BMRBj - BMREntryMaster

Found 1 Document (0.656 seconds)

BMRB: 34341

6QAY

Structural investigation of the TasA anchoring protein TapA from Bacillus subtilis

Authors

Higman, V.A., Schmieder, P., Diehl, A., Oschkinat, H.

Assembly

TasA anchoring/assembly protein

Entity

1. TasA anchoring/assembly protein (polymer), 147 monomers, 16981.05 Da Detail

AFHDIETFDV SLQTCKDFQH TDKNCHYDKR WDQSDLHISD QTDTKGTVCS PFALFAVLEN TGEKLKKSKW KWELHKLENA RKPLKDGNVI EKGFVSNQIG DSLYKIETKK KMKPGIYAFK VYKPAGYPAN GSTFEWSEPM RLAKCDE

Formula weight

16981.05 Da

Source organism

Bacillus subtilis

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 804, ¹³C: 522, ¹⁵N: 114 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	31	TRP	H	H	8.542	0.028	1
2	1	31	TRP	HA	H	4.881	0.012	1
3	1	31	TRP	HB2	H	3.208	0.013	2
4	1	31	TRP	HB3	H	3.616	0.008	2
5	1	31	TRP	HD1	H	6.747	0.012	1
6	1	31	TRP	HE1	H	11.509	0.017	1
7	1	31	TRP	HE3	H	6.880	0.015	1
8	1	31	TRP	HZ2	H	7.533	0.012	1
9	1	31	TRP	HZ3	H	7.183	0.008	1
10	1	31	TRP	HH2	H	7.526	0.009	1
11	1	31	TRP	C	C	174.878	0.000	1
12	1	31	TRP	CA	C	55.150	0.000	1
13	1	31	TRP	CB	C	29.283	0.078	1
14	1	31	TRP	CD1	C	133.795	0.074	1
15	1	31	TRP	CE3	C	118.477	0.045	1
16	1	31	TRP	CZ2	C	116.886	0.068	1
17	1	31	TRP	CZ3	C	118.322	0.046	1
18	1	31	TRP	CH2	C	125.018	0.118	1
19	1	31	TRP	N	N	122.808	0.050	1
20	1	31	TRP	NE1	N	131.961	0.057	1
21	1	32	ASP	H	H	8.181	0.005	1
22	1	32	ASP	HA	H	4.366	0.019	1
23	1	32	ASP	HB2	H	2.673	0.010	2
24	1	32	ASP	HB3	H	3.477	0.014	2
25	1	32	ASP	CA	C	53.653	0.101	1
26	1	32	ASP	CB	C	41.898	0.152	1
27	1	32	ASP	N	N	129.250	0.044	1
28	1	33	GLN	HA	H	1.205	0.011	1
29	1	33	GLN	HB2	H	1.634	0.009	2
30	1	33	GLN	HB3	H	2.096	0.009	2
31	1	33	GLN	HG2	H	1.308	0.004	2
32	1	33	GLN	HG3	H	1.040	0.012	2
33	1	33	GLN	C	C	176.251	0.000	1
34	1	33	GLN	CA	C	59.024	0.100	1
35	1	33	GLN	CB	C	25.342	0.142	1
36	1	33	GLN	CG	C	35.375	0.055	1
37	1	34	SER	H	H	8.567	0.014	1
38	1	34	SER	HA	H	4.890	0.018	1
39	1	34	SER	HB2	H	3.772	0.011	2
40	1	34	SER	HB3	H	4.048	0.004	2
41	1	34	SER	C	C	174.821	0.000	1
42	1	34	SER	CA	C	60.352	0.056	1
43	1	34	SER	CB	C	64.591	0.156	1
44	1	34	SER	N	N	119.215	0.037	1
45	1	35	ASP	H	H	8.563	0.014	1
46	1	35	ASP	HA	H	5.677	0.008	1
47	1	35	ASP	HB2	H	2.781	0.010	2
48	1	35	ASP	HB3	H	3.354	0.008	2
49	1	35	ASP	C	C	172.788	0.000	1
50	1	35	ASP	CA	C	55.097	0.120	1
51	1	35	ASP	CB	C	41.854	0.134	1
52	1	35	ASP	N	N	119.212	0.038	1
53	1	36	LEU	H	H	6.006	0.009	1
54	1	36	LEU	HA	H	4.873	0.010	1
55	1	36	LEU	HB2	H	0.596	0.011	2
56	1	36	LEU	HB3	H	-0.295	0.008	2
57	1	36	LEU	HG	H	0.320	0.006	1
58	1	36	LEU	HD11	H	0.040	0.008	2
59	1	36	LEU	HD12	H	0.040	0.008	2
60	1	36	LEU	HD13	H	0.040	0.008	2
61	1	36	LEU	HD21	H	-0.136	0.004	2
62	1	36	LEU	HD22	H	-0.136	0.004	2
63	1	36	LEU	HD23	H	-0.136	0.004	2
64	1	36	LEU	C	C	176.962	0.000	1
65	1	36	LEU	CA	C	54.251	0.033	1
66	1	36	LEU	CB	C	43.003	0.065	1
67	1	36	LEU	CG	C	28.903	0.062	1
68	1	36	LEU	CD1	C	24.087	0.027	2
69	1	36	LEU	CD2	C	24.689	0.042	2
70	1	36	LEU	N	N	126.167	0.050	1
71	1	37	HIS	H	H	8.753	0.011	1
72	1	37	HIS	HA	H	5.111	0.012	1
73	1	37	HIS	HB2	H	3.233	0.007	2
74	1	37	HIS	HB3	H	3.342	0.013	2
75	1	37	HIS	C	C	174.334	0.000	1
76	1	37	HIS	CA	C	53.875	0.000	1
77	1	37	HIS	CB	C	31.810	0.052	1
78	1	37	HIS	N	N	120.353	0.088	1
79	1	38	ILE	H	H	9.499	0.003	1
80	1	38	ILE	HA	H	4.184	0.016	1
81	1	38	ILE	HB	H	1.884	0.008	1
82	1	38	ILE	HG12	H	0.629	0.004	2
83	1	38	ILE	HG13	H	1.765	0.016	2
84	1	38	ILE	HG21	H	1.017	0.013	1
85	1	38	ILE	HG22	H	1.017	0.013	1
86	1	38	ILE	HG23	H	1.017	0.013	1
87	1	38	ILE	HD11	H	0.763	0.008	1
88	1	38	ILE	HD12	H	0.763	0.008	1
89	1	38	ILE	HD13	H	0.763	0.008	1
90	1	38	ILE	C	C	176.076	0.000	1
91	1	38	ILE	CA	C	64.279	0.068	1
92	1	38	ILE	CB	C	38.099	0.058	1
93	1	38	ILE	CG1	C	28.550	0.098	1
94	1	38	ILE	CG2	C	17.596	0.110	1
95	1	38	ILE	CD1	C	14.091	0.112	1
96	1	38	ILE	N	N	125.419	0.020	1
97	1	39	SER	H	H	9.777	0.006	1
98	1	39	SER	HA	H	4.789	0.009	1
99	1	39	SER	HB2	H	3.594	0.018	2
100	1	39	SER	HB3	H	3.956	0.007	2
101	1	39	SER	C	C	174.184	0.000	1
102	1	39	SER	CA	C	58.621	0.035	1
103	1	39	SER	CB	C	65.617	0.086	1
104	1	39	SER	N	N	125.388	0.018	1
105	1	40	ASP	H	H	8.167	0.004	1
106	1	40	ASP	HA	H	4.953	0.011	1
107	1	40	ASP	HB2	H	2.433	0.009	2
108	1	40	ASP	HB3	H	2.960	0.018	2
109	1	40	ASP	C	C	174.127	0.000	1
110	1	40	ASP	CA	C	53.461	0.000	1
111	1	40	ASP	CB	C	44.018	0.106	1
112	1	40	ASP	N	N	119.798	0.035	1
113	1	41	GLN	H	H	8.712	0.006	1
114	1	41	GLN	HA	H	4.757	0.012	1
115	1	41	GLN	HB2	H	2.700	0.014	1
116	1	41	GLN	HB3	H	2.700	0.014	1
117	1	41	GLN	HG2	H	2.178	0.011	2
118	1	41	GLN	HG3	H	2.323	0.013	2
119	1	41	GLN	C	C	174.010	0.000	1
120	1	41	GLN	CA	C	56.314	0.000	1
121	1	41	GLN	CB	C	31.470	0.032	1
122	1	41	GLN	CG	C	33.839	0.183	1
123	1	41	GLN	N	N	115.397	0.100	1
124	1	42	THR	H	H	7.372	0.005	1
125	1	42	THR	HA	H	3.541	0.007	1
126	1	42	THR	HB	H	3.892	0.011	1
127	1	42	THR	HG21	H	1.362	0.011	1
128	1	42	THR	HG22	H	1.362	0.011	1
129	1	42	THR	HG23	H	1.362	0.011	1
130	1	42	THR	C	C	172.980	0.000	1
131	1	42	THR	CA	C	65.900	0.086	1
132	1	42	THR	CB	C	71.004	0.043	1
133	1	42	THR	CG2	C	22.081	0.101	1
134	1	42	THR	N	N	116.498	0.024	1
135	1	43	ASP	H	H	8.824	0.003	1
136	1	43	ASP	HA	H	4.767	0.001	1
137	1	43	ASP	HB2	H	2.915	0.004	2
138	1	43	ASP	HB3	H	3.020	0.002	2
139	1	43	ASP	C	C	177.131	0.000	1
140	1	43	ASP	CA	C	54.023	0.000	1
141	1	43	ASP	CB	C	41.559	0.000	1
142	1	43	ASP	N	N	126.822	0.027	1
143	1	44	THR	H	H	8.446	0.008	1
144	1	44	THR	HA	H	4.703	0.006	1
145	1	44	THR	HB	H	5.086	0.011	1
146	1	44	THR	HG21	H	0.974	0.009	1
147	1	44	THR	HG22	H	0.974	0.009	1
148	1	44	THR	HG23	H	0.974	0.009	1
149	1	44	THR	C	C	174.276	0.000	1
150	1	44	THR	CA	C	60.356	0.067	1
151	1	44	THR	CB	C	68.366	0.057	1
152	1	44	THR	CG2	C	20.890	0.063	1
153	1	44	THR	N	N	116.874	0.059	1
154	1	45	LYS	H	H	8.171	0.006	1
155	1	45	LYS	HA	H	4.231	0.007	1
156	1	45	LYS	HB2	H	1.875	0.005	2
157	1	45	LYS	HB3	H	2.016	0.009	2
158	1	45	LYS	HG2	H	1.606	0.011	2
159	1	45	LYS	HG3	H	1.606	0.011	2
160	1	45	LYS	HD2	H	1.804	0.011	1
161	1	45	LYS	HD3	H	1.804	0.011	1
162	1	45	LYS	HE2	H	3.119	0.009	1
163	1	45	LYS	HE3	H	3.119	0.009	1
164	1	45	LYS	C	C	177.956	0.000	1
165	1	45	LYS	CA	C	58.700	0.000	1
166	1	45	LYS	CB	C	32.423	0.174	1
167	1	45	LYS	CG	C	25.024	0.098	1
168	1	45	LYS	CD	C	29.413	0.115	1
169	1	45	LYS	CE	C	41.962	0.000	1
170	1	45	LYS	N	N	122.513	0.027	1
171	1	46	GLY	H	H	8.354	0.003	1
172	1	46	GLY	HA2	H	3.823	0.014	2
173	1	46	GLY	HA3	H	4.093	0.010	2
174	1	46	GLY	C	C	173.271	0.000	1
175	1	46	GLY	CA	C	44.526	0.020	1
176	1	46	GLY	N	N	109.352	0.041	1
177	1	47	THR	H	H	8.388	0.005	1
178	1	47	THR	HA	H	4.145	0.013	1
179	1	47	THR	HB	H	4.072	0.007	1
180	1	47	THR	HG21	H	1.075	0.009	1
181	1	47	THR	HG22	H	1.075	0.009	1
182	1	47	THR	HG23	H	1.075	0.009	1
183	1	47	THR	C	C	173.691	0.000	1
184	1	47	THR	CA	C	63.535	0.114	1
185	1	47	THR	CB	C	69.665	0.063	1
186	1	47	THR	CG2	C	21.892	0.143	1
187	1	47	THR	N	N	118.572	0.034	1
188	1	48	VAL	H	H	8.966	0.005	1
189	1	48	VAL	HA	H	3.999	0.007	1
190	1	48	VAL	HB	H	1.867	0.008	1
191	1	48	VAL	HG11	H	0.148	0.007	2
192	1	48	VAL	HG12	H	0.148	0.007	2
193	1	48	VAL	HG13	H	0.148	0.007	2
194	1	48	VAL	HG21	H	0.808	0.007	2
195	1	48	VAL	HG22	H	0.808	0.007	2
196	1	48	VAL	HG23	H	0.808	0.007	2
197	1	48	VAL	C	C	175.017	0.000	1
198	1	48	VAL	CA	C	62.001	0.058	1
199	1	48	VAL	CB	C	32.620	0.071	1
200	1	48	VAL	CG1	C	20.744	0.030	2
201	1	48	VAL	CG2	C	21.524	0.035	2
202	1	48	VAL	N	N	131.123	0.024	1
203	1	49	CYS	H	H	8.618	0.004	1
204	1	49	CYS	HA	H	4.702	0.005	1
205	1	49	CYS	HB2	H	2.834	0.014	2
206	1	49	CYS	HB3	H	3.175	0.006	2
207	1	49	CYS	C	C	175.455	0.000	1
208	1	49	CYS	CA	C	55.433	0.000	1
209	1	49	CYS	CB	C	40.326	0.179	1
210	1	49	CYS	N	N	125.359	0.052	1
211	1	50	SER	H	H	8.729	0.005	1
212	1	50	SER	HA	H	4.464	0.012	1
213	1	50	SER	HB2	H	3.880	0.022	2
214	1	50	SER	HB3	H	3.878	0.022	2
215	1	50	SER	C	C	172.740	0.000	1
216	1	50	SER	CA	C	58.040	0.000	1
217	1	50	SER	CB	C	64.003	0.130	1
218	1	50	SER	N	N	116.722	0.068	1
219	1	51	PRO	HA	H	5.115	0.007	1
220	1	51	PRO	HB2	H	1.996	0.003	2
221	1	51	PRO	HB3	H	2.243	0.009	2
222	1	51	PRO	HG2	H	2.130	0.005	2
223	1	51	PRO	HG3	H	2.043	0.011	2
224	1	51	PRO	HD2	H	3.732	0.010	2
225	1	51	PRO	HD3	H	3.782	0.024	2
226	1	51	PRO	C	C	175.188	0.000	1
227	1	51	PRO	CA	C	61.935	0.013	1
228	1	51	PRO	CB	C	34.193	0.120	1
229	1	51	PRO	CG	C	24.945	0.051	1
230	1	51	PRO	CD	C	50.938	0.094	1
231	1	52	PHE	H	H	7.916	0.007	1
232	1	52	PHE	HA	H	4.647	0.008	1
233	1	52	PHE	HB2	H	2.912	0.012	2
234	1	52	PHE	HB3	H	3.272	0.008	2
235	1	52	PHE	HD1	H	7.417	0.006	1
236	1	52	PHE	HD2	H	7.417	0.006	1
237	1	52	PHE	HZ	H	7.203	0.003	1
238	1	52	PHE	C	C	174.363	0.000	1
239	1	52	PHE	CA	C	58.979	0.000	1
240	1	52	PHE	CB	C	45.556	0.084	1
241	1	52	PHE	CD1	C	132.685	0.153	1
242	1	52	PHE	CD2	C	132.685	0.153	1
243	1	52	PHE	CZ	C	132.328	0.048	1
244	1	52	PHE	N	N	125.632	0.049	1
245	1	53	ALA	H	H	8.363	0.006	1
246	1	53	ALA	HA	H	4.412	0.007	1
247	1	53	ALA	HB1	H	1.261	0.004	1
248	1	53	ALA	HB2	H	1.261	0.004	1
249	1	53	ALA	HB3	H	1.261	0.004	1
250	1	53	ALA	C	C	175.249	0.000	1
251	1	53	ALA	CA	C	52.201	0.000	1
252	1	53	ALA	CB	C	19.135	0.044	1
253	1	53	ALA	N	N	131.421	0.033	1
254	1	54	LEU	H	H	7.483	0.004	1
255	1	54	LEU	HA	H	5.099	0.017	1
256	1	54	LEU	HB2	H	1.463	0.019	2
257	1	54	LEU	HB3	H	1.630	0.012	2
258	1	54	LEU	HG	H	1.588	0.019	1
259	1	54	LEU	HD11	H	1.075	0.013	2
260	1	54	LEU	HD12	H	1.075	0.013	2
261	1	54	LEU	HD13	H	1.075	0.013	2
262	1	54	LEU	HD21	H	0.548	0.006	2
263	1	54	LEU	HD22	H	0.548	0.006	2
264	1	54	LEU	HD23	H	0.548	0.006	2
265	1	54	LEU	C	C	175.831	0.000	1
266	1	54	LEU	CA	C	53.485	0.028	1
267	1	54	LEU	CB	C	45.118	0.179	1
268	1	54	LEU	CG	C	27.318	0.113	1
269	1	54	LEU	CD1	C	22.906	0.031	2
270	1	54	LEU	CD2	C	26.710	0.000	2
271	1	54	LEU	N	N	117.840	0.028	1
272	1	55	PHE	H	H	8.288	0.005	1
273	1	55	PHE	HA	H	5.694	0.009	1
274	1	55	PHE	HB2	H	2.970	0.020	2
275	1	55	PHE	HB3	H	3.145	0.010	2
276	1	55	PHE	HD1	H	7.049	0.007	1
277	1	55	PHE	HD2	H	7.049	0.007	1
278	1	55	PHE	HE1	H	6.658	0.010	1
279	1	55	PHE	HE2	H	6.658	0.010	1
280	1	55	PHE	HZ	H	6.752	0.022	1
281	1	55	PHE	C	C	172.567	0.000	1
282	1	55	PHE	CA	C	56.149	0.102	1
283	1	55	PHE	CB	C	43.994	0.129	1
284	1	55	PHE	CD1	C	132.636	0.051	1
285	1	55	PHE	CD2	C	132.636	0.051	1
286	1	55	PHE	CE1	C	131.551	0.106	1
287	1	55	PHE	CE2	C	131.551	0.106	1
288	1	55	PHE	CZ	C	129.442	0.039	1
289	1	55	PHE	N	N	115.705	0.032	1
290	1	56	ALA	H	H	8.582	0.005	1
291	1	56	ALA	HA	H	4.859	0.004	1
292	1	56	ALA	HB1	H	0.849	0.014	1
293	1	56	ALA	HB2	H	0.849	0.014	1
294	1	56	ALA	HB3	H	0.849	0.014	1
295	1	56	ALA	C	C	174.847	0.000	1
296	1	56	ALA	CA	C	51.137	0.000	1
297	1	56	ALA	CB	C	21.230	0.076	1
298	1	56	ALA	N	N	118.005	0.054	1
299	1	57	VAL	H	H	8.767	0.011	1
300	1	57	VAL	HA	H	4.990	0.013	1
301	1	57	VAL	HB	H	1.841	0.008	1
302	1	57	VAL	HG11	H	1.012	0.013	2
303	1	57	VAL	HG12	H	1.012	0.013	2
304	1	57	VAL	HG13	H	1.012	0.013	2
305	1	57	VAL	HG21	H	1.005	0.013	2
306	1	57	VAL	HG22	H	1.005	0.013	2
307	1	57	VAL	HG23	H	1.005	0.013	2
308	1	57	VAL	C	C	175.023	0.000	1
309	1	57	VAL	CA	C	60.827	0.000	1
310	1	57	VAL	CB	C	34.709	0.017	1
311	1	57	VAL	CG1	C	21.749	0.132	2
312	1	57	VAL	CG2	C	21.678	0.095	2
313	1	57	VAL	N	N	121.177	0.071	1
314	1	58	LEU	H	H	9.438	0.005	1
315	1	58	LEU	HA	H	5.354	0.011	1
316	1	58	LEU	HB2	H	1.264	0.016	2
317	1	58	LEU	HB3	H	1.253	0.014	2
318	1	58	LEU	HG	H	1.443	0.017	1
319	1	58	LEU	HD11	H	0.626	0.005	2
320	1	58	LEU	HD12	H	0.626	0.005	2
321	1	58	LEU	HD13	H	0.626	0.005	2
322	1	58	LEU	HD21	H	0.627	0.012	2
323	1	58	LEU	HD22	H	0.627	0.012	2
324	1	58	LEU	HD23	H	0.627	0.012	2
325	1	58	LEU	C	C	174.246	0.000	1
326	1	58	LEU	CA	C	54.375	0.107	1
327	1	58	LEU	CB	C	45.094	0.118	1
328	1	58	LEU	CG	C	29.606	0.087	1
329	1	58	LEU	CD1	C	26.467	0.056	2
330	1	58	LEU	CD2	C	28.399	0.031	2
331	1	58	LEU	N	N	125.825	0.032	1
332	1	59	GLU	H	H	8.905	0.006	1
333	1	59	GLU	HA	H	5.215	0.012	1
334	1	59	GLU	HB2	H	1.899	0.011	2
335	1	59	GLU	HB3	H	1.982	0.008	2
336	1	59	GLU	HG2	H	2.088	0.013	2
337	1	59	GLU	HG3	H	2.294	0.013	2
338	1	59	GLU	C	C	175.990	0.000	1
339	1	59	GLU	CA	C	53.982	0.072	1
340	1	59	GLU	CB	C	32.740	0.094	1
341	1	59	GLU	CG	C	36.342	0.149	1
342	1	59	GLU	N	N	122.190	0.061	1
343	1	60	ASN	H	H	9.200	0.006	1
344	1	60	ASN	HA	H	5.359	0.012	1
345	1	60	ASN	HB2	H	2.366	0.012	2
346	1	60	ASN	HB3	H	3.268	0.012	2
347	1	60	ASN	C	C	176.254	0.000	1
348	1	60	ASN	CA	C	51.112	0.178	1
349	1	60	ASN	CB	C	39.278	0.082	1
350	1	60	ASN	N	N	123.073	0.050	1
351	1	61	THR	H	H	9.158	0.011	1
352	1	61	THR	HA	H	4.741	0.000	1
353	1	61	THR	HB	H	4.823	0.004	1
354	1	61	THR	HG21	H	1.290	0.006	1
355	1	61	THR	HG22	H	1.290	0.006	1
356	1	61	THR	HG23	H	1.290	0.006	1
357	1	61	THR	C	C	175.201	0.000	1
358	1	61	THR	CA	C	61.924	0.000	1
359	1	61	THR	CB	C	68.581	0.065	1
360	1	61	THR	CG2	C	21.822	0.076	1
361	1	61	THR	N	N	117.418	0.024	1
362	1	62	GLY	H	H	8.118	0.006	1
363	1	62	GLY	HA2	H	3.893	0.012	2
364	1	62	GLY	HA3	H	4.918	0.011	2
365	1	62	GLY	C	C	174.155	0.000	1
366	1	62	GLY	CA	C	44.314	0.176	1
367	1	62	GLY	N	N	112.182	0.044	1
368	1	63	GLU	H	H	7.374	0.005	1
369	1	63	GLU	HA	H	4.228	0.006	1
370	1	63	GLU	HB2	H	1.650	0.008	2
371	1	63	GLU	HB3	H	2.184	0.006	2
372	1	63	GLU	HG2	H	2.130	0.013	2
373	1	63	GLU	HG3	H	2.269	0.010	2
374	1	63	GLU	C	C	175.568	0.000	1
375	1	63	GLU	CA	C	55.315	0.007	1
376	1	63	GLU	CB	C	29.916	0.040	1
377	1	63	GLU	CG	C	36.477	0.146	1
378	1	63	GLU	N	N	121.391	0.029	1
379	1	64	LYS	H	H	8.286	0.008	1
380	1	64	LYS	HA	H	3.782	0.010	1
381	1	64	LYS	HB2	H	1.722	0.005	2
382	1	64	LYS	HB3	H	1.792	0.010	2
383	1	64	LYS	HG2	H	1.563	0.029	2
384	1	64	LYS	HG3	H	1.601	0.011	2
385	1	64	LYS	HD2	H	1.796	0.010	2
386	1	64	LYS	HD3	H	1.798	0.006	2
387	1	64	LYS	HE2	H	3.132	0.014	1
388	1	64	LYS	HE3	H	3.132	0.014	1
389	1	64	LYS	C	C	175.355	0.000	1
390	1	64	LYS	CA	C	57.498	0.164	1
391	1	64	LYS	CB	C	33.331	0.159	1
392	1	64	LYS	CG	C	24.981	0.214	1
393	1	64	LYS	CD	C	29.426	0.072	1
394	1	64	LYS	CE	C	42.379	0.149	1
395	1	64	LYS	N	N	118.723	0.058	1
396	1	65	LEU	H	H	7.682	0.008	1
397	1	65	LEU	HA	H	4.226	0.010	1
398	1	65	LEU	HB2	H	1.016	0.007	2
399	1	65	LEU	HB3	H	2.047	0.008	2
400	1	65	LEU	HG	H	1.602	0.015	1
401	1	65	LEU	HD11	H	0.542	0.010	2
402	1	65	LEU	HD12	H	0.542	0.010	2
403	1	65	LEU	HD13	H	0.542	0.010	2
404	1	65	LEU	HD21	H	1.201	0.009	2
405	1	65	LEU	HD22	H	1.201	0.009	2
406	1	65	LEU	HD23	H	1.201	0.009	2
407	1	65	LEU	C	C	176.187	0.000	1
408	1	65	LEU	CA	C	56.972	0.159	1
409	1	65	LEU	CB	C	42.550	0.112	1
410	1	65	LEU	CG	C	27.265	0.111	1
411	1	65	LEU	CD1	C	25.813	0.093	2
412	1	65	LEU	CD2	C	25.554	0.096	2
413	1	65	LEU	N	N	124.088	0.030	1
414	1	66	LYS	H	H	9.190	0.008	1
415	1	66	LYS	HA	H	4.715	0.006	1
416	1	66	LYS	HB2	H	1.861	0.008	2
417	1	66	LYS	HB3	H	1.987	0.018	2
418	1	66	LYS	HG2	H	1.462	0.000	2
419	1	66	LYS	HG3	H	1.573	0.023	2
420	1	66	LYS	HD2	H	1.812	0.009	2
421	1	66	LYS	HD3	H	1.811	0.009	2
422	1	66	LYS	HE2	H	3.057	0.018	1
423	1	66	LYS	HE3	H	3.057	0.018	1
424	1	66	LYS	C	C	175.920	0.000	1
425	1	66	LYS	CA	C	57.433	0.000	1
426	1	66	LYS	CB	C	35.912	0.178	1
427	1	66	LYS	CG	C	24.964	0.080	1
428	1	66	LYS	CD	C	29.442	0.089	1
429	1	66	LYS	CE	C	42.306	0.155	1
430	1	66	LYS	N	N	130.331	0.030	1
431	1	67	LYS	H	H	9.120	0.008	1
432	1	67	LYS	HA	H	4.747	0.004	1
433	1	67	LYS	HB2	H	1.991	0.016	2
434	1	67	LYS	HB3	H	1.993	0.017	2
435	1	67	LYS	HG2	H	1.503	0.018	1
436	1	67	LYS	HG3	H	1.503	0.018	1
437	1	67	LYS	HD2	H	1.780	0.026	2
438	1	67	LYS	HD3	H	1.783	0.025	2
439	1	67	LYS	HE2	H	3.020	0.012	2
440	1	67	LYS	HE3	H	3.015	0.012	2
441	1	67	LYS	C	C	176.840	0.000	1
442	1	67	LYS	CA	C	56.459	0.000	1
443	1	67	LYS	CB	C	35.641	0.199	1
444	1	67	LYS	CG	C	24.983	0.032	1
445	1	67	LYS	CD	C	29.400	0.089	1
446	1	67	LYS	CE	C	42.164	0.046	1
447	1	67	LYS	N	N	118.164	0.040	1
448	1	68	SER	H	H	8.813	0.009	1
449	1	68	SER	HA	H	4.425	0.007	1
450	1	68	SER	HB2	H	4.331	0.004	1
451	1	68	SER	HB3	H	4.331	0.004	1
452	1	68	SER	C	C	173.529	0.000	1
453	1	68	SER	CA	C	62.576	0.000	1
454	1	68	SER	CB	C	64.146	0.000	1
455	1	68	SER	N	N	121.631	0.082	1
456	1	69	LYS	H	H	8.912	0.013	1
457	1	69	LYS	HA	H	4.690	0.008	1
458	1	69	LYS	HB2	H	1.516	0.012	2
459	1	69	LYS	HB3	H	1.839	0.014	2
460	1	69	LYS	HG2	H	1.194	0.013	2
461	1	69	LYS	HG3	H	1.385	0.011	2
462	1	69	LYS	HD2	H	1.217	0.015	2
463	1	69	LYS	HD3	H	1.284	0.005	2
464	1	69	LYS	HE2	H	2.526	0.011	2
465	1	69	LYS	HE3	H	2.569	0.016	2
466	1	69	LYS	C	C	175.852	0.000	1
467	1	69	LYS	CA	C	54.954	0.000	1
468	1	69	LYS	CB	C	32.646	0.103	1
469	1	69	LYS	CG	C	24.397	0.086	1
470	1	69	LYS	CD	C	28.700	0.078	1
471	1	69	LYS	CE	C	41.750	0.132	1
472	1	69	LYS	N	N	123.622	0.054	1
473	1	70	TRP	H	H	10.005	0.007	1
474	1	70	TRP	HA	H	4.487	0.020	1
475	1	70	TRP	HB2	H	3.086	0.016	2
476	1	70	TRP	HB3	H	3.207	0.012	2
477	1	70	TRP	HD1	H	7.250	0.007	1
478	1	70	TRP	HE1	H	10.591	0.005	1
479	1	70	TRP	HE3	H	7.574	0.010	1
480	1	70	TRP	HZ2	H	8.122	0.009	1
481	1	70	TRP	HZ3	H	7.142	0.013	1
482	1	70	TRP	HH2	H	7.555	0.015	1
483	1	70	TRP	C	C	174.940	0.000	1
484	1	70	TRP	CA	C	56.580	0.113	1
485	1	70	TRP	CB	C	27.373	0.063	1
486	1	70	TRP	CD1	C	127.628	0.036	1
487	1	70	TRP	CE3	C	123.622	0.057	1
488	1	70	TRP	CZ2	C	114.313	0.073	1
489	1	70	TRP	CZ3	C	123.125	0.122	1
490	1	70	TRP	CH2	C	124.608	0.014	1
491	1	70	TRP	N	N	130.884	0.049	1
492	1	70	TRP	NE1	N	130.039	0.028	1
493	1	71	LYS	H	H	8.720	0.004	1
494	1	71	LYS	HA	H	4.686	0.008	1
495	1	71	LYS	HB2	H	1.790	0.013	2
496	1	71	LYS	HB3	H	1.854	0.017	2
497	1	71	LYS	HG2	H	1.131	0.018	2
498	1	71	LYS	HG3	H	1.220	0.017	2
499	1	71	LYS	HD2	H	1.370	0.007	2
500	1	71	LYS	HD3	H	1.449	0.012	2
501	1	71	LYS	HE2	H	2.432	0.014	2
502	1	71	LYS	HE3	H	2.577	0.012	2
503	1	71	LYS	C	C	174.578	0.000	1
504	1	71	LYS	CA	C	56.550	0.000	1
505	1	71	LYS	CB	C	33.872	0.108	1
506	1	71	LYS	CG	C	25.596	0.036	1
507	1	71	LYS	CD	C	29.605	0.116	1
508	1	71	LYS	CE	C	41.795	0.110	1
509	1	71	LYS	N	N	127.252	0.054	1
510	1	72	TRP	H	H	8.879	0.008	1
511	1	72	TRP	HA	H	6.423	0.005	1
512	1	72	TRP	HB2	H	2.932	0.008	2
513	1	72	TRP	HB3	H	3.372	0.006	2
514	1	72	TRP	HD1	H	6.725	0.007	1
515	1	72	TRP	HE1	H	9.829	0.004	1
516	1	72	TRP	HE3	H	7.382	0.007	1
517	1	72	TRP	HZ2	H	7.624	0.006	1
518	1	72	TRP	HZ3	H	6.861	0.006	1
519	1	72	TRP	HH2	H	7.286	0.007	1
520	1	72	TRP	C	C	174.954	0.000	1
521	1	72	TRP	CA	C	54.090	0.090	1
522	1	72	TRP	CB	C	35.422	0.102	1
523	1	72	TRP	CD1	C	126.763	0.038	1
524	1	72	TRP	CE3	C	119.511	0.064	1
525	1	72	TRP	CZ2	C	114.829	0.048	1
526	1	72	TRP	CZ3	C	121.468	0.034	1
527	1	72	TRP	CH2	C	124.914	0.018	1
528	1	72	TRP	N	N	121.241	0.052	1
529	1	72	TRP	NE1	N	128.499	0.077	1
530	1	73	GLU	H	H	9.654	0.006	1
531	1	73	GLU	HA	H	4.992	0.013	1
532	1	73	GLU	HB2	H	2.118	0.014	2
533	1	73	GLU	HB3	H	2.116	0.017	2
534	1	73	GLU	HG2	H	2.302	0.014	2
535	1	73	GLU	HG3	H	2.304	0.014	2
536	1	73	GLU	C	C	175.728	0.000	1
537	1	73	GLU	CA	C	54.410	0.000	1
538	1	73	GLU	CB	C	36.292	0.223	1
539	1	73	GLU	CG	C	36.781	0.150	1
540	1	73	GLU	N	N	117.446	0.034	1
541	1	74	LEU	H	H	9.628	0.006	1
542	1	74	LEU	HA	H	5.161	0.011	1
543	1	74	LEU	HB2	H	1.523	0.009	2
544	1	74	LEU	HB3	H	2.075	0.010	2
545	1	74	LEU	HG	H	1.395	0.010	1
546	1	74	LEU	HD11	H	0.164	0.007	2
547	1	74	LEU	HD12	H	0.164	0.007	2
548	1	74	LEU	HD13	H	0.164	0.007	2
549	1	74	LEU	HD21	H	0.544	0.006	2
550	1	74	LEU	HD22	H	0.544	0.006	2
551	1	74	LEU	HD23	H	0.544	0.006	2
552	1	74	LEU	C	C	175.402	0.000	1
553	1	74	LEU	CA	C	53.875	0.101	1
554	1	74	LEU	CB	C	43.213	0.110	1
555	1	74	LEU	CG	C	27.416	0.184	1
556	1	74	LEU	CD1	C	23.297	0.060	2
557	1	74	LEU	CD2	C	26.198	0.118	2
558	1	74	LEU	N	N	125.818	0.030	1
559	1	75	HIS	H	H	9.610	0.007	1
560	1	75	HIS	HA	H	5.159	0.008	1
561	1	75	HIS	HB2	H	2.847	0.018	2
562	1	75	HIS	HB3	H	3.528	0.007	2
563	1	75	HIS	HD2	H	7.004	0.007	1
564	1	75	HIS	HE1	H	7.629	0.006	1
565	1	75	HIS	HE2	H	11.802	0.056	1
566	1	75	HIS	C	C	175.097	0.000	1
567	1	75	HIS	CA	C	56.589	0.000	1
568	1	75	HIS	CB	C	35.926	0.116	1
569	1	75	HIS	CD2	C	114.955	0.055	1
570	1	75	HIS	CE1	C	137.807	0.042	1
571	1	75	HIS	N	N	128.256	0.042	1
572	1	75	HIS	NE2	N	167.195	0.024	1
573	1	76	LYS	H	H	9.445	0.007	1
574	1	76	LYS	HA	H	4.791	0.014	1
575	1	76	LYS	HB2	H	1.711	0.007	2
576	1	76	LYS	HB3	H	2.042	0.005	2
577	1	76	LYS	HE2	H	3.083	0.008	2
578	1	76	LYS	HE3	H	3.201	0.015	2
579	1	76	LYS	C	C	176.765	0.000	1
580	1	76	LYS	CA	C	55.890	0.000	1
581	1	76	LYS	CB	C	34.765	0.000	1
582	1	76	LYS	CG	C	25.839	0.000	1
583	1	76	LYS	CD	C	29.665	0.000	1
584	1	76	LYS	CE	C	42.791	0.286	1
585	1	76	LYS	N	N	123.530	0.031	1
586	1	77	LEU	H	H	9.093	0.007	1
587	1	77	LEU	HA	H	4.716	0.012	1
588	1	77	LEU	HB2	H	1.237	0.009	2
589	1	77	LEU	HB3	H	1.634	0.009	2
590	1	77	LEU	HG	H	0.700	0.009	1
591	1	77	LEU	HD11	H	0.871	0.012	2
592	1	77	LEU	HD12	H	0.871	0.012	2
593	1	77	LEU	HD13	H	0.871	0.012	2
594	1	77	LEU	HD21	H	0.872	0.011	2
595	1	77	LEU	HD22	H	0.872	0.011	2
596	1	77	LEU	HD23	H	0.872	0.011	2
597	1	77	LEU	C	C	176.868	0.000	1
598	1	77	LEU	CA	C	53.667	0.073	1
599	1	77	LEU	CB	C	44.582	0.108	1
600	1	77	LEU	CG	C	26.990	0.077	1
601	1	77	LEU	CD1	C	23.719	0.053	2
602	1	77	LEU	CD2	C	23.722	0.054	2
603	1	77	LEU	N	N	129.929	0.029	1
604	1	78	GLU	H	H	8.621	0.005	1
605	1	78	GLU	HA	H	4.255	0.005	1
606	1	78	GLU	HB2	H	2.000	0.015	2
607	1	78	GLU	HB3	H	2.121	0.011	2
608	1	78	GLU	HG2	H	2.310	0.014	2
609	1	78	GLU	HG3	H	2.429	0.012	2
610	1	78	GLU	C	C	176.897	0.000	1
611	1	78	GLU	CA	C	57.925	0.101	1
612	1	78	GLU	CB	C	30.659	0.028	1
613	1	78	GLU	CG	C	36.560	0.174	1
614	1	78	GLU	N	N	118.668	0.021	1
615	1	79	ASN	H	H	7.644	0.006	1
616	1	79	ASN	HA	H	4.485	0.010	1
617	1	79	ASN	HB2	H	2.839	0.008	2
618	1	79	ASN	HB3	H	2.965	0.009	2
619	1	79	ASN	HD21	H	6.869	0.009	1
620	1	79	ASN	HD22	H	7.757	0.009	1
621	1	79	ASN	C	C	172.419	0.000	1
622	1	79	ASN	CA	C	52.626	0.087	1
623	1	79	ASN	CB	C	40.608	0.140	1
624	1	79	ASN	N	N	111.542	0.062	1
625	1	79	ASN	ND2	N	114.886	0.066	1
626	1	80	ALA	H	H	8.704	0.008	1
627	1	80	ALA	HA	H	4.268	0.012	1
628	1	80	ALA	HB1	H	1.323	0.008	1
629	1	80	ALA	HB2	H	1.323	0.008	1
630	1	80	ALA	HB3	H	1.323	0.008	1
631	1	80	ALA	C	C	175.884	0.000	1
632	1	80	ALA	CA	C	50.754	0.063	1
633	1	80	ALA	CB	C	19.248	0.098	1
634	1	80	ALA	N	N	121.254	0.027	1
635	1	81	ARG	H	H	8.056	0.006	1
636	1	81	ARG	HA	H	4.063	0.008	1
637	1	81	ARG	HB2	H	1.702	0.011	1
638	1	81	ARG	HB3	H	1.702	0.011	1
639	1	81	ARG	HG2	H	1.597	0.017	1
640	1	81	ARG	HG3	H	1.597	0.017	1
641	1	81	ARG	HD2	H	3.208	0.013	1
642	1	81	ARG	HD3	H	3.208	0.013	1
643	1	81	ARG	C	C	175.277	0.000	1
644	1	81	ARG	CA	C	56.835	0.120	1
645	1	81	ARG	CB	C	30.366	0.016	1
646	1	81	ARG	CG	C	27.597	0.109	1
647	1	81	ARG	CD	C	43.478	0.226	1
648	1	81	ARG	N	N	120.255	0.076	1
649	1	82	LYS	H	H	8.230	0.003	1
650	1	82	LYS	HA	H	4.158	0.016	1
651	1	82	LYS	HB2	H	1.655	0.014	1
652	1	82	LYS	HB3	H	1.655	0.014	1
653	1	82	LYS	HG2	H	1.317	0.008	2
654	1	82	LYS	HG3	H	1.311	0.006	2
655	1	82	LYS	HD2	H	1.794	0.000	1
656	1	82	LYS	HD3	H	1.794	0.000	1
657	1	82	LYS	C	C	175.741	0.000	1
658	1	82	LYS	CA	C	54.586	0.083	1
659	1	82	LYS	CB	C	32.551	0.025	1
660	1	82	LYS	N	N	122.712	0.052	1
661	1	83	PRO	HA	H	4.514	0.008	1
662	1	83	PRO	HB2	H	2.191	0.008	2
663	1	83	PRO	HB3	H	2.480	0.005	2
664	1	83	PRO	HG2	H	2.038	0.008	2
665	1	83	PRO	HG3	H	2.013	0.007	2
666	1	83	PRO	HD2	H	3.588	0.018	2
667	1	83	PRO	HD3	H	3.615	0.009	2
668	1	83	PRO	C	C	175.900	0.000	1
669	1	83	PRO	CA	C	62.014	0.119	1
670	1	83	PRO	CB	C	34.125	0.092	1
671	1	83	PRO	CG	C	25.290	0.070	1
672	1	83	PRO	CD	C	50.761	0.096	1
673	1	84	LEU	H	H	8.313	0.007	1
674	1	84	LEU	HA	H	3.933	0.010	1
675	1	84	LEU	HB2	H	-0.142	0.014	2
676	1	84	LEU	HB3	H	-0.143	0.014	2
677	1	84	LEU	HG	H	1.304	0.007	1
678	1	84	LEU	HD11	H	0.334	0.005	2
679	1	84	LEU	HD12	H	0.334	0.005	2
680	1	84	LEU	HD13	H	0.334	0.005	2
681	1	84	LEU	HD21	H	0.392	0.008	2
682	1	84	LEU	HD22	H	0.392	0.008	2
683	1	84	LEU	HD23	H	0.392	0.008	2
684	1	84	LEU	C	C	175.803	0.000	1
685	1	84	LEU	CA	C	55.351	0.063	1
686	1	84	LEU	CB	C	39.413	0.079	1
687	1	84	LEU	CG	C	26.705	0.088	1
688	1	84	LEU	CD1	C	25.994	0.055	2
689	1	84	LEU	CD2	C	22.107	0.079	2
690	1	84	LEU	N	N	123.086	0.054	1
691	1	85	LYS	H	H	7.270	0.004	1
692	1	85	LYS	HA	H	4.542	0.021	1
693	1	85	LYS	HB2	H	1.690	0.017	2
694	1	85	LYS	HB3	H	1.876	0.011	2
695	1	85	LYS	HG2	H	1.515	0.017	1
696	1	85	LYS	HG3	H	1.515	0.017	1
697	1	85	LYS	HD2	H	1.741	0.010	2
698	1	85	LYS	HD3	H	1.742	0.012	2
699	1	85	LYS	HE2	H	3.065	0.012	2
700	1	85	LYS	HE3	H	3.065	0.012	2
701	1	85	LYS	C	C	174.037	0.000	1
702	1	85	LYS	CA	C	53.877	0.000	1
703	1	85	LYS	CB	C	35.446	0.104	1
704	1	85	LYS	CG	C	24.509	0.224	1
705	1	85	LYS	CD	C	29.273	0.064	1
706	1	85	LYS	CE	C	42.417	0.001	1
707	1	85	LYS	N	N	119.346	0.050	1
708	1	86	ASP	H	H	7.984	0.004	1
709	1	86	ASP	HA	H	4.552	0.007	1
710	1	86	ASP	HB2	H	2.698	0.011	2
711	1	86	ASP	HB3	H	2.991	0.013	2
712	1	86	ASP	C	C	177.338	0.000	1
713	1	86	ASP	CA	C	55.984	0.000	1
714	1	86	ASP	CB	C	42.008	0.219	1
715	1	86	ASP	N	N	118.624	0.098	1
716	1	87	GLY	H	H	11.350	0.005	1
717	1	87	GLY	HA2	H	3.981	0.006	2
718	1	87	GLY	HA3	H	4.811	0.010	2
719	1	87	GLY	C	C	173.296	0.000	1
720	1	87	GLY	CA	C	44.403	0.086	1
721	1	87	GLY	N	N	115.890	0.059	1
722	1	88	ASN	H	H	8.359	0.006	1
723	1	88	ASN	HA	H	4.970	0.009	1
724	1	88	ASN	HB2	H	2.749	0.009	2
725	1	88	ASN	HB3	H	2.843	0.012	2
726	1	88	ASN	HD21	H	7.518	0.003	1
727	1	88	ASN	HD22	H	6.985	0.006	1
728	1	88	ASN	C	C	175.128	0.000	1
729	1	88	ASN	CA	C	52.064	0.019	1
730	1	88	ASN	CB	C	40.549	0.116	1
731	1	88	ASN	N	N	123.426	0.057	1
732	1	88	ASN	ND2	N	111.628	0.080	1
733	1	89	VAL	H	H	8.836	0.007	1
734	1	89	VAL	HA	H	3.765	0.009	1
735	1	89	VAL	HB	H	1.911	0.007	1
736	1	89	VAL	HG11	H	0.331	0.007	2
737	1	89	VAL	HG12	H	0.331	0.007	2
738	1	89	VAL	HG13	H	0.331	0.007	2
739	1	89	VAL	HG21	H	0.729	0.012	2
740	1	89	VAL	HG22	H	0.729	0.012	2
741	1	89	VAL	HG23	H	0.729	0.012	2
742	1	89	VAL	C	C	176.187	0.000	1
743	1	89	VAL	CA	C	64.422	0.034	1
744	1	89	VAL	CB	C	30.875	0.190	1
745	1	89	VAL	CG1	C	21.217	0.092	2
746	1	89	VAL	CG2	C	21.714	0.055	2
747	1	89	VAL	N	N	126.735	0.038	1
748	1	90	ILE	H	H	9.182	0.006	1
749	1	90	ILE	HA	H	4.298	0.013	1
750	1	90	ILE	HB	H	2.122	0.010	1
751	1	90	ILE	HG12	H	1.572	0.014	2
752	1	90	ILE	HG13	H	2.008	0.007	2
753	1	90	ILE	HG21	H	1.181	0.006	1
754	1	90	ILE	HG22	H	1.181	0.006	1
755	1	90	ILE	HG23	H	1.181	0.006	1
756	1	90	ILE	HD11	H	0.954	0.010	1
757	1	90	ILE	HD12	H	0.954	0.010	1
758	1	90	ILE	HD13	H	0.954	0.010	1
759	1	90	ILE	C	C	176.544	0.000	1
760	1	90	ILE	CA	C	60.597	0.040	1
761	1	90	ILE	CB	C	38.721	0.068	1
762	1	90	ILE	CG1	C	27.709	0.176	1
763	1	90	ILE	CG2	C	18.316	0.034	1
764	1	90	ILE	CD1	C	10.144	0.082	1
765	1	90	ILE	N	N	129.528	0.028	1
766	1	91	GLU	H	H	7.574	0.006	1
767	1	91	GLU	HA	H	4.704	0.010	1
768	1	91	GLU	HB2	H	2.086	0.009	2
769	1	91	GLU	HB3	H	2.419	0.004	2
770	1	91	GLU	HG2	H	2.494	0.007	2
771	1	91	GLU	HG3	H	2.581	0.013	2
772	1	91	GLU	C	C	172.739	0.000	1
773	1	91	GLU	CA	C	55.715	0.000	1
774	1	91	GLU	CB	C	35.790	0.056	1
775	1	91	GLU	CG	C	37.946	0.099	1
776	1	91	GLU	N	N	117.161	0.020	1
777	1	92	LYS	H	H	8.314	0.007	1
778	1	92	LYS	HA	H	4.249	0.006	1
779	1	92	LYS	HB2	H	1.618	0.011	2
780	1	92	LYS	HB3	H	1.796	0.007	2
781	1	92	LYS	HG2	H	1.069	0.006	2
782	1	92	LYS	HG3	H	1.232	0.012	2
783	1	92	LYS	HD2	H	1.537	0.007	2
784	1	92	LYS	HD3	H	1.536	0.007	2
785	1	92	LYS	HE2	H	2.891	0.003	2
786	1	92	LYS	HE3	H	2.892	0.005	2
787	1	92	LYS	C	C	174.004	0.000	1
788	1	92	LYS	CA	C	54.211	0.000	1
789	1	92	LYS	CB	C	35.876	0.092	1
790	1	92	LYS	CG	C	22.886	0.107	1
791	1	92	LYS	CD	C	29.964	0.065	1
792	1	92	LYS	CE	C	42.351	0.053	1
793	1	92	LYS	N	N	119.059	0.055	1
794	1	93	GLY	H	H	7.047	0.005	1
795	1	93	GLY	HA2	H	3.532	0.015	2
796	1	93	GLY	HA3	H	3.685	0.003	2
797	1	93	GLY	C	C	171.241	0.000	1
798	1	93	GLY	CA	C	45.757	0.249	1
799	1	93	GLY	N	N	106.581	0.031	1
800	1	94	PHE	H	H	8.571	0.004	1
801	1	94	PHE	HA	H	5.760	0.014	1
802	1	94	PHE	HB2	H	2.914	0.015	2
803	1	94	PHE	HB3	H	3.190	0.007	2
804	1	94	PHE	HD1	H	7.203	0.009	1
805	1	94	PHE	HD2	H	7.203	0.009	1
806	1	94	PHE	C	C	176.332	0.000	1
807	1	94	PHE	CA	C	56.478	0.055	1
808	1	94	PHE	CB	C	42.364	0.170	1
809	1	94	PHE	CD1	C	132.335	0.084	1
810	1	94	PHE	CD2	C	132.335	0.084	1
811	1	94	PHE	N	N	117.796	0.059	1
812	1	95	VAL	H	H	9.175	0.005	1
813	1	95	VAL	HA	H	3.945	0.010	1
814	1	95	VAL	HB	H	2.094	0.009	1
815	1	95	VAL	HG11	H	0.592	0.009	2
816	1	95	VAL	HG12	H	0.592	0.009	2
817	1	95	VAL	HG13	H	0.592	0.009	2
818	1	95	VAL	HG21	H	1.110	0.021	2
819	1	95	VAL	HG22	H	1.110	0.021	2
820	1	95	VAL	HG23	H	1.110	0.021	2
821	1	95	VAL	CA	C	65.244	0.106	1
822	1	95	VAL	CB	C	31.590	0.071	1
823	1	95	VAL	CG1	C	22.421	0.052	2
824	1	95	VAL	CG2	C	21.843	0.268	2
825	1	95	VAL	N	N	121.876	0.021	1
826	1	97	ASN	HA	H	4.902	0.003	1
827	1	97	ASN	HB2	H	3.082	0.014	2
828	1	97	ASN	HB3	H	3.523	0.009	2
829	1	97	ASN	HD21	H	7.620	0.004	1
830	1	97	ASN	HD22	H	6.897	0.004	1
831	1	97	ASN	C	C	172.907	0.000	1
832	1	97	ASN	CA	C	53.919	0.005	1
833	1	97	ASN	CB	C	37.922	0.132	1
834	1	97	ASN	ND2	N	110.339	0.057	1
835	1	98	GLN	H	H	8.724	0.004	1
836	1	98	GLN	HA	H	4.089	0.009	1
837	1	98	GLN	HB2	H	1.842	0.006	2
838	1	98	GLN	HB3	H	2.125	0.007	2
839	1	98	GLN	HG2	H	1.994	0.005	2
840	1	98	GLN	HG3	H	2.252	0.009	2
841	1	98	GLN	HE21	H	7.572	0.008	1
842	1	98	GLN	HE22	H	6.916	0.004	1
843	1	98	GLN	C	C	176.281	0.000	1
844	1	98	GLN	CA	C	56.212	0.113	1
845	1	98	GLN	CB	C	29.490	0.121	1
846	1	98	GLN	CG	C	33.913	0.196	1
847	1	98	GLN	N	N	129.580	0.090	1
848	1	98	GLN	NE2	N	112.400	0.051	1
849	1	99	ILE	H	H	8.415	0.005	1
850	1	99	ILE	HA	H	4.580	0.007	1
851	1	99	ILE	HB	H	2.032	0.013	1
852	1	99	ILE	HG12	H	0.502	0.022	2
853	1	99	ILE	HG13	H	1.009	0.008	2
854	1	99	ILE	HG21	H	0.788	0.006	1
855	1	99	ILE	HG22	H	0.788	0.006	1
856	1	99	ILE	HG23	H	0.788	0.006	1
857	1	99	ILE	HD11	H	0.780	0.011	1
858	1	99	ILE	HD12	H	0.780	0.011	1
859	1	99	ILE	HD13	H	0.780	0.011	1
860	1	99	ILE	C	C	175.256	0.000	1
861	1	99	ILE	CA	C	61.200	0.000	1
862	1	99	ILE	CB	C	39.335	0.128	1
863	1	99	ILE	CG1	C	26.607	0.129	1
864	1	99	ILE	CG2	C	18.929	0.051	1
865	1	99	ILE	CD1	C	14.696	0.061	1
866	1	99	ILE	N	N	119.957	0.031	1
867	1	100	GLY	H	H	7.910	0.003	1
868	1	100	GLY	HA2	H	3.868	0.010	2
869	1	100	GLY	HA3	H	4.259	0.008	2
870	1	100	GLY	C	C	172.655	0.000	1
871	1	100	GLY	CA	C	44.599	0.036	1
872	1	100	GLY	N	N	110.921	0.038	1
873	1	101	ASP	HA	H	4.311	0.009	1
874	1	101	ASP	HB2	H	2.730	0.020	1
875	1	101	ASP	HB3	H	2.730	0.020	1
876	1	101	ASP	C	C	176.898	0.000	1
877	1	101	ASP	CA	C	58.113	0.000	1
878	1	101	ASP	CB	C	40.814	0.150	1
879	1	102	SER	H	H	8.746	0.006	1
880	1	102	SER	HA	H	4.681	0.006	1
881	1	102	SER	HB2	H	4.236	0.014	2
882	1	102	SER	HB3	H	4.422	0.010	2
883	1	102	SER	C	C	172.499	0.000	1
884	1	102	SER	CA	C	57.618	0.000	1
885	1	102	SER	CB	C	63.993	0.189	1
886	1	102	SER	N	N	112.718	0.021	1
887	1	103	LEU	H	H	6.883	0.004	1
888	1	103	LEU	HA	H	5.421	0.007	1
889	1	103	LEU	HB2	H	1.167	0.012	2
890	1	103	LEU	HB3	H	1.209	0.015	2
891	1	103	LEU	HG	H	1.494	0.007	1
892	1	103	LEU	HD11	H	0.808	0.013	2
893	1	103	LEU	HD12	H	0.808	0.013	2
894	1	103	LEU	HD13	H	0.808	0.013	2
895	1	103	LEU	HD21	H	0.869	0.007	2
896	1	103	LEU	HD22	H	0.869	0.007	2
897	1	103	LEU	HD23	H	0.869	0.007	2
898	1	103	LEU	C	C	175.069	0.000	1
899	1	103	LEU	CA	C	53.780	0.104	1
900	1	103	LEU	CB	C	47.616	0.057	1
901	1	103	LEU	CG	C	26.390	0.055	1
902	1	103	LEU	CD1	C	24.123	0.206	2
903	1	103	LEU	CD2	C	25.089	0.091	2
904	1	103	LEU	N	N	120.441	0.036	1
905	1	104	TYR	H	H	9.400	0.006	1
906	1	104	TYR	HA	H	5.225	0.011	1
907	1	104	TYR	HB2	H	2.393	0.009	2
908	1	104	TYR	HB3	H	2.656	0.010	2
909	1	104	TYR	HD1	H	6.659	0.009	1
910	1	104	TYR	HD2	H	6.659	0.009	1
911	1	104	TYR	HE1	H	6.699	0.008	1
912	1	104	TYR	HE2	H	6.699	0.008	1
913	1	104	TYR	C	C	173.819	0.000	1
914	1	104	TYR	CA	C	56.663	0.025	1
915	1	104	TYR	CB	C	43.735	0.116	1
916	1	104	TYR	CD1	C	132.613	0.051	1
917	1	104	TYR	CD2	C	132.613	0.051	1
918	1	104	TYR	CE1	C	117.219	0.029	1
919	1	104	TYR	CE2	C	117.219	0.029	1
920	1	104	TYR	N	N	122.107	0.028	1
921	1	105	LYS	H	H	8.816	0.005	1
922	1	105	LYS	HA	H	5.407	0.010	1
923	1	105	LYS	HB2	H	1.521	0.011	2
924	1	105	LYS	HB3	H	1.742	0.012	2
925	1	105	LYS	HG2	H	1.174	0.024	2
926	1	105	LYS	HG3	H	1.348	0.004	2
927	1	105	LYS	HD2	H	1.408	0.025	2
928	1	105	LYS	HD3	H	1.414	0.025	2
929	1	105	LYS	HE2	H	2.297	0.008	2
930	1	105	LYS	HE3	H	2.460	0.004	2
931	1	105	LYS	C	C	175.537	0.000	1
932	1	105	LYS	CA	C	54.795	0.101	1
933	1	105	LYS	CB	C	38.216	0.068	1
934	1	105	LYS	CG	C	25.900	0.148	1
935	1	105	LYS	CD	C	29.670	0.158	1
936	1	105	LYS	CE	C	41.845	0.072	1
937	1	105	LYS	N	N	121.583	0.021	1
938	1	106	ILE	H	H	8.939	0.008	1
939	1	106	ILE	HA	H	4.438	0.019	1
940	1	106	ILE	HB	H	0.237	0.005	1
941	1	106	ILE	HG12	H	0.233	0.023	2
942	1	106	ILE	HG13	H	0.234	0.024	2
943	1	106	ILE	HG21	H	0.287	0.006	1
944	1	106	ILE	HG22	H	0.287	0.006	1
945	1	106	ILE	HG23	H	0.287	0.006	1
946	1	106	ILE	HD11	H	-0.307	0.009	1
947	1	106	ILE	HD12	H	-0.307	0.009	1
948	1	106	ILE	HD13	H	-0.307	0.009	1
949	1	106	ILE	C	C	172.997	0.000	1
950	1	106	ILE	CA	C	59.697	0.131	1
951	1	106	ILE	CB	C	39.730	0.066	1
952	1	106	ILE	CG1	C	24.148	0.061	1
953	1	106	ILE	CG2	C	19.307	0.063	1
954	1	106	ILE	CD1	C	13.380	0.059	1
955	1	106	ILE	N	N	122.773	0.059	1
956	1	107	GLU	H	H	8.020	0.007	1
957	1	107	GLU	HA	H	5.380	0.013	1
958	1	107	GLU	HB2	H	1.941	0.009	2
959	1	107	GLU	HB3	H	2.012	0.014	2
960	1	107	GLU	HG2	H	2.111	0.012	2
961	1	107	GLU	HG3	H	2.337	0.016	2
962	1	107	GLU	C	C	175.041	0.000	1
963	1	107	GLU	CA	C	54.554	0.119	1
964	1	107	GLU	CB	C	34.148	0.089	1
965	1	107	GLU	CG	C	36.087	0.187	1
966	1	107	GLU	N	N	120.946	0.017	1
967	1	108	THR	H	H	8.570	0.005	1
968	1	108	THR	HA	H	4.666	0.003	1
969	1	108	THR	HB	H	4.789	0.014	1
970	1	108	THR	HG21	H	1.329	0.008	1
971	1	108	THR	HG22	H	1.329	0.008	1
972	1	108	THR	HG23	H	1.329	0.008	1
973	1	108	THR	C	C	175.161	0.000	1
974	1	108	THR	CA	C	61.691	0.000	1
975	1	108	THR	CB	C	69.340	0.000	1
976	1	108	THR	CG2	C	23.992	0.029	1
977	1	108	THR	N	N	113.402	0.029	1
978	1	109	LYS	H	H	11.446	0.009	1
979	1	109	LYS	HA	H	4.312	0.005	1
980	1	109	LYS	HB2	H	2.086	0.004	2
981	1	109	LYS	HB3	H	2.009	0.006	2
982	1	109	LYS	HG2	H	1.674	0.007	2
983	1	109	LYS	HG3	H	1.774	0.010	2
984	1	109	LYS	HD2	H	1.869	0.011	1
985	1	109	LYS	HD3	H	1.869	0.011	1
986	1	109	LYS	HE2	H	3.193	0.002	1
987	1	109	LYS	HE3	H	3.193	0.002	1
988	1	109	LYS	C	C	178.871	0.000	1
989	1	109	LYS	CA	C	57.797	0.002	1
990	1	109	LYS	CB	C	33.203	0.068	1
991	1	109	LYS	CG	C	25.479	0.081	1
992	1	109	LYS	CD	C	29.181	0.112	1
993	1	109	LYS	CE	C	42.168	0.000	1
994	1	109	LYS	N	N	126.667	0.038	1
995	1	110	LYS	H	H	8.559	0.008	1
996	1	110	LYS	HA	H	4.518	0.008	1
997	1	110	LYS	HB2	H	1.764	0.011	2
998	1	110	LYS	HB3	H	1.835	0.019	2
999	1	110	LYS	HG2	H	1.506	0.008	1
1000	1	110	LYS	HG3	H	1.506	0.008	1
1001	1	110	LYS	HD2	H	1.783	0.016	2
1002	1	110	LYS	HD3	H	1.790	0.014	2
1003	1	110	LYS	HE2	H	3.106	0.021	2
1004	1	110	LYS	HE3	H	3.101	0.020	2
1005	1	110	LYS	C	C	175.741	0.000	1
1006	1	110	LYS	CA	C	54.669	0.000	1
1007	1	110	LYS	CB	C	33.890	0.126	1
1008	1	110	LYS	CG	C	25.510	0.000	1
1009	1	110	LYS	CD	C	28.937	0.000	1
1010	1	110	LYS	CE	C	42.316	0.100	1
1011	1	110	LYS	N	N	118.765	0.125	1
1012	1	111	LYS	H	H	8.389	0.006	1
1013	1	111	LYS	HA	H	3.913	0.009	1
1014	1	111	LYS	HB2	H	1.458	0.005	2
1015	1	111	LYS	HB3	H	1.786	0.016	2
1016	1	111	LYS	HG2	H	1.214	0.016	2
1017	1	111	LYS	HG3	H	1.607	0.008	2
1018	1	111	LYS	HD2	H	1.543	0.006	2
1019	1	111	LYS	HD3	H	1.638	0.002	2
1020	1	111	LYS	HE2	H	3.003	0.010	2
1021	1	111	LYS	HE3	H	3.006	0.006	2
1022	1	111	LYS	C	C	176.689	0.000	1
1023	1	111	LYS	CA	C	56.301	0.055	1
1024	1	111	LYS	CB	C	33.506	0.234	1
1025	1	111	LYS	CG	C	25.743	0.102	1
1026	1	111	LYS	CD	C	29.843	0.091	1
1027	1	111	LYS	CE	C	42.282	0.098	1
1028	1	111	LYS	N	N	118.782	0.018	1
1029	1	112	MET	H	H	8.173	0.011	1
1030	1	112	MET	HE1	H	1.943	0.005	1
1031	1	112	MET	HE2	H	1.943	0.005	1
1032	1	112	MET	HE3	H	1.943	0.005	1
1033	1	112	MET	C	C	176.989	0.000	1
1034	1	112	MET	CA	C	56.107	0.000	1
1035	1	112	MET	CB	C	35.355	0.000	1
1036	1	112	MET	CE	C	20.199	0.043	1
1037	1	112	MET	N	N	122.518	0.035	1
1038	1	114	PRO	HA	H	4.277	0.009	1
1039	1	114	PRO	HB2	H	1.956	0.004	2
1040	1	114	PRO	HB3	H	2.299	0.016	2
1041	1	114	PRO	HD2	H	3.717	0.007	2
1042	1	114	PRO	HD3	H	3.717	0.007	2
1043	1	114	PRO	C	C	175.916	0.000	1
1044	1	114	PRO	CA	C	65.064	0.061	1
1045	1	114	PRO	CB	C	31.903	0.191	1
1046	1	114	PRO	CG	C	28.286	0.000	1
1047	1	114	PRO	CD	C	50.450	0.109	1
1048	1	115	GLY	H	H	8.652	0.004	1
1049	1	115	GLY	HA2	H	3.870	0.011	2
1050	1	115	GLY	HA3	H	4.086	0.007	2
1051	1	115	GLY	C	C	169.790	0.000	1
1052	1	115	GLY	CA	C	44.683	0.213	1
1053	1	115	GLY	N	N	108.969	0.025	1
1054	1	116	ILE	H	H	8.376	0.006	1
1055	1	116	ILE	HA	H	4.908	0.006	1
1056	1	116	ILE	HB	H	1.436	0.012	1
1057	1	116	ILE	HG12	H	0.852	0.006	2
1058	1	116	ILE	HG13	H	1.581	0.009	2
1059	1	116	ILE	HG21	H	0.709	0.006	1
1060	1	116	ILE	HG22	H	0.709	0.006	1
1061	1	116	ILE	HG23	H	0.709	0.006	1
1062	1	116	ILE	HD11	H	0.763	0.009	1
1063	1	116	ILE	HD12	H	0.763	0.009	1
1064	1	116	ILE	HD13	H	0.763	0.009	1
1065	1	116	ILE	C	C	174.408	0.000	1
1066	1	116	ILE	CA	C	59.953	0.058	1
1067	1	116	ILE	CB	C	39.518	0.108	1
1068	1	116	ILE	CG1	C	27.691	0.149	1
1069	1	116	ILE	CG2	C	18.845	0.040	1
1070	1	116	ILE	CD1	C	14.100	0.123	1
1071	1	116	ILE	N	N	120.354	0.060	1
1072	1	117	TYR	H	H	9.227	0.007	1
1073	1	117	TYR	HA	H	6.006	0.007	1
1074	1	117	TYR	HB2	H	2.406	0.009	2
1075	1	117	TYR	HB3	H	2.875	0.008	2
1076	1	117	TYR	HD1	H	6.893	0.010	1
1077	1	117	TYR	HD2	H	6.893	0.010	1
1078	1	117	TYR	HE1	H	6.742	0.009	1
1079	1	117	TYR	HE2	H	6.742	0.009	1
1080	1	117	TYR	C	C	175.466	0.000	1
1081	1	117	TYR	CA	C	56.003	0.077	1
1082	1	117	TYR	CB	C	44.730	0.096	1
1083	1	117	TYR	CD1	C	133.717	0.046	1
1084	1	117	TYR	CD2	C	133.717	0.046	1
1085	1	117	TYR	CE1	C	117.229	0.017	1
1086	1	117	TYR	CE2	C	117.229	0.017	1
1087	1	117	TYR	N	N	123.377	0.034	1
1088	1	118	ALA	H	H	9.004	0.006	1
1089	1	118	ALA	HA	H	4.504	0.019	1
1090	1	118	ALA	HB1	H	1.549	0.013	1
1091	1	118	ALA	HB2	H	1.549	0.013	1
1092	1	118	ALA	HB3	H	1.549	0.013	1
1093	1	118	ALA	C	C	176.144	0.000	1
1094	1	118	ALA	CA	C	53.339	0.000	1
1095	1	118	ALA	CB	C	24.792	0.130	1
1096	1	118	ALA	N	N	118.185	0.028	1
1097	1	119	PHE	H	H	8.627	0.006	1
1098	1	119	PHE	HA	H	5.597	0.010	1
1099	1	119	PHE	HB2	H	2.657	0.012	2
1100	1	119	PHE	HB3	H	2.892	0.011	2
1101	1	119	PHE	HD1	H	7.048	0.009	1
1102	1	119	PHE	HD2	H	7.048	0.009	1
1103	1	119	PHE	C	C	173.341	0.000	1
1104	1	119	PHE	CA	C	58.529	0.105	1
1105	1	119	PHE	CB	C	42.579	0.142	1
1106	1	119	PHE	CD1	C	132.635	0.052	1
1107	1	119	PHE	CD2	C	132.635	0.052	1
1108	1	119	PHE	N	N	119.248	0.022	1
1109	1	120	LYS	H	H	9.761	0.005	1
1110	1	120	LYS	HA	H	4.558	0.021	1
1111	1	120	LYS	HB2	H	0.333	0.012	2
1112	1	120	LYS	HB3	H	1.360	0.008	2
1113	1	120	LYS	HG2	H	-0.792	0.011	2
1114	1	120	LYS	HG3	H	-0.320	0.009	2
1115	1	120	LYS	HD2	H	0.370	0.008	2
1116	1	120	LYS	HD3	H	0.700	0.009	2
1117	1	120	LYS	HE2	H	0.805	0.002	2
1118	1	120	LYS	HE3	H	0.938	0.007	2
1119	1	120	LYS	C	C	175.488	0.000	1
1120	1	120	LYS	CA	C	55.134	0.019	1
1121	1	120	LYS	CB	C	37.108	0.103	1
1122	1	120	LYS	CG	C	25.418	0.081	1
1123	1	120	LYS	CD	C	30.316	0.114	1
1124	1	120	LYS	CE	C	40.840	0.069	1
1125	1	120	LYS	N	N	125.401	0.032	1
1126	1	121	VAL	H	H	9.083	0.005	1
1127	1	121	VAL	HA	H	5.172	0.009	1
1128	1	121	VAL	HB	H	2.066	0.011	1
1129	1	121	VAL	HG11	H	0.938	0.018	2
1130	1	121	VAL	HG12	H	0.938	0.018	2
1131	1	121	VAL	HG13	H	0.938	0.018	2
1132	1	121	VAL	HG21	H	1.130	0.014	2
1133	1	121	VAL	HG22	H	1.130	0.014	2
1134	1	121	VAL	HG23	H	1.130	0.014	2
1135	1	121	VAL	C	C	176.650	0.000	1
1136	1	121	VAL	CA	C	61.442	0.048	1
1137	1	121	VAL	CB	C	34.090	0.105	1
1138	1	121	VAL	CG1	C	21.202	0.106	2
1139	1	121	VAL	CG2	C	21.415	0.131	2
1140	1	121	VAL	N	N	125.676	0.038	1
1141	1	122	TYR	H	H	9.828	0.006	1
1142	1	122	TYR	HA	H	4.834	0.009	1
1143	1	122	TYR	HB2	H	2.976	0.019	2
1144	1	122	TYR	HB3	H	3.193	0.011	2
1145	1	122	TYR	HD1	H	7.235	0.011	1
1146	1	122	TYR	HD2	H	7.235	0.011	1
1147	1	122	TYR	HE1	H	6.615	0.007	1
1148	1	122	TYR	HE2	H	6.615	0.007	1
1149	1	122	TYR	C	C	175.093	0.000	1
1150	1	122	TYR	CA	C	58.345	0.000	1
1151	1	122	TYR	CB	C	40.320	0.133	1
1152	1	122	TYR	CD1	C	133.842	0.141	1
1153	1	122	TYR	CD2	C	133.842	0.141	1
1154	1	122	TYR	CE1	C	117.181	0.048	1
1155	1	122	TYR	CE2	C	117.181	0.048	1
1156	1	122	TYR	N	N	130.122	0.025	1
1157	1	123	LYS	H	H	7.807	0.009	1
1158	1	123	LYS	HA	H	3.544	0.005	1
1159	1	123	LYS	HB2	H	0.821	0.008	2
1160	1	123	LYS	HB3	H	1.462	0.014	2
1161	1	123	LYS	HG2	H	1.031	0.016	2
1162	1	123	LYS	HG3	H	1.031	0.016	2
1163	1	123	LYS	HD2	H	0.083	0.010	2
1164	1	123	LYS	HD3	H	1.379	0.006	2
1165	1	123	LYS	HE2	H	2.551	0.001	2
1166	1	123	LYS	HE3	H	3.081	0.015	2
1167	1	123	LYS	C	C	175.299	0.000	1
1168	1	123	LYS	CA	C	52.644	0.087	1
1169	1	123	LYS	CB	C	29.759	0.091	1
1170	1	123	LYS	CG	C	25.153	0.107	1
1171	1	123	LYS	CD	C	26.962	0.104	1
1172	1	123	LYS	CE	C	42.815	0.192	1
1173	1	123	LYS	N	N	116.896	0.037	1
1174	1	124	PRO	HA	H	4.439	0.009	1
1175	1	124	PRO	HB2	H	1.386	0.010	2
1176	1	124	PRO	HB3	H	1.386	0.010	2
1177	1	124	PRO	HG2	H	1.162	0.008	2
1178	1	124	PRO	HG3	H	1.161	0.009	2
1179	1	124	PRO	HD2	H	0.557	0.011	2
1180	1	124	PRO	HD3	H	2.207	0.006	2
1181	1	124	PRO	C	C	175.809	0.000	1
1182	1	124	PRO	CA	C	61.562	0.093	1
1183	1	124	PRO	CB	C	32.987	0.069	1
1184	1	124	PRO	CG	C	26.698	0.114	1
1185	1	124	PRO	CD	C	47.802	0.057	1
1186	1	125	ALA	H	H	8.288	0.004	1
1187	1	125	ALA	HA	H	4.112	0.003	1
1188	1	125	ALA	HB1	H	1.379	0.005	1
1189	1	125	ALA	HB2	H	1.379	0.005	1
1190	1	125	ALA	HB3	H	1.379	0.005	1
1191	1	125	ALA	C	C	178.547	0.000	1
1192	1	125	ALA	CA	C	53.472	0.054	1
1193	1	125	ALA	CB	C	18.478	0.069	1
1194	1	125	ALA	N	N	122.431	0.081	1
1195	1	126	GLY	H	H	8.813	0.004	1
1196	1	126	GLY	HA2	H	3.625	0.009	2
1197	1	126	GLY	HA3	H	4.103	0.015	2
1198	1	126	GLY	C	C	172.181	0.000	1
1199	1	126	GLY	CA	C	45.406	0.114	1
1200	1	126	GLY	N	N	109.861	0.033	1
1201	1	127	TYR	H	H	7.310	0.014	1
1202	1	127	TYR	HA	H	2.736	0.030	1
1203	1	127	TYR	HB2	H	2.212	0.008	2
1204	1	127	TYR	HB3	H	2.436	0.015	2
1205	1	127	TYR	HD1	H	6.748	0.013	1
1206	1	127	TYR	HD2	H	6.748	0.013	1
1207	1	127	TYR	HE1	H	7.185	0.007	1
1208	1	127	TYR	HE2	H	7.185	0.007	1
1209	1	127	TYR	C	C	173.886	0.000	1
1210	1	127	TYR	CA	C	56.547	0.111	1
1211	1	127	TYR	CB	C	39.494	0.101	1
1212	1	127	TYR	CD1	C	133.777	0.054	1
1213	1	127	TYR	CD2	C	133.777	0.054	1
1214	1	127	TYR	CE1	C	118.327	0.048	1
1215	1	127	TYR	CE2	C	118.327	0.048	1
1216	1	127	TYR	N	N	122.906	0.053	1
1217	1	128	PRO	HA	H	4.069	0.013	1
1218	1	128	PRO	HB2	H	1.593	0.017	2
1219	1	128	PRO	HB3	H	1.986	0.006	2
1220	1	128	PRO	HG2	H	1.423	0.017	1
1221	1	128	PRO	HG3	H	1.423	0.017	1
1222	1	128	PRO	HD2	H	0.762	0.009	2
1223	1	128	PRO	HD3	H	1.716	0.012	2
1224	1	128	PRO	C	C	175.969	0.000	1
1225	1	128	PRO	CA	C	64.077	0.072	1
1226	1	128	PRO	CB	C	31.449	0.204	1
1227	1	128	PRO	CG	C	27.608	0.105	1
1228	1	128	PRO	CD	C	49.384	0.104	1
1229	1	129	ALA	H	H	8.294	0.011	1
1230	1	129	ALA	HA	H	4.289	0.007	1
1231	1	129	ALA	HB1	H	1.483	0.011	1
1232	1	129	ALA	HB2	H	1.483	0.011	1
1233	1	129	ALA	HB3	H	1.483	0.011	1
1234	1	129	ALA	C	C	176.852	0.000	1
1235	1	129	ALA	CA	C	52.100	0.075	1
1236	1	129	ALA	CB	C	19.335	0.116	1
1237	1	129	ALA	N	N	125.723	0.052	1
1238	1	130	ASN	H	H	8.171	0.014	1
1239	1	130	ASN	HA	H	4.503	0.001	1
1240	1	130	ASN	HB2	H	2.741	0.011	2
1241	1	130	ASN	HB3	H	2.916	0.005	2
1242	1	130	ASN	C	C	175.898	0.000	1
1243	1	130	ASN	CA	C	55.290	0.000	1
1244	1	130	ASN	CB	C	40.810	0.087	1
1245	1	130	ASN	N	N	122.916	0.046	1
1246	1	131	GLY	H	H	8.455	0.004	1
1247	1	131	GLY	HA2	H	4.093	0.003	2
1248	1	131	GLY	HA3	H	4.187	0.000	2
1249	1	131	GLY	C	C	174.463	0.009	1
1250	1	131	GLY	CA	C	45.208	0.035	1
1251	1	131	GLY	N	N	114.577	0.048	1
1252	1	132	SER	H	H	8.574	0.011	1
1253	1	132	SER	HA	H	4.706	0.006	1
1254	1	132	SER	HB2	H	4.235	0.000	2
1255	1	132	SER	HB3	H	4.432	0.001	2
1256	1	132	SER	CA	C	58.161	0.000	1
1257	1	132	SER	CB	C	63.873	0.035	1
1258	1	132	SER	N	N	115.154	0.016	1
1259	1	133	THR	HA	H	4.604	0.010	1
1260	1	133	THR	HB	H	4.268	0.002	1
1261	1	133	THR	HG21	H	1.335	0.028	1
1262	1	133	THR	HG22	H	1.335	0.028	1
1263	1	133	THR	HG23	H	1.335	0.028	1
1264	1	133	THR	C	C	173.412	0.000	1
1265	1	133	THR	CA	C	62.724	0.000	1
1266	1	133	THR	CB	C	69.545	0.000	1
1267	1	133	THR	CG2	C	22.191	0.176	1
1268	1	134	PHE	H	H	7.227	0.008	1
1269	1	134	PHE	HA	H	5.405	0.007	1
1270	1	134	PHE	HB2	H	2.003	0.014	2
1271	1	134	PHE	HB3	H	2.453	0.014	2
1272	1	134	PHE	HD1	H	6.648	0.013	1
1273	1	134	PHE	HD2	H	6.648	0.013	1
1274	1	134	PHE	C	C	173.209	0.000	1
1275	1	134	PHE	CA	C	55.395	0.115	1
1276	1	134	PHE	CB	C	41.465	0.111	1
1277	1	134	PHE	CD1	C	132.621	0.049	1
1278	1	134	PHE	CD2	C	132.621	0.049	1
1279	1	134	PHE	N	N	115.406	0.025	1
1280	1	135	GLU	H	H	8.888	0.006	1
1281	1	135	GLU	HA	H	4.706	0.008	1
1282	1	135	GLU	HB2	H	2.038	0.011	2
1283	1	135	GLU	HB3	H	2.037	0.013	2
1284	1	135	GLU	HG2	H	2.419	0.014	2
1285	1	135	GLU	HG3	H	2.431	0.012	2
1286	1	135	GLU	C	C	174.024	0.000	1
1287	1	135	GLU	CA	C	55.276	0.000	1
1288	1	135	GLU	CB	C	34.433	0.041	1
1289	1	135	GLU	CG	C	36.494	0.114	1
1290	1	135	GLU	N	N	120.353	0.044	1
1291	1	136	TRP	H	H	8.879	0.007	1
1292	1	136	TRP	HA	H	5.893	0.018	1
1293	1	136	TRP	HB2	H	3.793	0.008	2
1294	1	136	TRP	HB3	H	3.048	0.013	2
1295	1	136	TRP	HD1	H	7.451	0.007	1
1296	1	136	TRP	HE1	H	9.566	0.008	1
1297	1	136	TRP	HE3	H	7.451	0.006	1
1298	1	136	TRP	HZ2	H	6.946	0.008	1
1299	1	136	TRP	HZ3	H	6.582	0.008	1
1300	1	136	TRP	HH2	H	6.045	0.007	1
1301	1	136	TRP	C	C	178.901	0.000	1
1302	1	136	TRP	CA	C	56.382	0.058	1
1303	1	136	TRP	CB	C	33.296	0.093	1
1304	1	136	TRP	CD1	C	126.568	0.052	1
1305	1	136	TRP	CE3	C	121.353	0.030	1
1306	1	136	TRP	CZ2	C	113.452	0.063	1
1307	1	136	TRP	CZ3	C	121.014	0.068	1
1308	1	136	TRP	CH2	C	124.912	0.034	1
1309	1	136	TRP	N	N	124.162	0.021	1
1310	1	136	TRP	NE1	N	127.726	0.064	1
1311	1	137	SER	H	H	9.672	0.005	1
1312	1	137	SER	HA	H	4.716	0.009	1
1313	1	137	SER	HB2	H	4.107	0.011	2
1314	1	137	SER	HB3	H	5.173	0.009	2
1315	1	137	SER	C	C	174.031	0.000	1
1316	1	137	SER	CA	C	58.521	0.000	1
1317	1	137	SER	CB	C	65.697	0.125	1
1318	1	137	SER	N	N	116.287	0.029	1
1319	1	138	GLU	H	H	8.265	0.006	1
1320	1	138	GLU	HA	H	4.086	0.004	1
1321	1	138	GLU	HB2	H	1.749	0.012	2
1322	1	138	GLU	HB3	H	2.234	0.013	2
1323	1	138	GLU	HG2	H	2.487	0.008	2
1324	1	138	GLU	HG3	H	2.597	0.006	2
1325	1	138	GLU	C	C	176.986	0.000	1
1326	1	138	GLU	CA	C	55.368	0.000	1
1327	1	138	GLU	CB	C	28.621	0.126	1
1328	1	138	GLU	CG	C	35.672	0.112	1
1329	1	138	GLU	N	N	117.468	0.034	1
1330	1	139	PRO	HA	H	4.984	0.012	1
1331	1	139	PRO	HB2	H	1.834	0.008	2
1332	1	139	PRO	HB3	H	1.874	0.010	2
1333	1	139	PRO	HG2	H	2.017	0.005	2
1334	1	139	PRO	HG3	H	2.285	0.009	2
1335	1	139	PRO	HD2	H	3.733	0.009	2
1336	1	139	PRO	HD3	H	4.045	0.006	2
1337	1	139	PRO	C	C	176.087	0.000	1
1338	1	139	PRO	CA	C	62.427	0.013	1
1339	1	139	PRO	CB	C	31.954	0.076	1
1340	1	139	PRO	CG	C	27.867	0.130	1
1341	1	139	PRO	CD	C	50.114	0.084	1
1342	1	140	MET	H	H	9.804	0.005	1
1343	1	140	MET	HA	H	4.683	0.011	1
1344	1	140	MET	HB2	H	1.886	0.010	2
1345	1	140	MET	HB3	H	2.000	0.011	2
1346	1	140	MET	HG2	H	2.502	0.014	2
1347	1	140	MET	HG3	H	2.925	0.009	2
1348	1	140	MET	HE1	H	2.110	0.006	1
1349	1	140	MET	HE2	H	2.110	0.006	1
1350	1	140	MET	HE3	H	2.110	0.006	1
1351	1	140	MET	C	C	173.894	0.000	1
1352	1	140	MET	CA	C	54.304	0.000	1
1353	1	140	MET	CB	C	35.954	0.020	1
1354	1	140	MET	CG	C	31.124	0.093	1
1355	1	140	MET	CE	C	17.583	0.040	1
1356	1	140	MET	N	N	123.163	0.024	1
1357	1	141	ARG	H	H	8.723	0.004	1
1358	1	141	ARG	HA	H	5.191	0.006	1
1359	1	141	ARG	HB2	H	1.690	0.012	2
1360	1	141	ARG	HB3	H	1.896	0.010	2
1361	1	141	ARG	HG2	H	1.382	0.008	2
1362	1	141	ARG	HG3	H	1.581	0.006	2
1363	1	141	ARG	HD2	H	3.222	0.010	2
1364	1	141	ARG	HD3	H	3.222	0.010	2
1365	1	141	ARG	C	C	174.670	0.000	1
1366	1	141	ARG	CA	C	54.983	0.000	1
1367	1	141	ARG	CB	C	32.674	0.084	1
1368	1	141	ARG	CG	C	27.882	0.141	1
1369	1	141	ARG	CD	C	43.495	0.163	1
1370	1	141	ARG	N	N	124.604	0.020	1
1371	1	142	LEU	H	H	9.350	0.005	1
1372	1	142	LEU	HA	H	5.207	0.013	1
1373	1	142	LEU	HB2	H	1.454	0.007	2
1374	1	142	LEU	HB3	H	2.076	0.007	2
1375	1	142	LEU	HG	H	1.649	0.008	1
1376	1	142	LEU	HD11	H	0.818	0.014	2
1377	1	142	LEU	HD12	H	0.818	0.014	2
1378	1	142	LEU	HD13	H	0.818	0.014	2
1379	1	142	LEU	HD21	H	0.949	0.013	2
1380	1	142	LEU	HD22	H	0.949	0.013	2
1381	1	142	LEU	HD23	H	0.949	0.013	2
1382	1	142	LEU	C	C	176.695	0.000	1
1383	1	142	LEU	CA	C	52.847	0.000	1
1384	1	142	LEU	CB	C	44.756	0.089	1
1385	1	142	LEU	CG	C	27.691	0.014	1
1386	1	142	LEU	CD1	C	24.414	0.096	2
1387	1	142	LEU	CD2	C	27.684	0.077	2
1388	1	142	LEU	N	N	125.650	0.035	1
1389	1	143	ALA	H	H	9.096	0.006	1
1390	1	143	ALA	HA	H	4.547	0.012	1
1391	1	143	ALA	HB1	H	1.416	0.012	1
1392	1	143	ALA	HB2	H	1.416	0.012	1
1393	1	143	ALA	HB3	H	1.416	0.012	1
1394	1	143	ALA	C	C	176.056	0.000	1
1395	1	143	ALA	CA	C	51.105	0.000	1
1396	1	143	ALA	CB	C	21.577	0.112	1
1397	1	143	ALA	N	N	127.177	0.046	1
1398	1	144	LYS	H	H	8.665	0.004	1
1399	1	144	LYS	HA	H	4.580	0.011	1
1400	1	144	LYS	HB2	H	1.659	0.006	2
1401	1	144	LYS	HB3	H	2.029	0.006	2
1402	1	144	LYS	HG2	H	1.443	0.003	2
1403	1	144	LYS	HG3	H	1.517	0.006	2
1404	1	144	LYS	HD2	H	1.761	0.013	1
1405	1	144	LYS	HD3	H	1.761	0.013	1
1406	1	144	LYS	HE2	H	3.103	0.021	1
1407	1	144	LYS	HE3	H	3.103	0.021	1
1408	1	144	LYS	C	C	176.455	0.000	1
1409	1	144	LYS	CA	C	56.018	0.000	1
1410	1	144	LYS	CB	C	33.000	0.162	1
1411	1	144	LYS	CG	C	25.186	0.206	1
1412	1	144	LYS	CD	C	29.390	0.025	1
1413	1	144	LYS	CE	C	42.383	0.105	1
1414	1	144	LYS	N	N	121.958	0.020	1
1415	1	145	CYS	H	H	9.451	0.002	1
1416	1	145	CYS	HA	H	4.757	0.002	1
1417	1	145	CYS	HB2	H	3.258	0.003	2
1418	1	145	CYS	HB3	H	3.639	0.011	2
1419	1	145	CYS	C	C	173.276	0.000	1
1420	1	145	CYS	CA	C	54.009	0.000	1
1421	1	145	CYS	CB	C	42.656	0.073	1
1422	1	145	CYS	N	N	126.874	0.023	1
1423	1	146	ASP	H	H	8.450	0.006	1
1424	1	146	ASP	HA	H	4.725	0.006	1
1425	1	146	ASP	HB2	H	2.715	0.016	2
1426	1	146	ASP	HB3	H	2.801	0.012	2
1427	1	146	ASP	C	C	175.106	0.000	1
1428	1	146	ASP	CA	C	54.403	0.000	1
1429	1	146	ASP	CB	C	41.250	0.117	1
1430	1	146	ASP	N	N	121.022	0.039	1
1431	1	147	GLU	H	H	8.055	0.001	1
1432	1	147	GLU	HA	H	4.185	0.000	1
1433	1	147	GLU	HB2	H	1.957	0.006	2
1434	1	147	GLU	HB3	H	2.107	0.007	2
1435	1	147	GLU	HG2	H	2.265	0.005	2
1436	1	147	GLU	HG3	H	2.265	0.005	2
1437	1	147	GLU	C	C	173.258	0.000	1
1438	1	147	GLU	CA	C	58.213	0.000	1
1439	1	147	GLU	CB	C	31.631	0.128	1
1440	1	147	GLU	N	N	125.487	0.021	1

Protein Blocks Logo

Calculated from 15 models in PDB: 6QAY, Strand ID: A Detail

Release date

2020-01-20

Citation

TapA acts as specific chaperone in TasA filament formation by strand complementation
Roske, Y., Lindemann, F., Diehl, A., Cremer, N., Higman, V.A., Schlegel, B., Leidert, M., Driller, K., Turgay, K., Schmieder, P., Heinemann, U., Oschkinat, H.
Proc. Natl. Acad. Sci. U. S. A. (2023), 120, e2217070120-e2217070120, PubMed 37068239 , DOI 10.1073/pnas.2217070120 , Abstract

Related entities 1. TasA anchoring/assembly protein, : 1 : 1 : 1 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 7, Details 1 mM [U-99% 15N] TasA anchoring/assembly protein, 50 mM sodium chloride, 20 mM potassium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	TasA anchoring/assembly protein	[U-99% 15N]	1 mM
2	sodium chloride	natural abundance	50 mM
3	potassium phosphate	natural abundance	20 mM

2 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	TasA anchoring/assembly protein	[U-99% 15N]	1 mM
2	sodium chloride	natural abundance	50 mM
3	potassium phosphate	natural abundance	20 mM

3 2D 1H-13C HSQC

Instrument

Bruker AVANCE - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 7, Details 0.54 mM [U-99% 13C; U-99% 15N] TasA anchoring/assembly protein, 50 mM sodium chloride, 20 mM potassium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
4	TasA anchoring/assembly protein	[U-99% 13C; U-99% 15N]	0.54 mM
5	sodium chloride	natural abundance	50 mM
6	potassium phosphate	natural abundance	20 mM

4 3D 1H-13C NOESY

Instrument

Bruker AVANCE - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
4	TasA anchoring/assembly protein	[U-99% 13C; U-99% 15N]	0.54 mM
5	sodium chloride	natural abundance	50 mM
6	potassium phosphate	natural abundance	20 mM

5 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	TasA anchoring/assembly protein	[U-99% 13C; U-99% 15N]	0.54 mM
5	sodium chloride	natural abundance	50 mM
6	potassium phosphate	natural abundance	20 mM

6 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	TasA anchoring/assembly protein	[U-99% 13C; U-99% 15N]	0.54 mM
5	sodium chloride	natural abundance	50 mM
6	potassium phosphate	natural abundance	20 mM

7 3D C(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	TasA anchoring/assembly protein	[U-99% 13C; U-99% 15N]	0.54 mM
5	sodium chloride	natural abundance	50 mM
6	potassium phosphate	natural abundance	20 mM

8 3D HN(CO)CA

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	TasA anchoring/assembly protein	[U-99% 13C; U-99% 15N]	0.54 mM
5	sodium chloride	natural abundance	50 mM
6	potassium phosphate	natural abundance	20 mM

9 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	TasA anchoring/assembly protein	[U-99% 13C; U-99% 15N]	0.54 mM
5	sodium chloride	natural abundance	50 mM
6	potassium phosphate	natural abundance	20 mM

10 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	TasA anchoring/assembly protein	[U-99% 13C; U-99% 15N]	0.54 mM
5	sodium chloride	natural abundance	50 mM
6	potassium phosphate	natural abundance	20 mM

11 3D HBHA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	TasA anchoring/assembly protein	[U-99% 13C; U-99% 15N]	0.54 mM
5	sodium chloride	natural abundance	50 mM
6	potassium phosphate	natural abundance	20 mM

12 3D H(CCO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	TasA anchoring/assembly protein	[U-99% 13C; U-99% 15N]	0.54 mM
5	sodium chloride	natural abundance	50 mM
6	potassium phosphate	natural abundance	20 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_34341_6qay.nef
Input source #2: Coordindates	6qay.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

-----50--------60--------70--------80--------90-------100-------110-------120-------130-------140---
AFHDIETFDVSLQTCKDFQHTDKNCHYDKRWDQSDLHISDQTDTKGTVCSPFALFAVLENTGEKLKKSKWKWELHKLENARKPLKDGNVIEKGFVSNQIG
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
AFHDIETFDVSLQTCKDFQHTDKNCHYDKRWDQSDLHISDQTDTKGTVCSPFALFAVLENTGEKLKKSKWKWELHKLENARKPLKDGNVIEKGFVSNQIG
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

----150-------160-------170-------180-------190
DSLYKIETKKKMKPGIYAFKVYKPAGYPANGSTFEWSEPMRLAKCDE
|||||||||||||||||||||||||||||||||||||||||||||||
DSLYKIETKKKMKPGIYAFKVYKPAGYPANGSTFEWSEPMRLAKCDE
-------110-------120-------130-------140-------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	147	0	0	100.0

Content subtype: combined_34341_6qay.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1334		78.2 (chain: A, length: 147)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	4767 (1)	noe	78.2 (chain: A, length: 147)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	168 (168)	.	76.2 (chain: A, length: 147)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 147, Sequence coverage: 78.2%
- Total number of assignments
  - ¹H chemical shifts: 698
  - ¹³C chemical shifts: 522
  - ¹⁵N chemical shifts: 114
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
118	HIS	HE2	11.802
118	HIS	NE2	167.195

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	937	697	74.4
¹³C chemical shifts	692	522	75.4
¹⁵N chemical shifts	159	113	71.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	296	227	76.7
¹³C chemical shifts	294	227	77.2
¹⁵N chemical shifts	141	105	74.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	641	470	73.3
¹³C chemical shifts	398	295	74.1
¹⁵N chemical shifts	18	8	44.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	63	53	84.1
¹³C chemical shifts	63	53	84.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	94	56	59.6
¹³C chemical shifts	90	52	57.8
¹⁵N chemical shifts	4	4	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_3
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 147, Sequence coverage: 78.2%
- Total number of restraints: 4694
- Weight of restraints: 1.0 (4694)
- Potential type of restraints: square-well-parabolic (4694)
- Range of distance target values: 1.37, 6.86 (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: CNS/XPLOR_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 147, Sequence coverage: 76.2%
- Total number of restraints: 168
- Total number of restraints per polymer type: 168
- Weight of restraints: 1.0 (168)
- Potential type of restraints: square-well-parabolic (168)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords PROTEIN FIBRIL, TapA, TasA, anchoring, biofilm

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.656 seconds)

BMRB: 34341

Related entities 1. TasA anchoring/assembly protein, : 1 : 1 : 1 entities Detail

Experiments performed 12 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 4 contents Detail