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BMRB: 34551

7A0I

NMR structure of flagelliform spidroin (FlagSp) N-terminal domain from Trichonephila clavipes at pH 5.5

Authors

Sarr, M., Kitoka, K., Walsh-White, K.A., Kaldmae, M., Landreh, M., Rising, A., Johansson, J., Jaudzems, K., Kronqvist, N.

Assembly

Flagelliform spidroin variant 1

Entity

1. Flagelliform spidroin variant 1 (polymer, Thiol state: not present), 135 monomers, 14245.52 × 2 Da Detail

GSGNSASQSP FSNPNTAEAF ARSFVSNIVS SGEFGAQGAE DFDDIIQSLI QAQSMGKGRH DTKAKAKAMQ VALASSIAEL VIAESSGGDV QRKTNVISNA LRNALMSTTG SPNEEFVHEV QDLIQMLSQE QINEV

Total weight

28491.04 Da

Max. entity weight

14245.52 Da

Source organism

Trichonephila clavipes

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 901, ¹³C: 414, ¹⁵N: 155 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	GLY	HA2	H	3.815	0.020	1
2	1	1	GLY	HA3	H	3.815	0.020	1
3	1	1	GLY	CA	C	44.030	0.3	1
4	1	2	SER	H	H	8.651	0.020	1
5	1	2	SER	HA	H	4.298	0.020	1
6	1	2	SER	HB2	H	3.791	0.020	1
7	1	2	SER	HB3	H	3.791	0.020	1
8	1	2	SER	CA	C	59.040	0.3	1
9	1	2	SER	CB	C	64.757	0.3	1
10	1	2	SER	N	N	117.195	0.3	1
11	1	3	GLY	H	H	8.510	0.020	1
12	1	3	GLY	HA2	H	3.867	0.020	1
13	1	3	GLY	HA3	H	3.867	0.020	1
14	1	3	GLY	CA	C	46.147	0.3	1
15	1	3	GLY	N	N	112.406	0.3	1
16	1	4	ASN	H	H	8.269	0.020	1
17	1	4	ASN	HA	H	4.453	0.020	1
18	1	4	ASN	HB2	H	2.738	0.020	2
19	1	4	ASN	HB3	H	2.692	0.020	2
20	1	4	ASN	HD21	H	6.916	0.020	1
21	1	4	ASN	HD22	H	7.579	0.020	1
22	1	4	ASN	CA	C	53.545	0.3	1
23	1	4	ASN	CB	C	39.593	0.3	1
24	1	4	ASN	N	N	120.321	0.3	1
25	1	4	ASN	ND2	N	115.282	0.3	1
26	1	5	SER	H	H	8.277	0.020	1
27	1	5	SER	HA	H	4.306	0.020	1
28	1	5	SER	HB2	H	3.766	0.020	2
29	1	5	SER	HB3	H	3.793	0.020	2
30	1	5	SER	CA	C	59.308	0.3	1
31	1	5	SER	CB	C	64.493	0.3	1
32	1	5	SER	N	N	118.091	0.3	1
33	1	6	ALA	H	H	8.260	0.020	1
34	1	6	ALA	HA	H	4.230	0.020	1
35	1	6	ALA	HB1	H	1.289	0.020	1
36	1	6	ALA	HB2	H	1.289	0.020	1
37	1	6	ALA	HB3	H	1.289	0.020	1
38	1	6	ALA	CA	C	53.482	0.3	1
39	1	6	ALA	CB	C	19.688	0.3	1
40	1	6	ALA	N	N	127.106	0.3	1
41	1	7	SER	H	H	8.054	0.020	1
42	1	7	SER	HA	H	4.277	0.020	1
43	1	7	SER	HB2	H	3.745	0.020	2
44	1	7	SER	HB3	H	3.706	0.020	2
45	1	7	SER	CA	C	59.058	0.3	1
46	1	7	SER	CB	C	64.345	0.3	1
47	1	7	SER	N	N	115.752	0.3	1
48	1	8	GLN	H	H	8.138	0.020	1
49	1	8	GLN	HA	H	4.250	0.020	1
50	1	8	GLN	HB2	H	1.816	0.020	2
51	1	8	GLN	HB3	H	1.992	0.020	2
52	1	8	GLN	HG2	H	2.219	0.020	1
53	1	8	GLN	HG3	H	2.219	0.020	1
54	1	8	GLN	HE21	H	6.727	0.020	1
55	1	8	GLN	HE22	H	7.343	0.020	1
56	1	8	GLN	CA	C	55.973	0.3	1
57	1	8	GLN	CB	C	30.324	0.3	1
58	1	8	GLN	CG	C	34.464	0.3	1
59	1	8	GLN	N	N	123.115	0.3	1
60	1	8	GLN	NE2	N	113.558	0.3	1
61	1	9	SER	H	H	8.121	0.020	1
62	1	9	SER	HA	H	4.502	0.020	1
63	1	9	SER	HB2	H	3.596	0.020	2
64	1	9	SER	HB3	H	3.794	0.020	2
65	1	9	SER	CA	C	55.492	0.3	1
66	1	9	SER	CB	C	64.807	0.3	1
67	1	9	SER	N	N	117.622	0.3	1
68	1	10	PRO	HA	H	3.951	0.020	1
69	1	10	PRO	HB2	H	0.513	0.020	2
70	1	10	PRO	HB3	H	1.302	0.020	2
71	1	10	PRO	HG2	H	0.185	0.020	2
72	1	10	PRO	HG3	H	0.801	0.020	2
73	1	10	PRO	HD2	H	3.127	0.020	2
74	1	10	PRO	HD3	H	3.001	0.020	2
75	1	10	PRO	CA	C	64.199	0.3	1
76	1	10	PRO	CB	C	31.812	0.3	1
77	1	10	PRO	CG	C	26.494	0.3	1
78	1	10	PRO	CD	C	50.519	0.3	1
79	1	11	PHE	H	H	7.082	0.020	1
80	1	11	PHE	HA	H	4.368	0.020	1
81	1	11	PHE	HB2	H	2.438	0.020	2
82	1	11	PHE	HB3	H	3.184	0.020	2
83	1	11	PHE	HD1	H	6.702	0.020	1
84	1	11	PHE	HD2	H	6.702	0.020	1
85	1	11	PHE	HE1	H	6.696	0.020	1
86	1	11	PHE	HE2	H	6.696	0.020	1
87	1	11	PHE	HZ	H	6.374	0.020	1
88	1	11	PHE	CA	C	56.464	0.3	1
89	1	11	PHE	CB	C	38.606	0.3	1
90	1	11	PHE	CD1	C	130.354	0.3	1
91	1	11	PHE	CE1	C	130.707	0.3	1
92	1	11	PHE	CZ	C	130.229	0.3	1
93	1	11	PHE	N	N	114.002	0.3	1
94	1	12	SER	H	H	7.426	0.020	1
95	1	12	SER	HA	H	4.100	0.020	1
96	1	12	SER	HB2	H	3.821	0.020	2
97	1	12	SER	HB3	H	3.847	0.020	2
98	1	12	SER	CA	C	60.940	0.3	1
99	1	12	SER	CB	C	64.131	0.3	1
100	1	12	SER	N	N	114.919	0.3	1
101	1	13	ASN	H	H	7.411	0.020	1
102	1	13	ASN	HA	H	5.020	0.020	1
103	1	13	ASN	HB2	H	2.964	0.020	2
104	1	13	ASN	HB3	H	2.704	0.020	2
105	1	13	ASN	HD21	H	7.079	0.020	1
106	1	13	ASN	HD22	H	7.642	0.020	1
107	1	13	ASN	CA	C	51.162	0.3	1
108	1	13	ASN	CB	C	40.521	0.3	1
109	1	13	ASN	N	N	120.246	0.3	1
110	1	13	ASN	ND2	N	116.293	0.3	1
111	1	14	PRO	HA	H	4.208	0.020	1
112	1	14	PRO	HB2	H	2.293	0.020	2
113	1	14	PRO	HB3	H	1.895	0.020	2
114	1	14	PRO	HG2	H	1.939	0.020	2
115	1	14	PRO	HG3	H	1.992	0.020	2
116	1	14	PRO	HD2	H	3.816	0.020	2
117	1	14	PRO	HD3	H	3.776	0.020	2
118	1	14	PRO	CA	C	65.833	0.3	1
119	1	14	PRO	CB	C	32.776	0.3	1
120	1	14	PRO	CG	C	28.145	0.3	1
121	1	14	PRO	CD	C	51.565	0.3	1
122	1	15	ASN	H	H	8.190	0.020	1
123	1	15	ASN	HA	H	4.453	0.020	1
124	1	15	ASN	HB2	H	2.756	0.020	2
125	1	15	ASN	HB3	H	2.792	0.020	2
126	1	15	ASN	HD21	H	6.911	0.020	1
127	1	15	ASN	HD22	H	7.581	0.020	1
128	1	15	ASN	CA	C	57.001	0.3	1
129	1	15	ASN	CB	C	38.870	0.3	1
130	1	15	ASN	N	N	117.543	0.3	1
131	1	15	ASN	ND2	N	115.375	0.3	1
132	1	16	THR	H	H	7.879	0.020	1
133	1	16	THR	HA	H	3.997	0.020	1
134	1	16	THR	HB	H	4.135	0.020	1
135	1	16	THR	HG21	H	1.106	0.020	1
136	1	16	THR	HG22	H	1.106	0.020	1
137	1	16	THR	HG23	H	1.106	0.020	1
138	1	16	THR	CA	C	66.144	0.3	1
139	1	16	THR	CB	C	69.260	0.3	1
140	1	16	THR	CG2	C	23.214	0.3	1
141	1	16	THR	N	N	119.264	0.3	1
142	1	17	ALA	H	H	8.327	0.020	1
143	1	17	ALA	HA	H	3.873	0.020	1
144	1	17	ALA	HB1	H	1.390	0.020	1
145	1	17	ALA	HB2	H	1.390	0.020	1
146	1	17	ALA	HB3	H	1.390	0.020	1
147	1	17	ALA	CA	C	56.823	0.3	1
148	1	17	ALA	CB	C	19.541	0.3	1
149	1	17	ALA	N	N	126.433	0.3	1
150	1	18	GLU	H	H	7.910	0.020	1
151	1	18	GLU	HA	H	4.023	0.020	1
152	1	18	GLU	HB2	H	2.088	0.020	2
153	1	18	GLU	HB3	H	2.000	0.020	2
154	1	18	GLU	HG2	H	2.403	0.020	1
155	1	18	GLU	HG3	H	2.403	0.020	1
156	1	18	GLU	CA	C	59.483	0.3	1
157	1	18	GLU	CB	C	29.274	0.3	1
158	1	18	GLU	CG	C	35.515	0.3	1
159	1	18	GLU	N	N	117.147	0.3	1
160	1	19	ALA	H	H	7.734	0.020	1
161	1	19	ALA	HA	H	4.052	0.020	1
162	1	19	ALA	HB1	H	1.501	0.020	1
163	1	19	ALA	HB2	H	1.501	0.020	1
164	1	19	ALA	HB3	H	1.501	0.020	1
165	1	19	ALA	CA	C	56.007	0.3	1
166	1	19	ALA	CB	C	18.534	0.3	1
167	1	19	ALA	N	N	124.559	0.3	1
168	1	20	PHE	H	H	8.830	0.020	1
169	1	20	PHE	HA	H	4.072	0.020	1
170	1	20	PHE	HB2	H	3.189	0.020	2
171	1	20	PHE	HB3	H	3.126	0.020	2
172	1	20	PHE	HD1	H	6.868	0.020	1
173	1	20	PHE	HD2	H	6.868	0.020	1
174	1	20	PHE	HE1	H	6.374	0.020	1
175	1	20	PHE	HE2	H	6.374	0.020	1
176	1	20	PHE	HZ	H	5.966	0.020	1
177	1	20	PHE	CA	C	61.767	0.3	1
178	1	20	PHE	CB	C	38.244	0.3	1
179	1	20	PHE	CD1	C	132.453	0.3	1
180	1	20	PHE	CE1	C	128.314	0.3	1
181	1	20	PHE	CZ	C	128.889	0.3	1
182	1	20	PHE	N	N	122.438	0.3	1
183	1	21	ALA	H	H	8.397	0.020	1
184	1	21	ALA	HA	H	3.359	0.020	1
185	1	21	ALA	HB1	H	1.441	0.020	1
186	1	21	ALA	HB2	H	1.441	0.020	1
187	1	21	ALA	HB3	H	1.441	0.020	1
188	1	21	ALA	CA	C	56.565	0.3	1
189	1	21	ALA	CB	C	19.444	0.3	1
190	1	21	ALA	N	N	124.986	0.3	1
191	1	22	ARG	H	H	7.983	0.020	1
192	1	22	ARG	HA	H	3.881	0.020	1
193	1	22	ARG	HB2	H	1.768	0.020	2
194	1	22	ARG	HB3	H	1.841	0.020	2
195	1	22	ARG	HG2	H	1.740	0.020	2
196	1	22	ARG	HG3	H	1.573	0.020	2
197	1	22	ARG	HD2	H	3.100	0.020	2
198	1	22	ARG	HD3	H	3.191	0.020	2
199	1	22	ARG	HE	H	7.150	0.020	1
200	1	22	ARG	CA	C	59.699	0.3	1
201	1	22	ARG	CB	C	30.855	0.3	1
202	1	22	ARG	CG	C	28.042	0.3	1
203	1	22	ARG	CD	C	43.933	0.3	1
204	1	22	ARG	N	N	117.279	0.3	1
205	1	22	ARG	NE	N	85.970	0.3	1
206	1	23	SER	H	H	7.902	0.020	1
207	1	23	SER	HA	H	4.064	0.020	1
208	1	23	SER	HB2	H	3.754	0.020	2
209	1	23	SER	HB3	H	3.832	0.020	2
210	1	23	SER	CA	C	62.341	0.3	1
211	1	23	SER	CB	C	63.922	0.3	1
212	1	23	SER	N	N	117.036	0.3	1
213	1	24	PHE	H	H	8.960	0.020	1
214	1	24	PHE	HA	H	4.009	0.020	1
215	1	24	PHE	HB2	H	2.409	0.020	2
216	1	24	PHE	HB3	H	2.256	0.020	2
217	1	24	PHE	HD1	H	6.781	0.020	1
218	1	24	PHE	HD2	H	6.781	0.020	1
219	1	24	PHE	HE1	H	7.091	0.020	1
220	1	24	PHE	HE2	H	7.091	0.020	1
221	1	24	PHE	HZ	H	6.810	0.020	1
222	1	24	PHE	CA	C	60.662	0.3	1
223	1	24	PHE	CB	C	39.542	0.3	1
224	1	24	PHE	CD1	C	130.871	0.3	1
225	1	24	PHE	CE1	C	131.171	0.3	1
226	1	24	PHE	CZ	C	128.768	0.3	1
227	1	24	PHE	N	N	123.015	0.3	1
228	1	25	VAL	H	H	8.047	0.020	1
229	1	25	VAL	HA	H	2.950	0.020	1
230	1	25	VAL	HB	H	1.927	0.020	1
231	1	25	VAL	HG11	H	0.927	0.020	2
232	1	25	VAL	HG12	H	0.927	0.020	2
233	1	25	VAL	HG13	H	0.927	0.020	2
234	1	25	VAL	HG21	H	0.741	0.020	2
235	1	25	VAL	HG22	H	0.741	0.020	2
236	1	25	VAL	HG23	H	0.741	0.020	2
237	1	25	VAL	CA	C	67.816	0.3	1
238	1	25	VAL	CB	C	31.875	0.3	1
239	1	25	VAL	CG1	C	23.838	0.3	1
240	1	25	VAL	CG2	C	21.745	0.3	1
241	1	25	VAL	N	N	119.317	0.3	1
242	1	26	SER	H	H	7.837	0.020	1
243	1	26	SER	HA	H	4.074	0.020	1
244	1	26	SER	HB2	H	3.910	0.020	2
245	1	26	SER	HB3	H	3.878	0.020	2
246	1	26	SER	CA	C	62.735	0.3	1
247	1	26	SER	CB	C	63.696	0.3	1
248	1	26	SER	N	N	116.466	0.3	1
249	1	27	ASN	H	H	8.016	0.020	1
250	1	27	ASN	HA	H	4.371	0.020	1
251	1	27	ASN	HB2	H	2.707	0.020	2
252	1	27	ASN	HB3	H	2.979	0.020	2
253	1	27	ASN	HD21	H	6.765	0.020	1
254	1	27	ASN	HD22	H	7.457	0.020	1
255	1	27	ASN	CA	C	56.311	0.3	1
256	1	27	ASN	CB	C	38.812	0.3	1
257	1	27	ASN	N	N	122.218	0.3	1
258	1	27	ASN	ND2	N	113.838	0.3	1
259	1	28	ILE	H	H	7.937	0.020	1
260	1	28	ILE	HA	H	3.220	0.020	1
261	1	28	ILE	HB	H	1.632	0.020	1
262	1	28	ILE	HG12	H	-0.135	0.020	2
263	1	28	ILE	HG13	H	0.700	0.020	2
264	1	28	ILE	HG21	H	0.170	0.020	1
265	1	28	ILE	HG22	H	0.170	0.020	1
266	1	28	ILE	HG23	H	0.170	0.020	1
267	1	28	ILE	HD11	H	-0.928	0.020	1
268	1	28	ILE	HD12	H	-0.928	0.020	1
269	1	28	ILE	HD13	H	-0.928	0.020	1
270	1	28	ILE	CA	C	66.168	0.3	1
271	1	28	ILE	CB	C	37.969	0.3	1
272	1	28	ILE	CG1	C	28.298	0.3	1
273	1	28	ILE	CG2	C	17.351	0.3	1
274	1	28	ILE	CD1	C	12.228	0.3	1
275	1	28	ILE	N	N	123.583	0.3	1
276	1	29	VAL	H	H	8.712	0.020	1
277	1	29	VAL	HA	H	3.465	0.020	1
278	1	29	VAL	HB	H	2.101	0.020	1
279	1	29	VAL	HG11	H	0.888	0.020	2
280	1	29	VAL	HG12	H	0.888	0.020	2
281	1	29	VAL	HG13	H	0.888	0.020	2
282	1	29	VAL	HG21	H	0.822	0.020	2
283	1	29	VAL	HG22	H	0.822	0.020	2
284	1	29	VAL	HG23	H	0.822	0.020	2
285	1	29	VAL	CA	C	67.707	0.3	1
286	1	29	VAL	CB	C	32.359	0.3	1
287	1	29	VAL	CG1	C	23.756	0.3	1
288	1	29	VAL	CG2	C	21.457	0.3	1
289	1	29	VAL	N	N	127.074	0.3	1
290	1	30	SER	H	H	8.373	0.020	1
291	1	30	SER	HA	H	4.127	0.020	1
292	1	30	SER	HB2	H	3.862	0.020	2
293	1	30	SER	HB3	H	3.918	0.020	2
294	1	30	SER	CA	C	61.558	0.3	1
295	1	30	SER	CB	C	63.675	0.3	1
296	1	30	SER	N	N	116.473	0.3	1
297	1	31	SER	H	H	7.470	0.020	1
298	1	31	SER	HA	H	4.165	0.020	1
299	1	31	SER	HB2	H	4.014	0.020	2
300	1	31	SER	HB3	H	3.967	0.020	2
301	1	31	SER	CA	C	61.726	0.3	1
302	1	31	SER	CB	C	65.191	0.3	1
303	1	31	SER	N	N	116.734	0.3	1
304	1	32	GLY	H	H	7.434	0.020	1
305	1	32	GLY	HA2	H	4.092	0.020	2
306	1	32	GLY	HA3	H	3.876	0.020	2
307	1	32	GLY	CA	C	47.082	0.3	1
308	1	32	GLY	N	N	110.710	0.3	1
309	1	33	GLU	H	H	7.862	0.020	1
310	1	33	GLU	HA	H	3.926	0.020	1
311	1	33	GLU	HB2	H	1.666	0.020	2
312	1	33	GLU	HB3	H	1.496	0.020	2
313	1	33	GLU	HG2	H	1.705	0.020	1
314	1	33	GLU	HG3	H	1.705	0.020	1
315	1	33	GLU	CA	C	57.729	0.3	1
316	1	33	GLU	CB	C	31.794	0.3	1
317	1	33	GLU	CG	C	33.071	0.3	1
318	1	33	GLU	N	N	120.962	0.3	1
319	1	34	PHE	H	H	8.518	0.020	1
320	1	34	PHE	HA	H	4.559	0.020	1
321	1	34	PHE	HB2	H	3.081	0.020	2
322	1	34	PHE	HB3	H	2.644	0.020	2
323	1	34	PHE	HD1	H	7.135	0.020	1
324	1	34	PHE	HD2	H	7.135	0.020	1
325	1	34	PHE	HE1	H	7.044	0.020	1
326	1	34	PHE	HE2	H	7.044	0.020	1
327	1	34	PHE	HZ	H	6.512	0.020	1
328	1	34	PHE	CA	C	58.015	0.3	1
329	1	34	PHE	CB	C	41.433	0.3	1
330	1	34	PHE	CD1	C	132.792	0.3	1
331	1	34	PHE	CE1	C	130.615	0.3	1
332	1	34	PHE	CZ	C	129.431	0.3	1
333	1	34	PHE	N	N	115.748	0.3	1
334	1	35	GLY	H	H	7.876	0.020	1
335	1	35	GLY	HA2	H	4.076	0.020	2
336	1	35	GLY	HA3	H	4.047	0.020	2
337	1	35	GLY	CA	C	45.004	0.3	1
338	1	35	GLY	N	N	108.990	0.3	1
339	1	36	ALA	H	H	8.546	0.020	1
340	1	36	ALA	HA	H	4.045	0.020	1
341	1	36	ALA	HB1	H	1.381	0.020	1
342	1	36	ALA	HB2	H	1.381	0.020	1
343	1	36	ALA	HB3	H	1.381	0.020	1
344	1	36	ALA	CA	C	56.146	0.3	1
345	1	36	ALA	CB	C	18.945	0.3	1
346	1	36	ALA	N	N	124.548	0.3	1
347	1	37	GLN	H	H	8.695	0.020	1
348	1	37	GLN	HA	H	4.019	0.020	1
349	1	37	GLN	HB2	H	2.078	0.020	2
350	1	37	GLN	HB3	H	2.005	0.020	2
351	1	37	GLN	HG2	H	2.315	0.020	1
352	1	37	GLN	HG3	H	2.315	0.020	1
353	1	37	GLN	HE21	H	7.406	0.020	1
354	1	37	GLN	HE22	H	6.663	0.020	1
355	1	37	GLN	CA	C	58.528	0.3	1
356	1	37	GLN	CB	C	29.153	0.3	1
357	1	37	GLN	CG	C	34.921	0.3	1
358	1	37	GLN	N	N	118.723	0.3	1
359	1	37	GLN	NE2	N	113.233	0.3	1
360	1	38	GLY	H	H	7.766	0.020	1
361	1	38	GLY	HA2	H	3.811	0.020	2
362	1	38	GLY	HA3	H	3.775	0.020	2
363	1	38	GLY	CA	C	47.718	0.3	1
364	1	38	GLY	N	N	108.562	0.3	1
365	1	39	ALA	H	H	7.904	0.020	1
366	1	39	ALA	HA	H	3.881	0.020	1
367	1	39	ALA	HB1	H	1.297	0.020	1
368	1	39	ALA	HB2	H	1.297	0.020	1
369	1	39	ALA	HB3	H	1.297	0.020	1
370	1	39	ALA	CA	C	56.636	0.3	1
371	1	39	ALA	CB	C	19.218	0.3	1
372	1	39	ALA	N	N	123.125	0.3	1
373	1	40	GLU	H	H	7.645	0.020	1
374	1	40	GLU	HA	H	3.923	0.020	1
375	1	40	GLU	HB2	H	2.096	0.020	2
376	1	40	GLU	HB3	H	2.071	0.020	2
377	1	40	GLU	HG2	H	2.437	0.020	2
378	1	40	GLU	HG3	H	2.296	0.020	2
379	1	40	GLU	CA	C	59.837	0.3	1
380	1	40	GLU	CB	C	30.006	0.3	1
381	1	40	GLU	CG	C	36.776	0.3	1
382	1	40	GLU	N	N	119.387	0.3	1
383	1	41	ASP	H	H	8.235	0.020	1
384	1	41	ASP	HA	H	4.204	0.020	1
385	1	41	ASP	HB2	H	2.015	0.020	2
386	1	41	ASP	HB3	H	3.054	0.020	2
387	1	41	ASP	CA	C	58.317	0.3	1
388	1	41	ASP	CB	C	39.893	0.3	1
389	1	41	ASP	N	N	121.166	0.3	1
390	1	42	PHE	H	H	7.569	0.020	1
391	1	42	PHE	HA	H	3.793	0.020	1
392	1	42	PHE	HB2	H	2.460	0.020	2
393	1	42	PHE	HB3	H	2.991	0.020	2
394	1	42	PHE	HD1	H	7.060	0.020	1
395	1	42	PHE	HD2	H	7.060	0.020	1
396	1	42	PHE	HE1	H	7.083	0.020	1
397	1	42	PHE	HE2	H	7.083	0.020	1
398	1	42	PHE	HZ	H	6.588	0.020	1
399	1	42	PHE	CA	C	63.124	0.3	1
400	1	42	PHE	CB	C	40.427	0.3	1
401	1	42	PHE	CD1	C	132.405	0.3	1
402	1	42	PHE	CE1	C	128.501	0.3	1
403	1	42	PHE	CZ	C	130.577	0.3	1
404	1	42	PHE	N	N	116.466	0.3	1
405	1	43	ASP	H	H	7.885	0.020	1
406	1	43	ASP	HA	H	4.221	0.020	1
407	1	43	ASP	HB2	H	2.885	0.020	2
408	1	43	ASP	HB3	H	2.605	0.020	2
409	1	43	ASP	CA	C	58.230	0.3	1
410	1	43	ASP	CB	C	42.755	0.3	1
411	1	43	ASP	N	N	119.354	0.3	1
412	1	44	ASP	H	H	8.892	0.020	1
413	1	44	ASP	HA	H	4.215	0.020	1
414	1	44	ASP	HB2	H	2.771	0.020	2
415	1	44	ASP	HB3	H	2.732	0.020	2
416	1	44	ASP	CA	C	58.075	0.3	1
417	1	44	ASP	CB	C	41.515	0.3	1
418	1	44	ASP	N	N	118.449	0.3	1
419	1	45	ILE	H	H	7.866	0.020	1
420	1	45	ILE	HA	H	3.775	0.020	1
421	1	45	ILE	HB	H	2.085	0.020	1
422	1	45	ILE	HG12	H	1.803	0.020	2
423	1	45	ILE	HG13	H	1.080	0.020	2
424	1	45	ILE	HG21	H	0.701	0.020	1
425	1	45	ILE	HG22	H	0.701	0.020	1
426	1	45	ILE	HG23	H	0.701	0.020	1
427	1	45	ILE	HD11	H	0.955	0.020	1
428	1	45	ILE	HD12	H	0.955	0.020	1
429	1	45	ILE	HD13	H	0.955	0.020	1
430	1	45	ILE	CA	C	62.151	0.3	1
431	1	45	ILE	CB	C	35.917	0.3	1
432	1	45	ILE	CG1	C	28.418	0.3	1
433	1	45	ILE	CG2	C	17.750	0.3	1
434	1	45	ILE	CD1	C	14.295	0.3	1
435	1	45	ILE	N	N	120.210	0.3	1
436	1	46	ILE	H	H	8.636	0.020	1
437	1	46	ILE	HA	H	3.587	0.020	1
438	1	46	ILE	HB	H	2.065	0.020	1
439	1	46	ILE	HG12	H	1.326	0.020	2
440	1	46	ILE	HG13	H	1.819	0.020	2
441	1	46	ILE	HG21	H	0.964	0.020	1
442	1	46	ILE	HG22	H	0.964	0.020	1
443	1	46	ILE	HG23	H	0.964	0.020	1
444	1	46	ILE	HD11	H	0.695	0.020	1
445	1	46	ILE	HD12	H	0.695	0.020	1
446	1	46	ILE	HD13	H	0.695	0.020	1
447	1	46	ILE	CA	C	66.450	0.3	1
448	1	46	ILE	CB	C	37.406	0.3	1
449	1	46	ILE	CG1	C	30.015	0.3	1
450	1	46	ILE	CG2	C	18.689	0.3	1
451	1	46	ILE	CD1	C	10.057	0.3	1
452	1	46	ILE	N	N	121.409	0.3	1
453	1	47	GLN	H	H	8.736	0.020	1
454	1	47	GLN	HA	H	3.944	0.020	1
455	1	47	GLN	HB2	H	2.031	0.020	2
456	1	47	GLN	HB3	H	2.056	0.020	2
457	1	47	GLN	HG2	H	2.472	0.020	2
458	1	47	GLN	HG3	H	2.563	0.020	2
459	1	47	GLN	HE21	H	7.893	0.020	1
460	1	47	GLN	HE22	H	6.907	0.020	1
461	1	47	GLN	CA	C	59.896	0.3	1
462	1	47	GLN	CB	C	28.394	0.3	1
463	1	47	GLN	CG	C	34.129	0.3	1
464	1	47	GLN	N	N	117.853	0.3	1
465	1	47	GLN	NE2	N	114.311	0.3	1
466	1	48	SER	H	H	7.681	0.020	1
467	1	48	SER	HA	H	4.172	0.020	1
468	1	48	SER	HB2	H	3.996	0.020	2
469	1	48	SER	HB3	H	3.805	0.020	2
470	1	48	SER	CA	C	63.071	0.3	1
471	1	48	SER	CB	C	63.316	0.3	1
472	1	48	SER	N	N	116.451	0.3	1
473	1	49	LEU	H	H	7.918	0.020	1
474	1	49	LEU	HA	H	3.958	0.020	1
475	1	49	LEU	HB2	H	1.264	0.020	2
476	1	49	LEU	HB3	H	1.940	0.020	2
477	1	49	LEU	HG	H	1.758	0.020	1
478	1	49	LEU	HD11	H	0.560	0.020	2
479	1	49	LEU	HD12	H	0.560	0.020	2
480	1	49	LEU	HD13	H	0.560	0.020	2
481	1	49	LEU	HD21	H	0.728	0.020	2
482	1	49	LEU	HD22	H	0.728	0.020	2
483	1	49	LEU	HD23	H	0.728	0.020	2
484	1	49	LEU	CA	C	58.584	0.3	1
485	1	49	LEU	CB	C	42.361	0.3	1
486	1	49	LEU	CG	C	27.832	0.3	1
487	1	49	LEU	CD1	C	23.563	0.3	1
488	1	49	LEU	CD2	C	27.082	0.3	1
489	1	49	LEU	N	N	124.621	0.3	1
490	1	50	ILE	H	H	8.253	0.020	1
491	1	50	ILE	HA	H	3.587	0.020	1
492	1	50	ILE	HB	H	1.940	0.020	1
493	1	50	ILE	HG12	H	0.994	0.020	2
494	1	50	ILE	HG13	H	1.639	0.020	2
495	1	50	ILE	HG21	H	0.796	0.020	1
496	1	50	ILE	HG22	H	0.796	0.020	1
497	1	50	ILE	HG23	H	0.796	0.020	1
498	1	50	ILE	HD11	H	0.666	0.020	1
499	1	50	ILE	HD12	H	0.666	0.020	1
500	1	50	ILE	HD13	H	0.666	0.020	1
501	1	50	ILE	CA	C	65.678	0.3	1
502	1	50	ILE	CB	C	37.974	0.3	1
503	1	50	ILE	CG1	C	29.762	0.3	1
504	1	50	ILE	CG2	C	17.821	0.3	1
505	1	50	ILE	CD1	C	13.973	0.3	1
506	1	50	ILE	N	N	121.911	0.3	1
507	1	51	GLN	H	H	8.058	0.020	1
508	1	51	GLN	HA	H	4.023	0.020	1
509	1	51	GLN	HB2	H	2.101	0.020	2
510	1	51	GLN	HB3	H	2.006	0.020	2
511	1	51	GLN	HG2	H	2.386	0.020	2
512	1	51	GLN	HG3	H	2.432	0.020	2
513	1	51	GLN	HE21	H	6.702	0.020	1
514	1	51	GLN	HE22	H	7.250	0.020	1
515	1	51	GLN	CA	C	59.482	0.3	1
516	1	51	GLN	CB	C	28.874	0.3	1
517	1	51	GLN	CG	C	34.663	0.3	1
518	1	51	GLN	N	N	121.880	0.3	1
519	1	51	GLN	NE2	N	112.959	0.3	1
520	1	52	ALA	H	H	8.186	0.020	1
521	1	52	ALA	HA	H	4.056	0.020	1
522	1	52	ALA	HB1	H	1.376	0.020	1
523	1	52	ALA	HB2	H	1.376	0.020	1
524	1	52	ALA	HB3	H	1.376	0.020	1
525	1	52	ALA	CA	C	55.423	0.3	1
526	1	52	ALA	CB	C	18.969	0.3	1
527	1	52	ALA	N	N	123.097	0.3	1
528	1	53	GLN	H	H	7.972	0.020	1
529	1	53	GLN	HA	H	3.973	0.020	1
530	1	53	GLN	HB2	H	2.081	0.020	2
531	1	53	GLN	HB3	H	2.008	0.020	2
532	1	53	GLN	HG2	H	2.295	0.020	1
533	1	53	GLN	HG3	H	2.295	0.020	1
534	1	53	GLN	HE21	H	7.327	0.020	1
535	1	53	GLN	HE22	H	6.732	0.020	1
536	1	53	GLN	CA	C	59.263	0.3	1
537	1	53	GLN	CB	C	28.640	0.3	1
538	1	53	GLN	CG	C	34.548	0.3	1
539	1	53	GLN	N	N	118.774	0.3	1
540	1	53	GLN	NE2	N	113.909	0.3	1
541	1	54	SER	H	H	7.607	0.020	1
542	1	54	SER	HA	H	4.194	0.020	1
543	1	54	SER	HB2	H	3.944	0.020	2
544	1	54	SER	HB3	H	3.895	0.020	2
545	1	54	SER	CA	C	61.335	0.3	1
546	1	54	SER	CB	C	63.843	0.3	1
547	1	54	SER	N	N	115.074	0.3	1
548	1	55	MET	H	H	7.830	0.020	1
549	1	55	MET	HA	H	4.220	0.020	1
550	1	55	MET	HB2	H	2.009	0.020	2
551	1	55	MET	HB3	H	2.060	0.020	2
552	1	55	MET	HG2	H	2.464	0.020	2
553	1	55	MET	HG3	H	2.605	0.020	2
554	1	55	MET	HE1	H	1.955	0.020	1
555	1	55	MET	HE2	H	1.955	0.020	1
556	1	55	MET	HE3	H	1.955	0.020	1
557	1	55	MET	CA	C	57.937	0.3	1
558	1	55	MET	CB	C	33.775	0.3	1
559	1	55	MET	CG	C	32.834	0.3	1
560	1	55	MET	CE	C	17.691	0.3	1
561	1	55	MET	N	N	122.195	0.3	1
562	1	56	GLY	H	H	8.148	0.020	1
563	1	56	GLY	HA2	H	3.885	0.020	2
564	1	56	GLY	HA3	H	3.623	0.020	2
565	1	56	GLY	CA	C	46.379	0.3	1
566	1	56	GLY	N	N	109.099	0.3	1
567	1	57	LYS	H	H	7.484	0.020	1
568	1	57	LYS	HA	H	3.970	0.020	1
569	1	57	LYS	HB2	H	1.720	0.020	1
570	1	57	LYS	HB3	H	1.720	0.020	1
571	1	57	LYS	HG2	H	1.336	0.020	2
572	1	57	LYS	HG3	H	1.457	0.020	2
573	1	57	LYS	HD2	H	1.589	0.020	1
574	1	57	LYS	HD3	H	1.589	0.020	1
575	1	57	LYS	HE2	H	2.889	0.020	1
576	1	57	LYS	HE3	H	2.889	0.020	1
577	1	57	LYS	CA	C	58.686	0.3	1
578	1	57	LYS	CB	C	33.284	0.3	1
579	1	57	LYS	CG	C	25.443	0.3	1
580	1	57	LYS	CD	C	29.880	0.3	1
581	1	57	LYS	CE	C	42.800	0.3	1
582	1	57	LYS	N	N	121.527	0.3	1
583	1	58	GLY	H	H	7.937	0.020	1
584	1	58	GLY	HA2	H	3.784	0.020	2
585	1	58	GLY	HA3	H	3.654	0.020	2
586	1	58	GLY	CA	C	46.317	0.3	1
587	1	58	GLY	N	N	107.485	0.3	1
588	1	59	ARG	H	H	8.405	0.020	1
589	1	59	ARG	HA	H	4.094	0.020	1
590	1	59	ARG	HB2	H	1.547	0.020	1
591	1	59	ARG	HB3	H	1.547	0.020	1
592	1	59	ARG	HG2	H	1.457	0.020	2
593	1	59	ARG	HG3	H	1.423	0.020	2
594	1	59	ARG	HD2	H	3.074	0.020	1
595	1	59	ARG	HD3	H	3.074	0.020	1
596	1	59	ARG	HE	H	7.348	0.020	1
597	1	59	ARG	CA	C	57.442	0.3	1
598	1	59	ARG	CB	C	31.452	0.3	1
599	1	59	ARG	CG	C	27.902	0.3	1
600	1	59	ARG	CD	C	43.961	0.3	1
601	1	59	ARG	N	N	122.905	0.3	1
602	1	59	ARG	NE	N	86.286	0.3	1
603	1	60	HIS	H	H	8.230	0.020	1
604	1	60	HIS	HA	H	4.125	0.020	1
605	1	60	HIS	HB2	H	3.081	0.020	2
606	1	60	HIS	HB3	H	3.187	0.020	2
607	1	60	HIS	HD2	H	7.229	0.020	1
608	1	60	HIS	HE1	H	8.464	0.020	1
609	1	60	HIS	CA	C	54.246	0.3	1
610	1	60	HIS	CB	C	30.333	0.3	1
611	1	60	HIS	CD2	C	120.283	0.3	1
612	1	60	HIS	CE1	C	136.138	0.3	1
613	1	60	HIS	N	N	118.055	0.3	1
614	1	61	ASP	H	H	8.786	0.020	1
615	1	61	ASP	HA	H	4.637	0.020	1
616	1	61	ASP	HB2	H	2.613	0.020	2
617	1	61	ASP	HB3	H	2.470	0.020	2
618	1	61	ASP	CA	C	55.221	0.3	1
619	1	61	ASP	CB	C	41.483	0.3	1
620	1	61	ASP	N	N	127.236	0.3	1
621	1	62	THR	H	H	7.521	0.020	1
622	1	62	THR	HA	H	4.554	0.020	1
623	1	62	THR	HB	H	4.534	0.020	1
624	1	62	THR	HG21	H	1.177	0.020	1
625	1	62	THR	HG22	H	1.177	0.020	1
626	1	62	THR	HG23	H	1.177	0.020	1
627	1	62	THR	CA	C	60.271	0.3	1
628	1	62	THR	CB	C	73.253	0.3	1
629	1	62	THR	CG2	C	23.200	0.3	1
630	1	62	THR	N	N	113.248	0.3	1
631	1	63	LYS	H	H	8.791	0.020	1
632	1	63	LYS	HA	H	3.962	0.020	1
633	1	63	LYS	HB2	H	1.804	0.020	2
634	1	63	LYS	HB3	H	1.701	0.020	2
635	1	63	LYS	HG2	H	1.515	0.020	2
636	1	63	LYS	HG3	H	1.371	0.020	2
637	1	63	LYS	HD2	H	1.641	0.020	2
638	1	63	LYS	HD3	H	1.679	0.020	2
639	1	63	LYS	HE2	H	2.925	0.020	1
640	1	63	LYS	HE3	H	2.925	0.020	1
641	1	63	LYS	CA	C	59.981	0.3	1
642	1	63	LYS	CB	C	32.504	0.3	1
643	1	63	LYS	CG	C	25.657	0.3	1
644	1	63	LYS	CD	C	29.618	0.3	1
645	1	63	LYS	CE	C	42.595	0.3	1
646	1	63	LYS	N	N	125.269	0.3	1
647	1	64	ALA	H	H	8.380	0.020	1
648	1	64	ALA	HA	H	3.711	0.020	1
649	1	64	ALA	HB1	H	1.109	0.020	1
650	1	64	ALA	HB2	H	1.109	0.020	1
651	1	64	ALA	HB3	H	1.109	0.020	1
652	1	64	ALA	CA	C	56.206	0.3	1
653	1	64	ALA	CB	C	19.175	0.3	1
654	1	64	ALA	N	N	121.683	0.3	1
655	1	65	LYS	H	H	7.201	0.020	1
656	1	65	LYS	HA	H	3.565	0.020	1
657	1	65	LYS	HB2	H	1.901	0.020	2
658	1	65	LYS	HB3	H	1.568	0.020	2
659	1	65	LYS	HG2	H	1.447	0.020	1
660	1	65	LYS	HG3	H	1.447	0.020	1
661	1	65	LYS	HD2	H	1.843	0.020	1
662	1	65	LYS	HD3	H	1.843	0.020	1
663	1	65	LYS	HE2	H	3.188	0.020	1
664	1	65	LYS	HE3	H	3.188	0.020	1
665	1	65	LYS	CA	C	61.765	0.3	1
666	1	65	LYS	CB	C	33.025	0.3	1
667	1	65	LYS	CG	C	27.291	0.3	1
668	1	65	LYS	CD	C	30.861	0.3	1
669	1	65	LYS	CE	C	42.248	0.3	1
670	1	65	LYS	N	N	116.586	0.3	1
671	1	66	ALA	H	H	7.707	0.020	1
672	1	66	ALA	HA	H	4.036	0.020	1
673	1	66	ALA	HB1	H	1.425	0.020	1
674	1	66	ALA	HB2	H	1.425	0.020	1
675	1	66	ALA	HB3	H	1.425	0.020	1
676	1	66	ALA	CA	C	56.059	0.3	1
677	1	66	ALA	CB	C	18.533	0.3	1
678	1	66	ALA	N	N	123.281	0.3	1
679	1	67	LYS	H	H	8.074	0.020	1
680	1	67	LYS	HA	H	3.821	0.020	1
681	1	67	LYS	HB2	H	1.782	0.020	1
682	1	67	LYS	HB3	H	1.782	0.020	1
683	1	67	LYS	HG2	H	1.154	0.020	2
684	1	67	LYS	HG3	H	1.663	0.020	2
685	1	67	LYS	HD3	H	1.456	0.020	1
686	1	67	LYS	HE2	H	2.870	0.020	2
687	1	67	LYS	HE3	H	2.765	0.020	2
688	1	67	LYS	CA	C	60.812	0.3	1
689	1	67	LYS	CB	C	33.221	0.3	1
690	1	67	LYS	CG	C	27.415	0.3	1
691	1	67	LYS	CD	C	30.983	0.3	1
692	1	67	LYS	CE	C	43.040	0.3	1
693	1	67	LYS	N	N	120.601	0.3	1
694	1	68	ALA	H	H	8.178	0.020	1
695	1	68	ALA	HA	H	3.625	0.020	1
696	1	68	ALA	HB1	H	1.303	0.020	1
697	1	68	ALA	HB2	H	1.303	0.020	1
698	1	68	ALA	HB3	H	1.303	0.020	1
699	1	68	ALA	CA	C	56.409	0.3	1
700	1	68	ALA	CB	C	18.740	0.3	1
701	1	68	ALA	N	N	122.747	0.3	1
702	1	69	MET	H	H	8.135	0.020	1
703	1	69	MET	HA	H	4.384	0.020	1
704	1	69	MET	HB2	H	2.023	0.020	2
705	1	69	MET	HB3	H	1.840	0.020	2
706	1	69	MET	HG2	H	2.574	0.020	2
707	1	69	MET	HG3	H	2.469	0.020	2
708	1	69	MET	HE1	H	1.818	0.020	1
709	1	69	MET	HE2	H	1.818	0.020	1
710	1	69	MET	HE3	H	1.818	0.020	1
711	1	69	MET	CA	C	57.047	0.3	1
712	1	69	MET	CB	C	31.256	0.3	1
713	1	69	MET	CG	C	33.064	0.3	1
714	1	69	MET	CE	C	16.885	0.3	1
715	1	69	MET	N	N	116.072	0.3	1
716	1	70	GLN	H	H	7.713	0.020	1
717	1	70	GLN	HA	H	3.681	0.020	1
718	1	70	GLN	HB2	H	2.173	0.020	2
719	1	70	GLN	HB3	H	2.041	0.020	2
720	1	70	GLN	HG2	H	2.378	0.020	2
721	1	70	GLN	HG3	H	2.311	0.020	2
722	1	70	GLN	HE21	H	7.674	0.020	1
723	1	70	GLN	HE22	H	7.068	0.020	1
724	1	70	GLN	CA	C	61.641	0.3	1
725	1	70	GLN	CB	C	28.552	0.3	1
726	1	70	GLN	CG	C	34.460	0.3	1
727	1	70	GLN	N	N	124.179	0.3	1
728	1	70	GLN	NE2	N	112.872	0.3	1
729	1	71	VAL	H	H	7.957	0.020	1
730	1	71	VAL	HA	H	3.472	0.020	1
731	1	71	VAL	HB	H	1.857	0.020	1
732	1	71	VAL	HG11	H	0.882	0.020	2
733	1	71	VAL	HG12	H	0.882	0.020	2
734	1	71	VAL	HG13	H	0.882	0.020	2
735	1	71	VAL	HG21	H	0.811	0.020	2
736	1	71	VAL	HG22	H	0.811	0.020	2
737	1	71	VAL	HG23	H	0.811	0.020	2
738	1	71	VAL	CA	C	67.255	0.3	1
739	1	71	VAL	CB	C	32.217	0.3	1
740	1	71	VAL	CG1	C	23.808	0.3	1
741	1	71	VAL	CG2	C	23.416	0.3	1
742	1	71	VAL	N	N	120.143	0.3	1
743	1	72	ALA	H	H	8.767	0.020	1
744	1	72	ALA	HA	H	4.026	0.020	1
745	1	72	ALA	HB1	H	1.418	0.020	1
746	1	72	ALA	HB2	H	1.418	0.020	1
747	1	72	ALA	HB3	H	1.418	0.020	1
748	1	72	ALA	CA	C	56.121	0.3	1
749	1	72	ALA	CB	C	18.478	0.3	1
750	1	72	ALA	N	N	127.441	0.3	1
751	1	73	LEU	H	H	7.719	0.020	1
752	1	73	LEU	HA	H	3.925	0.020	1
753	1	73	LEU	HB2	H	1.836	0.020	2
754	1	73	LEU	HB3	H	1.486	0.020	2
755	1	73	LEU	HG	H	1.444	0.020	1
756	1	73	LEU	HD11	H	0.731	0.020	2
757	1	73	LEU	HD12	H	0.731	0.020	2
758	1	73	LEU	HD13	H	0.731	0.020	2
759	1	73	LEU	HD21	H	0.315	0.020	2
760	1	73	LEU	HD22	H	0.315	0.020	2
761	1	73	LEU	HD23	H	0.315	0.020	2
762	1	73	LEU	CA	C	58.979	0.3	1
763	1	73	LEU	CB	C	42.178	0.3	1
764	1	73	LEU	CG	C	28.208	0.3	1
765	1	73	LEU	CD1	C	24.661	0.3	1
766	1	73	LEU	CD2	C	26.261	0.3	1
767	1	73	LEU	N	N	120.490	0.3	1
768	1	74	ALA	H	H	8.434	0.020	1
769	1	74	ALA	HA	H	3.595	0.020	1
770	1	74	ALA	HB1	H	1.027	0.020	1
771	1	74	ALA	HB2	H	1.027	0.020	1
772	1	74	ALA	HB3	H	1.027	0.020	1
773	1	74	ALA	CA	C	56.193	0.3	1
774	1	74	ALA	CB	C	19.506	0.3	1
775	1	74	ALA	N	N	122.043	0.3	1
776	1	75	SER	H	H	9.090	0.020	1
777	1	75	SER	HA	H	3.794	0.020	1
778	1	75	SER	HB2	H	4.053	0.020	2
779	1	75	SER	HB3	H	3.618	0.020	2
780	1	75	SER	CA	C	62.681	0.3	1
781	1	75	SER	CB	C	63.046	0.3	1
782	1	75	SER	N	N	113.954	0.3	1
783	1	76	SER	H	H	7.913	0.020	1
784	1	76	SER	HA	H	4.002	0.020	1
785	1	76	SER	HB2	H	3.776	0.020	2
786	1	76	SER	HB3	H	3.603	0.020	2
787	1	76	SER	CA	C	63.459	0.3	1
788	1	76	SER	CB	C	63.065	0.3	1
789	1	76	SER	N	N	122.572	0.3	1
790	1	77	ILE	H	H	7.555	0.020	1
791	1	77	ILE	HA	H	3.558	0.020	1
792	1	77	ILE	HB	H	1.951	0.020	1
793	1	77	ILE	HG12	H	0.987	0.020	2
794	1	77	ILE	HG13	H	2.136	0.020	2
795	1	77	ILE	HG21	H	1.005	0.020	1
796	1	77	ILE	HG22	H	1.005	0.020	1
797	1	77	ILE	HG23	H	1.005	0.020	1
798	1	77	ILE	HD11	H	0.823	0.020	1
799	1	77	ILE	HD12	H	0.823	0.020	1
800	1	77	ILE	HD13	H	0.823	0.020	1
801	1	77	ILE	CA	C	66.755	0.3	1
802	1	77	ILE	CB	C	38.792	0.3	1
803	1	77	ILE	CG1	C	30.715	0.3	1
804	1	77	ILE	CG2	C	19.006	0.3	1
805	1	77	ILE	CD1	C	14.493	0.3	1
806	1	77	ILE	N	N	123.198	0.3	1
807	1	78	ALA	H	H	8.098	0.020	1
808	1	78	ALA	HA	H	3.701	0.020	1
809	1	78	ALA	HB1	H	1.345	0.020	1
810	1	78	ALA	HB2	H	1.345	0.020	1
811	1	78	ALA	HB3	H	1.345	0.020	1
812	1	78	ALA	CA	C	55.988	0.3	1
813	1	78	ALA	CB	C	22.048	0.3	1
814	1	78	ALA	N	N	121.194	0.3	1
815	1	79	GLU	H	H	8.566	0.020	1
816	1	79	GLU	HA	H	4.089	0.020	1
817	1	79	GLU	HB2	H	1.696	0.020	1
818	1	79	GLU	HG2	H	2.137	0.020	1
819	1	79	GLU	HG3	H	2.137	0.020	1
820	1	79	GLU	CA	C	57.495	0.3	1
821	1	79	GLU	CB	C	27.319	0.3	1
822	1	79	GLU	CG	C	31.458	0.3	1
823	1	79	GLU	N	N	115.521	0.3	1
824	1	80	LEU	H	H	7.962	0.020	1
825	1	80	LEU	HA	H	3.751	0.020	1
826	1	80	LEU	HB2	H	1.545	0.020	2
827	1	80	LEU	HB3	H	0.198	0.020	2
828	1	80	LEU	HG	H	1.415	0.020	1
829	1	80	LEU	HD11	H	0.270	0.020	2
830	1	80	LEU	HD12	H	0.270	0.020	2
831	1	80	LEU	HD13	H	0.270	0.020	2
832	1	80	LEU	HD21	H	-0.009	0.020	2
833	1	80	LEU	HD22	H	-0.009	0.020	2
834	1	80	LEU	HD23	H	-0.009	0.020	2
835	1	80	LEU	CA	C	58.849	0.3	1
836	1	80	LEU	CB	C	42.726	0.3	1
837	1	80	LEU	CG	C	26.597	0.3	1
838	1	80	LEU	CD1	C	23.663	0.3	1
839	1	80	LEU	CD2	C	26.284	0.3	1
840	1	80	LEU	N	N	121.229	0.3	1
841	1	81	VAL	H	H	7.920	0.020	1
842	1	81	VAL	HA	H	3.392	0.020	1
843	1	81	VAL	HB	H	2.452	0.020	1
844	1	81	VAL	HG11	H	1.233	0.020	2
845	1	81	VAL	HG12	H	1.233	0.020	2
846	1	81	VAL	HG13	H	1.233	0.020	2
847	1	81	VAL	HG21	H	0.889	0.020	2
848	1	81	VAL	HG22	H	0.889	0.020	2
849	1	81	VAL	HG23	H	0.889	0.020	2
850	1	81	VAL	CA	C	69.330	0.3	1
851	1	81	VAL	CB	C	31.487	0.3	1
852	1	81	VAL	CG1	C	25.651	0.3	1
853	1	81	VAL	CG2	C	22.361	0.3	1
854	1	81	VAL	N	N	119.318	0.3	1
855	1	82	ILE	H	H	7.018	0.020	1
856	1	82	ILE	HA	H	3.433	0.020	1
857	1	82	ILE	HB	H	1.651	0.020	1
858	1	82	ILE	HG12	H	0.880	0.020	2
859	1	82	ILE	HG13	H	1.587	0.020	2
860	1	82	ILE	HG21	H	0.733	0.020	1
861	1	82	ILE	HG22	H	0.733	0.020	1
862	1	82	ILE	HG23	H	0.733	0.020	1
863	1	82	ILE	HD11	H	0.783	0.020	1
864	1	82	ILE	HD12	H	0.783	0.020	1
865	1	82	ILE	HD13	H	0.783	0.020	1
866	1	82	ILE	CA	C	65.218	0.3	1
867	1	82	ILE	CB	C	39.313	0.3	1
868	1	82	ILE	CG1	C	29.252	0.3	1
869	1	82	ILE	CG2	C	18.120	0.3	1
870	1	82	ILE	CD1	C	15.848	0.3	1
871	1	82	ILE	N	N	117.756	0.3	1
872	1	83	ALA	H	H	9.205	0.020	1
873	1	83	ALA	HA	H	4.223	0.020	1
874	1	83	ALA	HB1	H	1.379	0.020	1
875	1	83	ALA	HB2	H	1.379	0.020	1
876	1	83	ALA	HB3	H	1.379	0.020	1
877	1	83	ALA	CA	C	54.972	0.3	1
878	1	83	ALA	CB	C	19.670	0.3	1
879	1	83	ALA	N	N	122.757	0.3	1
880	1	84	GLU	H	H	8.174	0.020	1
881	1	84	GLU	HA	H	4.500	0.020	1
882	1	84	GLU	HB2	H	2.567	0.020	2
883	1	84	GLU	HB3	H	1.957	0.020	2
884	1	84	GLU	HG2	H	2.835	0.020	2
885	1	84	GLU	HG3	H	2.117	0.020	2
886	1	84	GLU	CA	C	55.829	0.3	1
887	1	84	GLU	CB	C	28.466	0.3	1
888	1	84	GLU	CG	C	33.008	0.3	1
889	1	84	GLU	N	N	115.729	0.3	1
890	1	85	SER	H	H	7.714	0.020	1
891	1	85	SER	HA	H	4.515	0.020	1
892	1	85	SER	HB2	H	4.036	0.020	2
893	1	85	SER	HB3	H	3.971	0.020	2
894	1	85	SER	CA	C	59.702	0.3	1
895	1	85	SER	CB	C	64.619	0.3	1
896	1	85	SER	N	N	117.799	0.3	1
897	1	86	SER	H	H	9.124	0.020	1
898	1	86	SER	HA	H	4.509	0.020	1
899	1	86	SER	HB2	H	3.881	0.020	2
900	1	86	SER	HB3	H	3.786	0.020	2
901	1	86	SER	CA	C	58.879	0.3	1
902	1	86	SER	CB	C	64.754	0.3	1
903	1	86	SER	N	N	120.184	0.3	1
904	1	87	GLY	H	H	8.610	0.020	1
905	1	87	GLY	HA2	H	4.112	0.020	2
906	1	87	GLY	HA3	H	3.712	0.020	2
907	1	87	GLY	CA	C	46.577	0.3	1
908	1	87	GLY	N	N	112.880	0.3	1
909	1	88	GLY	H	H	8.465	0.020	1
910	1	88	GLY	HA2	H	4.051	0.020	2
911	1	88	GLY	HA3	H	3.805	0.020	2
912	1	88	GLY	CA	C	46.156	0.3	1
913	1	88	GLY	N	N	112.045	0.3	1
914	1	89	ASP	H	H	8.517	0.020	1
915	1	89	ASP	HA	H	4.685	0.020	1
916	1	89	ASP	HB2	H	2.791	0.020	2
917	1	89	ASP	HB3	H	2.620	0.020	2
918	1	89	ASP	CA	C	54.105	0.3	1
919	1	89	ASP	CB	C	41.514	0.3	1
920	1	89	ASP	N	N	119.878	0.3	1
921	1	90	VAL	H	H	8.070	0.020	1
922	1	90	VAL	HA	H	3.619	0.020	1
923	1	90	VAL	HB	H	2.057	0.020	1
924	1	90	VAL	HG11	H	0.945	0.020	2
925	1	90	VAL	HG12	H	0.945	0.020	2
926	1	90	VAL	HG13	H	0.945	0.020	2
927	1	90	VAL	HG21	H	0.749	0.020	2
928	1	90	VAL	HG22	H	0.749	0.020	2
929	1	90	VAL	HG23	H	0.749	0.020	2
930	1	90	VAL	CA	C	67.132	0.3	1
931	1	90	VAL	CB	C	32.279	0.3	1
932	1	90	VAL	CG1	C	23.791	0.3	1
933	1	90	VAL	CG2	C	21.459	0.3	1
934	1	90	VAL	N	N	123.209	0.3	1
935	1	91	GLN	H	H	8.599	0.020	1
936	1	91	GLN	HA	H	3.923	0.020	1
937	1	91	GLN	HB2	H	2.068	0.020	2
938	1	91	GLN	HB3	H	2.029	0.020	2
939	1	91	GLN	HG2	H	2.299	0.020	1
940	1	91	GLN	HG3	H	2.299	0.020	1
941	1	91	GLN	HE21	H	6.193	0.020	1
942	1	91	GLN	HE22	H	7.247	0.020	1
943	1	91	GLN	CA	C	60.570	0.3	1
944	1	91	GLN	CB	C	28.333	0.3	1
945	1	91	GLN	CG	C	34.788	0.3	1
946	1	91	GLN	N	N	125.695	0.3	1
947	1	91	GLN	NE2	N	109.530	0.3	1
948	1	92	ARG	H	H	8.109	0.020	1
949	1	92	ARG	HA	H	4.022	0.020	1
950	1	92	ARG	HB2	H	1.836	0.020	2
951	1	92	ARG	HB3	H	1.761	0.020	2
952	1	92	ARG	HG2	H	1.350	0.020	2
953	1	92	ARG	HG3	H	1.552	0.020	2
954	1	92	ARG	HD2	H	3.089	0.020	2
955	1	92	ARG	HD3	H	3.200	0.020	2
956	1	92	ARG	HE	H	7.970	0.020	1
957	1	92	ARG	CA	C	60.178	0.3	1
958	1	92	ARG	CB	C	30.713	0.3	1
959	1	92	ARG	CG	C	28.381	0.3	1
960	1	92	ARG	CD	C	43.983	0.3	1
961	1	92	ARG	N	N	123.471	0.3	1
962	1	92	ARG	NE	N	87.330	0.3	1
963	1	93	LYS	H	H	8.297	0.020	1
964	1	93	LYS	HA	H	3.684	0.020	1
965	1	93	LYS	HB2	H	1.493	0.020	2
966	1	93	LYS	HB3	H	1.787	0.020	2
967	1	93	LYS	HE2	H	2.253	0.020	2
968	1	93	LYS	HE3	H	2.795	0.020	2
969	1	93	LYS	CA	C	61.460	0.3	1
970	1	93	LYS	CB	C	36.577	0.3	1
971	1	93	LYS	CG	C	22.396	0.3	1
972	1	93	LYS	CD	C	28.071	0.3	1
973	1	93	LYS	CE	C	43.313	0.3	1
974	1	93	LYS	N	N	119.067	0.3	1
975	1	94	THR	H	H	8.526	0.020	1
976	1	94	THR	HA	H	4.382	0.020	1
977	1	94	THR	HB	H	3.692	0.020	1
978	1	94	THR	HG21	H	1.136	0.020	1
979	1	94	THR	HG22	H	1.136	0.020	1
980	1	94	THR	HG23	H	1.136	0.020	1
981	1	94	THR	CA	C	68.850	0.3	1
982	1	94	THR	CB	C	68.623	0.3	1
983	1	94	THR	CG2	C	21.167	0.3	1
984	1	94	THR	N	N	119.083	0.3	1
985	1	95	ASN	H	H	8.125	0.020	1
986	1	95	ASN	HA	H	4.387	0.020	1
987	1	95	ASN	HB2	H	2.970	0.020	2
988	1	95	ASN	HB3	H	2.870	0.020	2
989	1	95	ASN	HD21	H	6.935	0.020	1
990	1	95	ASN	HD22	H	7.575	0.020	1
991	1	95	ASN	CA	C	57.327	0.3	1
992	1	95	ASN	CB	C	38.508	0.3	1
993	1	95	ASN	N	N	126.537	0.3	1
994	1	95	ASN	ND2	N	113.705	0.3	1
995	1	96	VAL	H	H	8.188	0.020	1
996	1	96	VAL	HA	H	3.726	0.020	1
997	1	96	VAL	HB	H	2.126	0.020	1
998	1	96	VAL	HG11	H	0.999	0.020	2
999	1	96	VAL	HG12	H	0.999	0.020	2
1000	1	96	VAL	HG13	H	0.999	0.020	2
1001	1	96	VAL	HG21	H	1.044	0.020	2
1002	1	96	VAL	HG22	H	1.044	0.020	2
1003	1	96	VAL	HG23	H	1.044	0.020	2
1004	1	96	VAL	CA	C	67.149	0.3	1
1005	1	96	VAL	CB	C	32.587	0.3	1
1006	1	96	VAL	CG1	C	21.608	0.3	1
1007	1	96	VAL	CG2	C	23.286	0.3	1
1008	1	96	VAL	N	N	121.770	0.3	1
1009	1	97	ILE	H	H	8.615	0.020	1
1010	1	97	ILE	HA	H	3.907	0.020	1
1011	1	97	ILE	HB	H	2.183	0.020	1
1012	1	97	ILE	HG12	H	1.421	0.020	2
1013	1	97	ILE	HG13	H	1.631	0.020	2
1014	1	97	ILE	HG21	H	0.959	0.020	1
1015	1	97	ILE	HG22	H	0.959	0.020	1
1016	1	97	ILE	HG23	H	0.959	0.020	1
1017	1	97	ILE	HD11	H	0.339	0.020	1
1018	1	97	ILE	HD12	H	0.339	0.020	1
1019	1	97	ILE	HD13	H	0.339	0.020	1
1020	1	97	ILE	CA	C	62.841	0.3	1
1021	1	97	ILE	CB	C	36.724	0.3	1
1022	1	97	ILE	CG1	C	30.404	0.3	1
1023	1	97	ILE	CG2	C	18.975	0.3	1
1024	1	97	ILE	CD1	C	13.087	0.3	1
1025	1	97	ILE	N	N	122.686	0.3	1
1026	1	98	SER	H	H	8.688	0.020	1
1027	1	98	SER	HA	H	4.095	0.020	1
1028	1	98	SER	HB2	H	4.079	0.020	2
1029	1	98	SER	HB3	H	4.033	0.020	2
1030	1	98	SER	CA	C	64.204	0.3	1
1031	1	98	SER	CB	C	62.886	0.3	1
1032	1	98	SER	N	N	120.442	0.3	1
1033	1	99	ASN	H	H	7.798	0.020	1
1034	1	99	ASN	HA	H	4.452	0.020	1
1035	1	99	ASN	HB2	H	2.809	0.020	2
1036	1	99	ASN	HB3	H	2.761	0.020	2
1037	1	99	ASN	HD21	H	7.607	0.020	1
1038	1	99	ASN	HD22	H	6.960	0.020	1
1039	1	99	ASN	CA	C	57.069	0.3	1
1040	1	99	ASN	CB	C	39.035	0.3	1
1041	1	99	ASN	N	N	121.439	0.3	1
1042	1	99	ASN	ND2	N	115.224	0.3	1
1043	1	100	ALA	H	H	8.396	0.020	1
1044	1	100	ALA	HA	H	4.194	0.020	1
1045	1	100	ALA	HB1	H	1.441	0.020	1
1046	1	100	ALA	HB2	H	1.441	0.020	1
1047	1	100	ALA	HB3	H	1.441	0.020	1
1048	1	100	ALA	CA	C	55.932	0.3	1
1049	1	100	ALA	CB	C	19.305	0.3	1
1050	1	100	ALA	N	N	123.811	0.3	1
1051	1	101	LEU	H	H	8.922	0.020	1
1052	1	101	LEU	HA	H	3.970	0.020	1
1053	1	101	LEU	HB2	H	1.472	0.020	2
1054	1	101	LEU	HB3	H	2.192	0.020	2
1055	1	101	LEU	HG	H	1.907	0.020	1
1056	1	101	LEU	HD11	H	0.801	0.020	2
1057	1	101	LEU	HD12	H	0.801	0.020	2
1058	1	101	LEU	HD13	H	0.801	0.020	2
1059	1	101	LEU	HD21	H	0.546	0.020	2
1060	1	101	LEU	HD22	H	0.546	0.020	2
1061	1	101	LEU	HD23	H	0.546	0.020	2
1062	1	101	LEU	CA	C	58.538	0.3	1
1063	1	101	LEU	CB	C	44.308	0.3	1
1064	1	101	LEU	CG	C	27.366	0.3	1
1065	1	101	LEU	CD1	C	26.775	0.3	1
1066	1	101	LEU	CD2	C	25.523	0.3	1
1067	1	101	LEU	N	N	120.784	0.3	1
1068	1	102	ARG	H	H	8.293	0.020	1
1069	1	102	ARG	HA	H	3.999	0.020	1
1070	1	102	ARG	HB2	H	1.837	0.020	2
1071	1	102	ARG	HB3	H	1.902	0.020	2
1072	1	102	ARG	HG2	H	1.748	0.020	2
1073	1	102	ARG	HG3	H	1.593	0.020	2
1074	1	102	ARG	HD2	H	3.090	0.020	2
1075	1	102	ARG	HD3	H	3.155	0.020	2
1076	1	102	ARG	HE	H	8.906	0.020	1
1077	1	102	ARG	CA	C	60.972	0.3	1
1078	1	102	ARG	CB	C	30.954	0.3	1
1079	1	102	ARG	CG	C	28.063	0.3	1
1080	1	102	ARG	CD	C	44.058	0.3	1
1081	1	102	ARG	N	N	120.488	0.3	1
1082	1	102	ARG	NE	N	88.800	0.3	1
1083	1	103	ASN	H	H	8.245	0.020	1
1084	1	103	ASN	HA	H	4.394	0.020	1
1085	1	103	ASN	HB2	H	2.712	0.020	1
1086	1	103	ASN	HB3	H	2.712	0.020	1
1087	1	103	ASN	HD21	H	7.194	0.020	1
1088	1	103	ASN	HD22	H	7.194	0.020	1
1089	1	103	ASN	CA	C	56.979	0.3	1
1090	1	103	ASN	CB	C	38.727	0.3	1
1091	1	103	ASN	N	N	117.713	0.3	1
1092	1	103	ASN	ND2	N	111.697	0.3	1
1093	1	104	ALA	H	H	7.991	0.020	1
1094	1	104	ALA	HA	H	4.365	0.020	1
1095	1	104	ALA	HB1	H	1.442	0.020	1
1096	1	104	ALA	HB2	H	1.442	0.020	1
1097	1	104	ALA	HB3	H	1.442	0.020	1
1098	1	104	ALA	CA	C	55.720	0.3	1
1099	1	104	ALA	CB	C	19.598	0.3	1
1100	1	104	ALA	N	N	124.277	0.3	1
1101	1	105	LEU	H	H	9.108	0.020	1
1102	1	105	LEU	HA	H	3.959	0.020	1
1103	1	105	LEU	HB2	H	1.995	0.020	2
1104	1	105	LEU	HB3	H	1.480	0.020	2
1105	1	105	LEU	HG	H	1.732	0.020	1
1106	1	105	LEU	HD11	H	0.798	0.020	2
1107	1	105	LEU	HD12	H	0.798	0.020	2
1108	1	105	LEU	HD13	H	0.798	0.020	2
1109	1	105	LEU	HD21	H	0.272	0.020	2
1110	1	105	LEU	HD22	H	0.272	0.020	2
1111	1	105	LEU	HD23	H	0.272	0.020	2
1112	1	105	LEU	CA	C	59.538	0.3	1
1113	1	105	LEU	CB	C	41.003	0.3	1
1114	1	105	LEU	CG	C	28.284	0.3	1
1115	1	105	LEU	CD1	C	26.729	0.3	1
1116	1	105	LEU	CD2	C	23.663	0.3	1
1117	1	105	LEU	N	N	123.470	0.3	1
1118	1	106	MET	H	H	8.530	0.020	1
1119	1	106	MET	HA	H	3.885	0.020	1
1120	1	106	MET	HB2	H	2.092	0.020	2
1121	1	106	MET	HB3	H	1.966	0.020	2
1122	1	106	MET	HG2	H	2.395	0.020	2
1123	1	106	MET	HG3	H	2.434	0.020	2
1124	1	106	MET	HE1	H	1.927	0.020	1
1125	1	106	MET	HE2	H	1.927	0.020	1
1126	1	106	MET	HE3	H	1.927	0.020	1
1127	1	106	MET	CA	C	59.180	0.3	1
1128	1	106	MET	CB	C	32.335	0.3	1
1129	1	106	MET	CG	C	32.757	0.3	1
1130	1	106	MET	CE	C	17.626	0.3	1
1131	1	106	MET	N	N	124.820	0.3	1
1132	1	107	SER	H	H	8.296	0.020	1
1133	1	107	SER	HA	H	4.123	0.020	1
1134	1	107	SER	HB2	H	3.944	0.020	2
1135	1	107	SER	HB3	H	3.903	0.020	2
1136	1	107	SER	CA	C	62.411	0.3	1
1137	1	107	SER	CB	C	63.875	0.3	1
1138	1	107	SER	N	N	115.346	0.3	1
1139	1	108	THR	H	H	7.544	0.020	1
1140	1	108	THR	HA	H	4.352	0.020	1
1141	1	108	THR	HB	H	4.110	0.020	1
1142	1	108	THR	HG21	H	1.229	0.020	1
1143	1	108	THR	HG22	H	1.229	0.020	1
1144	1	108	THR	HG23	H	1.229	0.020	1
1145	1	108	THR	CA	C	64.762	0.3	1
1146	1	108	THR	CB	C	71.222	0.3	1
1147	1	108	THR	CG2	C	22.790	0.3	1
1148	1	108	THR	N	N	110.460	0.3	1
1149	1	109	THR	H	H	8.163	0.020	1
1150	1	109	THR	HA	H	4.681	0.020	1
1151	1	109	THR	HB	H	4.241	0.020	1
1152	1	109	THR	HG21	H	1.017	0.020	1
1153	1	109	THR	HG22	H	1.017	0.020	1
1154	1	109	THR	HG23	H	1.017	0.020	1
1155	1	109	THR	CA	C	62.606	0.3	1
1156	1	109	THR	CB	C	72.578	0.3	1
1157	1	109	THR	CG2	C	21.718	0.3	1
1158	1	109	THR	N	N	111.837	0.3	1
1159	1	110	GLY	H	H	7.730	0.020	1
1160	1	110	GLY	HA2	H	4.218	0.020	2
1161	1	110	GLY	HA3	H	3.801	0.020	2
1162	1	110	GLY	CA	C	46.441	0.3	1
1163	1	110	GLY	N	N	112.145	0.3	1
1164	1	111	SER	H	H	7.816	0.020	1
1165	1	111	SER	HA	H	4.957	0.020	1
1166	1	111	SER	HB2	H	3.573	0.020	2
1167	1	111	SER	HB3	H	3.661	0.020	2
1168	1	111	SER	CA	C	55.500	0.3	1
1169	1	111	SER	CB	C	65.885	0.3	1
1170	1	111	SER	N	N	117.187	0.3	1
1171	1	112	PRO	HA	H	4.352	0.020	1
1172	1	112	PRO	HB2	H	1.962	0.020	2
1173	1	112	PRO	HB3	H	2.193	0.020	2
1174	1	112	PRO	HG2	H	1.989	0.020	1
1175	1	112	PRO	HG3	H	1.989	0.020	1
1176	1	112	PRO	HD2	H	3.796	0.020	2
1177	1	112	PRO	HD3	H	3.683	0.020	2
1178	1	112	PRO	CA	C	64.273	0.3	1
1179	1	112	PRO	CB	C	32.880	0.3	1
1180	1	112	PRO	CG	C	27.694	0.3	1
1181	1	112	PRO	CD	C	51.350	0.3	1
1182	1	113	ASN	H	H	8.300	0.020	1
1183	1	113	ASN	HA	H	4.122	0.020	1
1184	1	113	ASN	HB2	H	3.082	0.020	2
1185	1	113	ASN	HB3	H	2.409	0.020	2
1186	1	113	ASN	HD21	H	7.412	0.020	1
1187	1	113	ASN	HD22	H	6.943	0.020	1
1188	1	113	ASN	CA	C	54.248	0.3	1
1189	1	113	ASN	CB	C	39.632	0.3	1
1190	1	113	ASN	N	N	115.399	0.3	1
1191	1	113	ASN	ND2	N	114.437	0.3	1
1192	1	114	GLU	H	H	8.484	0.020	1
1193	1	114	GLU	HA	H	3.802	0.020	1
1194	1	114	GLU	HB2	H	1.860	0.020	2
1195	1	114	GLU	HB3	H	1.803	0.020	2
1196	1	114	GLU	HG2	H	2.280	0.020	2
1197	1	114	GLU	HG3	H	2.171	0.020	2
1198	1	114	GLU	CA	C	59.244	0.3	1
1199	1	114	GLU	CB	C	29.965	0.3	1
1200	1	114	GLU	CG	C	36.505	0.3	1
1201	1	114	GLU	N	N	120.604	0.3	1
1202	1	115	GLU	H	H	8.719	0.020	1
1203	1	115	GLU	HA	H	4.040	0.020	1
1204	1	115	GLU	HB2	H	1.994	0.020	2
1205	1	115	GLU	HB3	H	1.848	0.020	2
1206	1	115	GLU	HG2	H	2.265	0.020	1
1207	1	115	GLU	HG3	H	2.265	0.020	1
1208	1	115	GLU	CA	C	60.527	0.3	1
1209	1	115	GLU	CB	C	29.336	0.3	1
1210	1	115	GLU	CG	C	36.592	0.3	1
1211	1	115	GLU	N	N	120.305	0.3	1
1212	1	116	PHE	H	H	7.715	0.020	1
1213	1	116	PHE	HA	H	3.985	0.020	1
1214	1	116	PHE	HB2	H	3.012	0.020	2
1215	1	116	PHE	HB3	H	2.869	0.020	2
1216	1	116	PHE	HD1	H	6.953	0.020	1
1217	1	116	PHE	HD2	H	6.953	0.020	1
1218	1	116	PHE	HE1	H	6.793	0.020	1
1219	1	116	PHE	HE2	H	6.793	0.020	1
1220	1	116	PHE	HZ	H	6.603	0.020	1
1221	1	116	PHE	CA	C	62.227	0.3	1
1222	1	116	PHE	CB	C	40.271	0.3	1
1223	1	116	PHE	CD1	C	131.318	0.3	1
1224	1	116	PHE	CE1	C	129.651	0.3	1
1225	1	116	PHE	CZ	C	128.046	0.3	1
1226	1	116	PHE	N	N	122.753	0.3	1
1227	1	117	VAL	H	H	7.506	0.020	1
1228	1	117	VAL	HA	H	3.124	0.020	1
1229	1	117	VAL	HB	H	2.051	0.020	1
1230	1	117	VAL	HG11	H	0.842	0.020	2
1231	1	117	VAL	HG12	H	0.842	0.020	2
1232	1	117	VAL	HG13	H	0.842	0.020	2
1233	1	117	VAL	HG21	H	0.997	0.020	2
1234	1	117	VAL	HG22	H	0.997	0.020	2
1235	1	117	VAL	HG23	H	0.997	0.020	2
1236	1	117	VAL	CA	C	68.045	0.3	1
1237	1	117	VAL	CB	C	32.035	0.3	1
1238	1	117	VAL	CG1	C	22.052	0.3	1
1239	1	117	VAL	CG2	C	23.638	0.3	1
1240	1	117	VAL	N	N	119.587	0.3	1
1241	1	118	HIS	H	H	8.813	0.020	1
1242	1	118	HIS	HA	H	4.132	0.020	1
1243	1	118	HIS	HB2	H	3.261	0.020	1
1244	1	118	HIS	HB3	H	3.261	0.020	1
1245	1	118	HIS	HD2	H	7.225	0.020	1
1246	1	118	HIS	HE1	H	8.506	0.020	1
1247	1	118	HIS	CA	C	58.963	0.3	1
1248	1	118	HIS	CB	C	28.664	0.3	1
1249	1	118	HIS	CD2	C	120.237	0.3	1
1250	1	118	HIS	CE1	C	136.436	0.3	1
1251	1	118	HIS	N	N	119.080	0.3	1
1252	1	119	GLU	H	H	7.814	0.020	1
1253	1	119	GLU	HA	H	3.777	0.020	1
1254	1	119	GLU	HB2	H	2.153	0.020	2
1255	1	119	GLU	HB3	H	1.841	0.020	2
1256	1	119	GLU	HG2	H	2.240	0.020	2
1257	1	119	GLU	HG3	H	2.382	0.020	2
1258	1	119	GLU	CA	C	60.138	0.3	1
1259	1	119	GLU	CB	C	29.583	0.3	1
1260	1	119	GLU	CG	C	33.906	0.3	1
1261	1	119	GLU	N	N	121.476	0.3	1
1262	1	120	VAL	H	H	7.598	0.020	1
1263	1	120	VAL	HA	H	3.160	0.020	1
1264	1	120	VAL	HB	H	2.015	0.020	1
1265	1	120	VAL	HG11	H	0.677	0.020	2
1266	1	120	VAL	HG12	H	0.677	0.020	2
1267	1	120	VAL	HG13	H	0.677	0.020	2
1268	1	120	VAL	HG21	H	0.502	0.020	2
1269	1	120	VAL	HG22	H	0.502	0.020	2
1270	1	120	VAL	HG23	H	0.502	0.020	2
1271	1	120	VAL	CA	C	68.106	0.3	1
1272	1	120	VAL	CB	C	31.834	0.3	1
1273	1	120	VAL	CG1	C	21.496	0.3	1
1274	1	120	VAL	CG2	C	23.342	0.3	1
1275	1	120	VAL	N	N	119.709	0.3	1
1276	1	121	GLN	H	H	8.021	0.020	1
1277	1	121	GLN	HA	H	3.634	0.020	1
1278	1	121	GLN	HB2	H	1.853	0.020	2
1279	1	121	GLN	HB3	H	2.219	0.020	2
1280	1	121	GLN	HG2	H	1.900	0.020	2
1281	1	121	GLN	HG3	H	2.529	0.020	2
1282	1	121	GLN	HE21	H	6.603	0.020	1
1283	1	121	GLN	HE22	H	7.289	0.020	1
1284	1	121	GLN	CA	C	60.543	0.3	1
1285	1	121	GLN	CB	C	28.074	0.3	1
1286	1	121	GLN	CG	C	34.272	0.3	1
1287	1	121	GLN	N	N	119.342	0.3	1
1288	1	121	GLN	NE2	N	110.177	0.3	1
1289	1	122	ASP	H	H	8.674	0.020	1
1290	1	122	ASP	HA	H	4.185	0.020	1
1291	1	122	ASP	HB2	H	2.752	0.020	2
1292	1	122	ASP	HB3	H	2.697	0.020	2
1293	1	122	ASP	CA	C	57.092	0.3	1
1294	1	122	ASP	CB	C	38.919	0.3	1
1295	1	122	ASP	N	N	122.322	0.3	1
1296	1	123	LEU	H	H	8.311	0.020	1
1297	1	123	LEU	HA	H	3.845	0.020	1
1298	1	123	LEU	HB2	H	0.933	0.020	2
1299	1	123	LEU	HB3	H	1.903	0.020	2
1300	1	123	LEU	HG	H	1.419	0.020	1
1301	1	123	LEU	HD11	H	0.664	0.020	2
1302	1	123	LEU	HD12	H	0.664	0.020	2
1303	1	123	LEU	HD13	H	0.664	0.020	2
1304	1	123	LEU	HD21	H	0.535	0.020	2
1305	1	123	LEU	HD22	H	0.535	0.020	2
1306	1	123	LEU	HD23	H	0.535	0.020	2
1307	1	123	LEU	CA	C	59.362	0.3	1
1308	1	123	LEU	CB	C	42.519	0.3	1
1309	1	123	LEU	CG	C	28.912	0.3	1
1310	1	123	LEU	CD1	C	24.282	0.3	1
1311	1	123	LEU	CD2	C	26.773	0.3	1
1312	1	123	LEU	N	N	124.556	0.3	1
1313	1	124	ILE	H	H	8.526	0.020	1
1314	1	124	ILE	HA	H	3.387	0.020	1
1315	1	124	ILE	HB	H	1.795	0.020	1
1316	1	124	ILE	HG12	H	1.811	0.020	2
1317	1	124	ILE	HG13	H	1.310	0.020	2
1318	1	124	ILE	HG21	H	0.704	0.020	1
1319	1	124	ILE	HG22	H	0.704	0.020	1
1320	1	124	ILE	HG23	H	0.704	0.020	1
1321	1	124	ILE	HD11	H	0.887	0.020	1
1322	1	124	ILE	HD12	H	0.887	0.020	1
1323	1	124	ILE	HD13	H	0.887	0.020	1
1324	1	124	ILE	CA	C	66.992	0.3	1
1325	1	124	ILE	CB	C	38.951	0.3	1
1326	1	124	ILE	CG1	C	30.116	0.3	1
1327	1	124	ILE	CG2	C	17.502	0.3	1
1328	1	124	ILE	CD1	C	16.606	0.3	1
1329	1	124	ILE	N	N	123.375	0.3	1
1330	1	125	GLN	H	H	7.416	0.020	1
1331	1	125	GLN	HA	H	3.872	0.020	1
1332	1	125	GLN	HB2	H	1.996	0.020	2
1333	1	125	GLN	HB3	H	2.062	0.020	2
1334	1	125	GLN	HG2	H	2.230	0.020	2
1335	1	125	GLN	HG3	H	2.306	0.020	2
1336	1	125	GLN	HE21	H	7.327	0.020	1
1337	1	125	GLN	HE22	H	6.729	0.020	1
1338	1	125	GLN	CA	C	59.685	0.3	1
1339	1	125	GLN	CB	C	28.774	0.3	1
1340	1	125	GLN	CG	C	34.520	0.3	1
1341	1	125	GLN	N	N	119.189	0.3	1
1342	1	125	GLN	NE2	N	113.780	0.3	1
1343	1	126	MET	H	H	7.793	0.020	1
1344	1	126	MET	HA	H	4.090	0.020	1
1345	1	126	MET	HB2	H	1.821	0.020	2
1346	1	126	MET	HB3	H	2.283	0.020	2
1347	1	126	MET	HG2	H	2.463	0.020	2
1348	1	126	MET	HG3	H	2.635	0.020	2
1349	1	126	MET	HE1	H	1.780	0.020	1
1350	1	126	MET	HE2	H	1.780	0.020	1
1351	1	126	MET	HE3	H	1.780	0.020	1
1352	1	126	MET	CA	C	59.617	0.3	1
1353	1	126	MET	CB	C	33.646	0.3	1
1354	1	126	MET	CG	C	32.691	0.3	1
1355	1	126	MET	CE	C	19.066	0.3	1
1356	1	126	MET	N	N	120.783	0.3	1
1357	1	127	LEU	H	H	9.174	0.020	1
1358	1	127	LEU	HA	H	3.790	0.020	1
1359	1	127	LEU	HB2	H	1.908	0.020	2
1360	1	127	LEU	HB3	H	1.842	0.020	2
1361	1	127	LEU	HG	H	1.820	0.020	1
1362	1	127	LEU	HD11	H	0.787	0.020	2
1363	1	127	LEU	HD12	H	0.787	0.020	2
1364	1	127	LEU	HD13	H	0.787	0.020	2
1365	1	127	LEU	HD21	H	0.687	0.020	2
1366	1	127	LEU	HD22	H	0.687	0.020	2
1367	1	127	LEU	HD23	H	0.687	0.020	2
1368	1	127	LEU	CA	C	58.321	0.3	1
1369	1	127	LEU	CB	C	42.669	0.3	1
1370	1	127	LEU	CG	C	28.393	0.3	1
1371	1	127	LEU	CD1	C	27.097	0.3	1
1372	1	127	LEU	CD2	C	22.868	0.3	1
1373	1	127	LEU	N	N	121.142	0.3	1
1374	1	128	SER	H	H	8.082	0.020	1
1375	1	128	SER	HA	H	3.980	0.020	1
1376	1	128	SER	HB2	H	3.956	0.020	2
1377	1	128	SER	HB3	H	3.916	0.020	2
1378	1	128	SER	CA	C	63.051	0.3	1
1379	1	128	SER	CB	C	63.908	0.3	1
1380	1	128	SER	N	N	119.093	0.3	1
1381	1	129	GLN	H	H	7.152	0.020	1
1382	1	129	GLN	HA	H	4.464	0.020	1
1383	1	129	GLN	HB2	H	2.319	0.020	2
1384	1	129	GLN	HB3	H	1.992	0.020	2
1385	1	129	GLN	HG2	H	2.318	0.020	2
1386	1	129	GLN	HG3	H	2.271	0.020	2
1387	1	129	GLN	HE21	H	7.766	0.020	1
1388	1	129	GLN	HE22	H	6.930	0.020	1
1389	1	129	GLN	CA	C	55.504	0.3	1
1390	1	129	GLN	CB	C	29.944	0.3	1
1391	1	129	GLN	CG	C	34.386	0.3	1
1392	1	129	GLN	N	N	118.303	0.3	1
1393	1	129	GLN	NE2	N	117.901	0.3	1
1394	1	130	GLU	H	H	7.288	0.020	1
1395	1	130	GLU	HA	H	4.403	0.020	1
1396	1	130	GLU	HB2	H	2.341	0.020	1
1397	1	130	GLU	HB3	H	2.341	0.020	1
1398	1	130	GLU	HG2	H	2.563	0.020	2
1399	1	130	GLU	HG3	H	2.506	0.020	2
1400	1	130	GLU	CA	C	55.674	0.3	1
1401	1	130	GLU	CB	C	30.440	0.3	1
1402	1	130	GLU	CG	C	34.436	0.3	1
1403	1	130	GLU	N	N	119.432	0.3	1
1404	1	131	GLN	H	H	8.824	0.020	1
1405	1	131	GLN	HA	H	3.830	0.020	1
1406	1	131	GLN	HB2	H	1.994	0.020	1
1407	1	131	GLN	HB3	H	1.994	0.020	1
1408	1	131	GLN	HG2	H	2.242	0.020	2
1409	1	131	GLN	HG3	H	2.281	0.020	2
1410	1	131	GLN	HE21	H	6.737	0.020	1
1411	1	131	GLN	HE22	H	7.336	0.020	1
1412	1	131	GLN	CA	C	60.048	0.3	1
1413	1	131	GLN	CB	C	30.493	0.3	1
1414	1	131	GLN	CG	C	36.530	0.3	1
1415	1	131	GLN	N	N	126.058	0.3	1
1416	1	131	GLN	NE2	N	113.250	0.3	1
1417	1	132	ILE	H	H	8.095	0.020	1
1418	1	132	ILE	HA	H	3.968	0.020	1
1419	1	132	ILE	HB	H	1.798	0.020	1
1420	1	132	ILE	HG12	H	1.387	0.020	2
1421	1	132	ILE	HG13	H	0.966	0.020	2
1422	1	132	ILE	HG21	H	0.586	0.020	1
1423	1	132	ILE	HG22	H	0.586	0.020	1
1424	1	132	ILE	HG23	H	0.586	0.020	1
1425	1	132	ILE	HD11	H	0.748	0.020	1
1426	1	132	ILE	HD12	H	0.748	0.020	1
1427	1	132	ILE	HD13	H	0.748	0.020	1
1428	1	132	ILE	CA	C	63.301	0.3	1
1429	1	132	ILE	CB	C	38.048	0.3	1
1430	1	132	ILE	CG1	C	28.933	0.3	1
1431	1	132	ILE	CG2	C	16.473	0.3	1
1432	1	132	ILE	CD1	C	14.619	0.3	1
1433	1	132	ILE	N	N	118.967	0.3	1
1434	1	133	ASN	H	H	7.632	0.020	1
1435	1	133	ASN	HA	H	5.005	0.020	1
1436	1	133	ASN	HB2	H	2.968	0.020	2
1437	1	133	ASN	HB3	H	2.447	0.020	2
1438	1	133	ASN	HD21	H	7.067	0.020	1
1439	1	133	ASN	HD22	H	7.418	0.020	1
1440	1	133	ASN	C	C	171.591	0.3	1
1441	1	133	ASN	CA	C	53.313	0.3	1
1442	1	133	ASN	CB	C	40.506	0.3	1
1443	1	133	ASN	N	N	117.224	0.3	1
1444	1	133	ASN	ND2	N	113.883	0.3	1
1445	1	134	GLU	H	H	7.715	0.020	1
1446	1	134	GLU	HA	H	3.994	0.020	1
1447	1	134	GLU	HB2	H	1.897	0.020	2
1448	1	134	GLU	HB3	H	2.012	0.020	2
1449	1	134	GLU	HG2	H	2.236	0.020	1
1450	1	134	GLU	HG3	H	2.236	0.020	1
1451	1	134	GLU	C	C	172.695	0.3	1
1452	1	134	GLU	CA	C	59.801	0.3	1
1453	1	134	GLU	CB	C	30.524	0.3	1
1454	1	134	GLU	CG	C	35.660	0.3	1
1455	1	134	GLU	N	N	123.085	0.3	1
1456	1	135	VAL	H	H	7.603	0.020	1
1457	1	135	VAL	HA	H	3.951	0.020	1
1458	1	135	VAL	HB	H	1.995	0.020	1
1459	1	135	VAL	HG11	H	0.815	0.020	2
1460	1	135	VAL	HG12	H	0.815	0.020	2
1461	1	135	VAL	HG13	H	0.815	0.020	2
1462	1	135	VAL	HG21	H	0.799	0.020	2
1463	1	135	VAL	HG22	H	0.799	0.020	2
1464	1	135	VAL	HG23	H	0.799	0.020	2
1465	1	135	VAL	C	C	178.187	0.3	1
1466	1	135	VAL	CA	C	64.081	0.3	1
1467	1	135	VAL	CB	C	33.865	0.3	1
1468	1	135	VAL	CG1	C	22.162	0.3	1
1469	1	135	VAL	CG2	C	20.828	0.3	1
1470	1	135	VAL	N	N	125.455	0.3	1

Release date

2020-08-31

Citation

The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence
Sarr, M., Kitoka, K., Walsh-White, K.A., Kaldmae, M., Metlans, R., Tars, K., Mantese, A., Shah, D., Landreh, M., Rising, A., Johansson, J., Jaudzems, K., Kronqvist, N.
J. Biol. Chem. (2022), 298, 101913-101913, PubMed 35398358 , DOI 10.1016/j.jbc.2022.101913 , Abstract

Related entities 1. Flagelliform spidroin variant 1, : 1 : 2 : 20 entities Detail

Experiments performed 6 experiments Detail

1 3D 1H-15N NOESY

Instrument

Bruker AVANCE - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 5.5 (±0.1), Details 1.2 mM [U-13C; U-15N] Flagelliform spidroin N-terminal domain, 20 mM [U-100% 2H] sodium acetate, 20 mM sodium chloride, 0.03 % sodium azide, 10 % [U-2H] D2O, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Flagelliform spidroin N-terminal domain	[U-13C; U-15N]	1.2 mM
2	sodium acetate	[U-100% 2H]	20 mM
3	sodium chloride	natural abundance	20 mM
4	sodium azide	natural abundance	0.03 %
5	D2O	[U-2H]	10 %

2 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Flagelliform spidroin N-terminal domain	[U-13C; U-15N]	1.2 mM
2	sodium acetate	[U-100% 2H]	20 mM
3	sodium chloride	natural abundance	20 mM
4	sodium azide	natural abundance	0.03 %
5	D2O	[U-2H]	10 %

3 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Flagelliform spidroin N-terminal domain	[U-13C; U-15N]	1.2 mM
2	sodium acetate	[U-100% 2H]	20 mM
3	sodium chloride	natural abundance	20 mM
4	sodium azide	natural abundance	0.03 %
5	D2O	[U-2H]	10 %

4 3D HN(CA)CO

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Flagelliform spidroin N-terminal domain	[U-13C; U-15N]	1.2 mM
2	sodium acetate	[U-100% 2H]	20 mM
3	sodium chloride	natural abundance	20 mM
4	sodium azide	natural abundance	0.03 %
5	D2O	[U-2H]	10 %

5 3D CBCA(CO)NH

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Flagelliform spidroin N-terminal domain	[U-13C; U-15N]	1.2 mM
2	sodium acetate	[U-100% 2H]	20 mM
3	sodium chloride	natural abundance	20 mM
4	sodium azide	natural abundance	0.03 %
5	D2O	[U-2H]	10 %

6 3D HNCA

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Flagelliform spidroin N-terminal domain	[U-13C; U-15N]	1.2 mM
2	sodium acetate	[U-100% 2H]	20 mM
3	sodium chloride	natural abundance	20 mM
4	sodium azide	natural abundance	0.03 %
5	D2O	[U-2H]	10 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34551_3.str
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

Content subtype: bmr34551_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1470		100.0 (chain: 1, length: 135)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 135, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 901
  - ¹³C chemical shifts: 414
  - ¹⁵N chemical shifts: 155
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	758	751	99.1
¹³C chemical shifts	558	414	74.2
¹⁵N chemical shifts	156	155	99.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	277	276	99.6
¹³C chemical shifts	270	138	51.1
¹⁵N chemical shifts	132	131	99.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	481	475	98.8
¹³C chemical shifts	288	276	95.8
¹⁵N chemical shifts	24	24	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	75	75	100.0
¹³C chemical shifts	75	75	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	34	34	100.0
¹³C chemical shifts	34	22	64.7

Keywords FLAGELLIFORM SPIDROIN, NT DOMAIN, STRUCTURAL PROTEIN, pH 5.5

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Found 1 Document (0.48 seconds)

BMRB: 34551

Related entities 1. Flagelliform spidroin variant 1, : 1 : 2 : 20 entities Detail

Experiments performed 6 experiments Detail

Instrument

Sample

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Sample

Instrument

Sample

Instrument

Sample

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Chemical shift validation 3 contents Detail