BMRBj - BMREntryMaster

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	2	SER	HA	H	4.507	0.001	1
2	1	2	SER	HB2	H	3.832	0.001	1
3	1	2	SER	CA	C	58.060	0.111	1
4	1	2	SER	CB	C	63.894	0.096	1
5	1	3	LYS	H	H	8.340	0.010	1
6	1	3	LYS	HA	H	4.588	0.001	1
7	1	3	LYS	HB2	H	1.803	0.001	2
8	1	3	LYS	HB3	H	1.688	0.002	2
9	1	3	LYS	HG2	H	1.469	0.004	2
10	1	3	LYS	HG3	H	1.441	0.002	2
11	1	3	LYS	HD2	H	1.687	0.001	1
12	1	3	LYS	HE2	H	2.981	0.004	1
13	1	3	LYS	CA	C	54.137	0.028	1
14	1	3	LYS	CB	C	32.445	0.047	1
15	1	3	LYS	CG	C	24.500	0.007	1
16	1	3	LYS	CD	C	29.100	0.055	1
17	1	3	LYS	CE	C	41.844	0.044	1
18	1	3	LYS	N	N	124.504	0.048	1
19	1	4	PRO	HA	H	4.285	0.001	1
20	1	4	PRO	HB2	H	2.073	0.003	2
21	1	4	PRO	HB3	H	1.641	0.001	2
22	1	4	PRO	HG2	H	1.948	0.001	1
23	1	4	PRO	HD2	H	3.788	0.004	2
24	1	4	PRO	HD3	H	3.618	0.002	2
25	1	4	PRO	C	C	175.629	0.000	1
26	1	4	PRO	CA	C	63.021	0.052	1
27	1	4	PRO	CB	C	32.292	0.041	1
28	1	4	PRO	CG	C	27.298	0.052	1
29	1	4	PRO	CD	C	50.652	0.043	1
30	1	5	LYS	H	H	8.171	0.012	1
31	1	5	LYS	HA	H	4.233	0.002	1
32	1	5	LYS	HB2	H	1.572	0.001	2
33	1	5	LYS	HB3	H	1.501	0.001	2
34	1	5	LYS	HG2	H	1.380	0.003	2
35	1	5	LYS	HG3	H	1.270	0.002	2
36	1	5	LYS	HD2	H	1.601	0.005	1
37	1	5	LYS	HE2	H	2.933	0.004	1
38	1	5	LYS	C	C	175.994	0.000	1
39	1	5	LYS	CA	C	55.584	0.081	1
40	1	5	LYS	CB	C	34.496	0.018	1
41	1	5	LYS	CG	C	24.885	0.067	1
42	1	5	LYS	CD	C	29.001	0.078	1
43	1	5	LYS	CE	C	41.863	0.091	1
44	1	5	LYS	N	N	121.193	0.033	1
45	1	6	TYR	H	H	9.116	0.011	1
46	1	6	TYR	HA	H	5.124	0.004	1
47	1	6	TYR	HB2	H	2.667	0.006	2
48	1	6	TYR	HB3	H	3.205	0.001	2
49	1	6	TYR	HD1	H	6.977	0.002	1
50	1	6	TYR	HD2	H	6.977	0.002	1
51	1	6	TYR	HE1	H	6.565	0.002	1
52	1	6	TYR	HE2	H	6.565	0.002	1
53	1	6	TYR	C	C	174.248	0.000	1
54	1	6	TYR	CA	C	57.103	0.016	1
55	1	6	TYR	CB	C	41.142	0.022	1
56	1	6	TYR	CD1	C	133.395	0.020	1
57	1	6	TYR	CD2	C	133.395	0.020	1
58	1	6	TYR	CE1	C	117.510	0.014	1
59	1	6	TYR	CE2	C	117.510	0.014	1
60	1	6	TYR	N	N	120.726	0.071	1
61	1	7	ASN	H	H	9.002	0.009	1
62	1	7	ASN	HA	H	4.711	0.003	1
63	1	7	ASN	HB2	H	3.125	0.005	2
64	1	7	ASN	HB3	H	2.921	0.008	2
65	1	7	ASN	HD21	H	7.777	0.006	1
66	1	7	ASN	HD22	H	7.076	0.003	1
67	1	7	ASN	CA	C	52.617	0.017	1
68	1	7	ASN	CB	C	35.418	0.011	1
69	1	7	ASN	N	N	115.574	0.014	1
70	1	7	ASN	ND2	N	114.944	0.062	1
71	1	8	PRO	HA	H	4.247	0.004	1
72	1	8	PRO	HB2	H	1.994	0.002	2
73	1	8	PRO	HB3	H	2.433	0.004	2
74	1	8	PRO	HG2	H	2.137	0.002	2
75	1	8	PRO	HG3	H	2.202	0.002	2
76	1	8	PRO	HD2	H	3.891	0.003	1
77	1	8	PRO	C	C	178.816	0.000	1
78	1	8	PRO	CA	C	66.493	0.030	1
79	1	8	PRO	CB	C	32.195	0.023	1
80	1	8	PRO	CG	C	27.815	0.036	1
81	1	8	PRO	CD	C	50.781	0.040	1
82	1	9	GLU	H	H	9.369	0.011	1
83	1	9	GLU	HA	H	4.112	0.002	1
84	1	9	GLU	HB2	H	2.035	0.001	1
85	1	9	GLU	HG2	H	2.392	0.002	2
86	1	9	GLU	HG3	H	2.343	0.004	2
87	1	9	GLU	C	C	179.078	0.000	1
88	1	9	GLU	CA	C	59.950	0.066	1
89	1	9	GLU	CB	C	28.542	0.031	1
90	1	9	GLU	CG	C	36.786	0.028	1
91	1	9	GLU	N	N	117.963	0.023	1
92	1	10	VAL	H	H	7.552	0.005	1
93	1	10	VAL	HA	H	3.493	0.001	1
94	1	10	VAL	HB	H	2.132	0.003	1
95	1	10	VAL	HG11	H	1.037	0.003	2
96	1	10	VAL	HG12	H	1.037	0.003	2
97	1	10	VAL	HG13	H	1.037	0.003	2
98	1	10	VAL	HG21	H	0.448	0.002	2
99	1	10	VAL	HG22	H	0.448	0.002	2
100	1	10	VAL	HG23	H	0.448	0.002	2
101	1	10	VAL	C	C	178.011	0.000	1
102	1	10	VAL	CA	C	65.621	0.066	1
103	1	10	VAL	CB	C	32.017	0.107	1
104	1	10	VAL	CG1	C	25.121	0.040	2
105	1	10	VAL	CG2	C	21.805	0.027	2
106	1	10	VAL	N	N	120.067	0.037	1
107	1	11	GLU	H	H	8.387	0.007	1
108	1	11	GLU	HA	H	3.957	0.004	1
109	1	11	GLU	HB2	H	1.906	0.001	1
110	1	11	GLU	HG2	H	2.204	0.001	2
111	1	11	GLU	HG3	H	2.315	0.002	2
112	1	11	GLU	C	C	178.171	0.000	1
113	1	11	GLU	CA	C	59.652	0.036	1
114	1	11	GLU	CB	C	29.056	0.006	1
115	1	11	GLU	CG	C	36.418	0.048	1
116	1	11	GLU	N	N	120.849	0.041	1
117	1	12	ALA	H	H	7.932	0.004	1
118	1	12	ALA	HA	H	4.224	0.001	1
119	1	12	ALA	HB1	H	1.481	0.001	1
120	1	12	ALA	HB2	H	1.481	0.001	1
121	1	12	ALA	HB3	H	1.481	0.001	1
122	1	12	ALA	C	C	181.113	0.000	1
123	1	12	ALA	CA	C	54.912	0.012	1
124	1	12	ALA	CB	C	17.975	0.048	1
125	1	12	ALA	N	N	118.259	0.039	1
126	1	13	LYS	H	H	7.064	0.008	1
127	1	13	LYS	HA	H	4.031	0.001	1
128	1	13	LYS	HB2	H	1.943	0.002	1
129	1	13	LYS	HG2	H	1.533	0.005	2
130	1	13	LYS	HG3	H	1.655	0.005	2
131	1	13	LYS	HD2	H	1.513	0.004	1
132	1	13	LYS	HE2	H	3.044	0.002	2
133	1	13	LYS	HE3	H	2.928	0.001	2
134	1	13	LYS	C	C	178.512	0.000	1
135	1	13	LYS	CA	C	58.946	0.064	1
136	1	13	LYS	CB	C	32.139	0.033	1
137	1	13	LYS	CG	C	25.942	0.078	1
138	1	13	LYS	CD	C	28.873	0.055	1
139	1	13	LYS	CE	C	42.596	0.066	1
140	1	13	LYS	N	N	118.057	0.016	1
141	1	14	LEU	H	H	8.506	0.007	1
142	1	14	LEU	HA	H	3.855	0.004	1
143	1	14	LEU	HB2	H	1.110	0.003	2
144	1	14	LEU	HB3	H	1.961	0.004	2
145	1	14	LEU	HG	H	1.436	0.002	1
146	1	14	LEU	HD11	H	0.708	0.002	2
147	1	14	LEU	HD12	H	0.708	0.002	2
148	1	14	LEU	HD13	H	0.708	0.002	2
149	1	14	LEU	HD21	H	0.588	0.003	2
150	1	14	LEU	HD22	H	0.588	0.003	2
151	1	14	LEU	HD23	H	0.588	0.003	2
152	1	14	LEU	C	C	179.202	0.000	1
153	1	14	LEU	CA	C	57.430	0.053	1
154	1	14	LEU	CB	C	41.008	0.030	1
155	1	14	LEU	CG	C	26.601	0.033	1
156	1	14	LEU	CD1	C	26.307	0.030	2
157	1	14	LEU	CD2	C	22.360	0.031	2
158	1	14	LEU	N	N	119.215	0.046	1
159	1	15	ASP	H	H	8.535	0.008	1
160	1	15	ASP	HA	H	4.545	0.002	1
161	1	15	ASP	HB2	H	2.867	0.001	2
162	1	15	ASP	HB3	H	2.644	0.002	2
163	1	15	ASP	C	C	179.310	0.000	1
164	1	15	ASP	CA	C	58.023	0.018	1
165	1	15	ASP	CB	C	40.397	0.046	1
166	1	15	ASP	N	N	118.951	0.033	1
167	1	16	VAL	H	H	7.215	0.006	1
168	1	16	VAL	HA	H	3.647	0.002	1
169	1	16	VAL	HB	H	2.436	0.002	1
170	1	16	VAL	HG11	H	1.122	0.001	2
171	1	16	VAL	HG12	H	1.122	0.001	2
172	1	16	VAL	HG13	H	1.122	0.001	2
173	1	16	VAL	HG21	H	0.985	0.002	2
174	1	16	VAL	HG22	H	0.985	0.002	2
175	1	16	VAL	HG23	H	0.985	0.002	2
176	1	16	VAL	C	C	177.319	0.000	1
177	1	16	VAL	CA	C	66.407	0.056	1
178	1	16	VAL	CB	C	31.463	0.083	1
179	1	16	VAL	CG1	C	22.042	0.021	2
180	1	16	VAL	CG2	C	22.667	0.025	2
181	1	16	VAL	N	N	120.856	0.061	1
182	1	17	ALA	H	H	7.529	0.010	1
183	1	17	ALA	HA	H	4.198	0.002	1
184	1	17	ALA	HB1	H	1.509	0.001	1
185	1	17	ALA	HB2	H	1.509	0.001	1
186	1	17	ALA	HB3	H	1.509	0.001	1
187	1	17	ALA	C	C	179.467	0.000	1
188	1	17	ALA	CA	C	55.412	0.000	1
189	1	17	ALA	CB	C	18.447	0.055	1
190	1	17	ALA	N	N	120.900	0.059	1
191	1	18	ARG	H	H	9.180	0.007	1
192	1	18	ARG	HA	H	4.038	0.002	1
193	1	18	ARG	HB2	H	2.031	0.012	2
194	1	18	ARG	HB3	H	1.871	0.002	2
195	1	18	ARG	HG2	H	1.821	0.003	1
196	1	18	ARG	HD2	H	3.155	0.008	2
197	1	18	ARG	HD3	H	3.109	0.002	2
198	1	18	ARG	C	C	178.435	0.000	1
199	1	18	ARG	CA	C	59.754	0.055	1
200	1	18	ARG	CB	C	30.780	0.060	1
201	1	18	ARG	CG	C	28.346	0.047	1
202	1	18	ARG	CD	C	43.534	0.028	1
203	1	18	ARG	N	N	117.219	0.024	1
204	1	19	ARG	H	H	7.810	0.010	1
205	1	19	ARG	HA	H	4.116	0.004	1
206	1	19	ARG	HB2	H	2.040	0.003	1
207	1	19	ARG	HG2	H	1.802	0.005	2
208	1	19	ARG	HG3	H	1.651	0.004	2
209	1	19	ARG	HD2	H	3.293	0.002	1
210	1	19	ARG	C	C	179.715	0.000	1
211	1	19	ARG	CA	C	59.494	0.074	1
212	1	19	ARG	CB	C	29.998	0.091	1
213	1	19	ARG	CG	C	27.591	0.063	1
214	1	19	ARG	CD	C	43.522	0.040	1
215	1	19	ARG	N	N	119.427	0.046	1
216	1	20	LEU	H	H	8.263	0.004	1
217	1	20	LEU	HA	H	4.159	0.001	1
218	1	20	LEU	HB2	H	1.483	0.002	2
219	1	20	LEU	HB3	H	2.000	0.003	2
220	1	20	LEU	HG	H	1.850	0.002	1
221	1	20	LEU	HD11	H	0.954	0.001	2
222	1	20	LEU	HD12	H	0.954	0.001	2
223	1	20	LEU	HD13	H	0.954	0.001	2
224	1	20	LEU	HD21	H	0.956	0.001	2
225	1	20	LEU	HD22	H	0.956	0.001	2
226	1	20	LEU	HD23	H	0.956	0.001	2
227	1	20	LEU	C	C	178.678	0.000	1
228	1	20	LEU	CA	C	57.473	0.064	1
229	1	20	LEU	CB	C	41.018	0.018	1
230	1	20	LEU	CG	C	28.672	0.043	1
231	1	20	LEU	CD1	C	23.241	0.018	2
232	1	20	LEU	CD2	C	26.038	0.029	2
233	1	20	LEU	N	N	121.750	0.033	1
234	1	21	PHE	H	H	8.692	0.006	1
235	1	21	PHE	HA	H	3.688	0.002	1
236	1	21	PHE	HB2	H	3.340	0.004	2
237	1	21	PHE	HB3	H	2.992	0.004	2
238	1	21	PHE	HD1	H	6.724	0.002	1
239	1	21	PHE	HD2	H	6.724	0.002	1
240	1	21	PHE	HE1	H	6.903	0.006	1
241	1	21	PHE	HE2	H	6.903	0.006	1
242	1	21	PHE	HZ	H	7.184	0.002	1
243	1	21	PHE	C	C	177.371	0.000	1
244	1	21	PHE	CA	C	62.250	0.030	1
245	1	21	PHE	CB	C	39.584	0.033	1
246	1	21	PHE	CD1	C	132.402	0.016	1
247	1	21	PHE	CD2	C	132.402	0.016	1
248	1	21	PHE	CE1	C	130.675	0.053	1
249	1	21	PHE	CE2	C	130.675	0.053	1
250	1	21	PHE	CZ	C	130.324	0.009	1
251	1	21	PHE	N	N	121.854	0.024	1
252	1	22	LYS	H	H	7.900	0.008	1
253	1	22	LYS	HA	H	4.219	0.002	1
254	1	22	LYS	HB2	H	2.037	0.004	1
255	1	22	LYS	HG2	H	1.852	0.003	2
256	1	22	LYS	HG3	H	1.710	0.007	2
257	1	22	LYS	HD2	H	1.792	0.001	1
258	1	22	LYS	HE2	H	3.002	0.001	1
259	1	22	LYS	C	C	178.614	0.000	1
260	1	22	LYS	CA	C	59.392	0.026	1
261	1	22	LYS	CB	C	32.369	0.060	1
262	1	22	LYS	CG	C	25.843	0.038	1
263	1	22	LYS	CD	C	29.372	0.062	1
264	1	22	LYS	CE	C	42.230	0.110	1
265	1	22	LYS	N	N	115.644	0.017	1
266	1	23	ARG	H	H	7.684	0.009	1
267	1	23	ARG	HA	H	4.033	0.002	1
268	1	23	ARG	HB2	H	2.090	0.003	1
269	1	23	ARG	HG2	H	1.784	0.002	2
270	1	23	ARG	HG3	H	1.579	0.002	2
271	1	23	ARG	HD2	H	3.154	0.001	1
272	1	23	ARG	C	C	178.030	0.000	1
273	1	23	ARG	CA	C	58.646	0.076	1
274	1	23	ARG	CB	C	30.489	0.041	1
275	1	23	ARG	CG	C	26.794	0.078	1
276	1	23	ARG	CD	C	43.970	0.045	1
277	1	23	ARG	N	N	118.660	0.012	1
278	1	24	TYR	H	H	7.963	0.010	1
279	1	24	TYR	HA	H	4.045	0.001	1
280	1	24	TYR	HB2	H	2.729	0.003	2
281	1	24	TYR	HB3	H	2.869	0.002	2
282	1	24	TYR	HD1	H	7.225	0.002	1
283	1	24	TYR	HD2	H	7.225	0.002	1
284	1	24	TYR	HE1	H	6.857	0.001	1
285	1	24	TYR	HE2	H	6.857	0.001	1
286	1	24	TYR	C	C	176.528	0.000	1
287	1	24	TYR	CA	C	60.478	0.027	1
288	1	24	TYR	CB	C	39.303	0.005	1
289	1	24	TYR	CD1	C	133.080	0.030	1
290	1	24	TYR	CD2	C	133.080	0.030	1
291	1	24	TYR	CE1	C	117.607	0.029	1
292	1	24	TYR	CE2	C	117.607	0.029	1
293	1	24	TYR	N	N	118.640	0.011	1
294	1	25	ASP	H	H	7.871	0.007	1
295	1	25	ASP	HA	H	4.669	0.002	1
296	1	25	ASP	HB2	H	2.902	0.003	2
297	1	25	ASP	HB3	H	2.135	0.003	2
298	1	25	ASP	C	C	177.051	0.000	1
299	1	25	ASP	CA	C	52.626	0.035	1
300	1	25	ASP	CB	C	39.114	0.026	1
301	1	25	ASP	N	N	120.978	0.013	1
302	1	26	LYS	H	H	7.953	0.007	1
303	1	26	LYS	HA	H	4.038	0.002	1
304	1	26	LYS	HB2	H	1.856	0.004	1
305	1	26	LYS	HG2	H	1.485	0.004	1
306	1	26	LYS	HD2	H	1.695	0.002	1
307	1	26	LYS	HE2	H	3.016	0.003	1
308	1	26	LYS	C	C	177.885	0.000	1
309	1	26	LYS	CA	C	58.838	0.063	1
310	1	26	LYS	CB	C	32.363	0.063	1
311	1	26	LYS	CG	C	24.490	0.035	1
312	1	26	LYS	CD	C	28.919	0.061	1
313	1	26	LYS	CE	C	41.889	0.098	1
314	1	26	LYS	N	N	123.894	0.068	1
315	1	27	ASP	H	H	8.441	0.010	1
316	1	27	ASP	HA	H	4.754	0.001	1
317	1	27	ASP	HB2	H	2.858	0.003	2
318	1	27	ASP	HB3	H	2.730	0.003	2
319	1	27	ASP	C	C	177.324	0.000	1
320	1	27	ASP	CA	C	53.727	0.042	1
321	1	27	ASP	CB	C	40.853	0.021	1
322	1	27	ASP	N	N	116.309	0.082	1
323	1	28	GLY	H	H	7.971	0.008	1
324	1	28	GLY	HA2	H	3.956	0.003	2
325	1	28	GLY	HA3	H	3.881	0.001	2
326	1	28	GLY	C	C	175.477	0.000	1
327	1	28	GLY	CA	C	46.943	0.044	1
328	1	28	GLY	N	N	110.403	0.021	1
329	1	29	SER	H	H	8.957	0.015	1
330	1	29	SER	HA	H	4.324	0.001	1
331	1	29	SER	HB2	H	4.011	0.002	2
332	1	29	SER	HB3	H	3.916	0.003	2
333	1	29	SER	C	C	176.547	0.000	1
334	1	29	SER	CA	C	59.711	0.040	1
335	1	29	SER	CB	C	64.447	0.078	1
336	1	29	SER	N	N	117.910	0.014	1
337	1	30	GLY	H	H	10.759	0.019	1
338	1	30	GLY	HA2	H	4.305	0.009	2
339	1	30	GLY	HA3	H	3.750	0.016	2
340	1	30	GLY	C	C	173.602	0.000	1
341	1	30	GLY	CA	C	45.768	0.055	1
342	1	30	GLY	N	N	115.488	0.015	1
343	1	31	GLN	H	H	7.848	0.004	1
344	1	31	GLN	HA	H	5.104	0.003	1
345	1	31	GLN	HB2	H	1.934	0.005	2
346	1	31	GLN	HB3	H	1.791	0.004	2
347	1	31	GLN	HG2	H	2.125	0.007	2
348	1	31	GLN	HG3	H	2.265	0.002	2
349	1	31	GLN	HE21	H	7.456	0.006	1
350	1	31	GLN	HE22	H	6.818	0.004	1
351	1	31	GLN	C	C	173.845	0.000	1
352	1	31	GLN	CA	C	54.001	0.047	1
353	1	31	GLN	CB	C	31.514	0.054	1
354	1	31	GLN	CG	C	33.062	0.050	1
355	1	31	GLN	N	N	117.718	0.122	1
356	1	31	GLN	NE2	N	110.804	0.052	1
357	1	32	LEU	H	H	8.804	0.004	1
358	1	32	LEU	HA	H	4.623	0.002	1
359	1	32	LEU	HB2	H	1.186	0.003	2
360	1	32	LEU	HB3	H	1.354	0.002	2
361	1	32	LEU	HG	H	1.084	0.003	1
362	1	32	LEU	HD11	H	0.493	0.002	2
363	1	32	LEU	HD12	H	0.493	0.002	2
364	1	32	LEU	HD13	H	0.493	0.002	2
365	1	32	LEU	HD21	H	0.172	0.002	2
366	1	32	LEU	HD22	H	0.172	0.002	2
367	1	32	LEU	HD23	H	0.172	0.002	2
368	1	32	LEU	C	C	176.363	0.000	1
369	1	32	LEU	CA	C	52.906	0.051	1
370	1	32	LEU	CB	C	45.139	0.029	1
371	1	32	LEU	CG	C	26.823	0.034	1
372	1	32	LEU	CD1	C	23.948	0.026	2
373	1	32	LEU	CD2	C	26.463	0.063	2
374	1	32	LEU	N	N	123.029	0.112	1
375	1	33	GLN	H	H	8.897	0.005	1
376	1	33	GLN	HA	H	4.542	0.003	1
377	1	33	GLN	HB2	H	2.362	0.005	2
378	1	33	GLN	HB3	H	2.077	0.004	2
379	1	33	GLN	HG2	H	2.540	0.022	2
380	1	33	GLN	HG3	H	2.508	0.000	2
381	1	33	GLN	HE21	H	6.917	0.005	1
382	1	33	GLN	HE22	H	7.800	0.009	1
383	1	33	GLN	C	C	177.488	0.000	1
384	1	33	GLN	CA	C	55.408	0.066	1
385	1	33	GLN	CB	C	29.994	0.034	1
386	1	33	GLN	CG	C	34.504	0.012	1
387	1	33	GLN	N	N	121.068	0.059	1
388	1	33	GLN	NE2	N	113.432	0.005	1
389	1	34	ASP	H	H	8.640	0.006	1
390	1	34	ASP	HA	H	4.091	0.002	1
391	1	34	ASP	HB2	H	2.717	0.001	2
392	1	34	ASP	HB3	H	2.634	0.003	2
393	1	34	ASP	C	C	178.405	0.000	1
394	1	34	ASP	CA	C	57.494	0.056	1
395	1	34	ASP	CB	C	40.170	0.006	1
396	1	34	ASP	N	N	121.762	0.013	1
397	1	35	ASP	H	H	8.644	0.007	1
398	1	35	ASP	HA	H	4.445	0.001	1
399	1	35	ASP	HB2	H	2.725	0.000	1
400	1	35	ASP	C	C	177.870	0.000	1
401	1	35	ASP	CA	C	56.177	0.039	1
402	1	35	ASP	CB	C	40.301	0.011	1
403	1	35	ASP	N	N	117.760	0.032	1
404	1	36	GLU	H	H	8.000	0.011	1
405	1	36	GLU	HA	H	4.460	0.002	1
406	1	36	GLU	HB2	H	2.218	0.002	1
407	1	36	GLU	HG2	H	2.320	0.003	2
408	1	36	GLU	HG3	H	2.427	0.004	2
409	1	36	GLU	C	C	177.433	0.000	1
410	1	36	GLU	CA	C	57.210	0.078	1
411	1	36	GLU	CB	C	30.850	0.007	1
412	1	36	GLU	CG	C	36.971	0.028	1
413	1	36	GLU	N	N	118.522	0.007	1
414	1	37	ILE	H	H	7.560	0.004	1
415	1	37	ILE	HA	H	3.573	0.002	1
416	1	37	ILE	HB	H	2.159	0.005	1
417	1	37	ILE	HG12	H	1.520	0.004	1
418	1	37	ILE	HG21	H	0.981	0.003	1
419	1	37	ILE	HG22	H	0.981	0.003	1
420	1	37	ILE	HG23	H	0.981	0.003	1
421	1	37	ILE	HD11	H	0.726	0.002	1
422	1	37	ILE	HD12	H	0.726	0.002	1
423	1	37	ILE	HD13	H	0.726	0.002	1
424	1	37	ILE	C	C	176.881	0.000	1
425	1	37	ILE	CA	C	62.859	0.065	1
426	1	37	ILE	CB	C	36.190	0.055	1
427	1	37	ILE	CG1	C	28.282	0.044	1
428	1	37	ILE	CG2	C	17.756	0.018	1
429	1	37	ILE	CD1	C	11.220	0.061	1
430	1	37	ILE	N	N	117.800	0.041	1
431	1	38	ALA	H	H	8.609	0.005	1
432	1	38	ALA	HA	H	3.996	0.001	1
433	1	38	ALA	HB1	H	1.468	0.001	1
434	1	38	ALA	HB2	H	1.468	0.001	1
435	1	38	ALA	HB3	H	1.468	0.001	1
436	1	38	ALA	C	C	180.678	0.000	1
437	1	38	ALA	CA	C	56.202	0.062	1
438	1	38	ALA	CB	C	17.505	0.072	1
439	1	38	ALA	N	N	122.201	0.016	1
440	1	39	GLY	H	H	8.383	0.005	1
441	1	39	GLY	HA2	H	3.826	0.001	2
442	1	39	GLY	HA3	H	3.915	0.001	2
443	1	39	GLY	C	C	175.145	0.000	1
444	1	39	GLY	CA	C	46.946	0.060	1
445	1	39	GLY	N	N	107.412	0.082	1
446	1	40	LEU	H	H	7.495	0.005	1
447	1	40	LEU	HA	H	3.673	0.003	1
448	1	40	LEU	HB2	H	0.452	0.003	2
449	1	40	LEU	HB3	H	1.591	0.004	2
450	1	40	LEU	HG	H	1.386	0.002	1
451	1	40	LEU	HD11	H	0.383	0.003	2
452	1	40	LEU	HD12	H	0.383	0.003	2
453	1	40	LEU	HD13	H	0.383	0.003	2
454	1	40	LEU	HD21	H	-0.017	0.003	2
455	1	40	LEU	HD22	H	-0.017	0.003	2
456	1	40	LEU	HD23	H	-0.017	0.003	2
457	1	40	LEU	C	C	180.757	0.000	1
458	1	40	LEU	CA	C	57.980	0.047	1
459	1	40	LEU	CB	C	40.902	0.019	1
460	1	40	LEU	CG	C	26.111	0.035	1
461	1	40	LEU	CD1	C	23.122	0.022	2
462	1	40	LEU	CD2	C	27.045	0.033	2
463	1	40	LEU	N	N	124.235	0.053	1
464	1	41	LEU	H	H	9.132	0.007	1
465	1	41	LEU	HA	H	4.308	0.003	1
466	1	41	LEU	HB2	H	1.491	0.003	2
467	1	41	LEU	HB3	H	2.028	0.002	2
468	1	41	LEU	HG	H	1.899	0.004	1
469	1	41	LEU	HD11	H	0.939	0.002	2
470	1	41	LEU	HD12	H	0.939	0.002	2
471	1	41	LEU	HD13	H	0.939	0.002	2
472	1	41	LEU	HD21	H	1.022	0.002	2
473	1	41	LEU	HD22	H	1.022	0.002	2
474	1	41	LEU	HD23	H	1.022	0.002	2
475	1	41	LEU	C	C	178.774	0.000	1
476	1	41	LEU	CA	C	58.185	0.067	1
477	1	41	LEU	CB	C	42.763	0.030	1
478	1	41	LEU	CG	C	27.046	0.020	1
479	1	41	LEU	CD1	C	26.980	0.040	2
480	1	41	LEU	CD2	C	25.181	0.037	2
481	1	41	LEU	N	N	123.506	0.009	1
482	1	42	LYS	H	H	7.917	0.009	1
483	1	42	LYS	HA	H	4.024	0.003	1
484	1	42	LYS	HB2	H	2.140	0.005	2
485	1	42	LYS	HB3	H	2.032	0.006	2
486	1	42	LYS	HG2	H	1.632	0.004	2
487	1	42	LYS	HG3	H	1.497	0.002	2
488	1	42	LYS	HD2	H	1.774	0.002	1
489	1	42	LYS	HE2	H	3.034	0.009	1
490	1	42	LYS	C	C	179.875	0.000	1
491	1	42	LYS	CA	C	60.308	0.074	1
492	1	42	LYS	CB	C	31.994	0.056	1
493	1	42	LYS	CG	C	24.748	0.042	1
494	1	42	LYS	CD	C	29.389	0.074	1
495	1	42	LYS	CE	C	42.016	0.029	1
496	1	42	LYS	N	N	120.582	0.043	1
497	1	43	ASP	H	H	8.374	0.007	1
498	1	43	ASP	HA	H	4.546	0.001	1
499	1	43	ASP	HB2	H	2.863	0.002	1
500	1	43	ASP	C	C	178.675	0.000	1
501	1	43	ASP	CA	C	57.370	0.076	1
502	1	43	ASP	CB	C	40.816	0.057	1
503	1	43	ASP	N	N	120.187	0.034	1
504	1	44	THR	H	H	8.759	0.007	1
505	1	44	THR	HA	H	3.818	0.001	1
506	1	44	THR	HB	H	4.501	0.003	1
507	1	44	THR	HG21	H	1.114	0.001	1
508	1	44	THR	HG22	H	1.114	0.001	1
509	1	44	THR	HG23	H	1.114	0.001	1
510	1	44	THR	C	C	175.486	0.000	1
511	1	44	THR	CA	C	67.072	0.087	1
512	1	44	THR	CB	C	68.606	0.078	1
513	1	44	THR	CG2	C	20.791	0.047	1
514	1	44	THR	N	N	117.591	0.019	1
515	1	45	TYR	H	H	8.933	0.009	1
516	1	45	TYR	HA	H	3.777	0.003	1
517	1	45	TYR	HB2	H	2.720	0.005	2
518	1	45	TYR	HB3	H	3.173	0.003	2
519	1	45	TYR	HD1	H	7.458	0.002	1
520	1	45	TYR	HD2	H	7.458	0.002	1
521	1	45	TYR	HE1	H	6.505	0.003	1
522	1	45	TYR	HE2	H	6.505	0.003	1
523	1	45	TYR	C	C	178.226	0.000	1
524	1	45	TYR	CA	C	63.349	0.008	1
525	1	45	TYR	CB	C	37.753	0.043	1
526	1	45	TYR	CD1	C	132.237	0.010	1
527	1	45	TYR	CD2	C	132.237	0.010	1
528	1	45	TYR	CE1	C	117.574	0.015	1
529	1	45	TYR	CE2	C	117.574	0.015	1
530	1	45	TYR	N	N	121.054	0.053	1
531	1	46	ALA	H	H	7.868	0.005	1
532	1	46	ALA	HA	H	4.306	0.001	1
533	1	46	ALA	HB1	H	1.631	0.001	1
534	1	46	ALA	HB2	H	1.631	0.001	1
535	1	46	ALA	HB3	H	1.631	0.001	1
536	1	46	ALA	C	C	181.816	0.000	1
537	1	46	ALA	CA	C	55.306	0.006	1
538	1	46	ALA	CB	C	17.875	0.045	1
539	1	46	ALA	N	N	121.109	0.017	1
540	1	47	GLU	H	H	8.160	0.007	1
541	1	47	GLU	HA	H	4.163	0.001	1
542	1	47	GLU	HB2	H	2.115	0.001	1
543	1	47	GLU	HG2	H	2.502	0.002	2
544	1	47	GLU	HG3	H	2.305	0.001	2
545	1	47	GLU	C	C	178.524	0.000	1
546	1	47	GLU	CA	C	59.586	0.053	1
547	1	47	GLU	CB	C	29.049	0.012	1
548	1	47	GLU	CG	C	36.842	0.058	1
549	1	47	GLU	N	N	120.845	0.005	1
550	1	48	MET	H	H	7.996	0.008	1
551	1	48	MET	HA	H	4.358	0.002	1
552	1	48	MET	HB2	H	2.007	0.002	2
553	1	48	MET	HB3	H	1.929	0.004	2
554	1	48	MET	HG2	H	2.839	0.004	2
555	1	48	MET	HG3	H	2.234	0.002	2
556	1	48	MET	HE1	H	1.202	0.002	1
557	1	48	MET	HE2	H	1.202	0.002	1
558	1	48	MET	HE3	H	1.202	0.002	1
559	1	48	MET	C	C	175.696	0.000	1
560	1	48	MET	CA	C	56.803	0.057	1
561	1	48	MET	CB	C	34.258	0.043	1
562	1	48	MET	CG	C	30.425	0.063	1
563	1	48	MET	CE	C	15.172	0.018	1
564	1	48	MET	N	N	115.287	0.011	1
565	1	49	GLY	H	H	7.905	0.008	1
566	1	49	GLY	HA2	H	4.075	0.003	2
567	1	49	GLY	HA3	H	4.030	0.004	2
568	1	49	GLY	C	C	175.574	0.000	1
569	1	49	GLY	CA	C	46.509	0.071	1
570	1	49	GLY	N	N	108.404	0.027	1
571	1	50	MET	H	H	8.367	0.006	1
572	1	50	MET	HA	H	5.049	0.003	1
573	1	50	MET	HB2	H	2.822	0.005	2
574	1	50	MET	HB3	H	1.635	0.005	2
575	1	50	MET	HG2	H	2.438	0.003	2
576	1	50	MET	HG3	H	2.360	0.002	2
577	1	50	MET	HE1	H	1.786	0.001	1
578	1	50	MET	HE2	H	1.786	0.001	1
579	1	50	MET	HE3	H	1.786	0.001	1
580	1	50	MET	C	C	177.114	0.000	1
581	1	50	MET	CA	C	54.282	0.085	1
582	1	50	MET	CB	C	35.500	0.061	1
583	1	50	MET	CG	C	31.623	0.034	1
584	1	50	MET	CE	C	16.604	0.013	1
585	1	50	MET	N	N	117.739	0.036	1
586	1	51	SER	H	H	8.724	0.004	1
587	1	51	SER	HB2	H	3.936	0.004	2
588	1	51	SER	HB3	H	4.080	0.003	2
589	1	51	SER	CB	C	62.691	0.022	1
590	1	51	SER	N	N	117.619	0.049	1
591	1	52	ASN	HA	H	4.507	0.002	1
592	1	52	ASN	HB2	H	2.482	0.004	2
593	1	52	ASN	HB3	H	2.515	0.006	2
594	1	52	ASN	HD21	H	7.248	0.009	1
595	1	52	ASN	HD22	H	6.605	0.005	1
596	1	52	ASN	C	C	174.856	0.000	1
597	1	52	ASN	CA	C	54.802	0.057	1
598	1	52	ASN	CB	C	36.631	0.065	1
599	1	52	ASN	ND2	N	112.994	0.033	1
600	1	53	PHE	H	H	8.207	0.007	1
601	1	53	PHE	HA	H	4.758	0.002	1
602	1	53	PHE	HB2	H	2.931	0.005	2
603	1	53	PHE	HB3	H	3.606	0.004	2
604	1	53	PHE	HD1	H	7.204	0.003	1
605	1	53	PHE	HD2	H	7.204	0.003	1
606	1	53	PHE	HE1	H	7.425	0.002	1
607	1	53	PHE	HE2	H	7.425	0.002	1
608	1	53	PHE	HZ	H	7.360	0.001	1
609	1	53	PHE	C	C	173.857	0.000	1
610	1	53	PHE	CA	C	56.958	0.030	1
611	1	53	PHE	CB	C	39.674	0.050	1
612	1	53	PHE	CD1	C	131.631	0.012	1
613	1	53	PHE	CD2	C	131.631	0.012	1
614	1	53	PHE	CE1	C	131.943	0.020	1
615	1	53	PHE	CE2	C	131.943	0.020	1
616	1	53	PHE	CZ	C	129.859	0.004	1
617	1	53	PHE	N	N	118.132	0.004	1
618	1	54	THR	H	H	7.246	0.008	1
619	1	54	THR	HA	H	3.212	0.002	1
620	1	54	THR	HB	H	3.899	0.002	1
621	1	54	THR	HG21	H	1.119	0.002	1
622	1	54	THR	HG22	H	1.119	0.002	1
623	1	54	THR	HG23	H	1.119	0.002	1
624	1	54	THR	CA	C	61.901	0.086	1
625	1	54	THR	CB	C	69.629	0.044	1
626	1	54	THR	CG2	C	21.062	0.042	1
627	1	54	THR	N	N	117.443	0.021	1
628	1	55	PRO	HA	H	4.518	0.004	1
629	1	55	PRO	HB2	H	2.437	0.003	2
630	1	55	PRO	HB3	H	1.796	0.005	2
631	1	55	PRO	HG2	H	1.961	0.002	2
632	1	55	PRO	HG3	H	1.800	0.007	2
633	1	55	PRO	HD2	H	2.978	0.005	2
634	1	55	PRO	HD3	H	2.855	0.002	2
635	1	55	PRO	C	C	176.002	0.000	1
636	1	55	PRO	CA	C	62.507	0.081	1
637	1	55	PRO	CB	C	32.647	0.065	1
638	1	55	PRO	CG	C	27.645	0.016	1
639	1	55	PRO	CD	C	50.808	0.034	1
640	1	56	THR	H	H	8.843	0.005	1
641	1	56	THR	HA	H	4.332	0.003	1
642	1	56	THR	HB	H	4.684	0.001	1
643	1	56	THR	HG21	H	1.324	0.002	1
644	1	56	THR	HG22	H	1.324	0.002	1
645	1	56	THR	HG23	H	1.324	0.002	1
646	1	56	THR	C	C	175.486	0.000	1
647	1	56	THR	CA	C	60.358	0.057	1
648	1	56	THR	CB	C	71.543	0.074	1
649	1	56	THR	CG2	C	21.753	0.028	1
650	1	56	THR	N	N	112.292	0.005	1
651	1	57	LYS	H	H	8.762	0.005	1
652	1	57	LYS	HA	H	3.889	0.002	1
653	1	57	LYS	HB2	H	1.872	0.001	2
654	1	57	LYS	HB3	H	1.777	0.002	2
655	1	57	LYS	HG2	H	1.451	0.003	1
656	1	57	LYS	HD2	H	1.697	0.002	1
657	1	57	LYS	HE2	H	2.996	0.001	1
658	1	57	LYS	C	C	178.902	0.000	1
659	1	57	LYS	CA	C	59.603	0.069	1
660	1	57	LYS	CB	C	31.931	0.032	1
661	1	57	LYS	CG	C	24.966	0.077	1
662	1	57	LYS	CD	C	29.339	0.035	1
663	1	57	LYS	CE	C	41.836	0.083	1
664	1	57	LYS	N	N	119.936	0.021	1
665	1	58	GLU	H	H	8.298	0.008	1
666	1	58	GLU	HA	H	3.914	0.001	1
667	1	58	GLU	HB2	H	1.853	0.004	2
668	1	58	GLU	HB3	H	1.974	0.001	2
669	1	58	GLU	HG2	H	2.376	0.001	2
670	1	58	GLU	HG3	H	2.205	0.004	2
671	1	58	GLU	C	C	178.281	0.000	1
672	1	58	GLU	CA	C	60.051	0.046	1
673	1	58	GLU	CB	C	28.681	0.002	1
674	1	58	GLU	CG	C	36.941	0.075	1
675	1	58	GLU	N	N	119.160	0.024	1
676	1	59	ASP	H	H	7.507	0.008	1
677	1	59	ASP	HA	H	3.949	0.002	1
678	1	59	ASP	HB2	H	2.583	0.005	2
679	1	59	ASP	HB3	H	1.505	0.006	2
680	1	59	ASP	C	C	177.912	0.000	1
681	1	59	ASP	CA	C	57.034	0.039	1
682	1	59	ASP	CB	C	40.068	0.012	1
683	1	59	ASP	N	N	120.308	0.024	1
684	1	60	VAL	H	H	7.734	0.008	1
685	1	60	VAL	HA	H	3.518	0.003	1
686	1	60	VAL	HB	H	2.134	0.003	1
687	1	60	VAL	HG11	H	1.034	0.001	2
688	1	60	VAL	HG12	H	1.034	0.001	2
689	1	60	VAL	HG13	H	1.034	0.001	2
690	1	60	VAL	HG21	H	0.993	0.002	2
691	1	60	VAL	HG22	H	0.993	0.002	2
692	1	60	VAL	HG23	H	0.993	0.002	2
693	1	60	VAL	C	C	176.803	0.000	1
694	1	60	VAL	CA	C	67.101	0.048	1
695	1	60	VAL	CB	C	31.622	0.002	1
696	1	60	VAL	CG1	C	21.660	0.032	2
697	1	60	VAL	CG2	C	24.165	0.039	2
698	1	60	VAL	N	N	118.451	0.040	1
699	1	61	LYS	H	H	7.701	0.006	1
700	1	61	LYS	HA	H	3.958	0.001	1
701	1	61	LYS	HB2	H	1.905	0.002	1
702	1	61	LYS	HG2	H	1.558	0.003	2
703	1	61	LYS	HG3	H	1.385	0.002	2
704	1	61	LYS	HD2	H	1.681	0.001	1
705	1	61	LYS	HE2	H	2.933	0.001	1
706	1	61	LYS	C	C	179.223	0.000	1
707	1	61	LYS	CA	C	59.836	0.023	1
708	1	61	LYS	CB	C	32.170	0.080	1
709	1	61	LYS	CG	C	24.877	0.057	1
710	1	61	LYS	CD	C	29.216	0.045	1
711	1	61	LYS	CE	C	41.808	0.085	1
712	1	61	LYS	N	N	118.334	0.029	1
713	1	62	ILE	H	H	7.574	0.006	1
714	1	62	ILE	HA	H	3.790	0.002	1
715	1	62	ILE	HB	H	1.829	0.004	1
716	1	62	ILE	HG12	H	1.179	0.004	2
717	1	62	ILE	HG13	H	1.628	0.003	2
718	1	62	ILE	HG21	H	0.918	0.001	1
719	1	62	ILE	HG22	H	0.918	0.001	1
720	1	62	ILE	HG23	H	0.918	0.001	1
721	1	62	ILE	HD11	H	0.808	0.002	1
722	1	62	ILE	HD12	H	0.808	0.002	1
723	1	62	ILE	HD13	H	0.808	0.002	1
724	1	62	ILE	C	C	178.937	0.000	1
725	1	62	ILE	CA	C	64.291	0.064	1
726	1	62	ILE	CB	C	37.797	0.075	1
727	1	62	ILE	CG1	C	29.005	0.051	1
728	1	62	ILE	CG2	C	17.294	0.020	1
729	1	62	ILE	CD1	C	12.667	0.025	1
730	1	62	ILE	N	N	119.043	0.031	1
731	1	63	TRP	H	H	8.292	0.013	1
732	1	63	TRP	HA	H	4.600	0.002	1
733	1	63	TRP	HB2	H	3.351	0.002	2
734	1	63	TRP	HB3	H	3.306	0.002	2
735	1	63	TRP	HD1	H	7.225	0.003	1
736	1	63	TRP	HE1	H	10.254	0.008	1
737	1	63	TRP	HE3	H	7.439	0.003	1
738	1	63	TRP	HZ2	H	7.313	0.002	1
739	1	63	TRP	HZ3	H	6.839	0.002	1
740	1	63	TRP	HH2	H	7.031	0.001	1
741	1	63	TRP	C	C	179.429	0.000	1
742	1	63	TRP	CA	C	59.501	0.078	1
743	1	63	TRP	CB	C	28.586	0.053	1
744	1	63	TRP	CD1	C	125.062	0.008	1
745	1	63	TRP	CE3	C	120.442	0.015	1
746	1	63	TRP	CZ2	C	114.136	0.022	1
747	1	63	TRP	CZ3	C	120.603	0.008	1
748	1	63	TRP	CH2	C	123.194	0.010	1
749	1	63	TRP	N	N	121.607	0.056	1
750	1	63	TRP	NE1	N	128.741	0.019	1
751	1	64	LEU	H	H	8.813	0.028	1
752	1	64	LEU	HA	H	4.028	0.006	1
753	1	64	LEU	HB2	H	1.632	0.003	2
754	1	64	LEU	HB3	H	1.942	0.002	2
755	1	64	LEU	HG	H	1.941	0.002	1
756	1	64	LEU	HD11	H	0.907	0.002	2
757	1	64	LEU	HD12	H	0.907	0.002	2
758	1	64	LEU	HD13	H	0.907	0.002	2
759	1	64	LEU	HD21	H	0.864	0.001	2
760	1	64	LEU	HD22	H	0.864	0.001	2
761	1	64	LEU	HD23	H	0.864	0.001	2
762	1	64	LEU	C	C	178.910	0.000	1
763	1	64	LEU	CA	C	57.316	0.035	1
764	1	64	LEU	CB	C	41.793	0.033	1
765	1	64	LEU	CG	C	27.001	0.048	1
766	1	64	LEU	CD1	C	26.098	0.035	2
767	1	64	LEU	CD2	C	23.408	0.010	2
768	1	64	LEU	N	N	119.562	0.016	1
769	1	65	GLN	H	H	7.864	0.009	1
770	1	65	GLN	HA	H	4.181	0.001	1
771	1	65	GLN	HB2	H	2.277	0.003	2
772	1	65	GLN	HB3	H	2.214	0.002	2
773	1	65	GLN	HG2	H	2.443	0.002	2
774	1	65	GLN	HG3	H	2.594	0.003	2
775	1	65	GLN	HE21	H	7.515	0.002	1
776	1	65	GLN	HE22	H	6.823	0.003	1
777	1	65	GLN	C	C	177.656	0.000	1
778	1	65	GLN	CA	C	58.093	0.059	1
779	1	65	GLN	CB	C	28.300	0.000	1
780	1	65	GLN	CG	C	34.264	0.054	1
781	1	65	GLN	N	N	118.016	0.039	1
782	1	65	GLN	NE2	N	111.374	0.004	1
783	1	66	MET	H	H	7.853	0.006	1
784	1	66	MET	HA	H	4.341	0.002	1
785	1	66	MET	HB2	H	2.216	0.003	2
786	1	66	MET	HB3	H	2.163	0.004	2
787	1	66	MET	HG2	H	2.841	0.002	2
788	1	66	MET	HG3	H	2.654	0.002	2
789	1	66	MET	HE1	H	2.145	0.001	1
790	1	66	MET	HE2	H	2.145	0.001	1
791	1	66	MET	HE3	H	2.145	0.001	1
792	1	66	MET	C	C	176.490	0.000	1
793	1	66	MET	CA	C	56.739	0.059	1
794	1	66	MET	CB	C	33.229	0.030	1
795	1	66	MET	CG	C	32.288	0.034	1
796	1	66	MET	CE	C	17.000	0.009	1
797	1	66	MET	N	N	116.941	0.075	1
798	1	67	ALA	H	H	7.786	0.035	1
799	1	67	ALA	HA	H	4.298	0.001	1
800	1	67	ALA	HB1	H	1.318	0.004	1
801	1	67	ALA	HB2	H	1.318	0.004	1
802	1	67	ALA	HB3	H	1.318	0.004	1
803	1	67	ALA	C	C	177.307	0.000	1
804	1	67	ALA	CA	C	52.885	0.099	1
805	1	67	ALA	CB	C	19.380	0.025	1
806	1	67	ALA	N	N	122.321	0.152	1
807	1	68	ASP	H	H	8.120	0.050	1
808	1	68	ASP	HA	H	4.789	0.008	1
809	1	68	ASP	HB2	H	2.875	0.008	2
810	1	68	ASP	HB3	H	2.608	0.001	2
811	1	68	ASP	C	C	176.572	0.000	1
812	1	68	ASP	CA	C	53.872	0.028	1
813	1	68	ASP	CB	C	40.299	0.007	1
814	1	68	ASP	N	N	118.520	0.117	1
815	1	69	THR	H	H	8.103	0.014	1
816	1	69	THR	HA	H	4.275	0.001	1
817	1	69	THR	HB	H	4.369	0.001	1
818	1	69	THR	HG21	H	1.260	0.006	1
819	1	69	THR	HG22	H	1.260	0.006	1
820	1	69	THR	HG23	H	1.260	0.006	1
821	1	69	THR	CA	C	62.914	0.015	1
822	1	69	THR	CB	C	69.367	0.011	1
823	1	69	THR	CG2	C	21.881	0.021	1
824	1	69	THR	N	N	114.150	0.102	1
825	1	70	ASN	HA	H	4.785	0.002	1
826	1	70	ASN	HB2	H	2.896	0.001	1
827	1	70	ASN	HD21	H	7.019	0.012	1
828	1	70	ASN	HD22	H	7.793	0.011	1
829	1	70	ASN	CA	C	53.114	0.019	1
830	1	70	ASN	CB	C	38.614	0.014	1
831	1	70	ASN	ND2	N	114.187	0.014	1
832	1	71	SER	HA	H	4.371	0.000	1
833	1	71	SER	HB2	H	3.937	0.000	1
834	1	71	SER	CA	C	58.485	0.000	1
835	1	71	SER	CB	C	63.079	0.024	1
836	1	72	ASP	HA	H	4.684	0.002	1
837	1	72	ASP	HB2	H	2.944	0.001	2
838	1	72	ASP	HB3	H	2.630	0.003	2
839	1	72	ASP	CA	C	53.678	0.023	1
840	1	72	ASP	CB	C	40.916	0.014	1
841	1	73	GLY	HA2	H	4.194	0.002	2
842	1	73	GLY	HA3	H	3.789	0.001	2
843	1	73	GLY	C	C	173.474	0.000	1
844	1	73	GLY	CA	C	45.685	0.041	1
845	1	74	SER	H	H	7.941	0.005	1
846	1	74	SER	HA	H	5.101	0.005	1
847	1	74	SER	HB2	H	3.694	0.006	2
848	1	74	SER	HB3	H	3.622	0.004	2
849	1	74	SER	C	C	173.575	0.000	1
850	1	74	SER	CA	C	57.375	0.003	1
851	1	74	SER	CB	C	65.726	0.066	1
852	1	74	SER	N	N	114.783	0.118	1
853	1	75	VAL	H	H	9.197	0.002	1
854	1	75	VAL	HA	H	4.808	0.008	1
855	1	75	VAL	HB	H	2.168	0.001	1
856	1	75	VAL	HG11	H	1.093	0.002	2
857	1	75	VAL	HG12	H	1.093	0.002	2
858	1	75	VAL	HG13	H	1.093	0.002	2
859	1	75	VAL	HG21	H	0.998	0.002	2
860	1	75	VAL	HG22	H	0.998	0.002	2
861	1	75	VAL	HG23	H	0.998	0.002	2
862	1	75	VAL	C	C	174.911	0.000	1
863	1	75	VAL	CA	C	60.774	0.041	1
864	1	75	VAL	CB	C	35.560	0.093	1
865	1	75	VAL	CG1	C	21.737	0.038	2
866	1	75	VAL	CG2	C	20.866	0.031	2
867	1	75	VAL	N	N	121.265	0.009	1
868	1	76	SER	H	H	8.904	0.011	1
869	1	76	SER	HA	H	5.271	0.002	1
870	1	76	SER	HB2	H	4.089	0.002	2
871	1	76	SER	HB3	H	4.401	0.002	2
872	1	76	SER	C	C	175.022	0.000	1
873	1	76	SER	CA	C	56.430	0.056	1
874	1	76	SER	CB	C	66.431	0.069	1
875	1	76	SER	N	N	121.390	0.016	1
876	1	77	LEU	H	H	8.354	0.009	1
877	1	77	LEU	HA	H	3.019	0.004	1
878	1	77	LEU	HB2	H	1.471	0.005	2
879	1	77	LEU	HB3	H	0.731	0.003	2
880	1	77	LEU	HG	H	1.404	0.003	1
881	1	77	LEU	HD11	H	0.683	0.001	2
882	1	77	LEU	HD12	H	0.683	0.001	2
883	1	77	LEU	HD13	H	0.683	0.001	2
884	1	77	LEU	HD21	H	0.837	0.003	2
885	1	77	LEU	HD22	H	0.837	0.003	2
886	1	77	LEU	HD23	H	0.837	0.003	2
887	1	77	LEU	C	C	178.042	0.000	1
888	1	77	LEU	CA	C	58.252	0.043	1
889	1	77	LEU	CB	C	40.363	0.055	1
890	1	77	LEU	CG	C	26.556	0.034	1
891	1	77	LEU	CD1	C	22.794	0.025	2
892	1	77	LEU	CD2	C	25.981	0.063	2
893	1	77	LEU	N	N	122.459	0.038	1
894	1	78	GLU	H	H	8.502	0.008	1
895	1	78	GLU	HA	H	3.913	0.001	1
896	1	78	GLU	HB2	H	1.976	0.001	1
897	1	78	GLU	HG2	H	2.255	0.007	2
898	1	78	GLU	HG3	H	2.368	0.001	2
899	1	78	GLU	C	C	179.649	0.000	1
900	1	78	GLU	CA	C	60.276	0.054	1
901	1	78	GLU	CB	C	28.949	0.001	1
902	1	78	GLU	CG	C	37.269	0.028	1
903	1	78	GLU	N	N	117.235	0.009	1
904	1	79	GLU	H	H	7.583	0.004	1
905	1	79	GLU	HA	H	4.194	0.003	1
906	1	79	GLU	HB2	H	2.519	0.007	2
907	1	79	GLU	HB3	H	2.087	0.001	2
908	1	79	GLU	HG2	H	2.516	0.001	2
909	1	79	GLU	HG3	H	2.381	0.002	2
910	1	79	GLU	C	C	179.228	0.000	1
911	1	79	GLU	CA	C	58.780	0.017	1
912	1	79	GLU	CB	C	29.788	0.065	1
913	1	79	GLU	CG	C	37.290	0.024	1
914	1	79	GLU	N	N	119.422	0.017	1
915	1	80	TYR	H	H	8.727	0.004	1
916	1	80	TYR	HA	H	4.344	0.002	1
917	1	80	TYR	HB2	H	3.128	0.003	1
918	1	80	TYR	HD1	H	6.916	0.002	1
919	1	80	TYR	HD2	H	6.916	0.002	1
920	1	80	TYR	HE1	H	6.689	0.001	1
921	1	80	TYR	HE2	H	6.689	0.001	1
922	1	80	TYR	C	C	176.975	0.000	1
923	1	80	TYR	CA	C	61.126	0.014	1
924	1	80	TYR	CB	C	38.477	0.006	1
925	1	80	TYR	CD1	C	132.375	0.014	1
926	1	80	TYR	CD2	C	132.375	0.014	1
927	1	80	TYR	CE1	C	117.850	0.010	1
928	1	80	TYR	CE2	C	117.850	0.010	1
929	1	80	TYR	N	N	122.734	0.023	1
930	1	81	GLU	H	H	8.829	0.008	1
931	1	81	GLU	HA	H	3.294	0.002	1
932	1	81	GLU	HB2	H	2.192	0.003	2
933	1	81	GLU	HB3	H	1.920	0.003	2
934	1	81	GLU	HG2	H	2.666	0.002	2
935	1	81	GLU	HG3	H	1.747	0.003	2
936	1	81	GLU	C	C	177.929	0.000	1
937	1	81	GLU	CA	C	60.580	0.035	1
938	1	81	GLU	CB	C	29.324	0.059	1
939	1	81	GLU	CG	C	37.306	0.031	1
940	1	81	GLU	N	N	118.190	0.030	1
941	1	82	ASP	H	H	7.407	0.003	1
942	1	82	ASP	HA	H	4.269	0.001	1
943	1	82	ASP	HB2	H	2.808	0.000	2
944	1	82	ASP	HB3	H	2.749	0.004	2
945	1	82	ASP	C	C	178.153	0.000	1
946	1	82	ASP	CA	C	57.536	0.037	1
947	1	82	ASP	CB	C	41.199	0.002	1
948	1	82	ASP	N	N	117.112	0.092	1
949	1	83	LEU	H	H	7.643	0.009	1
950	1	83	LEU	HA	H	3.647	0.002	1
951	1	83	LEU	HB2	H	1.763	0.003	2
952	1	83	LEU	HB3	H	1.297	0.004	2
953	1	83	LEU	HG	H	1.615	0.006	1
954	1	83	LEU	HD11	H	0.760	0.005	2
955	1	83	LEU	HD12	H	0.760	0.005	2
956	1	83	LEU	HD13	H	0.760	0.005	2
957	1	83	LEU	HD21	H	0.839	0.003	2
958	1	83	LEU	HD22	H	0.839	0.003	2
959	1	83	LEU	HD23	H	0.839	0.003	2
960	1	83	LEU	C	C	178.913	0.000	1
961	1	83	LEU	CA	C	58.493	0.102	1
962	1	83	LEU	CB	C	41.093	0.033	1
963	1	83	LEU	CG	C	27.025	0.043	1
964	1	83	LEU	CD1	C	25.727	0.019	2
965	1	83	LEU	CD2	C	25.522	0.015	2
966	1	83	LEU	N	N	121.533	0.009	1
967	1	84	ILE	H	H	8.099	0.008	1
968	1	84	ILE	HA	H	3.525	0.003	1
969	1	84	ILE	HB	H	1.977	0.003	1
970	1	84	ILE	HG12	H	0.577	0.002	2
971	1	84	ILE	HG13	H	1.021	0.003	2
972	1	84	ILE	HG21	H	0.419	0.004	1
973	1	84	ILE	HG22	H	0.419	0.004	1
974	1	84	ILE	HG23	H	0.419	0.004	1
975	1	84	ILE	HD11	H	0.429	0.003	1
976	1	84	ILE	HD12	H	0.429	0.003	1
977	1	84	ILE	HD13	H	0.429	0.003	1
978	1	84	ILE	C	C	179.336	0.000	1
979	1	84	ILE	CA	C	61.609	0.065	1
980	1	84	ILE	CB	C	34.305	0.029	1
981	1	84	ILE	CG1	C	26.684	0.034	1
982	1	84	ILE	CG2	C	16.972	0.021	1
983	1	84	ILE	CD1	C	9.068	0.036	1
984	1	84	ILE	N	N	120.310	0.028	1
985	1	85	ILE	H	H	8.345	0.006	1
986	1	85	ILE	HA	H	3.310	0.001	1
987	1	85	ILE	HB	H	2.041	0.003	1
988	1	85	ILE	HG12	H	1.338	0.001	2
989	1	85	ILE	HG13	H	1.111	0.003	2
990	1	85	ILE	HG21	H	0.663	0.003	1
991	1	85	ILE	HG22	H	0.663	0.003	1
992	1	85	ILE	HG23	H	0.663	0.003	1
993	1	85	ILE	HD11	H	0.135	0.003	1
994	1	85	ILE	HD12	H	0.135	0.003	1
995	1	85	ILE	HD13	H	0.135	0.003	1
996	1	85	ILE	C	C	177.921	0.000	1
997	1	85	ILE	CA	C	64.207	0.060	1
998	1	85	ILE	CB	C	35.842	0.015	1
999	1	85	ILE	CG1	C	27.588	0.038	1
1000	1	85	ILE	CG2	C	17.141	0.055	1
1001	1	85	ILE	CD1	C	10.752	0.056	1
1002	1	85	ILE	N	N	121.976	0.021	1
1003	1	86	LYS	H	H	7.853	0.007	1
1004	1	86	LYS	HA	H	3.943	0.003	1
1005	1	86	LYS	HB2	H	1.354	0.002	2
1006	1	86	LYS	HB3	H	1.128	0.006	2
1007	1	86	LYS	HG2	H	1.378	0.004	2
1008	1	86	LYS	HG3	H	1.189	0.001	2
1009	1	86	LYS	HD2	H	1.378	0.005	2
1010	1	86	LYS	HD3	H	1.439	0.004	2
1011	1	86	LYS	HE2	H	2.903	0.006	2
1012	1	86	LYS	HE3	H	2.873	0.001	2
1013	1	86	LYS	C	C	180.082	0.000	1
1014	1	86	LYS	CA	C	59.533	0.032	1
1015	1	86	LYS	CB	C	31.448	0.040	1
1016	1	86	LYS	CG	C	25.799	0.065	1
1017	1	86	LYS	CD	C	28.803	0.050	1
1018	1	86	LYS	CE	C	42.127	0.113	1
1019	1	86	LYS	N	N	119.349	0.043	1
1020	1	87	SER	H	H	8.020	0.006	1
1021	1	87	SER	HA	H	4.111	0.003	1
1022	1	87	SER	HB2	H	3.824	0.003	2
1023	1	87	SER	HB3	H	4.074	0.006	2
1024	1	87	SER	C	C	176.138	0.000	1
1025	1	87	SER	CA	C	61.335	0.051	1
1026	1	87	SER	CB	C	62.703	0.051	1
1027	1	87	SER	N	N	116.670	0.027	1
1028	1	88	LEU	H	H	8.428	0.008	1
1029	1	88	LEU	HA	H	3.917	0.003	1
1030	1	88	LEU	HB2	H	1.009	0.003	2
1031	1	88	LEU	HB3	H	1.869	0.002	2
1032	1	88	LEU	HG	H	1.886	0.005	1
1033	1	88	LEU	HD11	H	0.569	0.002	2
1034	1	88	LEU	HD12	H	0.569	0.002	2
1035	1	88	LEU	HD13	H	0.569	0.002	2
1036	1	88	LEU	HD21	H	0.607	0.003	2
1037	1	88	LEU	HD22	H	0.607	0.003	2
1038	1	88	LEU	HD23	H	0.607	0.003	2
1039	1	88	LEU	C	C	178.902	0.000	1
1040	1	88	LEU	CA	C	57.650	0.052	1
1041	1	88	LEU	CB	C	40.375	0.023	1
1042	1	88	LEU	CG	C	26.219	0.040	1
1043	1	88	LEU	CD1	C	26.595	0.021	2
1044	1	88	LEU	CD2	C	22.211	0.016	2
1045	1	88	LEU	N	N	125.180	0.021	1
1046	1	89	GLN	H	H	8.114	0.006	1
1047	1	89	GLN	HA	H	4.226	0.003	1
1048	1	89	GLN	HB2	H	2.235	0.003	2
1049	1	89	GLN	HB3	H	2.051	0.002	2
1050	1	89	GLN	HG2	H	2.320	0.002	2
1051	1	89	GLN	HG3	H	2.548	0.003	2
1052	1	89	GLN	HE21	H	7.327	0.009	1
1053	1	89	GLN	HE22	H	6.808	0.007	1
1054	1	89	GLN	C	C	180.891	0.000	1
1055	1	89	GLN	CA	C	58.881	0.074	1
1056	1	89	GLN	CB	C	28.593	0.017	1
1057	1	89	GLN	CG	C	34.909	0.029	1
1058	1	89	GLN	N	N	118.149	0.015	1
1059	1	89	GLN	NE2	N	111.426	0.036	1
1060	1	90	LYS	H	H	7.898	0.005	1
1061	1	90	LYS	HA	H	4.104	0.002	1
1062	1	90	LYS	HB2	H	2.159	0.009	2
1063	1	90	LYS	HB3	H	2.053	0.001	2
1064	1	90	LYS	HG2	H	1.638	0.005	1
1065	1	90	LYS	HD2	H	1.844	0.003	1
1066	1	90	LYS	HE2	H	3.046	0.003	1
1067	1	90	LYS	C	C	177.489	0.000	1
1068	1	90	LYS	CA	C	58.988	0.047	1
1069	1	90	LYS	CB	C	32.100	0.039	1
1070	1	90	LYS	CG	C	25.462	0.065	1
1071	1	90	LYS	CD	C	29.295	0.084	1
1072	1	90	LYS	CE	C	41.982	0.098	1
1073	1	90	LYS	N	N	121.874	0.041	1
1074	1	91	ALA	H	H	7.526	0.004	1
1075	1	91	ALA	HA	H	4.124	0.002	1
1076	1	91	ALA	HB1	H	1.163	0.002	1
1077	1	91	ALA	HB2	H	1.163	0.002	1
1078	1	91	ALA	HB3	H	1.163	0.002	1
1079	1	91	ALA	C	C	176.887	0.000	1
1080	1	91	ALA	CA	C	52.363	0.025	1
1081	1	91	ALA	CB	C	18.221	0.025	1
1082	1	91	ALA	N	N	119.766	0.017	1
1083	1	92	GLY	H	H	7.636	0.000	1
1084	1	92	GLY	HA2	H	4.155	0.003	2
1085	1	92	GLY	HA3	H	3.653	0.002	2
1086	1	92	GLY	C	C	174.386	0.000	1
1087	1	92	GLY	CA	C	45.109	0.076	1
1088	1	92	GLY	N	N	105.375	0.000	1
1089	1	93	ILE	H	H	7.709	0.009	1
1090	1	93	ILE	HA	H	3.918	0.002	1
1091	1	93	ILE	HB	H	1.574	0.002	1
1092	1	93	ILE	HG12	H	1.186	0.003	1
1093	1	93	ILE	HG21	H	0.673	0.006	1
1094	1	93	ILE	HG22	H	0.673	0.006	1
1095	1	93	ILE	HG23	H	0.673	0.006	1
1096	1	93	ILE	HD11	H	0.684	0.002	1
1097	1	93	ILE	HD12	H	0.684	0.002	1
1098	1	93	ILE	HD13	H	0.684	0.002	1
1099	1	93	ILE	C	C	175.209	0.000	1
1100	1	93	ILE	CA	C	59.701	0.082	1
1101	1	93	ILE	CB	C	37.086	0.037	1
1102	1	93	ILE	CG1	C	28.223	0.041	1
1103	1	93	ILE	CG2	C	17.046	0.023	1
1104	1	93	ILE	CD1	C	11.882	0.010	1
1105	1	93	ILE	N	N	122.742	0.029	1
1106	1	94	ARG	H	H	8.381	0.007	1
1107	1	94	ARG	HA	H	4.183	0.002	1
1108	1	94	ARG	HB2	H	1.764	0.003	1
1109	1	94	ARG	HG2	H	1.645	0.003	2
1110	1	94	ARG	HG3	H	1.421	0.002	2
1111	1	94	ARG	HD2	H	3.230	0.001	2
1112	1	94	ARG	HD3	H	3.176	0.003	2
1113	1	94	ARG	C	C	175.371	0.000	1
1114	1	94	ARG	CA	C	56.325	0.045	1
1115	1	94	ARG	CB	C	29.969	0.041	1
1116	1	94	ARG	CG	C	27.331	0.067	1
1117	1	94	ARG	CD	C	43.191	0.058	1
1118	1	94	ARG	N	N	127.803	0.032	1
1119	1	95	VAL	H	H	8.327	0.005	1
1120	1	95	VAL	HA	H	4.322	0.003	1
1121	1	95	VAL	HB	H	1.991	0.002	1
1122	1	95	VAL	HG11	H	0.764	0.003	2
1123	1	95	VAL	HG12	H	0.764	0.003	2
1124	1	95	VAL	HG13	H	0.764	0.003	2
1125	1	95	VAL	HG21	H	0.782	0.004	2
1126	1	95	VAL	HG22	H	0.782	0.004	2
1127	1	95	VAL	HG23	H	0.782	0.004	2
1128	1	95	VAL	C	C	175.188	0.000	1
1129	1	95	VAL	CA	C	61.785	0.076	1
1130	1	95	VAL	CB	C	32.999	0.049	1
1131	1	95	VAL	CG1	C	22.197	0.031	2
1132	1	95	VAL	CG2	C	20.013	0.034	2
1133	1	95	VAL	N	N	125.726	0.074	1
1134	1	96	GLU	H	H	8.556	0.005	1
1135	1	96	GLU	HA	H	4.622	0.001	1
1136	1	96	GLU	HB2	H	1.831	0.002	2
1137	1	96	GLU	HB3	H	1.992	0.000	2
1138	1	96	GLU	HG2	H	2.188	0.001	1
1139	1	96	GLU	C	C	175.545	0.000	1
1140	1	96	GLU	CA	C	55.141	0.064	1
1141	1	96	GLU	CB	C	32.066	0.026	1
1142	1	96	GLU	CG	C	36.156	0.038	1
1143	1	96	GLU	N	N	126.158	0.063	1
1144	1	97	LYS	H	H	8.717	0.005	1
1145	1	97	LYS	HA	H	4.231	0.002	1
1146	1	97	LYS	HB2	H	1.699	0.003	2
1147	1	97	LYS	HB3	H	1.628	0.004	2
1148	1	97	LYS	HG2	H	1.278	0.006	2
1149	1	97	LYS	HG3	H	1.197	0.002	2
1150	1	97	LYS	HD2	H	1.574	0.001	1
1151	1	97	LYS	HE2	H	2.881	0.001	1
1152	1	97	LYS	C	C	176.731	0.000	1
1153	1	97	LYS	CA	C	56.634	0.055	1
1154	1	97	LYS	CB	C	33.086	0.044	1
1155	1	97	LYS	CG	C	25.326	0.047	1
1156	1	97	LYS	CD	C	29.244	0.069	1
1157	1	97	LYS	CE	C	41.813	0.035	1
1158	1	97	LYS	N	N	124.940	0.058	1
1159	1	98	GLN	H	H	8.680	0.006	1
1160	1	98	GLN	HA	H	4.273	0.001	1
1161	1	98	GLN	HB2	H	1.807	0.001	2
1162	1	98	GLN	HB3	H	2.012	0.002	2
1163	1	98	GLN	HG2	H	2.197	0.001	1
1164	1	98	GLN	HE21	H	7.347	0.010	1
1165	1	98	GLN	HE22	H	7.051	0.002	1
1166	1	98	GLN	C	C	175.571	0.000	1
1167	1	98	GLN	CA	C	55.499	0.047	1
1168	1	98	GLN	CB	C	29.432	0.034	1
1169	1	98	GLN	CG	C	33.926	0.036	1
1170	1	98	GLN	N	N	123.325	0.035	1
1171	1	98	GLN	NE2	N	112.820	0.020	1
1172	1	99	SER	H	H	8.419	0.009	1
1173	1	99	SER	HA	H	4.404	0.001	1
1174	1	99	SER	HB2	H	3.794	0.003	1
1175	1	99	SER	C	C	174.011	0.000	1
1176	1	99	SER	CA	C	58.067	0.069	1
1177	1	99	SER	CB	C	63.687	0.065	1
1178	1	99	SER	N	N	117.696	0.037	1
1179	1	100	LEU	H	H	8.295	0.006	1
1180	1	100	LEU	HA	H	4.351	0.001	1
1181	1	100	LEU	HB2	H	1.500	0.004	2
1182	1	100	LEU	HB3	H	1.597	0.001	2
1183	1	100	LEU	HG	H	1.568	0.008	1
1184	1	100	LEU	HD11	H	0.837	0.001	2
1185	1	100	LEU	HD12	H	0.837	0.001	2
1186	1	100	LEU	HD13	H	0.837	0.001	2
1187	1	100	LEU	HD21	H	0.900	0.001	2
1188	1	100	LEU	HD22	H	0.900	0.001	2
1189	1	100	LEU	HD23	H	0.900	0.001	2
1190	1	100	LEU	C	C	176.560	0.000	1
1191	1	100	LEU	CA	C	55.017	0.033	1
1192	1	100	LEU	CB	C	42.449	0.024	1
1193	1	100	LEU	CG	C	27.051	0.046	1
1194	1	100	LEU	CD1	C	23.417	0.020	2
1195	1	100	LEU	CD2	C	24.950	0.029	2
1196	1	100	LEU	N	N	124.279	0.026	1
1197	1	101	VAL	H	H	7.952	0.007	1
1198	1	101	VAL	HA	H	4.049	0.001	1
1199	1	101	VAL	HB	H	1.954	0.001	1
1200	1	101	VAL	HG11	H	0.843	0.002	2
1201	1	101	VAL	HG12	H	0.843	0.002	2
1202	1	101	VAL	HG13	H	0.843	0.002	2
1203	1	101	VAL	HG21	H	0.835	0.003	2
1204	1	101	VAL	HG22	H	0.835	0.003	2
1205	1	101	VAL	HG23	H	0.835	0.003	2
1206	1	101	VAL	C	C	174.662	0.000	1
1207	1	101	VAL	CA	C	62.060	0.072	1
1208	1	101	VAL	CB	C	32.985	0.041	1
1209	1	101	VAL	CG1	C	21.132	0.039	2
1210	1	101	VAL	CG2	C	20.332	0.014	2
1211	1	101	VAL	N	N	120.943	0.027	1
1212	1	102	PHE	H	H	7.778	0.006	1
1213	1	102	PHE	HA	H	4.431	0.002	1
1214	1	102	PHE	HB2	H	2.924	0.004	2
1215	1	102	PHE	HB3	H	3.131	0.009	2
1216	1	102	PHE	HD1	H	7.218	0.007	1
1217	1	102	PHE	HD2	H	7.218	0.007	1
1218	1	102	PHE	HE1	H	7.313	0.001	1
1219	1	102	PHE	HE2	H	7.313	0.001	1
1220	1	102	PHE	HZ	H	7.288	0.023	1
1221	1	102	PHE	CA	C	58.968	0.019	1
1222	1	102	PHE	CB	C	40.466	0.055	1
1223	1	102	PHE	CD1	C	132.045	0.000	1
1224	1	102	PHE	CD2	C	132.045	0.000	1
1225	1	102	PHE	CE1	C	131.071	0.009	1
1226	1	102	PHE	CE2	C	131.071	0.009	1
1227	1	102	PHE	CZ	C	129.444	0.002	1
1228	1	102	PHE	N	N	129.080	0.024	1

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	na	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	na	indirect	0.1013291

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	na	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	na	indirect	0.1013291

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	na	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	na	indirect	0.1013291

Referencing offset: -0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	na	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	na	indirect	0.1013291

Referencing offset: -0.28 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2NCO, Strand ID: A Detail

Heteronucl. T₁

87 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.5 Detail

Heteronucl. T₂

84 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.5 Detail

Heteronucl. NOE

87 NOE values in 1 lists
Value type peak integral, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.5 Detail

Heteronucl. T₁/T₂

84 T₁/T₂ values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.5 Detail

Release date

2016-07-13

Citation

Backbone and side-chain chemical shift assignments for the C-terminal domain of Tcb2, a cytoskeletal calcium-binding protein from Tetrahymena thermophila
Kilpatrick, A.M., Gurrola, T., Sterner, R.C., Sleister, H.M., Honts, J.E., Fowler, C.
Biomol. NMR Assign. (2016), 10, 281-285, PubMed 27155947 , DOI 10.1007/s12104-016-9684-9 , Abstract

Related entities 1. Tcb2-C, : 1 : 2 : 23 entities Detail

Experiments performed 18 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
2	TRIS	natural abundance	25 mM
3	potassium chloride	natural abundance	50 mM
4	magnesium chloride	natural abundance	5 mM
5	EGTA	natural abundance	1 mM

2 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
2	TRIS	natural abundance	25 mM
3	potassium chloride	natural abundance	50 mM
4	magnesium chloride	natural abundance	5 mM
5	EGTA	natural abundance	1 mM

3 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
2	TRIS	natural abundance	25 mM
3	potassium chloride	natural abundance	50 mM
4	magnesium chloride	natural abundance	5 mM
5	EGTA	natural abundance	1 mM

4 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
2	TRIS	natural abundance	25 mM
3	potassium chloride	natural abundance	50 mM
4	magnesium chloride	natural abundance	5 mM
5	EGTA	natural abundance	1 mM

5 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
2	TRIS	natural abundance	25 mM
3	potassium chloride	natural abundance	50 mM
4	magnesium chloride	natural abundance	5 mM
5	EGTA	natural abundance	1 mM

6 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
2	TRIS	natural abundance	25 mM
3	potassium chloride	natural abundance	50 mM
4	magnesium chloride	natural abundance	5 mM
5	EGTA	natural abundance	1 mM

7 2D 1H-13C HMQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
6	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
7	TRIS	natural abundance	25 mM
8	potassium chloride	natural abundance	50 mM
9	magnesium chloride	natural abundance	5 mM
10	EGTA	natural abundance	1 mM

8 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
6	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
7	TRIS	natural abundance	25 mM
8	potassium chloride	natural abundance	50 mM
9	magnesium chloride	natural abundance	5 mM
10	EGTA	natural abundance	1 mM

9 3D 1H-13C NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
6	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
7	TRIS	natural abundance	25 mM
8	potassium chloride	natural abundance	50 mM
9	magnesium chloride	natural abundance	5 mM
10	EGTA	natural abundance	1 mM

10 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
11	Tcb2-C	[U-98% 15N]	0.75 mM
12	TRIS	natural abundance	25 mM
13	potassium chloride	natural abundance	50 mM
14	magnesium chloride	natural abundance	5 mM
15	EGTA	natural abundance	1 mM

11 2D 1H-1H COSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
16	Tcb2-C	natural abundance	1.1 mM
17	TRIS	natural abundance	25 mM
18	potassium chloride	natural abundance	50 mM
19	magnesium chloride	natural abundance	5 mM
20	EGTA	natural abundance	1 mM

12 2D 1H-1H TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
16	Tcb2-C	natural abundance	1.1 mM
17	TRIS	natural abundance	25 mM
18	potassium chloride	natural abundance	50 mM
19	magnesium chloride	natural abundance	5 mM
20	EGTA	natural abundance	1 mM

13 2D 1H-1H NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
16	Tcb2-C	natural abundance	1.1 mM
17	TRIS	natural abundance	25 mM
18	potassium chloride	natural abundance	50 mM
19	magnesium chloride	natural abundance	5 mM
20	EGTA	natural abundance	1 mM

14 2D (HB)CB(CGCD)HD

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
6	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
7	TRIS	natural abundance	25 mM
8	potassium chloride	natural abundance	50 mM
9	magnesium chloride	natural abundance	5 mM
10	EGTA	natural abundance	1 mM

15 2D (HB)CB(CGCDCE)HE

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
6	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
7	TRIS	natural abundance	25 mM
8	potassium chloride	natural abundance	50 mM
9	magnesium chloride	natural abundance	5 mM
10	EGTA	natural abundance	1 mM

16 Heteronuclear NOE ratio

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
2	TRIS	natural abundance	25 mM
3	potassium chloride	natural abundance	50 mM
4	magnesium chloride	natural abundance	5 mM
5	EGTA	natural abundance	1 mM

17 T1 experiments

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
2	TRIS	natural abundance	25 mM
3	potassium chloride	natural abundance	50 mM
4	magnesium chloride	natural abundance	5 mM
5	EGTA	natural abundance	1 mM

18 T2 experiments

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
2	TRIS	natural abundance	25 mM
3	potassium chloride	natural abundance	50 mM
4	magnesium chloride	natural abundance	5 mM
5	EGTA	natural abundance	1 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_26723_2nco.nef
Input source #2: Coordindates	2nco.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

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

None

Non-standard residues

None

Sequence alignments

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

---120-----130-------140-------150-------160-------170-------180-------190-------200-------210------
SSKPKYNPEVEAKLDVARRLFKRYDKDGSGQLQDDEIAGLLKDTYAEMGMSNFTPTKEDVKIWLQMADTNSDGSVSLEEYEDLIIKSLQKAGIRVEKQSL
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SSKPKYNPEVEAKLDVARRLFKRYDKDGSGQLQDDEIAGLLKDTYAEMGMSNFTPTKEDVKIWLQMADTNSDGSVSLEEYEDLIIKSLQKAGIRVEKQSL
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

--
VF
||
VF
--

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	102	0	0	100.0

Content subtype: combined_26723_2nco.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1118		99.0 (chain: A, length: 102)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	Warning	2704 (1)	noe	95.1 (chain: A, length: 102)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	OK	192 (192)	.	99.0 (chain: A, length: 102)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 102, Sequence coverage: 99.0%
- Total number of assignments
  - ¹H chemical shifts: 567
  - ¹³C chemical shifts: 450
  - ¹⁵N chemical shifts: 101
- Completeness of assignments
  - Entity_assemble_ID: A
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	632	567	89.7
¹³C chemical shifts	464	450	97.0
¹⁵N chemical shifts	112	101	90.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	207	198	95.7
¹³C chemical shifts	204	191	93.6
¹⁵N chemical shifts	99	92	92.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	425	369	86.8
¹³C chemical shifts	260	259	99.6
¹⁵N chemical shifts	13	9	69.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	55	55	100.0
¹³C chemical shifts	55	55	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	37	37	100.0
¹³C chemical shifts	36	36	100.0
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 102, Sequence coverage: 95.1%
- Total number of restraints: 2702
- Weight of restraints: 1.0 (2702)
- Potential type of restraints: upper-bound-parabolic (2702)
- Range of distance target values: 2.36, 5.94 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 102, Sequence coverage: 99.0%
- Total number of restraints: 192
- Total number of restraints per polymer type: 192
- Weight of restraints: 1.0 (192)
- Potential type of restraints: square-well-parabolic (192)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords Tetrahymena, calcium-binding protein

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Found 1 Document (0.749 seconds)

BMRB: 26723

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Tcb2-C, : 1 : 2 : 23 entities Detail

Experiments performed 18 experiments Detail

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NMR combined restraints 4 contents Detail