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BMRB: 26724

2NCP

NMR chemical shift assignments for the C-terminal domain of Tetrahymena Tcb2 in the presence of calcium

Authors

Kilpatrick, A.M., Gurrola, T., Fowler, C.

Assembly

Tcb2-C

Entity

1. Tcb2-C (polymer, Thiol state: not present), 102 monomers, 11562.90 Da Detail

SSKPKYNPEV EAKLDVARRL FKRYDKDGSG QLQDDEIAGL LKDTYAEMGM SNFTPTKEDV KIWLQMADTN SDGSVSLEEY EDLIIKSLQK AGIRVEKQSL VF

2. Tcb2-C, entity CA (non-polymer), 40.078 × 2 Da

Total weight

11643.057 Da

Max. entity weight

11562.9 Da

Source organism

Tetrahymena thermophila

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation

Chemcal Shifts

¹H: 679, ¹³C: 457, ¹⁵N: 106 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	2	SER	HA	H	4.525	0.003	1
2	1	2	SER	HB2	H	3.845	0.002	1
3	1	2	SER	C	C	173.753	0.022	1
4	1	2	SER	CA	C	58.096	0.016	1
5	1	2	SER	CB	C	63.705	0.069	1
6	1	3	LYS	H	H	8.366	0.001	1
7	1	3	LYS	HA	H	4.593	0.002	1
8	1	3	LYS	HB2	H	1.810	0.004	2
9	1	3	LYS	HB3	H	1.690	0.005	2
10	1	3	LYS	HG2	H	1.476	0.004	1
11	1	3	LYS	HD2	H	1.700	0.001	1
12	1	3	LYS	HE2	H	2.994	0.001	1
13	1	3	LYS	C	C	174.270	0.000	1
14	1	3	LYS	CA	C	54.199	0.032	1
15	1	3	LYS	CB	C	32.443	0.058	1
16	1	3	LYS	CG	C	24.559	0.041	1
17	1	3	LYS	CD	C	29.041	0.006	1
18	1	3	LYS	CE	C	41.912	0.012	1
19	1	3	LYS	N	N	124.478	0.004	1
20	1	4	PRO	HA	H	4.310	0.003	1
21	1	4	PRO	HB2	H	2.083	0.010	2
22	1	4	PRO	HB3	H	1.629	0.013	2
23	1	4	PRO	HG2	H	1.941	0.002	1
24	1	4	PRO	HD2	H	3.792	0.003	2
25	1	4	PRO	HD3	H	3.616	0.004	2
26	1	4	PRO	C	C	175.600	0.014	1
27	1	4	PRO	CA	C	62.909	0.019	1
28	1	4	PRO	CB	C	32.263	0.047	1
29	1	4	PRO	CG	C	27.306	0.046	1
30	1	4	PRO	CD	C	50.635	0.025	1
31	1	5	LYS	H	H	8.217	0.001	1
32	1	5	LYS	HA	H	4.262	0.003	1
33	1	5	LYS	HB2	H	1.614	0.009	2
34	1	5	LYS	HB3	H	1.541	0.005	2
35	1	5	LYS	HG2	H	1.363	0.004	2
36	1	5	LYS	HG3	H	1.291	0.001	2
37	1	5	LYS	HD2	H	1.618	0.003	1
38	1	5	LYS	HE2	H	2.949	0.002	1
39	1	5	LYS	C	C	175.975	0.057	1
40	1	5	LYS	CA	C	55.614	0.072	1
41	1	5	LYS	CB	C	34.281	0.053	1
42	1	5	LYS	CG	C	25.057	0.099	1
43	1	5	LYS	CD	C	29.053	0.051	1
44	1	5	LYS	CE	C	41.888	0.048	1
45	1	5	LYS	N	N	121.214	0.002	1
46	1	6	TYR	H	H	8.959	0.001	1
47	1	6	TYR	HA	H	5.102	0.004	1
48	1	6	TYR	HB2	H	3.233	0.003	2
49	1	6	TYR	HB3	H	2.705	0.003	2
50	1	6	TYR	HD1	H	7.020	0.003	1
51	1	6	TYR	HD2	H	7.020	0.003	1
52	1	6	TYR	HE1	H	6.611	0.002	1
53	1	6	TYR	HE2	H	6.611	0.002	1
54	1	6	TYR	C	C	174.498	0.038	1
55	1	6	TYR	CA	C	57.051	0.054	1
56	1	6	TYR	CB	C	41.082	0.038	1
57	1	6	TYR	CD1	C	133.239	0.024	1
58	1	6	TYR	CD2	C	133.239	0.024	1
59	1	6	TYR	CE1	C	117.527	0.042	1
60	1	6	TYR	CE2	C	117.527	0.042	1
61	1	6	TYR	N	N	121.098	0.002	1
62	1	7	ASN	H	H	8.897	0.001	1
63	1	7	ASN	HA	H	4.738	0.007	1
64	1	7	ASN	HB2	H	2.930	0.002	2
65	1	7	ASN	HB3	H	3.109	0.011	2
66	1	7	ASN	HD21	H	7.762	0.001	1
67	1	7	ASN	HD22	H	7.077	0.002	1
68	1	7	ASN	C	C	174.114	0.000	1
69	1	7	ASN	CA	C	52.586	0.056	1
70	1	7	ASN	CB	C	35.751	0.036	1
71	1	7	ASN	N	N	116.410	0.021	1
72	1	7	ASN	ND2	N	114.731	0.003	1
73	1	8	PRO	HA	H	4.270	0.003	1
74	1	8	PRO	HB2	H	2.440	0.007	2
75	1	8	PRO	HB3	H	2.010	0.008	2
76	1	8	PRO	HG2	H	2.223	0.004	2
77	1	8	PRO	HG3	H	2.141	0.005	2
78	1	8	PRO	HD2	H	3.901	0.005	1
79	1	8	PRO	C	C	178.781	0.041	1
80	1	8	PRO	CA	C	66.416	0.010	1
81	1	8	PRO	CB	C	32.224	0.043	1
82	1	8	PRO	CG	C	27.820	0.023	1
83	1	8	PRO	CD	C	50.745	0.010	1
84	1	9	GLU	H	H	9.270	0.001	1
85	1	9	GLU	HA	H	4.107	0.004	1
86	1	9	GLU	HB2	H	2.047	0.006	1
87	1	9	GLU	HG2	H	2.381	0.004	1
88	1	9	GLU	C	C	178.924	0.022	1
89	1	9	GLU	CA	C	59.800	0.002	1
90	1	9	GLU	CB	C	28.900	0.000	1
91	1	9	GLU	N	N	118.362	0.011	1
92	1	10	VAL	H	H	7.587	0.002	1
93	1	10	VAL	HA	H	3.520	0.003	1
94	1	10	VAL	HB	H	2.170	0.005	1
95	1	10	VAL	HG11	H	0.498	0.003	2
96	1	10	VAL	HG12	H	0.498	0.003	2
97	1	10	VAL	HG13	H	0.498	0.003	2
98	1	10	VAL	HG21	H	1.084	0.003	2
99	1	10	VAL	HG22	H	1.084	0.003	2
100	1	10	VAL	HG23	H	1.084	0.003	2
101	1	10	VAL	C	C	177.947	0.027	1
102	1	10	VAL	CA	C	65.485	0.034	1
103	1	10	VAL	CB	C	32.122	0.024	1
104	1	10	VAL	CG1	C	21.610	0.014	2
105	1	10	VAL	CG2	C	24.246	0.034	2
106	1	10	VAL	N	N	120.407	0.012	1
107	1	11	GLU	H	H	8.427	0.001	1
108	1	11	GLU	HA	H	3.975	0.002	1
109	1	11	GLU	HB2	H	2.002	0.006	1
110	1	11	GLU	HG2	H	2.280	0.001	1
111	1	11	GLU	C	C	178.574	0.016	1
112	1	11	GLU	CA	C	59.545	0.033	1
113	1	11	GLU	CB	C	29.050	0.000	1
114	1	11	GLU	CG	C	36.265	0.000	1
115	1	11	GLU	N	N	120.068	0.009	1
116	1	12	ALA	H	H	8.040	0.002	1
117	1	12	ALA	HA	H	4.280	0.003	1
118	1	12	ALA	HB1	H	1.525	0.003	1
119	1	12	ALA	HB2	H	1.525	0.003	1
120	1	12	ALA	HB3	H	1.525	0.003	1
121	1	12	ALA	C	C	180.930	0.047	1
122	1	12	ALA	CA	C	55.178	0.050	1
123	1	12	ALA	CB	C	17.926	0.074	1
124	1	12	ALA	N	N	119.156	0.009	1
125	1	13	LYS	H	H	7.186	0.001	1
126	1	13	LYS	HA	H	4.122	0.008	1
127	1	13	LYS	HB2	H	2.015	0.001	2
128	1	13	LYS	HB3	H	1.833	0.012	2
129	1	13	LYS	HG2	H	1.527	0.005	2
130	1	13	LYS	HG3	H	1.632	0.003	2
131	1	13	LYS	HE2	H	2.960	0.006	1
132	1	13	LYS	C	C	180.047	0.033	1
133	1	13	LYS	CA	C	58.458	0.005	1
134	1	13	LYS	CB	C	32.194	0.055	1
135	1	13	LYS	CG	C	25.009	0.026	1
136	1	13	LYS	CE	C	41.988	0.027	1
137	1	13	LYS	N	N	117.823	0.020	1
138	1	14	LEU	H	H	8.576	0.001	1
139	1	14	LEU	HA	H	4.040	0.002	1
140	1	14	LEU	HB2	H	1.179	0.007	2
141	1	14	LEU	HB3	H	1.986	0.007	2
142	1	14	LEU	HG	H	1.543	0.003	1
143	1	14	LEU	HD11	H	0.673	0.005	2
144	1	14	LEU	HD12	H	0.673	0.005	2
145	1	14	LEU	HD13	H	0.673	0.005	2
146	1	14	LEU	HD21	H	0.721	0.004	2
147	1	14	LEU	HD22	H	0.721	0.004	2
148	1	14	LEU	HD23	H	0.721	0.004	2
149	1	14	LEU	C	C	178.755	0.043	1
150	1	14	LEU	CA	C	57.437	0.007	1
151	1	14	LEU	CB	C	40.919	0.049	1
152	1	14	LEU	CG	C	26.608	0.020	1
153	1	14	LEU	CD1	C	22.372	0.058	2
154	1	14	LEU	CD2	C	26.211	0.071	2
155	1	14	LEU	N	N	121.673	0.031	1
156	1	15	ASP	H	H	8.610	0.001	1
157	1	15	ASP	HA	H	4.558	0.004	1
158	1	15	ASP	HB2	H	2.904	0.014	2
159	1	15	ASP	HB3	H	2.731	0.007	2
160	1	15	ASP	C	C	179.202	0.032	1
161	1	15	ASP	CA	C	58.078	0.024	1
162	1	15	ASP	CB	C	40.641	0.037	1
163	1	15	ASP	N	N	120.383	0.010	1
164	1	16	VAL	H	H	7.298	0.001	1
165	1	16	VAL	HA	H	3.650	0.006	1
166	1	16	VAL	HB	H	2.290	0.002	1
167	1	16	VAL	HG11	H	1.045	0.003	2
168	1	16	VAL	HG12	H	1.045	0.003	2
169	1	16	VAL	HG13	H	1.045	0.003	2
170	1	16	VAL	HG21	H	1.181	0.002	2
171	1	16	VAL	HG22	H	1.181	0.002	2
172	1	16	VAL	HG23	H	1.181	0.002	2
173	1	16	VAL	C	C	178.103	0.032	1
174	1	16	VAL	CA	C	66.713	0.026	1
175	1	16	VAL	CB	C	31.888	0.019	1
176	1	16	VAL	CG1	C	21.165	0.031	2
177	1	16	VAL	CG2	C	22.560	0.039	2
178	1	16	VAL	N	N	119.613	0.021	1
179	1	17	ALA	H	H	7.778	0.003	1
180	1	17	ALA	HA	H	4.404	0.009	1
181	1	17	ALA	HB1	H	1.516	0.009	1
182	1	17	ALA	HB2	H	1.516	0.009	1
183	1	17	ALA	HB3	H	1.516	0.009	1
184	1	17	ALA	C	C	179.707	0.002	1
185	1	17	ALA	CA	C	55.245	0.080	1
186	1	17	ALA	CB	C	18.189	0.036	1
187	1	17	ALA	N	N	122.809	0.016	1
188	1	18	ARG	H	H	9.097	0.001	1
189	1	18	ARG	HA	H	4.070	0.004	1
190	1	18	ARG	HB2	H	1.974	0.003	2
191	1	18	ARG	HB3	H	2.037	0.001	2
192	1	18	ARG	HG2	H	1.887	0.009	1
193	1	18	ARG	HD2	H	3.155	0.003	2
194	1	18	ARG	HD3	H	3.192	0.005	2
195	1	18	ARG	C	C	179.224	0.026	1
196	1	18	ARG	CA	C	60.094	0.131	1
197	1	18	ARG	CB	C	30.222	0.047	1
198	1	18	ARG	CG	C	29.014	0.133	1
199	1	18	ARG	CD	C	43.588	0.023	1
200	1	18	ARG	N	N	118.442	0.023	1
201	1	19	ARG	H	H	7.750	0.001	1
202	1	19	ARG	HA	H	4.130	0.006	1
203	1	19	ARG	HB2	H	2.049	0.009	2
204	1	19	ARG	HB3	H	1.992	0.006	2
205	1	19	ARG	HG2	H	1.923	0.005	2
206	1	19	ARG	HG3	H	1.654	0.005	2
207	1	19	ARG	HD2	H	3.315	0.003	2
208	1	19	ARG	HD3	H	3.210	0.004	2
209	1	19	ARG	C	C	179.549	0.023	1
210	1	19	ARG	CA	C	59.695	0.046	1
211	1	19	ARG	CB	C	30.204	0.021	1
212	1	19	ARG	CG	C	28.283	0.042	1
213	1	19	ARG	CD	C	43.649	0.071	1
214	1	19	ARG	N	N	119.529	0.001	1
215	1	20	LEU	H	H	8.406	0.004	1
216	1	20	LEU	HA	H	4.107	0.003	1
217	1	20	LEU	HB2	H	1.829	0.004	2
218	1	20	LEU	HB3	H	2.179	0.003	2
219	1	20	LEU	HG	H	1.905	0.002	1
220	1	20	LEU	HD11	H	1.013	0.003	2
221	1	20	LEU	HD12	H	1.013	0.003	2
222	1	20	LEU	HD13	H	1.013	0.003	2
223	1	20	LEU	HD21	H	1.066	0.001	2
224	1	20	LEU	HD22	H	1.066	0.001	2
225	1	20	LEU	HD23	H	1.066	0.001	2
226	1	20	LEU	C	C	178.357	0.039	1
227	1	20	LEU	CA	C	58.210	0.062	1
228	1	20	LEU	CB	C	41.893	0.036	1
229	1	20	LEU	CG	C	27.247	0.025	1
230	1	20	LEU	CD1	C	24.067	0.034	2
231	1	20	LEU	CD2	C	25.514	0.024	2
232	1	20	LEU	N	N	122.936	0.020	1
233	1	21	PHE	H	H	8.940	0.000	1
234	1	21	PHE	HA	H	3.648	0.005	1
235	1	21	PHE	HB2	H	3.152	0.004	2
236	1	21	PHE	HB3	H	3.393	0.003	2
237	1	21	PHE	HD1	H	6.920	0.003	1
238	1	21	PHE	HD2	H	6.920	0.003	1
239	1	21	PHE	HE1	H	7.070	0.003	1
240	1	21	PHE	HE2	H	7.070	0.003	1
241	1	21	PHE	HZ	H	7.227	0.003	1
242	1	21	PHE	C	C	176.851	0.091	1
243	1	21	PHE	CA	C	62.576	0.064	1
244	1	21	PHE	CB	C	39.866	0.056	1
245	1	21	PHE	CD1	C	131.870	0.048	1
246	1	21	PHE	CD2	C	131.870	0.048	1
247	1	21	PHE	CE1	C	131.184	0.116	1
248	1	21	PHE	CE2	C	131.184	0.116	1
249	1	21	PHE	CZ	C	130.015	0.033	1
250	1	21	PHE	N	N	120.064	0.003	1
251	1	22	LYS	H	H	7.717	0.001	1
252	1	22	LYS	HA	H	4.090	0.004	1
253	1	22	LYS	HB2	H	2.017	0.003	1
254	1	22	LYS	HG2	H	1.663	0.005	2
255	1	22	LYS	HG3	H	1.791	0.004	2
256	1	22	LYS	HD2	H	1.799	0.003	1
257	1	22	LYS	HE2	H	3.042	0.003	1
258	1	22	LYS	C	C	178.433	0.015	1
259	1	22	LYS	CA	C	59.127	0.037	1
260	1	22	LYS	CB	C	32.581	0.019	1
261	1	22	LYS	CG	C	25.699	0.057	1
262	1	22	LYS	CD	C	29.267	0.046	1
263	1	22	LYS	CE	C	42.069	0.033	1
264	1	22	LYS	N	N	114.835	0.013	1
265	1	23	ARG	H	H	7.620	0.001	1
266	1	23	ARG	HA	H	3.845	0.002	1
267	1	23	ARG	HB2	H	1.773	0.003	1
268	1	23	ARG	HG2	H	1.343	0.003	2
269	1	23	ARG	HG3	H	0.821	0.004	2
270	1	23	ARG	HD2	H	2.937	0.002	1
271	1	23	ARG	C	C	177.659	0.039	1
272	1	23	ARG	CA	C	58.535	0.052	1
273	1	23	ARG	CB	C	29.907	0.078	1
274	1	23	ARG	CG	C	26.616	0.060	1
275	1	23	ARG	CD	C	43.734	0.041	1
276	1	23	ARG	N	N	118.180	0.004	1
277	1	24	TYR	H	H	7.563	0.001	1
278	1	24	TYR	HA	H	4.315	0.003	1
279	1	24	TYR	HB2	H	2.259	0.007	2
280	1	24	TYR	HB3	H	3.236	0.002	2
281	1	24	TYR	HD1	H	7.260	0.004	1
282	1	24	TYR	HD2	H	7.260	0.004	1
283	1	24	TYR	HE1	H	6.747	0.002	1
284	1	24	TYR	HE2	H	6.747	0.002	1
285	1	24	TYR	C	C	176.117	0.029	1
286	1	24	TYR	CA	C	60.581	0.037	1
287	1	24	TYR	CB	C	38.075	0.024	1
288	1	24	TYR	CD1	C	132.980	0.050	1
289	1	24	TYR	CD2	C	132.980	0.050	1
290	1	24	TYR	CE1	C	117.467	0.042	1
291	1	24	TYR	CE2	C	117.467	0.042	1
292	1	24	TYR	N	N	114.554	0.028	1
293	1	25	ASP	H	H	7.851	0.000	1
294	1	25	ASP	HA	H	4.644	0.007	1
295	1	25	ASP	HB2	H	1.832	0.004	2
296	1	25	ASP	HB3	H	2.692	0.008	2
297	1	25	ASP	C	C	177.965	0.057	1
298	1	25	ASP	CA	C	52.412	0.014	1
299	1	25	ASP	CB	C	37.977	0.067	1
300	1	25	ASP	N	N	121.812	0.002	1
301	1	26	LYS	H	H	7.928	0.005	1
302	1	26	LYS	HA	H	3.958	0.003	1
303	1	26	LYS	HB2	H	1.937	0.003	1
304	1	26	LYS	HG2	H	1.580	0.015	2
305	1	26	LYS	HG3	H	1.547	0.003	2
306	1	26	LYS	HD2	H	1.776	0.007	1
307	1	26	LYS	HE2	H	3.056	0.003	1
308	1	26	LYS	C	C	177.339	0.066	1
309	1	26	LYS	CA	C	59.152	0.059	1
310	1	26	LYS	CB	C	32.800	0.088	1
311	1	26	LYS	CG	C	24.990	0.042	1
312	1	26	LYS	CD	C	28.952	0.002	1
313	1	26	LYS	CE	C	41.904	0.000	1
314	1	26	LYS	N	N	125.324	0.019	1
315	1	27	ASP	H	H	7.993	0.002	1
316	1	27	ASP	HA	H	4.669	0.003	1
317	1	27	ASP	HB2	H	2.722	0.002	2
318	1	27	ASP	HB3	H	3.135	0.002	2
319	1	27	ASP	C	C	177.467	0.009	1
320	1	27	ASP	CA	C	52.428	0.063	1
321	1	27	ASP	CB	C	39.737	0.021	1
322	1	27	ASP	N	N	114.349	0.029	1
323	1	28	GLY	H	H	8.158	0.000	1
324	1	28	GLY	HA2	H	3.882	0.013	2
325	1	28	GLY	HA3	H	3.781	0.011	2
326	1	28	GLY	C	C	175.330	0.000	1
327	1	28	GLY	CA	C	46.726	0.050	1
328	1	28	GLY	N	N	109.359	0.001	1
329	1	29	SER	H	H	8.296	0.001	1
330	1	29	SER	HA	H	4.284	0.001	1
331	1	29	SER	HB2	H	4.249	0.003	2
332	1	29	SER	HB3	H	3.898	0.004	2
333	1	29	SER	C	C	175.670	0.097	1
334	1	29	SER	CA	C	59.580	0.040	1
335	1	29	SER	CB	C	64.722	0.016	1
336	1	29	SER	N	N	116.120	0.003	1
337	1	30	GLY	H	H	11.167	0.000	1
338	1	30	GLY	HA2	H	3.704	0.012	2
339	1	30	GLY	HA3	H	4.449	0.010	2
340	1	30	GLY	C	C	173.029	0.000	1
341	1	30	GLY	CA	C	45.074	0.059	1
342	1	30	GLY	N	N	116.509	0.002	1
343	1	31	GLN	H	H	7.728	0.001	1
344	1	31	GLN	HA	H	5.104	0.004	1
345	1	31	GLN	HB2	H	1.847	0.001	1
346	1	31	GLN	HG2	H	2.347	0.007	2
347	1	31	GLN	HG3	H	2.158	0.009	2
348	1	31	GLN	HE21	H	7.457	0.001	1
349	1	31	GLN	HE22	H	6.647	0.001	1
350	1	31	GLN	C	C	175.198	0.000	1
351	1	31	GLN	CA	C	53.206	0.037	1
352	1	31	GLN	CB	C	31.741	0.002	1
353	1	31	GLN	CG	C	32.507	0.054	1
354	1	31	GLN	N	N	114.827	0.000	1
355	1	31	GLN	NE2	N	109.828	0.001	1
356	1	32	LEU	H	H	10.054	0.006	1
357	1	32	LEU	HA	H	5.304	0.005	1
358	1	32	LEU	HB2	H	1.187	0.006	2
359	1	32	LEU	HB3	H	1.826	0.010	2
360	1	32	LEU	HG	H	1.319	0.007	1
361	1	32	LEU	HD11	H	0.104	0.004	2
362	1	32	LEU	HD12	H	0.104	0.004	2
363	1	32	LEU	HD13	H	0.104	0.004	2
364	1	32	LEU	HD21	H	0.413	0.002	2
365	1	32	LEU	HD22	H	0.413	0.002	2
366	1	32	LEU	HD23	H	0.413	0.002	2
367	1	32	LEU	C	C	176.781	0.034	1
368	1	32	LEU	CA	C	53.269	0.028	1
369	1	32	LEU	CB	C	42.834	0.029	1
370	1	32	LEU	CG	C	26.012	0.048	1
371	1	32	LEU	CD1	C	22.194	0.038	2
372	1	32	LEU	CD2	C	26.542	0.074	2
373	1	32	LEU	N	N	127.371	0.003	1
374	1	33	GLN	H	H	8.470	0.001	1
375	1	33	GLN	HA	H	4.898	0.004	1
376	1	33	GLN	HB2	H	2.303	0.003	2
377	1	33	GLN	HB3	H	2.068	0.002	2
378	1	33	GLN	HG2	H	2.434	0.004	2
379	1	33	GLN	HG3	H	2.292	0.003	2
380	1	33	GLN	HE21	H	7.685	0.000	1
381	1	33	GLN	HE22	H	6.969	0.000	1
382	1	33	GLN	C	C	176.355	0.055	1
383	1	33	GLN	CA	C	54.211	0.024	1
384	1	33	GLN	CB	C	31.748	0.062	1
385	1	33	GLN	CG	C	34.598	0.052	1
386	1	33	GLN	N	N	121.488	0.001	1
387	1	33	GLN	NE2	N	113.184	0.003	1
388	1	34	ASP	H	H	8.991	0.000	1
389	1	34	ASP	HA	H	4.087	0.003	1
390	1	34	ASP	HB2	H	2.767	0.002	1
391	1	34	ASP	C	C	176.911	0.072	1
392	1	34	ASP	CA	C	58.140	0.024	1
393	1	34	ASP	CB	C	40.398	0.041	1
394	1	34	ASP	N	N	120.185	0.001	1
395	1	35	ASP	H	H	8.828	0.001	1
396	1	35	ASP	HA	H	4.395	0.004	1
397	1	35	ASP	HB2	H	2.747	0.002	1
398	1	35	ASP	C	C	178.248	0.032	1
399	1	35	ASP	CA	C	56.600	0.030	1
400	1	35	ASP	CB	C	39.857	0.043	1
401	1	35	ASP	N	N	119.094	0.012	1
402	1	36	GLU	H	H	7.976	0.000	1
403	1	36	GLU	HA	H	4.356	0.004	1
404	1	36	GLU	HB2	H	2.335	0.008	1
405	1	36	GLU	HG2	H	2.701	0.004	2
406	1	36	GLU	HG3	H	2.437	0.002	2
407	1	36	GLU	C	C	178.523	0.051	1
408	1	36	GLU	CA	C	57.886	0.010	1
409	1	36	GLU	CB	C	30.747	0.060	1
410	1	36	GLU	CG	C	36.785	0.013	1
411	1	36	GLU	N	N	121.134	0.004	1
412	1	37	ILE	H	H	7.684	0.002	1
413	1	37	ILE	HA	H	3.161	0.003	1
414	1	37	ILE	HB	H	1.863	0.003	1
415	1	37	ILE	HG12	H	1.591	0.005	2
416	1	37	ILE	HG13	H	0.816	0.003	2
417	1	37	ILE	HG21	H	0.642	0.004	1
418	1	37	ILE	HG22	H	0.642	0.004	1
419	1	37	ILE	HG23	H	0.642	0.004	1
420	1	37	ILE	HD11	H	1.008	0.003	1
421	1	37	ILE	HD12	H	1.008	0.003	1
422	1	37	ILE	HD13	H	1.008	0.003	1
423	1	37	ILE	C	C	176.710	0.007	1
424	1	37	ILE	CA	C	64.495	0.044	1
425	1	37	ILE	CB	C	38.029	0.037	1
426	1	37	ILE	CG1	C	30.484	0.032	1
427	1	37	ILE	CG2	C	18.927	0.040	1
428	1	37	ILE	CD1	C	14.555	0.050	1
429	1	37	ILE	N	N	118.236	0.020	1
430	1	38	ALA	H	H	7.809	0.001	1
431	1	38	ALA	HA	H	3.586	0.004	1
432	1	38	ALA	HB1	H	1.378	0.003	1
433	1	38	ALA	HB2	H	1.378	0.003	1
434	1	38	ALA	HB3	H	1.378	0.003	1
435	1	38	ALA	C	C	179.539	0.084	1
436	1	38	ALA	CA	C	55.957	0.037	1
437	1	38	ALA	CB	C	17.545	0.053	1
438	1	38	ALA	N	N	120.643	0.014	1
439	1	39	GLY	H	H	7.560	0.003	1
440	1	39	GLY	HA2	H	3.630	0.008	1
441	1	39	GLY	C	C	174.505	0.000	1
442	1	39	GLY	CA	C	47.021	0.035	1
443	1	39	GLY	N	N	103.968	0.001	1
444	1	40	LEU	H	H	6.753	0.002	1
445	1	40	LEU	HA	H	3.015	0.005	1
446	1	40	LEU	HB2	H	0.782	0.009	2
447	1	40	LEU	HB3	H	1.261	0.005	2
448	1	40	LEU	HG	H	1.060	0.006	1
449	1	40	LEU	HD11	H	0.157	0.003	2
450	1	40	LEU	HD12	H	0.157	0.003	2
451	1	40	LEU	HD13	H	0.157	0.003	2
452	1	40	LEU	HD21	H	0.465	0.006	2
453	1	40	LEU	HD22	H	0.465	0.006	2
454	1	40	LEU	HD23	H	0.465	0.006	2
455	1	40	LEU	C	C	180.158	0.047	1
456	1	40	LEU	CA	C	58.130	0.038	1
457	1	40	LEU	CB	C	41.554	0.038	1
458	1	40	LEU	CG	C	26.777	0.023	1
459	1	40	LEU	CD1	C	25.199	0.042	2
460	1	40	LEU	CD2	C	25.378	0.045	2
461	1	40	LEU	N	N	124.305	0.025	1
462	1	41	LEU	H	H	8.420	0.001	1
463	1	41	LEU	HA	H	3.588	0.004	1
464	1	41	LEU	HB2	H	1.139	0.018	2
465	1	41	LEU	HB3	H	1.376	0.005	2
466	1	41	LEU	HG	H	1.168	0.006	1
467	1	41	LEU	HD11	H	0.173	0.010	2
468	1	41	LEU	HD12	H	0.173	0.010	2
469	1	41	LEU	HD13	H	0.173	0.010	2
470	1	41	LEU	HD21	H	0.408	0.004	2
471	1	41	LEU	HD22	H	0.408	0.004	2
472	1	41	LEU	HD23	H	0.408	0.004	2
473	1	41	LEU	C	C	178.133	0.049	1
474	1	41	LEU	CA	C	57.372	0.031	1
475	1	41	LEU	CB	C	41.562	0.079	1
476	1	41	LEU	CG	C	26.218	0.034	1
477	1	41	LEU	CD1	C	21.624	0.041	2
478	1	41	LEU	CD2	C	25.014	0.070	2
479	1	41	LEU	N	N	120.810	0.003	1
480	1	42	LYS	H	H	7.892	0.001	1
481	1	42	LYS	HA	H	3.947	0.005	1
482	1	42	LYS	HB2	H	2.063	0.003	2
483	1	42	LYS	HB3	H	1.828	0.005	2
484	1	42	LYS	HG2	H	1.679	0.003	2
485	1	42	LYS	HG3	H	1.550	0.003	2
486	1	42	LYS	HD2	H	1.777	0.003	1
487	1	42	LYS	HE2	H	3.041	0.006	1
488	1	42	LYS	C	C	178.921	0.080	1
489	1	42	LYS	CA	C	60.505	0.042	1
490	1	42	LYS	CB	C	32.287	0.053	1
491	1	42	LYS	CG	C	24.953	0.044	1
492	1	42	LYS	CD	C	29.102	0.002	1
493	1	42	LYS	CE	C	41.987	0.013	1
494	1	42	LYS	N	N	119.405	0.003	1
495	1	43	ASP	H	H	7.628	0.001	1
496	1	43	ASP	HA	H	4.556	0.002	1
497	1	43	ASP	HB2	H	2.825	0.003	2
498	1	43	ASP	HB3	H	2.771	0.008	2
499	1	43	ASP	C	C	178.531	0.027	1
500	1	43	ASP	CA	C	56.928	0.033	1
501	1	43	ASP	CB	C	40.727	0.021	1
502	1	43	ASP	N	N	119.063	0.003	1
503	1	44	THR	H	H	8.232	0.001	1
504	1	44	THR	HA	H	3.980	0.006	1
505	1	44	THR	HB	H	4.237	0.006	1
506	1	44	THR	HG21	H	1.156	0.003	1
507	1	44	THR	HG22	H	1.156	0.003	1
508	1	44	THR	HG23	H	1.156	0.003	1
509	1	44	THR	C	C	176.582	0.024	1
510	1	44	THR	CA	C	66.536	0.035	1
511	1	44	THR	CB	C	68.827	0.050	1
512	1	44	THR	CG2	C	20.803	0.050	1
513	1	44	THR	N	N	116.197	0.011	1
514	1	45	TYR	H	H	8.420	0.001	1
515	1	45	TYR	HA	H	4.208	0.002	1
516	1	45	TYR	HB2	H	3.052	0.003	1
517	1	45	TYR	HD1	H	6.911	0.002	1
518	1	45	TYR	HD2	H	6.911	0.002	1
519	1	45	TYR	HE1	H	6.442	0.006	1
520	1	45	TYR	HE2	H	6.442	0.006	1
521	1	45	TYR	C	C	178.505	0.004	1
522	1	45	TYR	CA	C	61.101	0.018	1
523	1	45	TYR	CB	C	36.687	0.021	1
524	1	45	TYR	CD1	C	132.174	0.103	1
525	1	45	TYR	CD2	C	132.174	0.103	1
526	1	45	TYR	CE1	C	117.308	0.049	1
527	1	45	TYR	CE2	C	117.308	0.049	1
528	1	45	TYR	N	N	121.480	0.009	1
529	1	46	ALA	H	H	8.033	0.001	1
530	1	46	ALA	HA	H	4.032	0.002	1
531	1	46	ALA	HB1	H	1.625	0.002	1
532	1	46	ALA	HB2	H	1.625	0.002	1
533	1	46	ALA	HB3	H	1.625	0.002	1
534	1	46	ALA	C	C	181.407	0.035	1
535	1	46	ALA	CA	C	55.392	0.017	1
536	1	46	ALA	CB	C	17.836	0.048	1
537	1	46	ALA	N	N	123.254	0.001	1
538	1	47	GLU	H	H	8.044	0.001	1
539	1	47	GLU	HA	H	4.126	0.003	1
540	1	47	GLU	HB2	H	2.187	0.002	1
541	1	47	GLU	HG2	H	2.386	0.001	1
542	1	47	GLU	C	C	177.712	0.047	1
543	1	47	GLU	CA	C	58.342	0.058	1
544	1	47	GLU	CB	C	29.354	0.006	1
545	1	47	GLU	CG	C	36.258	0.040	1
546	1	47	GLU	N	N	119.624	0.001	1
547	1	48	MET	H	H	7.528	0.001	1
548	1	48	MET	HA	H	4.489	0.004	1
549	1	48	MET	HB2	H	2.251	0.010	2
550	1	48	MET	HB3	H	2.116	0.007	2
551	1	48	MET	HG2	H	2.662	0.004	2
552	1	48	MET	HG3	H	2.581	0.002	2
553	1	48	MET	HE1	H	1.872	0.002	1
554	1	48	MET	HE2	H	1.872	0.002	1
555	1	48	MET	HE3	H	1.872	0.002	1
556	1	48	MET	C	C	176.078	0.008	1
557	1	48	MET	CA	C	55.476	0.027	1
558	1	48	MET	CB	C	33.179	0.022	1
559	1	48	MET	CG	C	31.943	0.036	1
560	1	48	MET	CE	C	16.786	0.031	1
561	1	48	MET	N	N	115.918	0.016	1
562	1	49	GLY	H	H	7.864	0.004	1
563	1	49	GLY	HA2	H	4.266	0.011	2
564	1	49	GLY	HA3	H	3.832	0.009	2
565	1	49	GLY	C	C	174.673	0.000	1
566	1	49	GLY	CA	C	45.506	0.028	1
567	1	49	GLY	N	N	106.976	0.000	1
568	1	50	MET	H	H	8.088	0.000	1
569	1	50	MET	HA	H	4.728	0.004	1
570	1	50	MET	HB2	H	2.105	0.001	2
571	1	50	MET	HB3	H	1.932	0.003	2
572	1	50	MET	HG2	H	2.434	0.000	2
573	1	50	MET	HG3	H	2.362	0.006	2
574	1	50	MET	HE1	H	1.824	0.001	1
575	1	50	MET	HE2	H	1.824	0.001	1
576	1	50	MET	HE3	H	1.824	0.001	1
577	1	50	MET	C	C	175.817	0.060	1
578	1	50	MET	CA	C	54.525	0.059	1
579	1	50	MET	CB	C	32.664	0.019	1
580	1	50	MET	CG	C	31.996	0.021	1
581	1	50	MET	CE	C	17.176	0.043	1
582	1	50	MET	N	N	121.040	0.025	1
583	1	51	SER	H	H	8.238	0.001	1
584	1	51	SER	HA	H	4.293	0.002	1
585	1	51	SER	HB2	H	3.899	0.001	1
586	1	51	SER	C	C	174.276	0.102	1
587	1	51	SER	CA	C	59.649	0.045	1
588	1	51	SER	CB	C	63.458	0.033	1
589	1	51	SER	N	N	116.850	0.015	1
590	1	52	ASN	H	H	8.690	0.000	1
591	1	52	ASN	HA	H	4.638	0.003	1
592	1	52	ASN	HB2	H	2.713	0.004	2
593	1	52	ASN	HB3	H	2.844	0.006	2
594	1	52	ASN	HD21	H	7.569	0.001	1
595	1	52	ASN	HD22	H	6.865	0.001	1
596	1	52	ASN	C	C	174.182	0.045	1
597	1	52	ASN	CA	C	53.229	0.016	1
598	1	52	ASN	CB	C	37.873	0.017	1
599	1	52	ASN	N	N	118.778	0.013	1
600	1	52	ASN	ND2	N	113.025	0.001	1
601	1	53	PHE	H	H	7.902	0.001	1
602	1	53	PHE	HA	H	4.555	0.001	1
603	1	53	PHE	HB2	H	2.950	0.005	2
604	1	53	PHE	HB3	H	2.881	0.003	2
605	1	53	PHE	HD1	H	6.874	0.003	1
606	1	53	PHE	HD2	H	6.874	0.003	1
607	1	53	PHE	HE1	H	6.951	0.004	1
608	1	53	PHE	HE2	H	6.951	0.004	1
609	1	53	PHE	HZ	H	7.016	0.001	1
610	1	53	PHE	C	C	174.524	0.009	1
611	1	53	PHE	CA	C	57.583	0.030	1
612	1	53	PHE	CB	C	40.518	0.049	1
613	1	53	PHE	CD1	C	131.511	0.083	1
614	1	53	PHE	CD2	C	131.511	0.083	1
615	1	53	PHE	CE1	C	130.796	0.106	1
616	1	53	PHE	CE2	C	130.796	0.106	1
617	1	53	PHE	CZ	C	129.534	0.032	1
618	1	53	PHE	N	N	121.110	0.012	1
619	1	54	THR	H	H	7.942	0.003	1
620	1	54	THR	HA	H	4.392	0.003	1
621	1	54	THR	HB	H	3.832	0.003	1
622	1	54	THR	HG21	H	1.066	0.003	1
623	1	54	THR	HG22	H	1.066	0.003	1
624	1	54	THR	HG23	H	1.066	0.003	1
625	1	54	THR	C	C	171.451	0.000	1
626	1	54	THR	CA	C	58.659	0.050	1
627	1	54	THR	CB	C	70.111	0.013	1
628	1	54	THR	CG2	C	20.894	0.091	1
629	1	54	THR	N	N	122.640	0.000	1
630	1	55	PRO	HA	H	4.434	0.002	1
631	1	55	PRO	HB2	H	1.839	0.007	2
632	1	55	PRO	HB3	H	2.053	0.010	2
633	1	55	PRO	HG2	H	1.782	0.012	2
634	1	55	PRO	HG3	H	2.045	0.004	2
635	1	55	PRO	HD2	H	3.321	0.001	2
636	1	55	PRO	HD3	H	3.664	0.004	2
637	1	55	PRO	C	C	176.919	0.002	1
638	1	55	PRO	CA	C	62.089	0.012	1
639	1	55	PRO	CB	C	32.123	0.077	1
640	1	55	PRO	CG	C	26.963	0.053	1
641	1	55	PRO	CD	C	50.618	0.015	1
642	1	56	THR	H	H	9.481	0.002	1
643	1	56	THR	HA	H	4.537	0.001	1
644	1	56	THR	HB	H	4.744	0.001	1
645	1	56	THR	HG21	H	1.347	0.003	1
646	1	56	THR	HG22	H	1.347	0.003	1
647	1	56	THR	HG23	H	1.347	0.003	1
648	1	56	THR	C	C	175.739	0.006	1
649	1	56	THR	CA	C	60.143	0.020	1
650	1	56	THR	CB	C	72.161	0.024	1
651	1	56	THR	CG2	C	21.591	0.041	1
652	1	56	THR	N	N	115.441	0.002	1
653	1	57	LYS	H	H	8.818	0.001	1
654	1	57	LYS	HA	H	3.991	0.005	1
655	1	57	LYS	HB2	H	1.921	0.008	2
656	1	57	LYS	HB3	H	1.843	0.009	2
657	1	57	LYS	HG2	H	1.567	0.008	2
658	1	57	LYS	HG3	H	1.504	0.006	2
659	1	57	LYS	HD2	H	1.725	0.006	1
660	1	57	LYS	HE2	H	3.032	0.005	1
661	1	57	LYS	C	C	179.179	0.032	1
662	1	57	LYS	CA	C	59.576	0.041	1
663	1	57	LYS	CB	C	31.878	0.036	1
664	1	57	LYS	CG	C	24.987	0.022	1
665	1	57	LYS	CD	C	29.047	0.033	1
666	1	57	LYS	CE	C	41.862	0.022	1
667	1	57	LYS	N	N	119.755	0.007	1
668	1	58	GLU	H	H	8.233	0.001	1
669	1	58	GLU	HA	H	4.079	0.003	1
670	1	58	GLU	HB2	H	1.966	0.008	2
671	1	58	GLU	HB3	H	2.035	0.005	2
672	1	58	GLU	HG2	H	2.393	0.005	2
673	1	58	GLU	HG3	H	2.292	0.006	2
674	1	58	GLU	C	C	178.023	0.040	1
675	1	58	GLU	CA	C	59.803	0.008	1
676	1	58	GLU	CB	C	28.990	0.063	1
677	1	58	GLU	CG	C	36.689	0.028	1
678	1	58	GLU	N	N	119.612	0.003	1
679	1	59	ASP	H	H	7.716	0.001	1
680	1	59	ASP	HA	H	4.437	0.002	1
681	1	59	ASP	HB2	H	2.990	0.002	2
682	1	59	ASP	HB3	H	2.699	0.001	2
683	1	59	ASP	C	C	179.324	0.054	1
684	1	59	ASP	CA	C	57.856	0.027	1
685	1	59	ASP	CB	C	41.124	0.076	1
686	1	59	ASP	N	N	119.813	0.002	1
687	1	60	VAL	H	H	7.805	0.000	1
688	1	60	VAL	HA	H	3.496	0.004	1
689	1	60	VAL	HB	H	2.229	0.002	1
690	1	60	VAL	HG11	H	1.020	0.003	2
691	1	60	VAL	HG12	H	1.020	0.003	2
692	1	60	VAL	HG13	H	1.020	0.003	2
693	1	60	VAL	HG21	H	0.918	0.003	2
694	1	60	VAL	HG22	H	0.918	0.003	2
695	1	60	VAL	HG23	H	0.918	0.003	2
696	1	60	VAL	C	C	176.530	0.048	1
697	1	60	VAL	CA	C	66.859	0.039	1
698	1	60	VAL	CB	C	31.699	0.001	1
699	1	60	VAL	CG1	C	20.902	0.032	2
700	1	60	VAL	CG2	C	22.456	0.029	2
701	1	60	VAL	N	N	119.981	0.013	1
702	1	61	LYS	H	H	7.903	0.000	1
703	1	61	LYS	HA	H	4.060	0.006	1
704	1	61	LYS	HB2	H	2.000	0.006	1
705	1	61	LYS	HG2	H	1.613	0.002	2
706	1	61	LYS	HG3	H	1.469	0.001	2
707	1	61	LYS	HD2	H	1.724	0.005	1
708	1	61	LYS	HE2	H	2.965	0.002	1
709	1	61	LYS	C	C	179.214	0.034	1
710	1	61	LYS	CA	C	59.676	0.026	1
711	1	61	LYS	CB	C	32.344	0.083	1
712	1	61	LYS	CG	C	24.848	0.035	1
713	1	61	LYS	CD	C	29.009	0.067	1
714	1	61	LYS	CE	C	41.814	0.009	1
715	1	61	LYS	N	N	119.336	0.003	1
716	1	62	ILE	H	H	8.268	0.001	1
717	1	62	ILE	HA	H	3.806	0.005	1
718	1	62	ILE	HB	H	2.032	0.007	1
719	1	62	ILE	HG12	H	1.768	0.007	2
720	1	62	ILE	HG13	H	1.290	0.006	2
721	1	62	ILE	HG21	H	1.005	0.007	1
722	1	62	ILE	HG22	H	1.005	0.007	1
723	1	62	ILE	HG23	H	1.005	0.007	1
724	1	62	ILE	HD11	H	0.908	0.004	1
725	1	62	ILE	HD12	H	0.908	0.004	1
726	1	62	ILE	HD13	H	0.908	0.004	1
727	1	62	ILE	C	C	178.150	0.042	1
728	1	62	ILE	CA	C	64.486	0.051	1
729	1	62	ILE	CB	C	38.092	0.033	1
730	1	62	ILE	CG1	C	29.440	0.064	1
731	1	62	ILE	CG2	C	17.236	0.026	1
732	1	62	ILE	CD1	C	12.899	0.021	1
733	1	62	ILE	N	N	119.738	0.001	1
734	1	63	TRP	H	H	7.939	0.004	1
735	1	63	TRP	HA	H	4.163	0.005	1
736	1	63	TRP	HB2	H	3.398	0.009	2
737	1	63	TRP	HB3	H	3.320	0.006	2
738	1	63	TRP	HD1	H	7.311	0.003	1
739	1	63	TRP	HE1	H	10.160	0.001	1
740	1	63	TRP	HE3	H	7.245	0.005	1
741	1	63	TRP	HZ2	H	7.351	0.003	1
742	1	63	TRP	HZ3	H	6.696	0.004	1
743	1	63	TRP	HH2	H	6.707	0.004	1
744	1	63	TRP	C	C	178.647	0.060	1
745	1	63	TRP	CA	C	62.931	0.020	1
746	1	63	TRP	CB	C	29.695	0.040	1
747	1	63	TRP	CD1	C	127.875	0.022	1
748	1	63	TRP	CE3	C	120.066	0.092	1
749	1	63	TRP	CZ2	C	114.164	0.028	1
750	1	63	TRP	CZ3	C	120.742	0.090	1
751	1	63	TRP	CH2	C	122.363	0.033	1
752	1	63	TRP	N	N	122.875	0.007	1
753	1	63	TRP	NE1	N	128.968	0.004	1
754	1	64	LEU	H	H	9.029	0.001	1
755	1	64	LEU	HA	H	3.838	0.004	1
756	1	64	LEU	HB2	H	2.037	0.001	2
757	1	64	LEU	HB3	H	1.881	0.002	2
758	1	64	LEU	HG	H	1.735	0.003	1
759	1	64	LEU	HD11	H	0.933	0.005	2
760	1	64	LEU	HD12	H	0.933	0.005	2
761	1	64	LEU	HD13	H	0.933	0.005	2
762	1	64	LEU	HD21	H	0.903	0.003	2
763	1	64	LEU	HD22	H	0.903	0.003	2
764	1	64	LEU	HD23	H	0.903	0.003	2
765	1	64	LEU	C	C	178.184	0.070	1
766	1	64	LEU	CA	C	59.250	0.079	1
767	1	64	LEU	CB	C	42.386	0.038	1
768	1	64	LEU	CG	C	27.708	0.044	1
769	1	64	LEU	CD1	C	25.262	0.014	2
770	1	64	LEU	CD2	C	24.951	0.000	2
771	1	64	LEU	N	N	119.076	0.006	1
772	1	65	GLN	H	H	8.244	0.000	1
773	1	65	GLN	HA	H	3.986	0.005	1
774	1	65	GLN	HB2	H	2.233	0.003	2
775	1	65	GLN	HB3	H	2.119	0.003	2
776	1	65	GLN	HG2	H	2.423	0.004	2
777	1	65	GLN	HG3	H	2.615	0.002	2
778	1	65	GLN	HE21	H	7.451	0.001	1
779	1	65	GLN	HE22	H	6.803	0.000	1
780	1	65	GLN	C	C	178.243	0.035	1
781	1	65	GLN	CA	C	58.607	0.024	1
782	1	65	GLN	CB	C	28.159	0.061	1
783	1	65	GLN	CG	C	34.385	0.040	1
784	1	65	GLN	N	N	115.899	0.005	1
785	1	65	GLN	NE2	N	110.942	0.002	1
786	1	66	MET	H	H	7.504	0.001	1
787	1	66	MET	HA	H	4.119	0.008	1
788	1	66	MET	HB2	H	2.014	0.005	2
789	1	66	MET	HB3	H	1.955	0.005	2
790	1	66	MET	HG2	H	2.419	0.004	2
791	1	66	MET	HG3	H	2.566	0.002	2
792	1	66	MET	HE1	H	1.960	0.002	1
793	1	66	MET	HE2	H	1.960	0.002	1
794	1	66	MET	HE3	H	1.960	0.002	1
795	1	66	MET	C	C	176.960	0.004	1
796	1	66	MET	CA	C	57.370	0.069	1
797	1	66	MET	CB	C	32.652	0.095	1
798	1	66	MET	CG	C	31.398	0.067	1
799	1	66	MET	CE	C	16.594	0.026	1
800	1	66	MET	N	N	116.437	0.006	1
801	1	67	ALA	H	H	7.783	0.002	1
802	1	67	ALA	HA	H	4.059	0.006	1
803	1	67	ALA	HB1	H	0.626	0.005	1
804	1	67	ALA	HB2	H	0.626	0.005	1
805	1	67	ALA	HB3	H	0.626	0.005	1
806	1	67	ALA	C	C	178.706	0.000	1
807	1	67	ALA	CA	C	52.846	0.037	1
808	1	67	ALA	CB	C	20.689	0.035	1
809	1	67	ALA	N	N	119.734	0.014	1
810	1	68	ASP	H	H	8.486	0.000	1
811	1	68	ASP	HA	H	4.708	0.004	1
812	1	68	ASP	HB2	H	2.379	0.003	2
813	1	68	ASP	HB3	H	2.982	0.004	2
814	1	68	ASP	C	C	177.478	0.020	1
815	1	68	ASP	CA	C	53.080	0.037	1
816	1	68	ASP	CB	C	39.563	0.073	1
817	1	68	ASP	N	N	116.274	0.005	1
818	1	69	THR	H	H	8.356	0.001	1
819	1	69	THR	HA	H	4.024	0.003	1
820	1	69	THR	HB	H	4.284	0.002	1
821	1	69	THR	HG21	H	1.266	0.001	1
822	1	69	THR	HG22	H	1.266	0.001	1
823	1	69	THR	HG23	H	1.266	0.001	1
824	1	69	THR	C	C	176.152	0.011	1
825	1	69	THR	CA	C	64.585	0.046	1
826	1	69	THR	CB	C	68.761	0.019	1
827	1	69	THR	CG2	C	22.469	0.026	1
828	1	69	THR	N	N	120.827	0.030	1
829	1	70	ASN	H	H	8.151	0.001	1
830	1	70	ASN	HA	H	4.914	0.001	1
831	1	70	ASN	HB2	H	3.305	0.003	2
832	1	70	ASN	HB3	H	2.897	0.005	2
833	1	70	ASN	HD21	H	7.934	0.001	1
834	1	70	ASN	HD22	H	6.559	0.001	1
835	1	70	ASN	C	C	174.685	0.016	1
836	1	70	ASN	CA	C	51.614	0.003	1
837	1	70	ASN	CB	C	36.913	0.025	1
838	1	70	ASN	N	N	116.782	0.005	1
839	1	70	ASN	ND2	N	112.243	0.002	1
840	1	71	SER	H	H	7.757	0.001	1
841	1	71	SER	HA	H	4.072	0.001	1
842	1	71	SER	HB2	H	4.118	0.001	2
843	1	71	SER	HB3	H	3.857	0.001	2
844	1	71	SER	C	C	174.092	0.004	1
845	1	71	SER	CA	C	59.159	0.014	1
846	1	71	SER	CB	C	61.561	0.012	1
847	1	71	SER	N	N	112.577	0.006	1
848	1	72	ASP	H	H	8.505	0.001	1
849	1	72	ASP	HA	H	4.738	0.001	1
850	1	72	ASP	HB2	H	2.412	0.002	2
851	1	72	ASP	HB3	H	3.125	0.003	2
852	1	72	ASP	C	C	178.508	0.012	1
853	1	72	ASP	CA	C	52.600	0.001	1
854	1	72	ASP	CB	C	40.690	0.055	1
855	1	72	ASP	N	N	118.670	0.008	1
856	1	73	GLY	H	H	10.609	0.001	1
857	1	73	GLY	HA2	H	4.301	0.003	2
858	1	73	GLY	HA3	H	3.528	0.002	2
859	1	73	GLY	C	C	173.025	0.000	1
860	1	73	GLY	CA	C	45.596	0.026	1
861	1	73	GLY	N	N	114.058	0.005	1
862	1	74	SER	H	H	8.101	0.002	1
863	1	74	SER	HA	H	5.064	0.005	1
864	1	74	SER	HB2	H	3.660	0.005	2
865	1	74	SER	HB3	H	3.582	0.003	2
866	1	74	SER	C	C	173.301	0.028	1
867	1	74	SER	CA	C	56.926	0.058	1
868	1	74	SER	CB	C	66.513	0.021	1
869	1	74	SER	N	N	113.432	0.019	1
870	1	75	VAL	H	H	9.080	0.004	1
871	1	75	VAL	HA	H	5.302	0.005	1
872	1	75	VAL	HB	H	2.203	0.005	1
873	1	75	VAL	HG11	H	1.284	0.006	2
874	1	75	VAL	HG12	H	1.284	0.006	2
875	1	75	VAL	HG13	H	1.284	0.006	2
876	1	75	VAL	HG21	H	1.045	0.005	2
877	1	75	VAL	HG22	H	1.045	0.005	2
878	1	75	VAL	HG23	H	1.045	0.005	2
879	1	75	VAL	C	C	175.336	0.005	1
880	1	75	VAL	CA	C	61.367	0.064	1
881	1	75	VAL	CB	C	34.311	0.010	1
882	1	75	VAL	CG1	C	21.169	0.024	2
883	1	75	VAL	CG2	C	23.187	0.028	2
884	1	75	VAL	N	N	125.431	0.018	1
885	1	76	SER	H	H	9.617	0.005	1
886	1	76	SER	HA	H	5.012	0.008	1
887	1	76	SER	HB2	H	4.478	0.003	2
888	1	76	SER	HB3	H	4.136	0.004	2
889	1	76	SER	C	C	174.512	0.083	1
890	1	76	SER	CA	C	56.818	0.051	1
891	1	76	SER	CB	C	65.824	0.030	1
892	1	76	SER	N	N	126.668	0.003	1
893	1	77	LEU	H	H	8.361	0.004	1
894	1	77	LEU	HA	H	3.337	0.004	1
895	1	77	LEU	HB2	H	1.466	0.002	2
896	1	77	LEU	HB3	H	0.487	0.003	2
897	1	77	LEU	HG	H	1.392	0.007	1
898	1	77	LEU	HD11	H	0.685	0.006	2
899	1	77	LEU	HD12	H	0.685	0.006	2
900	1	77	LEU	HD13	H	0.685	0.006	2
901	1	77	LEU	HD21	H	0.800	0.003	2
902	1	77	LEU	HD22	H	0.800	0.003	2
903	1	77	LEU	HD23	H	0.800	0.003	2
904	1	77	LEU	C	C	178.115	0.037	1
905	1	77	LEU	CA	C	58.483	0.023	1
906	1	77	LEU	CB	C	40.100	0.021	1
907	1	77	LEU	CG	C	26.475	0.057	1
908	1	77	LEU	CD1	C	22.632	0.074	2
909	1	77	LEU	CD2	C	25.899	0.014	2
910	1	77	LEU	N	N	122.937	0.004	1
911	1	78	GLU	H	H	8.448	0.001	1
912	1	78	GLU	HA	H	4.019	0.004	1
913	1	78	GLU	HB2	H	2.010	0.004	1
914	1	78	GLU	HG2	H	2.318	0.008	1
915	1	78	GLU	C	C	179.330	0.049	1
916	1	78	GLU	CA	C	60.091	0.016	1
917	1	78	GLU	CB	C	28.994	0.006	1
918	1	78	GLU	CG	C	36.869	0.000	1
919	1	78	GLU	N	N	117.848	0.012	1
920	1	79	GLU	H	H	7.820	0.001	1
921	1	79	GLU	HA	H	4.182	0.002	1
922	1	79	GLU	HB2	H	2.625	0.014	2
923	1	79	GLU	HB3	H	2.392	0.006	2
924	1	79	GLU	HG2	H	2.645	0.003	2
925	1	79	GLU	HG3	H	2.538	0.006	2
926	1	79	GLU	C	C	180.238	0.013	1
927	1	79	GLU	CA	C	58.560	0.064	1
928	1	79	GLU	CB	C	29.309	0.027	1
929	1	79	GLU	CG	C	37.160	0.032	1
930	1	79	GLU	N	N	119.296	0.006	1
931	1	80	TYR	H	H	8.702	0.004	1
932	1	80	TYR	HA	H	4.481	0.010	1
933	1	80	TYR	HB2	H	3.327	0.006	1
934	1	80	TYR	HD1	H	7.217	0.010	1
935	1	80	TYR	HD2	H	7.217	0.010	1
936	1	80	TYR	HE1	H	7.222	0.005	1
937	1	80	TYR	HE2	H	7.222	0.005	1
938	1	80	TYR	C	C	176.828	0.005	1
939	1	80	TYR	CA	C	60.277	0.053	1
940	1	80	TYR	CB	C	38.763	0.025	1
941	1	80	TYR	CD1	C	131.997	0.037	1
942	1	80	TYR	CD2	C	131.997	0.037	1
943	1	80	TYR	CE1	C	118.688	0.041	1
944	1	80	TYR	CE2	C	118.688	0.041	1
945	1	80	TYR	N	N	123.746	0.020	1
946	1	81	GLU	H	H	9.139	0.002	1
947	1	81	GLU	HA	H	3.384	0.006	1
948	1	81	GLU	HB2	H	1.900	0.004	2
949	1	81	GLU	HB3	H	2.186	0.009	2
950	1	81	GLU	HG2	H	2.675	0.002	2
951	1	81	GLU	HG3	H	1.813	0.006	2
952	1	81	GLU	C	C	178.376	0.037	1
953	1	81	GLU	CA	C	60.583	0.052	1
954	1	81	GLU	CB	C	29.735	0.045	1
955	1	81	GLU	CG	C	37.237	0.023	1
956	1	81	GLU	N	N	118.092	0.002	1
957	1	82	ASP	H	H	8.038	0.001	1
958	1	82	ASP	HA	H	4.336	0.003	1
959	1	82	ASP	HB2	H	2.807	0.002	2
960	1	82	ASP	HB3	H	2.591	0.004	2
961	1	82	ASP	C	C	178.279	0.011	1
962	1	82	ASP	CA	C	57.376	0.039	1
963	1	82	ASP	CB	C	41.062	0.024	1
964	1	82	ASP	N	N	116.914	0.004	1
965	1	83	LEU	H	H	7.694	0.001	1
966	1	83	LEU	HA	H	4.033	0.006	1
967	1	83	LEU	HB2	H	2.127	0.003	2
968	1	83	LEU	HB3	H	1.638	0.003	2
969	1	83	LEU	HG	H	1.604	0.006	1
970	1	83	LEU	HD11	H	0.698	0.003	2
971	1	83	LEU	HD12	H	0.698	0.003	2
972	1	83	LEU	HD13	H	0.698	0.003	2
973	1	83	LEU	HD21	H	0.770	0.004	2
974	1	83	LEU	HD22	H	0.770	0.004	2
975	1	83	LEU	HD23	H	0.770	0.004	2
976	1	83	LEU	C	C	179.873	0.003	1
977	1	83	LEU	CA	C	58.221	0.108	1
978	1	83	LEU	CB	C	41.735	0.053	1
979	1	83	LEU	CG	C	26.572	0.032	1
980	1	83	LEU	CD1	C	24.564	0.071	2
981	1	83	LEU	CD2	C	25.985	0.039	2
982	1	83	LEU	N	N	120.922	0.004	1
983	1	84	ILE	H	H	8.058	0.000	1
984	1	84	ILE	HA	H	3.611	0.004	1
985	1	84	ILE	HB	H	2.061	0.003	1
986	1	84	ILE	HG12	H	1.250	0.006	2
987	1	84	ILE	HG13	H	0.850	0.005	2
988	1	84	ILE	HG21	H	0.629	0.004	1
989	1	84	ILE	HG22	H	0.629	0.004	1
990	1	84	ILE	HG23	H	0.629	0.004	1
991	1	84	ILE	HD11	H	0.473	0.003	1
992	1	84	ILE	HD12	H	0.473	0.003	1
993	1	84	ILE	HD13	H	0.473	0.003	1
994	1	84	ILE	C	C	179.043	0.040	1
995	1	84	ILE	CA	C	62.667	0.041	1
996	1	84	ILE	CB	C	35.277	0.026	1
997	1	84	ILE	CG1	C	26.992	0.048	1
998	1	84	ILE	CG2	C	16.974	0.044	1
999	1	84	ILE	CD1	C	9.415	0.034	1
1000	1	84	ILE	N	N	122.040	0.016	1
1001	1	85	ILE	H	H	8.461	0.001	1
1002	1	85	ILE	HA	H	3.413	0.002	1
1003	1	85	ILE	HB	H	2.033	0.004	1
1004	1	85	ILE	HG12	H	1.468	0.003	2
1005	1	85	ILE	HG13	H	0.968	0.003	2
1006	1	85	ILE	HG21	H	0.749	0.005	1
1007	1	85	ILE	HG22	H	0.749	0.005	1
1008	1	85	ILE	HG23	H	0.749	0.005	1
1009	1	85	ILE	HD11	H	0.349	0.003	1
1010	1	85	ILE	HD12	H	0.349	0.003	1
1011	1	85	ILE	HD13	H	0.349	0.003	1
1012	1	85	ILE	C	C	178.261	0.021	1
1013	1	85	ILE	CA	C	64.748	0.022	1
1014	1	85	ILE	CB	C	36.657	0.024	1
1015	1	85	ILE	CG1	C	28.445	0.040	1
1016	1	85	ILE	CG2	C	17.240	0.061	1
1017	1	85	ILE	CD1	C	11.607	0.032	1
1018	1	85	ILE	N	N	121.494	0.011	1
1019	1	86	LYS	H	H	8.350	0.001	1
1020	1	86	LYS	HA	H	4.163	0.007	1
1021	1	86	LYS	HB2	H	1.944	0.003	2
1022	1	86	LYS	HB3	H	1.807	0.004	2
1023	1	86	LYS	HG2	H	1.638	0.008	2
1024	1	86	LYS	HG3	H	1.479	0.004	2
1025	1	86	LYS	HD2	H	1.662	0.009	1
1026	1	86	LYS	HE2	H	2.946	0.005	1
1027	1	86	LYS	C	C	179.920	0.010	1
1028	1	86	LYS	CA	C	59.542	0.066	1
1029	1	86	LYS	CB	C	32.315	0.058	1
1030	1	86	LYS	CG	C	26.096	0.052	1
1031	1	86	LYS	CD	C	29.002	0.020	1
1032	1	86	LYS	CE	C	41.970	0.013	1
1033	1	86	LYS	N	N	119.357	0.005	1
1034	1	87	SER	H	H	8.123	0.001	1
1035	1	87	SER	HA	H	4.211	0.005	1
1036	1	87	SER	HB2	H	4.065	0.005	2
1037	1	87	SER	HB3	H	3.962	0.007	2
1038	1	87	SER	C	C	176.727	0.000	1
1039	1	87	SER	CA	C	61.849	0.056	1
1040	1	87	SER	CB	C	62.625	0.052	1
1041	1	87	SER	N	N	116.288	0.003	1
1042	1	88	LEU	H	H	8.139	0.001	1
1043	1	88	LEU	HA	H	4.075	0.007	1
1044	1	88	LEU	HB2	H	1.969	0.002	2
1045	1	88	LEU	HB3	H	1.184	0.004	2
1046	1	88	LEU	HG	H	1.958	0.003	1
1047	1	88	LEU	HD11	H	0.772	0.005	2
1048	1	88	LEU	HD12	H	0.772	0.005	2
1049	1	88	LEU	HD13	H	0.772	0.005	2
1050	1	88	LEU	HD21	H	0.741	0.007	2
1051	1	88	LEU	HD22	H	0.741	0.007	2
1052	1	88	LEU	HD23	H	0.741	0.007	2
1053	1	88	LEU	C	C	178.801	0.051	1
1054	1	88	LEU	CA	C	57.645	0.004	1
1055	1	88	LEU	CB	C	40.849	0.015	1
1056	1	88	LEU	CG	C	26.239	0.041	1
1057	1	88	LEU	CD1	C	22.644	0.011	2
1058	1	88	LEU	CD2	C	26.958	0.051	2
1059	1	88	LEU	N	N	124.446	0.020	1
1060	1	89	GLN	H	H	8.293	0.001	1
1061	1	89	GLN	HA	H	4.244	0.001	1
1062	1	89	GLN	HB2	H	2.058	0.002	2
1063	1	89	GLN	HB3	H	2.283	0.001	2
1064	1	89	GLN	HG2	H	2.605	0.001	2
1065	1	89	GLN	HG3	H	2.378	0.002	2
1066	1	89	GLN	HE21	H	7.414	0.000	1
1067	1	89	GLN	HE22	H	6.811	0.000	1
1068	1	89	GLN	C	C	180.584	0.021	1
1069	1	89	GLN	CA	C	58.824	0.015	1
1070	1	89	GLN	CB	C	28.702	0.049	1
1071	1	89	GLN	CG	C	34.786	0.053	1
1072	1	89	GLN	N	N	118.754	0.016	1
1073	1	89	GLN	NE2	N	111.363	0.004	1
1074	1	90	LYS	H	H	8.159	0.001	1
1075	1	90	LYS	HA	H	4.114	0.001	1
1076	1	90	LYS	HB2	H	1.942	0.003	1
1077	1	90	LYS	HG2	H	1.522	0.004	1
1078	1	90	LYS	HD2	H	1.700	0.006	1
1079	1	90	LYS	HE2	H	2.946	0.000	1
1080	1	90	LYS	C	C	177.085	0.000	1
1081	1	90	LYS	CA	C	58.197	0.015	1
1082	1	90	LYS	CB	C	32.199	0.084	1
1083	1	90	LYS	CE	C	41.695	0.000	1
1084	1	90	LYS	N	N	120.960	0.008	1
1085	1	91	ALA	H	H	7.515	0.007	1
1086	1	91	ALA	HA	H	4.376	0.006	1
1087	1	91	ALA	HB1	H	1.524	0.004	1
1088	1	91	ALA	HB2	H	1.524	0.004	1
1089	1	91	ALA	HB3	H	1.524	0.004	1
1090	1	91	ALA	C	C	177.304	0.049	1
1091	1	91	ALA	CA	C	52.071	0.035	1
1092	1	91	ALA	CB	C	18.618	0.047	1
1093	1	91	ALA	N	N	120.415	0.030	1
1094	1	92	GLY	H	H	7.872	0.002	1
1095	1	92	GLY	HA2	H	3.724	0.003	2
1096	1	92	GLY	HA3	H	4.168	0.009	2
1097	1	92	GLY	C	C	174.098	0.000	1
1098	1	92	GLY	CA	C	45.289	0.008	1
1099	1	92	GLY	N	N	106.362	0.000	1
1100	1	93	ILE	H	H	7.736	0.004	1
1101	1	93	ILE	HA	H	3.964	0.006	1
1102	1	93	ILE	HB	H	1.657	0.006	1
1103	1	93	ILE	HG12	H	1.206	0.002	2
1104	1	93	ILE	HG13	H	1.275	0.001	2
1105	1	93	ILE	HG21	H	0.731	0.007	1
1106	1	93	ILE	HG22	H	0.731	0.007	1
1107	1	93	ILE	HG23	H	0.731	0.007	1
1108	1	93	ILE	HD11	H	0.708	0.006	1
1109	1	93	ILE	HD12	H	0.708	0.006	1
1110	1	93	ILE	HD13	H	0.708	0.006	1
1111	1	93	ILE	C	C	175.406	0.033	1
1112	1	93	ILE	CA	C	59.739	0.052	1
1113	1	93	ILE	CB	C	37.391	0.019	1
1114	1	93	ILE	CG1	C	27.948	0.005	1
1115	1	93	ILE	CG2	C	17.119	0.057	1
1116	1	93	ILE	CD1	C	11.932	0.032	1
1117	1	93	ILE	N	N	122.351	0.020	1
1118	1	94	ARG	H	H	8.396	0.001	1
1119	1	94	ARG	HA	H	4.250	0.002	1
1120	1	94	ARG	HB2	H	1.798	0.009	2
1121	1	94	ARG	HB3	H	1.845	0.003	2
1122	1	94	ARG	HG2	H	1.669	0.004	2
1123	1	94	ARG	HG3	H	1.477	0.005	2
1124	1	94	ARG	HD2	H	3.257	0.002	2
1125	1	94	ARG	HD3	H	3.197	0.006	2
1126	1	94	ARG	C	C	175.473	0.078	1
1127	1	94	ARG	CA	C	56.364	0.057	1
1128	1	94	ARG	CB	C	30.103	0.007	1
1129	1	94	ARG	CG	C	27.316	0.025	1
1130	1	94	ARG	CD	C	43.160	0.000	1
1131	1	94	ARG	N	N	127.385	0.004	1
1132	1	95	VAL	H	H	8.303	0.005	1
1133	1	95	VAL	HA	H	4.355	0.003	1
1134	1	95	VAL	HB	H	2.076	0.005	1
1135	1	95	VAL	HG11	H	0.876	0.004	2
1136	1	95	VAL	HG12	H	0.876	0.004	2
1137	1	95	VAL	HG13	H	0.876	0.004	2
1138	1	95	VAL	HG21	H	0.842	0.004	2
1139	1	95	VAL	HG22	H	0.842	0.004	2
1140	1	95	VAL	HG23	H	0.842	0.004	2
1141	1	95	VAL	C	C	175.362	0.015	1
1142	1	95	VAL	CA	C	61.924	0.014	1
1143	1	95	VAL	CB	C	32.781	0.073	1
1144	1	95	VAL	CG1	C	20.053	0.077	2
1145	1	95	VAL	CG2	C	22.121	0.061	2
1146	1	95	VAL	N	N	124.567	0.011	1
1147	1	96	GLU	H	H	8.647	0.003	1
1148	1	96	GLU	HA	H	4.605	0.006	1
1149	1	96	GLU	HB2	H	2.013	0.002	2
1150	1	96	GLU	HB3	H	1.871	0.001	2
1151	1	96	GLU	HG2	H	2.227	0.002	1
1152	1	96	GLU	C	C	175.667	0.050	1
1153	1	96	GLU	CA	C	55.439	0.019	1
1154	1	96	GLU	CB	C	31.844	0.077	1
1155	1	96	GLU	CG	C	36.230	0.039	1
1156	1	96	GLU	N	N	125.537	0.003	1
1157	1	97	LYS	H	H	8.637	0.003	1
1158	1	97	LYS	HA	H	4.198	0.003	1
1159	1	97	LYS	HB2	H	1.690	0.003	2
1160	1	97	LYS	HB3	H	1.621	0.004	2
1161	1	97	LYS	HG2	H	1.291	0.003	2
1162	1	97	LYS	HG3	H	1.184	0.005	2
1163	1	97	LYS	HD2	H	1.590	0.003	1
1164	1	97	LYS	HE2	H	2.911	0.009	1
1165	1	97	LYS	C	C	176.652	0.022	1
1166	1	97	LYS	CA	C	56.607	0.026	1
1167	1	97	LYS	CB	C	33.044	0.087	1
1168	1	97	LYS	CG	C	25.248	0.076	1
1169	1	97	LYS	CD	C	28.996	0.028	1
1170	1	97	LYS	CE	C	41.814	0.026	1
1171	1	97	LYS	N	N	124.451	0.003	1
1172	1	98	GLN	H	H	8.691	0.004	1
1173	1	98	GLN	HA	H	4.300	0.003	1
1174	1	98	GLN	HB2	H	2.051	0.004	2
1175	1	98	GLN	HB3	H	1.861	0.001	2
1176	1	98	GLN	HG2	H	2.250	0.002	1
1177	1	98	GLN	HE21	H	7.415	0.000	1
1178	1	98	GLN	HE22	H	7.017	0.001	1
1179	1	98	GLN	C	C	175.826	0.031	1
1180	1	98	GLN	CA	C	55.458	0.128	1
1181	1	98	GLN	CB	C	29.510	0.034	1
1182	1	98	GLN	CG	C	33.921	0.089	1
1183	1	98	GLN	N	N	123.050	0.008	1
1184	1	98	GLN	NE2	N	112.767	0.003	1
1185	1	99	SER	H	H	8.418	0.001	1
1186	1	99	SER	HA	H	4.421	0.002	1
1187	1	99	SER	HB2	H	3.808	0.002	1
1188	1	99	SER	C	C	173.992	0.018	1
1189	1	99	SER	CA	C	58.024	0.027	1
1190	1	99	SER	CB	C	63.614	0.101	1
1191	1	99	SER	N	N	117.597	0.002	1
1192	1	100	LEU	H	H	8.296	0.001	1
1193	1	100	LEU	HA	H	4.369	0.003	1
1194	1	100	LEU	HB2	H	1.619	0.002	2
1195	1	100	LEU	HB3	H	1.511	0.002	2
1196	1	100	LEU	HG	H	1.574	0.003	1
1197	1	100	LEU	HD11	H	0.845	0.003	2
1198	1	100	LEU	HD12	H	0.845	0.003	2
1199	1	100	LEU	HD13	H	0.845	0.003	2
1200	1	100	LEU	HD21	H	0.909	0.004	2
1201	1	100	LEU	HD22	H	0.909	0.004	2
1202	1	100	LEU	HD23	H	0.909	0.004	2
1203	1	100	LEU	C	C	176.525	0.022	1
1204	1	100	LEU	CA	C	55.078	0.047	1
1205	1	100	LEU	CB	C	42.499	0.030	1
1206	1	100	LEU	CG	C	27.019	0.038	1
1207	1	100	LEU	CD1	C	23.487	0.022	2
1208	1	100	LEU	CD2	C	25.000	0.042	2
1209	1	100	LEU	N	N	124.226	0.003	1
1210	1	101	VAL	H	H	7.957	0.001	1
1211	1	101	VAL	HA	H	4.059	0.003	1
1212	1	101	VAL	HB	H	1.963	0.004	1
1213	1	101	VAL	HG11	H	0.844	0.004	2
1214	1	101	VAL	HG12	H	0.844	0.004	2
1215	1	101	VAL	HG13	H	0.844	0.004	2
1216	1	101	VAL	HG21	H	0.849	0.003	2
1217	1	101	VAL	HG22	H	0.849	0.003	2
1218	1	101	VAL	HG23	H	0.849	0.003	2
1219	1	101	VAL	C	C	174.633	0.028	1
1220	1	101	VAL	CA	C	62.076	0.040	1
1221	1	101	VAL	CB	C	33.072	0.025	1
1222	1	101	VAL	CG1	C	20.355	0.041	2
1223	1	101	VAL	CG2	C	21.148	0.036	2
1224	1	101	VAL	N	N	120.897	0.009	1
1225	1	102	PHE	H	H	7.779	0.002	1
1226	1	102	PHE	HA	H	4.443	0.003	1
1227	1	102	PHE	HB2	H	3.139	0.003	2
1228	1	102	PHE	HB3	H	2.934	0.001	2
1229	1	102	PHE	HD1	H	7.214	0.003	1
1230	1	102	PHE	HD2	H	7.214	0.003	1
1231	1	102	PHE	HE1	H	7.319	0.000	1
1232	1	102	PHE	HE2	H	7.319	0.000	1
1233	1	102	PHE	HZ	H	7.267	0.001	1
1234	1	102	PHE	C	C	180.207	0.000	1
1235	1	102	PHE	CA	C	58.955	0.068	1
1236	1	102	PHE	CB	C	40.497	0.017	1
1237	1	102	PHE	CD1	C	131.961	0.012	1
1238	1	102	PHE	CD2	C	131.961	0.012	1
1239	1	102	PHE	CE1	C	131.099	0.015	1
1240	1	102	PHE	CE2	C	131.099	0.015	1
1241	1	102	PHE	CZ	C	129.424	0.000	1
1242	1	102	PHE	N	N	129.028	0.009	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: 0.12 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: 0.12 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: -0.03 ppm, Outliers: 2 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: -0.32 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Heteronucl. T₁

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

Heteronucl. T₂

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

Heteronucl. NOE

93 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

87 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
6	calcium chloride	natural abundance	5 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
6	calcium chloride	natural abundance	5 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
6	calcium chloride	natural abundance	5 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
6	calcium chloride	natural abundance	5 mM

5 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
6	calcium chloride	natural abundance	5 mM

6 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
7	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
8	TRIS	natural abundance	25 mM
9	potassium chloride	natural abundance	50 mM
10	magnesium chloride	natural abundance	5 mM
11	EGTA	natural abundance	1 mM
12	calcium chloride	natural abundance	5 mM

7 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
7	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
8	TRIS	natural abundance	25 mM
9	potassium chloride	natural abundance	50 mM
10	magnesium chloride	natural abundance	5 mM
11	EGTA	natural abundance	1 mM
12	calcium chloride	natural abundance	5 mM

8 3D HACACO

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
7	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
8	TRIS	natural abundance	25 mM
9	potassium chloride	natural abundance	50 mM
10	magnesium chloride	natural abundance	5 mM
11	EGTA	natural abundance	1 mM
12	calcium chloride	natural abundance	5 mM

9 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
7	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
8	TRIS	natural abundance	25 mM
9	potassium chloride	natural abundance	50 mM
10	magnesium chloride	natural abundance	5 mM
11	EGTA	natural abundance	1 mM
12	calcium chloride	natural abundance	5 mM

10 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
7	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
8	TRIS	natural abundance	25 mM
9	potassium chloride	natural abundance	50 mM
10	magnesium chloride	natural abundance	5 mM
11	EGTA	natural abundance	1 mM
12	calcium chloride	natural abundance	5 mM

11 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
7	Tcb2-C	[U-98% 13C; U-98% 15N]	0.75 mM
8	TRIS	natural abundance	25 mM
9	potassium chloride	natural abundance	50 mM
10	magnesium chloride	natural abundance	5 mM
11	EGTA	natural abundance	1 mM
12	calcium chloride	natural abundance	5 mM

12 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
13	Tcb2-C	[U-98% 15N]	0.75 mM
14	TRIS	natural abundance	25 mM
15	potassium chloride	natural abundance	50 mM
16	magnesium chloride	natural abundance	5 mM
17	EGTA	natural abundance	1 mM
18	calcium chloride	natural abundance	5 mM

13 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
19	Tcb2-C	natural abundance	1.1 mM
20	TRIS	natural abundance	25 mM
21	potassium chloride	natural abundance	50 mM
22	magnesium chloride	natural abundance	5 mM
23	EGTA	natural abundance	1 mM
24	calcium chloride	natural abundance	5 mM

14 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
19	Tcb2-C	natural abundance	1.1 mM
20	TRIS	natural abundance	25 mM
21	potassium chloride	natural abundance	50 mM
22	magnesium chloride	natural abundance	5 mM
23	EGTA	natural abundance	1 mM
24	calcium chloride	natural abundance	5 mM

15 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
19	Tcb2-C	natural abundance	1.1 mM
20	TRIS	natural abundance	25 mM
21	potassium chloride	natural abundance	50 mM
22	magnesium chloride	natural abundance	5 mM
23	EGTA	natural abundance	1 mM
24	calcium chloride	natural abundance	5 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
6	calcium chloride	natural abundance	5 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
6	calcium chloride	natural abundance	5 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
6	calcium chloride	natural abundance	5 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_26724_2ncp.nef
Input source #2: Coordindates	2ncp.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_26724_2ncp.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1132		99.0 (chain: A, length: 102)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	Warning	2414 (1)	noe	99.0 (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: 569
  - ¹³C chemical shifts: 457
  - ¹⁵N chemical shifts: 106
- 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	569	90.0
¹³C chemical shifts	464	457	98.5
¹⁵N chemical shifts	112	106	94.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	207	203	98.1
¹³C chemical shifts	204	202	99.0
¹⁵N chemical shifts	99	97	98.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	425	366	86.1
¹³C chemical shifts	260	255	98.1
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: 99.0%
- Total number of restraints: 2412
- Weight of restraints: 1.0 (2412)
- Potential type of restraints: upper-bound-parabolic (2412)
- Range of distance target values: 2.29, 5.5 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

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 (1.286 seconds)

BMRB: 26724

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