	1
874	1	85	LEU	HD11	H	0.943	0.020	2
875	1	85	LEU	HD12	H	0.943	0.020	2
876	1	85	LEU	HD13	H	0.943	0.020	2
877	1	85	LEU	HD21	H	0.943	0.020	2
878	1	85	LEU	HD22	H	0.943	0.020	2
879	1	85	LEU	HD23	H	0.943	0.020	2
880	1	85	LEU	CA	C	58.341	0.400	1
881	1	85	LEU	CB	C	41.075	0.400	1
882	1	85	LEU	CG	C	27.124	0.400	1
883	1	85	LEU	CD1	C	24.920	0.400	2
884	1	85	LEU	CD2	C	24.111	0.400	2
885	1	85	LEU	N	N	114.545	0.400	1
886	1	86	ASN	H	H	7.735	0.020	1
887	1	86	ASN	HA	H	4.385	0.020	1
888	1	86	ASN	HB2	H	2.831	0.020	2
889	1	86	ASN	HB3	H	2.831	0.020	2
890	1	86	ASN	CA	C	56.541	0.400	1
891	1	86	ASN	CB	C	38.812	0.400	1
892	1	86	ASN	N	N	115.544	0.400	1
893	1	87	ILE	H	H	8.409	0.020	1
894	1	87	ILE	HA	H	4.218	0.020	1
895	1	87	ILE	HG21	H	0.835	0.020	1
896	1	87	ILE	HG22	H	0.835	0.020	1
897	1	87	ILE	HG23	H	0.835	0.020	1
898	1	87	ILE	HD11	H	0.766	0.020	1
899	1	87	ILE	HD12	H	0.766	0.020	1
900	1	87	ILE	HD13	H	0.766	0.020	1
901	1	87	ILE	CA	C	64.596	0.400	1
902	1	87	ILE	CB	C	38.006	0.400	1
903	1	87	ILE	CG2	C	17.768	0.400	1
904	1	87	ILE	CD1	C	13.524	0.400	1
905	1	87	ILE	N	N	120.924	0.400	1
906	1	88	LYS	H	H	8.541	0.020	1
907	1	88	LYS	HA	H	4.008	0.020	1
908	1	88	LYS	HG2	H	1.446	0.020	2
909	1	88	LYS	HG3	H	1.446	0.020	2
910	1	88	LYS	HD2	H	1.991	0.020	2
911	1	88	LYS	HD3	H	1.991	0.020	2
912	1	88	LYS	CA	C	60.050	0.400	1
913	1	88	LYS	CB	C	32.637	0.400	1
914	1	88	LYS	CG	C	26.000	0.400	1
915	1	88	LYS	CD	C	30.536	0.400	1
916	1	88	LYS	CE	C	42.343	0.400	1
917	1	88	LYS	N	N	120.144	0.400	1
918	1	89	GLN	H	H	8.033	0.020	1
919	1	89	GLN	HA	H	4.214	0.020	1
920	1	89	GLN	HB2	H	2.178	0.020	2
921	1	89	GLN	HB3	H	2.178	0.020	2
922	1	89	GLN	HG2	H	2.575	0.020	2
923	1	89	GLN	HG3	H	2.436	0.020	2
924	1	89	GLN	CA	C	57.320	0.400	1
925	1	89	GLN	CB	C	28.851	0.400	1
926	1	89	GLN	CG	C	34.196	0.400	1
927	1	89	GLN	N	N	117.129	0.400	1
928	1	90	LYS	H	H	7.853	0.020	1
929	1	90	LYS	HA	H	4.297	0.020	1
930	1	90	LYS	HB2	H	1.928	0.020	2
931	1	90	LYS	HB3	H	1.928	0.020	2
932	1	90	LYS	HG2	H	1.508	0.020	2
933	1	90	LYS	HG3	H	1.508	0.020	2
934	1	90	LYS	HD2	H	1.683	0.020	2
935	1	90	LYS	HD3	H	1.683	0.020	2
936	1	90	LYS	HE2	H	2.988	0.020	2
937	1	90	LYS	HE3	H	2.988	0.020	2
938	1	90	LYS	CA	C	56.944	0.400	1
939	1	90	LYS	CB	C	32.538	0.400	1
940	1	90	LYS	CG	C	24.842	0.400	1
941	1	90	LYS	CD	C	29.061	0.400	1
942	1	90	LYS	CE	C	42.267	0.400	1
943	1	90	LYS	N	N	119.383	0.400	1
944	1	91	GLY	H	H	8.151	0.020	1
945	1	91	GLY	CA	C	45.648	0.400	1
946	1	91	GLY	N	N	108.202	0.400	1
947	1	92	GLY	H	H	8.290	0.020	1
948	1	92	GLY	HA2	H	4.026	0.020	2
949	1	92	GLY	HA3	H	4.026	0.020	2
950	1	92	GLY	CA	C	45.319	0.400	1
951	1	92	GLY	N	N	108.623	0.400	1
952	1	93	SER	H	H	8.337	0.020	1
953	1	93	SER	HA	H	4.486	0.020	1
954	1	93	SER	HB2	H	3.901	0.020	2
955	1	93	SER	HB3	H	3.901	0.020	2
956	1	93	SER	CA	C	58.672	0.400	1
957	1	93	SER	CB	C	63.867	0.400	1
958	1	93	SER	N	N	115.680	0.400	1
959	1	94	GLY	H	H	8.503	0.020	1
960	1	94	GLY	HA2	H	3.998	0.020	2
961	1	94	GLY	HA3	H	3.998	0.020	2
962	1	94	GLY	CA	C	45.448	0.400	1
963	1	94	GLY	N	N	110.823	0.400	1
964	1	95	GLY	H	H	8.317	0.020	1
965	1	95	GLY	CA	C	45.340	0.400	1
966	1	95	GLY	N	N	108.800	0.400	1
967	1	96	GLY	HA2	H	4.049	0.020	2
968	1	96	GLY	HA3	H	4.049	0.020	2
969	1	96	GLY	CA	C	45.341	0.400	1
970	1	97	THR	H	H	8.165	0.020	1
971	1	97	THR	HA	H	4.396	0.020	1
972	1	97	THR	HB	H	4.313	0.020	1
973	1	97	THR	HG21	H	1.201	0.020	1
974	1	97	THR	HG22	H	1.201	0.020	1
975	1	97	THR	HG23	H	1.201	0.020	1
976	1	97	THR	CA	C	61.955	0.400	1
977	1	97	THR	CB	C	69.817	0.400	1
978	1	97	THR	CG2	C	21.584	0.400	1
979	1	97	THR	N	N	112.759	0.400	1
980	1	98	GLY	H	H	8.512	0.020	1
981	1	98	GLY	CA	C	45.528	0.400	1
982	1	98	GLY	N	N	111.233	0.400	1
983	1	99	GLY	HA2	H	4.012	0.020	2
984	1	99	GLY	HA3	H	4.012	0.020	2
985	1	99	GLY	CA	C	45.658	0.400	1
986	1	100	GLY	H	H	8.207	0.020	1
987	1	100	GLY	HA2	H	4.024	0.020	2
988	1	100	GLY	HA3	H	4.024	0.020	2
989	1	100	GLY	CA	C	45.430	0.400	1
990	1	100	GLY	N	N	108.429	0.400	1
991	1	101	SER	H	H	8.301	0.020	1
992	1	101	SER	CA	C	58.551	0.400	1
993	1	101	SER	CB	C	63.944	0.400	1
994	1	101	SER	N	N	115.461	0.400	1
995	1	102	GLY	HA2	H	4.020	0.020	2
996	1	102	GLY	HA3	H	4.020	0.020	2
997	1	102	GLY	CA	C	45.464	0.400	1
998	1	103	THR	H	H	8.018	0.020	1
999	1	103	THR	HA	H	4.398	0.020	1
1000	1	103	THR	HB	H	4.216	0.020	1
1001	1	103	THR	HG21	H	1.176	0.020	1
1002	1	103	THR	HG22	H	1.176	0.020	1
1003	1	103	THR	HG23	H	1.176	0.020	1
1004	1	103	THR	CA	C	61.805	0.400	1
1005	1	103	THR	CB	C	70.095	0.400	1
1006	1	103	THR	CG2	C	21.644	0.400	1
1007	1	103	THR	N	N	113.757	0.400	1
1008	1	104	ILE	H	H	8.226	0.020	1
1009	1	104	ILE	HA	H	4.165	0.020	1
1010	1	104	ILE	HB	H	1.853	0.020	1
1011	1	104	ILE	HG12	H	1.464	0.020	2
1012	1	104	ILE	HG13	H	1.171	0.020	2
1013	1	104	ILE	HG21	H	0.888	0.020	1
1014	1	104	ILE	HG22	H	0.888	0.020	1
1015	1	104	ILE	HG23	H	0.888	0.020	1
1016	1	104	ILE	HD11	H	0.834	0.020	1
1017	1	104	ILE	HD12	H	0.834	0.020	1
1018	1	104	ILE	HD13	H	0.834	0.020	1
1019	1	104	ILE	CA	C	61.441	0.400	1
1020	1	104	ILE	CB	C	38.724	0.400	1
1021	1	104	ILE	CG1	C	27.418	0.400	1
1022	1	104	ILE	CG2	C	17.602	0.400	1
1023	1	104	ILE	CD1	C	13.039	0.400	1
1024	1	104	ILE	N	N	122.790	0.400	1
1025	1	105	GLU	H	H	8.522	0.020	1
1026	1	105	GLU	HA	H	4.266	0.020	1
1027	1	105	GLU	HB2	H	2.039	0.020	2
1028	1	105	GLU	HB3	H	1.966	0.020	2
1029	1	105	GLU	HG2	H	2.271	0.020	2
1030	1	105	GLU	HG3	H	2.271	0.020	2
1031	1	105	GLU	CA	C	56.980	0.400	1
1032	1	105	GLU	CB	C	30.206	0.400	1
1033	1	105	GLU	CG	C	36.315	0.400	1
1034	1	105	GLU	N	N	124.605	0.400	1
1035	1	106	GLY	H	H	8.397	0.020	1
1036	1	106	GLY	HA2	H	3.959	0.020	2
1037	1	106	GLY	HA3	H	3.959	0.020	2
1038	1	106	GLY	CA	C	45.508	0.400	1
1039	1	106	GLY	N	N	110.009	0.400	1
1040	1	107	ARG	H	H	8.170	0.020	1
1041	1	107	ARG	HA	H	4.383	0.020	1
1042	1	107	ARG	HB2	H	1.909	0.020	2
1043	1	107	ARG	HB3	H	1.781	0.020	2
1044	1	107	ARG	HG2	H	1.638	0.020	2
1045	1	107	ARG	HG3	H	1.638	0.020	2
1046	1	107	ARG	HD2	H	3.189	0.020	2
1047	1	107	ARG	HD3	H	3.189	0.020	2
1048	1	107	ARG	CA	C	56.171	0.400	1
1049	1	107	ARG	CB	C	30.981	0.400	1
1050	1	107	ARG	CG	C	27.166	0.400	1
1051	1	107	ARG	CD	C	43.431	0.400	1
1052	1	107	ARG	N	N	120.136	0.400	1
1053	1	108	GLY	H	H	8.463	0.020	1
1054	1	108	GLY	HA2	H	3.980	0.020	2
1055	1	108	GLY	HA3	H	3.980	0.020	2
1056	1	108	GLY	CA	C	45.474	0.400	1
1057	1	108	GLY	N	N	109.759	0.400	1
1058	1	109	ASP	H	H	8.258	0.020	1
1059	1	109	ASP	HA	H	4.637	0.020	1
1060	1	109	ASP	HB2	H	2.732	0.020	2
1061	1	109	ASP	HB3	H	2.703	0.020	2
1062	1	109	ASP	CA	C	54.178	0.400	1
1063	1	109	ASP	CB	C	41.394	0.400	1
1064	1	109	ASP	N	N	120.158	0.400	1
1065	1	110	GLY	H	H	8.485	0.020	1
1066	1	110	GLY	HA2	H	3.971	0.020	2
1067	1	110	GLY	HA3	H	3.971	0.020	2
1068	1	110	GLY	CA	C	45.748	0.400	1
1069	1	110	GLY	N	N	109.348	0.400	1
1070	1	111	GLY	H	H	8.380	0.020	1
1071	1	111	GLY	HA2	H	4.003	0.020	2
1072	1	111	GLY	HA3	H	4.003	0.020	2
1073	1	111	GLY	CA	C	45.553	0.400	1
1074	1	111	GLY	N	N	108.746	0.400	1
1075	1	112	THR	H	H	8.082	0.020	1
1076	1	112	THR	HA	H	4.379	0.020	1
1077	1	112	THR	HB	H	4.210	0.020	1
1078	1	112	THR	HG21	H	1.146	0.020	1
1079	1	112	THR	HG22	H	1.146	0.020	1
1080	1	112	THR	HG23	H	1.146	0.020	1
1081	1	112	THR	CA	C	62.172	0.400	1
1082	1	112	THR	CB	C	69.811	0.400	1
1083	1	112	THR	CG2	C	21.661	0.400	1
1084	1	112	THR	N	N	113.656	0.400	1
1085	1	113	THR	H	H	8.147	0.020	1
1086	1	113	THR	HA	H	4.277	0.020	1
1087	1	113	THR	HG21	H	1.147	0.020	1
1088	1	113	THR	HG22	H	1.147	0.020	1
1089	1	113	THR	HG23	H	1.147	0.020	1
1090	1	113	THR	CA	C	62.412	0.400	1
1091	1	113	THR	CB	C	69.806	0.400	1
1092	1	113	THR	CG2	C	21.761	0.400	1
1093	1	113	THR	N	N	115.936	0.400	1
1094	1	114	PHE	H	H	8.330	0.020	1
1095	1	114	PHE	HA	H	4.389	0.020	1
1096	1	114	PHE	HB2	H	3.003	0.020	2
1097	1	114	PHE	HB3	H	3.003	0.020	2
1098	1	114	PHE	HD1	H	7.133	0.020	1
1099	1	114	PHE	HD2	H	7.133	0.020	1
1100	1	114	PHE	HE1	H	7.192	0.020	1
1101	1	114	PHE	HE2	H	7.192	0.020	1
1102	1	114	PHE	HZ	H	7.079	0.020	1
1103	1	114	PHE	CA	C	59.234	0.400	1
1104	1	114	PHE	CB	C	39.097	0.400	1
1105	1	114	PHE	CD1	C	131.854	0.400	3
1106	1	114	PHE	CD2	C	131.854	0.400	3
1107	1	114	PHE	CE1	C	131.214	0.400	3
1108	1	114	PHE	CE2	C	131.186	0.400	3
1109	1	114	PHE	CZ	C	129.563	0.400	1
1110	1	114	PHE	N	N	120.906	0.400	1
1111	1	115	GLU	H	H	8.313	0.020	1
1112	1	115	GLU	HA	H	3.854	0.020	1
1113	1	115	GLU	HG2	H	2.172	0.020	2
1114	1	115	GLU	HG3	H	2.172	0.020	2
1115	1	115	GLU	CA	C	58.478	0.400	1
1116	1	115	GLU	CB	C	29.637	0.400	1
1117	1	115	GLU	CG	C	36.363	0.400	1
1118	1	115	GLU	N	N	119.813	0.400	1
1119	1	116	HIS	H	H	8.105	0.020	1
1120	1	116	HIS	HA	H	4.455	0.020	1
1121	1	116	HIS	HB2	H	3.067	0.020	2
1122	1	116	HIS	HB3	H	3.067	0.020	2
1123	1	116	HIS	HD2	H	7.027	0.020	1
1124	1	116	HIS	HE1	H	8.050	0.020	1
1125	1	116	HIS	CA	C	57.029	0.400	1
1126	1	116	HIS	CB	C	29.646	0.400	1
1127	1	116	HIS	CD2	C	119.638	0.400	1
1128	1	116	HIS	CE1	C	137.991	0.400	1
1129	1	116	HIS	N	N	117.783	0.400	1
1130	1	116	HIS	ND1	N	176.543	0.400	1
1131	1	116	HIS	NE2	N	209.292	0.400	1
1132	1	117	LEU	H	H	7.850	0.020	1
1133	1	117	LEU	HA	H	4.080	0.020	1
1134	1	117	LEU	HB2	H	1.522	0.020	2
1135	1	117	LEU	HB3	H	1.358	0.020	2
1136	1	117	LEU	HG	H	1.358	0.020	1
1137	1	117	LEU	HD11	H	0.757	0.020	2
1138	1	117	LEU	HD12	H	0.757	0.020	2
1139	1	117	LEU	HD13	H	0.757	0.020	2
1140	1	117	LEU	HD21	H	0.718	0.020	2
1141	1	117	LEU	HD22	H	0.718	0.020	2
1142	1	117	LEU	HD23	H	0.718	0.020	2
1143	1	117	LEU	CA	C	56.686	0.400	1
1144	1	117	LEU	CB	C	42.088	0.400	1
1145	1	117	LEU	CG	C	26.801	0.400	1
1146	1	117	LEU	CD1	C	25.074	0.400	2
1147	1	117	LEU	CD2	C	23.987	0.400	2
1148	1	117	LEU	N	N	121.366	0.400	1
1149	1	118	TRP	H	H	7.944	0.020	1
1150	1	118	TRP	HA	H	4.512	0.020	1
1151	1	118	TRP	HB2	H	3.210	0.020	2
1152	1	118	TRP	HB3	H	3.117	0.020	2
1153	1	118	TRP	HD1	H	7.099	0.020	1
1154	1	118	TRP	HE1	H	10.038	0.020	1
1155	1	118	TRP	HE3	H	7.429	0.020	1
1156	1	118	TRP	HZ2	H	7.330	0.020	1
1157	1	118	TRP	HZ3	H	6.984	0.020	1
1158	1	118	TRP	HH2	H	7.047	0.020	1
1159	1	118	TRP	CA	C	58.094	0.400	1
1160	1	118	TRP	CB	C	29.241	0.400	1
1161	1	118	TRP	CD1	C	127.164	0.400	1
1162	1	118	TRP	CE3	C	120.743	0.400	1
1163	1	118	TRP	CZ2	C	114.446	0.400	1
1164	1	118	TRP	CZ3	C	121.777	0.400	1
1165	1	118	TRP	CH2	C	124.291	0.400	1
1166	1	118	TRP	N	N	118.267	0.400	1
1167	1	118	TRP	NE1	N	129.004	0.400	1
1168	1	119	SER	H	H	7.874	0.020	1
1169	1	119	SER	HA	H	4.300	0.020	1
1170	1	119	SER	HB2	H	3.895	0.020	2
1171	1	119	SER	HB3	H	3.777	0.020	2
1172	1	119	SER	CA	C	59.694	0.400	1
1173	1	119	SER	CB	C	63.539	0.400	1
1174	1	119	SER	N	N	114.542	0.400	1
1175	1	120	SER	H	H	7.909	0.020	1
1176	1	120	SER	HA	H	4.425	0.020	1
1177	1	120	SER	HB2	H	3.886	0.020	2
1178	1	120	SER	HB3	H	3.849	0.020	2
1179	1	120	SER	CA	C	58.959	0.400	1
1180	1	120	SER	CB	C	63.773	0.400	1
1181	1	120	SER	N	N	116.196	0.400	1
1182	1	121	LEU	H	H	7.686	0.020	1
1183	1	121	LEU	HA	H	4.304	0.020	1
1184	1	121	LEU	HB2	H	1.608	0.020	2
1185	1	121	LEU	HB3	H	1.608	0.020	2
1186	1	121	LEU	HG	H	1.521	0.020	1
1187	1	121	LEU	HD11	H	0.775	0.020	2
1188	1	121	LEU	HD12	H	0.775	0.020	2
1189	1	121	LEU	HD13	H	0.775	0.020	2
1190	1	121	LEU	HD21	H	0.775	0.020	2
1191	1	121	LEU	HD22	H	0.775	0.020	2
1192	1	121	LEU	HD23	H	0.775	0.020	2
1193	1	121	LEU	CA	C	55.085	0.400	1
1194	1	121	LEU	CB	C	42.557	0.400	1
1195	1	121	LEU	CG	C	26.724	0.400	1
1196	1	121	LEU	CD1	C	25.325	0.400	2
1197	1	121	LEU	CD2	C	23.782	0.400	2
1198	1	121	LEU	N	N	122.446	0.400	1
1199	1	122	GLU	H	H	8.198	0.020	1
1200	1	122	GLU	CA	C	54.401	0.400	1
1201	1	122	GLU	CB	C	29.764	0.400	1
1202	1	122	GLU	N	N	122.105	0.400	1
1203	1	123	PRO	HA	H	4.285	0.020	1
1204	1	123	PRO	HB2	H	2.128	0.020	2
1205	1	123	PRO	HB3	H	2.128	0.020	2
1206	1	123	PRO	HG2	H	1.944	0.020	2
1207	1	123	PRO	HG3	H	1.874	0.020	2
1208	1	123	PRO	HD2	H	3.694	0.020	2
1209	1	123	PRO	HD3	H	3.694	0.020	2
1210	1	123	PRO	CA	C	63.802	0.400	1
1211	1	123	PRO	CB	C	32.000	0.400	1
1212	1	123	PRO	CG	C	27.451	0.400	1
1213	1	123	PRO	CD	C	50.534	0.400	1
1214	1	124	ASP	H	H	8.342	0.020	1
1215	1	124	ASP	HA	H	4.636	0.020	1
1216	1	124	ASP	HB2	H	2.716	0.020	2
1217	1	124	ASP	HB3	H	2.716	0.020	2
1218	1	124	ASP	CA	C	54.131	0.400	1
1219	1	124	ASP	CB	C	41.096	0.400	1
1220	1	124	ASP	N	N	118.817	0.400	1
1221	1	125	SER	H	H	8.102	0.020	1
1222	1	125	SER	HA	H	4.348	0.020	1
1223	1	125	SER	HB2	H	3.947	0.020	2
1224	1	125	SER	HB3	H	3.780	0.020	2
1225	1	125	SER	CA	C	59.145	0.400	1
1226	1	125	SER	CB	C	63.793	0.400	1
1227	1	125	SER	N	N	115.875	0.400	1
1228	1	126	THR	H	H	8.199	0.020	1
1229	1	126	THR	HA	H	4.202	0.020	1
1230	1	126	THR	HB	H	4.082	0.020	1
1231	1	126	THR	HG21	H	1.044	0.020	1
1232	1	126	THR	HG22	H	1.044	0.020	1
1233	1	126	THR	HG23	H	1.044	0.020	1
1234	1	126	THR	CA	C	62.974	0.400	1
1235	1	126	THR	CB	C	69.380	0.400	1
1236	1	126	THR	CG2	C	21.594	0.400	1
1237	1	126	THR	N	N	115.679	0.400	1
1238	1	127	TYR	H	H	7.891	0.020	1
1239	1	127	TYR	HA	H	4.310	0.020	1
1240	1	127	TYR	HB2	H	2.740	0.020	2
1241	1	127	TYR	HB3	H	2.693	0.020	2
1242	1	127	TYR	HD1	H	6.829	0.020	1
1243	1	127	TYR	HD2	H	6.829	0.020	1
1244	1	127	TYR	HE1	H	6.694	0.020	1
1245	1	127	TYR	HE2	H	6.694	0.020	1
1246	1	127	TYR	CA	C	58.900	0.400	1
1247	1	127	TYR	CB	C	38.821	0.400	1
1248	1	127	TYR	CD1	C	132.975	0.400	3
1249	1	127	TYR	CD2	C	132.895	0.400	3
1250	1	127	TYR	CE1	C	118.218	0.400	3
1251	1	127	TYR	CE2	C	118.256	0.400	3
1252	1	127	TYR	N	N	120.976	0.400	1
1253	1	128	PHE	H	H	7.838	0.020	1
1254	1	128	PHE	HA	H	4.556	0.020	1
1255	1	128	PHE	HB2	H	3.175	0.020	2
1256	1	128	PHE	HB3	H	2.912	0.020	2
1257	1	128	PHE	HD1	H	7.227	0.020	1
1258	1	128	PHE	HD2	H	7.227	0.020	1
1259	1	128	PHE	HE1	H	7.282	0.020	1
1260	1	128	PHE	HE2	H	7.282	0.020	1
1261	1	128	PHE	HZ	H	7.140	0.020	1
1262	1	128	PHE	CA	C	57.242	0.400	1
1263	1	128	PHE	CB	C	39.643	0.400	1
1264	1	128	PHE	CD1	C	131.980	0.400	3
1265	1	128	PHE	CD2	C	131.977	0.400	3
1266	1	128	PHE	CE1	C	131.192	0.400	3
1267	1	128	PHE	CE2	C	131.206	0.400	3
1268	1	128	PHE	CZ	C	129.256	0.400	1
1269	1	128	PHE	N	N	117.628	0.400	1
1270	1	129	ASP	H	H	8.128	0.020	1
1271	1	129	ASP	HA	H	4.656	0.020	1
1272	1	129	ASP	HB2	H	2.744	0.020	2
1273	1	129	ASP	HB3	H	2.561	0.020	2
1274	1	129	ASP	CA	C	54.260	0.400	1
1275	1	129	ASP	CB	C	40.891	0.400	1
1276	1	129	ASP	N	N	121.406	0.400	1
1277	1	130	LEU	H	H	7.575	0.020	1
1278	1	130	LEU	CA	C	56.651	0.400	1
1279	1	130	LEU	CB	C	43.776	0.400	1
1280	1	130	LEU	N	N	127.202	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: -0.1 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: -0.1 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: 0.0 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 p73 (E.C.2.3.1.48,2.3.1.-), entity 1, : 1 : 3 entities Detail

Experiments performed 11 experiments Detail

1 3D 1H-15N NOESY

Instrument

Bruker AVANCE II - 950 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 mbar, Temperature 303 K, pH 6.3, Details 700 uM [U-13C; U-15N] Fusion construct of p300 Taz2 and the transactivation domain 1 of p73, 25 mM MES, 50 mM NaCl, 0.5 mM TCEP, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain 1 of p73	[U-13C; U-15N]	700 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	50 mM
4	TCEP	natural abundance	0.5 mM

2 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE III HD - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain 1 of p73	[U-13C; U-15N]	700 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	50 mM
4	TCEP	natural abundance	0.5 mM

3 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 1 of p73	[U-13C; U-15N]	700 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	50 mM
4	TCEP	natural abundance	0.5 mM

4 3D HNCACB

Instrument

Bruker AVNCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain 1 of p73	[U-13C; U-15N]	700 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	50 mM
4	TCEP	natural abundance	0.5 mM

5 3D HN(COCA)CB

Instrument

Bruker AVANCE III HD - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain 1 of p73	[U-13C; U-15N]	700 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	50 mM
4	TCEP	natural abundance	0.5 mM

6 [13Cmethyl,1H]-SOFAST-HMQC-NOESY-[13Carom,1H]-HMQC

Instrument

Bruker AVANCE III HD - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain 1 of p73	[U-13C; U-15N]	700 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	50 mM
4	TCEP	natural abundance	0.5 mM

7 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 1 of p73	[U-13C; U-15N]	700 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	50 mM
4	TCEP	natural abundance	0.5 mM

8 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III HD - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain 1 of p73	[U-13C; U-15N]	700 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	50 mM
4	TCEP	natural abundance	0.5 mM

9 2D 1H-15N HSQC

Instrument

Bruker AVANCE III HD - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain 1 of p73	[U-13C; U-15N]	700 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	50 mM
4	TCEP	natural abundance	0.5 mM

10 3D C(CO)NH

Instrument

Bruker AVANCE III HD - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain 1 of p73	[U-13C; U-15N]	700 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	50 mM
4	TCEP	natural abundance	0.5 mM

11 3D H(CCO)NH

Instrument

Bruker AVANCE III HD - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Fusion construct of p300 Taz2 and the transactivation domain 1 of p73	[U-13C; U-15N]	700 uM
2	MES	natural abundance	25 mM
3	NaCl	natural abundance	50 mM
4	TCEP	natural abundance	0.5 mM

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_34233_6fgs.nef
Input source #2: Coordindates	6fgs.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
ATQSPGDSRRLSIQRAIQSLVHAAQCRNANCSLPSCQKMKRVVQHTKGCKRKTNGGCPICKQLIALAAYHAKHCQENKCPVPFCLNIKQKGGSGGGTGGG
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ATQSPGDSRRLSIQRAIQSLVHAAQCRNANCSLPSCQKMKRVVQHTKGCKRKTNGGCPICKQLIALAAYHAKHCQENKCPVPFCLNIKQKGGSGGGTGGG

-------110-------120-------130
SGTIEGRGDGGTTFEHLWSSLEPDSTYFDL
||||||||||||||||||||||||||||||
SGTIEGRGDGGTTFEHLWSSLEPDSTYFDL

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	130	0	0	100.0

Content subtype: combined_34233_6fgs.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	1178		100.0 (chain: A, length: 130)
1	Distance restraints	DYANA/DIANA_distance_constraints_3	OK	2269 (1)	noe	93.1 (chain: A, length: 130)
2	Distance restraints	DYANA/DIANA_distance_constraints_5	Warning	52 (1)	hbond	13.1 (chain: A, length: 130)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_2	OK	150 (150)	.	76.9 (chain: A, length: 130)
2	Dihedral angle restraints	DYANA/DIANA_dihedral_4	Warning	26 (26)	.	16.9 (chain: A, length: 130)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 130, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 647
  - ¹³C chemical shifts: 402
  - ¹⁵N chemical shifts: 129
- 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	172.448
22	HIS	NE2	218.406
45	HIS	ND1	173.06
45	HIS	NE2	220.253
70	HIS	ND1	172.548
70	HIS	NE2	221.2
73	HIS	ND1	184.086
73	HIS	NE2	196.528
116	HIS	ND1	176.543
116	HIS	NE2	209.292

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	752	646	85.9
¹³C chemical shifts	543	402	74.0
¹⁵N chemical shifts	146	119	81.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	271	246	90.8
¹³C chemical shifts	260	130	50.0
¹⁵N chemical shifts	124	118	95.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	481	400	83.2
¹³C chemical shifts	283	272	96.1
¹⁵N chemical shifts	22	1	4.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	56	51	91.1
¹³C chemical shifts	56	49	87.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	39	39	100.0
¹³C chemical shifts	38	38	100.0
¹⁵N chemical shifts	1	1	100.0

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_3
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 130, Sequence coverage: 93.1%
- Total number of restraints: 2269
- Weight of restraints: 1.0 (2269)
- Potential type of restraints: upper-bound-parabolic (2269)
- Range of distance target values: 2.3, 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
- Saveframe: DYANA/DIANA_distance_constraints_5
  - Status: Warning
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 130, Sequence coverage: 13.1%
  - Total number of restraints: 52
  - Weight of restraints: 1.0 (52)
  - Potential type of restraints: upper-bound-parabolic (52)
  - Range of distance target values: 1.8, 3.0 (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_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 130, Sequence coverage: 76.9%
- Total number of restraints: 150
- Total number of restraints per polymer type: 150
- Weight of restraints: 1.0 (150)
- Potential type of restraints: square-well-parabolic (150)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A
- Saveframe: DYANA/DIANA_dihedral_4
  - Status: Warning
  - Experiment type: .
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 130, Sequence coverage: 16.9%
  - Total number of restraints: 26
  - Total number of restraints per polymer type: 26
  - Weight of restraints: 1.0 (26)
  - Potential type of restraints: square-well-parabolic (26)
  - Plot of Phi-Psi angle restraints
  - Dihedral angle restraints per residue

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

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Found 1 Document (0.436 seconds)

BMRB: 34233

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Histone acetyltransferase p300,Tumor protein p73 (E.C.2.3.1.48,2.3.1.-), entity 1, : 1 : 3 entities Detail

Experiments performed 11 experiments Detail

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NMR combined restraints 6 contents Detail