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BMRB: 34473

6TV5

NMR structure of N-terminal domain from A. argentata tubuliform spidroin (TuSp) at pH 5.5

Authors

Fridmanis, J., Jaudzems, K.

Assembly

Tubuliform spidroin 1

Entity

1. Tubuliform spidroin 1 (polymer, Thiol state: all disulfide bound), 137 monomers, 14053.43 × 2 Da Detail

GAVTAVPSVF SSPNLASGFL QCLTFGIGNS PAFPTQEQQD LDAIAQVILN AVSTNTGATA SARAQALSTA LASSLTDLLI AESAESNYNN QLSELTGILS NCFIQTTGSD NPAFVSRIQS LISVLSQNTD VNIISTA

Total weight

28106.86 Da

Max. entity weight

14053.43 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS22:SG	1:CYS102:SG
2	disulfide	sing	2:CYS22:SG	2:CYS102:SG

Source organism

Argiope argentata

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 930, ¹³C: 523, ¹⁵N: 156 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	GLY	HA2	H	3.831	0.020	1
2	1	1	GLY	HA3	H	3.831	0.020	1
3	1	1	GLY	CA	C	43.549	0.3	1
4	1	2	ALA	H	H	8.573	0.020	1
5	1	2	ALA	HA	H	4.394	0.020	1
6	1	2	ALA	HB1	H	1.366	0.020	1
7	1	2	ALA	HB2	H	1.366	0.020	1
8	1	2	ALA	HB3	H	1.366	0.020	1
9	1	2	ALA	C	C	177.574	0.3	1
10	1	2	ALA	CA	C	52.863	0.3	1
11	1	2	ALA	CB	C	19.797	0.3	1
12	1	2	ALA	N	N	123.689	0.3	1
13	1	3	VAL	H	H	8.332	0.020	1
14	1	3	VAL	HA	H	4.171	0.020	1
15	1	3	VAL	HB	H	2.062	0.020	1
16	1	3	VAL	HG11	H	0.926	0.020	2
17	1	3	VAL	HG12	H	0.926	0.020	2
18	1	3	VAL	HG13	H	0.926	0.020	2
19	1	3	VAL	HG21	H	0.943	0.020	2
20	1	3	VAL	HG22	H	0.943	0.020	2
21	1	3	VAL	HG23	H	0.943	0.020	2
22	1	3	VAL	C	C	176.148	0.3	1
23	1	3	VAL	CA	C	62.585	0.3	1
24	1	3	VAL	CB	C	33.062	0.3	1
25	1	3	VAL	CG1	C	21.454	0.3	1
26	1	3	VAL	CG2	C	20.890	0.3	1
27	1	3	VAL	N	N	120.052	0.3	1
28	1	4	THR	H	H	8.232	0.020	1
29	1	4	THR	HA	H	4.305	0.020	1
30	1	4	THR	HB	H	4.136	0.020	1
31	1	4	THR	HG21	H	1.185	0.020	1
32	1	4	THR	HG22	H	1.185	0.020	1
33	1	4	THR	HG23	H	1.185	0.020	1
34	1	4	THR	C	C	173.634	0.3	1
35	1	4	THR	CA	C	61.969	0.3	1
36	1	4	THR	CB	C	70.169	0.3	1
37	1	4	THR	CG2	C	21.845	0.3	1
38	1	4	THR	N	N	118.935	0.3	1
39	1	5	ALA	H	H	8.325	0.020	1
40	1	5	ALA	HA	H	4.356	0.020	1
41	1	5	ALA	HB1	H	1.326	0.020	1
42	1	5	ALA	HB2	H	1.326	0.020	1
43	1	5	ALA	HB3	H	1.326	0.020	1
44	1	5	ALA	C	C	177.006	0.3	1
45	1	5	ALA	CA	C	52.417	0.3	1
46	1	5	ALA	CB	C	19.631	0.3	1
47	1	5	ALA	N	N	127.193	0.3	1
48	1	6	VAL	H	H	8.163	0.020	1
49	1	6	VAL	HA	H	4.363	0.020	1
50	1	6	VAL	HB	H	2.034	0.020	1
51	1	6	VAL	HG11	H	0.984	0.020	2
52	1	6	VAL	HG12	H	0.984	0.020	2
53	1	6	VAL	HG13	H	0.984	0.020	2
54	1	6	VAL	HG21	H	0.949	0.020	2
55	1	6	VAL	HG22	H	0.949	0.020	2
56	1	6	VAL	HG23	H	0.949	0.020	2
57	1	6	VAL	C	C	174.347	0.3	1
58	1	6	VAL	CA	C	60.052	0.3	1
59	1	6	VAL	CB	C	33.112	0.3	1
60	1	6	VAL	CG1	C	21.139	0.3	1
61	1	6	VAL	CG2	C	21.090	0.3	1
62	1	6	VAL	N	N	122.200	0.3	1
63	1	7	PRO	HA	H	4.355	0.020	1
64	1	7	PRO	HB2	H	2.248	0.020	2
65	1	7	PRO	HB3	H	1.741	0.020	2
66	1	7	PRO	HG2	H	1.987	0.020	1
67	1	7	PRO	HG3	H	1.987	0.020	1
68	1	7	PRO	HD2	H	3.732	0.020	2
69	1	7	PRO	HD3	H	3.910	0.020	2
70	1	7	PRO	CA	C	63.385	0.3	1
71	1	7	PRO	CB	C	32.778	0.3	1
72	1	7	PRO	CG	C	27.787	0.3	1
73	1	7	PRO	CD	C	51.304	0.3	1
74	1	8	SER	H	H	8.283	0.020	1
75	1	8	SER	HA	H	4.652	0.020	1
76	1	8	SER	HB2	H	3.802	0.020	2
77	1	8	SER	HB3	H	4.001	0.020	2
78	1	8	SER	C	C	177.308	0.3	1
79	1	8	SER	CA	C	56.888	0.3	1
80	1	8	SER	CB	C	64.773	0.3	1
81	1	8	SER	N	N	114.897	0.3	1
82	1	9	VAL	H	H	8.617	0.020	1
83	1	9	VAL	HA	H	3.470	0.020	1
84	1	9	VAL	HB	H	1.207	0.020	1
85	1	9	VAL	HG11	H	-0.030	0.020	2
86	1	9	VAL	HG12	H	-0.030	0.020	2
87	1	9	VAL	HG13	H	-0.030	0.020	2
88	1	9	VAL	HG21	H	-0.063	0.020	2
89	1	9	VAL	HG22	H	-0.063	0.020	2
90	1	9	VAL	HG23	H	-0.063	0.020	2
91	1	9	VAL	C	C	173.006	0.3	1
92	1	9	VAL	CA	C	64.967	0.3	1
93	1	9	VAL	CB	C	31.725	0.3	1
94	1	9	VAL	CG1	C	20.979	0.3	1
95	1	9	VAL	CG2	C	20.713	0.3	1
96	1	9	VAL	N	N	124.095	0.3	1
97	1	10	PHE	H	H	7.262	0.020	1
98	1	10	PHE	HA	H	4.293	0.020	1
99	1	10	PHE	HB2	H	2.574	0.020	2
100	1	10	PHE	HB3	H	3.561	0.020	2
101	1	10	PHE	HD1	H	7.000	0.020	1
102	1	10	PHE	HD2	H	7.000	0.020	1
103	1	10	PHE	HE1	H	6.989	0.020	1
104	1	10	PHE	HZ	H	6.828	0.020	1
105	1	10	PHE	C	C	173.683	0.3	1
106	1	10	PHE	CA	C	59.076	0.3	1
107	1	10	PHE	CB	C	39.617	0.3	1
108	1	10	PHE	CD1	C	131.631	0.3	1
109	1	10	PHE	CE1	C	130.938	0.3	1
110	1	10	PHE	CZ	C	128.434	0.3	1
111	1	10	PHE	N	N	109.518	0.3	1
112	1	11	SER	H	H	7.451	0.020	1
113	1	11	SER	HA	H	4.746	0.020	1
114	1	11	SER	HB2	H	4.087	0.020	2
115	1	11	SER	HB3	H	3.662	0.020	2
116	1	11	SER	C	C	173.018	0.3	1
117	1	11	SER	CA	C	57.693	0.3	1
118	1	11	SER	CB	C	65.668	0.3	1
119	1	11	SER	N	N	110.316	0.3	1
120	1	12	SER	H	H	6.906	0.020	1
121	1	12	SER	HA	H	5.147	0.020	1
122	1	12	SER	HB2	H	3.904	0.020	2
123	1	12	SER	HB3	H	3.778	0.020	2
124	1	12	SER	C	C	172.438	0.3	1
125	1	12	SER	CA	C	54.102	0.3	1
126	1	12	SER	CB	C	64.716	0.3	1
127	1	12	SER	N	N	115.378	0.3	1
128	1	13	PRO	HA	H	4.079	0.020	1
129	1	13	PRO	HB2	H	2.391	0.020	2
130	1	13	PRO	HB3	H	2.002	0.020	2
131	1	13	PRO	HG2	H	2.183	0.020	2
132	1	13	PRO	HG3	H	1.919	0.020	2
133	1	13	PRO	HD2	H	3.594	0.020	2
134	1	13	PRO	HD3	H	3.971	0.020	2
135	1	13	PRO	CA	C	65.713	0.3	1
136	1	13	PRO	CB	C	32.566	0.3	1
137	1	13	PRO	CG	C	27.848	0.3	1
138	1	13	PRO	CD	C	51.331	0.3	1
139	1	14	ASN	H	H	8.409	0.020	1
140	1	14	ASN	HA	H	4.468	0.020	1
141	1	14	ASN	HB2	H	2.705	0.020	1
142	1	14	ASN	HB3	H	2.705	0.020	1
143	1	14	ASN	HD21	H	7.024	0.020	1
144	1	14	ASN	HD22	H	7.685	0.020	1
145	1	14	ASN	CA	C	56.622	0.3	1
146	1	14	ASN	CB	C	38.156	0.3	1
147	1	14	ASN	N	N	114.978	0.3	1
148	1	14	ASN	ND2	N	113.621	0.3	1
149	1	15	LEU	H	H	7.397	0.020	1
150	1	15	LEU	HA	H	4.198	0.020	1
151	1	15	LEU	HB2	H	1.905	0.020	2
152	1	15	LEU	HB3	H	1.169	0.020	2
153	1	15	LEU	HG	H	1.683	0.020	1
154	1	15	LEU	HD11	H	0.794	0.020	2
155	1	15	LEU	HD12	H	0.794	0.020	2
156	1	15	LEU	HD13	H	0.794	0.020	2
157	1	15	LEU	HD21	H	0.778	0.020	2
158	1	15	LEU	HD22	H	0.778	0.020	2
159	1	15	LEU	HD23	H	0.778	0.020	2
160	1	15	LEU	CA	C	57.235	0.3	1
161	1	15	LEU	CB	C	42.503	0.3	1
162	1	15	LEU	CG	C	26.974	0.3	1
163	1	15	LEU	CD1	C	22.881	0.3	1
164	1	15	LEU	CD2	C	25.804	0.3	1
165	1	15	LEU	N	N	120.544	0.3	1
166	1	16	ALA	H	H	8.605	0.020	1
167	1	16	ALA	HA	H	3.816	0.020	1
168	1	16	ALA	HB1	H	1.595	0.020	1
169	1	16	ALA	HB2	H	1.595	0.020	1
170	1	16	ALA	HB3	H	1.595	0.020	1
171	1	16	ALA	C	C	179.471	0.3	1
172	1	16	ALA	CA	C	56.399	0.3	1
173	1	16	ALA	CB	C	18.716	0.3	1
174	1	16	ALA	N	N	123.460	0.3	1
175	1	17	SER	H	H	7.975	0.020	1
176	1	17	SER	HA	H	4.168	0.020	1
177	1	17	SER	HB2	H	3.975	0.020	2
178	1	17	SER	HB3	H	3.932	0.020	2
179	1	17	SER	C	C	178.081	0.3	1
180	1	17	SER	CA	C	61.459	0.3	1
181	1	17	SER	CB	C	62.931	0.3	1
182	1	17	SER	N	N	111.307	0.3	1
183	1	18	GLY	H	H	7.700	0.020	1
184	1	18	GLY	HA2	H	3.849	0.020	2
185	1	18	GLY	HA3	H	3.979	0.020	2
186	1	18	GLY	C	C	176.245	0.3	1
187	1	18	GLY	CA	C	47.411	0.3	1
188	1	18	GLY	N	N	109.567	0.3	1
189	1	19	PHE	H	H	9.107	0.020	1
190	1	19	PHE	HA	H	3.841	0.020	1
191	1	19	PHE	HB2	H	2.956	0.020	2
192	1	19	PHE	HB3	H	2.905	0.020	2
193	1	19	PHE	HD1	H	6.628	0.020	1
194	1	19	PHE	HD2	H	6.628	0.020	1
195	1	19	PHE	HE1	H	6.857	0.020	1
196	1	19	PHE	HE2	H	6.857	0.020	1
197	1	19	PHE	HZ	H	6.133	0.020	1
198	1	19	PHE	C	C	176.245	0.3	1
199	1	19	PHE	CA	C	62.713	0.3	1
200	1	19	PHE	CB	C	40.215	0.3	1
201	1	19	PHE	CD1	C	131.225	0.3	1
202	1	19	PHE	CE1	C	131.056	0.3	1
203	1	19	PHE	CZ	C	129.372	0.3	1
204	1	19	PHE	N	N	125.324	0.3	1
205	1	20	LEU	H	H	8.748	0.020	1
206	1	20	LEU	HA	H	3.781	0.020	1
207	1	20	LEU	HB2	H	2.095	0.020	2
208	1	20	LEU	HB3	H	1.556	0.020	2
209	1	20	LEU	HG	H	1.540	0.020	1
210	1	20	LEU	HD11	H	0.774	0.020	2
211	1	20	LEU	HD12	H	0.774	0.020	2
212	1	20	LEU	HD13	H	0.774	0.020	2
213	1	20	LEU	HD21	H	0.936	0.020	2
214	1	20	LEU	HD22	H	0.936	0.020	2
215	1	20	LEU	HD23	H	0.936	0.020	2
216	1	20	LEU	C	C	178.432	0.3	1
217	1	20	LEU	CA	C	58.397	0.3	1
218	1	20	LEU	CB	C	41.294	0.3	1
219	1	20	LEU	CG	C	27.114	0.3	1
220	1	20	LEU	CD1	C	23.013	0.3	1
221	1	20	LEU	CD2	C	26.888	0.3	1
222	1	20	LEU	N	N	119.554	0.3	1
223	1	21	GLN	H	H	7.902	0.020	1
224	1	21	GLN	HA	H	3.891	0.020	1
225	1	21	GLN	HB2	H	2.076	0.020	2
226	1	21	GLN	HB3	H	2.130	0.020	2
227	1	21	GLN	HG2	H	2.283	0.020	2
228	1	21	GLN	HG3	H	2.387	0.020	2
229	1	21	GLN	HE21	H	6.730	0.020	1
230	1	21	GLN	HE22	H	7.250	0.020	1
231	1	21	GLN	C	C	177.187	0.3	1
232	1	21	GLN	CA	C	59.098	0.3	1
233	1	21	GLN	CB	C	28.505	0.3	1
234	1	21	GLN	CG	C	34.069	0.3	1
235	1	21	GLN	N	N	119.039	0.3	1
236	1	21	GLN	NE2	N	111.649	0.3	1
237	1	22	CYS	H	H	7.735	0.020	1
238	1	22	CYS	HA	H	4.149	0.020	1
239	1	22	CYS	HB2	H	2.964	0.020	2
240	1	22	CYS	HB3	H	2.903	0.020	2
241	1	22	CYS	C	C	176.595	0.3	1
242	1	22	CYS	CA	C	60.562	0.3	1
243	1	22	CYS	CB	C	37.780	0.3	1
244	1	22	CYS	N	N	119.200	0.3	1
245	1	23	LEU	H	H	8.830	0.020	1
246	1	23	LEU	HA	H	3.590	0.020	1
247	1	23	LEU	HB2	H	1.504	0.020	2
248	1	23	LEU	HB3	H	0.957	0.020	2
249	1	23	LEU	HG	H	1.365	0.020	1
250	1	23	LEU	HD11	H	0.543	0.020	2
251	1	23	LEU	HD12	H	0.543	0.020	2
252	1	23	LEU	HD13	H	0.543	0.020	2
253	1	23	LEU	HD21	H	0.559	0.020	2
254	1	23	LEU	HD22	H	0.559	0.020	2
255	1	23	LEU	HD23	H	0.559	0.020	2
256	1	23	LEU	C	C	177.828	0.3	1
257	1	23	LEU	CA	C	58.407	0.3	1
258	1	23	LEU	CB	C	42.645	0.3	1
259	1	23	LEU	CG	C	26.613	0.3	1
260	1	23	LEU	CD1	C	24.656	0.3	1
261	1	23	LEU	CD2	C	25.887	0.3	1
262	1	23	LEU	N	N	124.136	0.3	1
263	1	24	THR	H	H	8.424	0.020	1
264	1	24	THR	HA	H	4.001	0.020	1
265	1	24	THR	HB	H	4.044	0.020	1
266	1	24	THR	HG21	H	1.148	0.020	1
267	1	24	THR	HG22	H	1.148	0.020	1
268	1	24	THR	HG23	H	1.148	0.020	1
269	1	24	THR	C	C	178.202	0.3	1
270	1	24	THR	CA	C	65.569	0.3	1
271	1	24	THR	CB	C	69.046	0.3	1
272	1	24	THR	CG2	C	21.038	0.3	1
273	1	24	THR	N	N	111.886	0.3	1
274	1	25	PHE	H	H	8.048	0.020	1
275	1	25	PHE	HA	H	4.245	0.020	1
276	1	25	PHE	HB2	H	3.244	0.020	2
277	1	25	PHE	HB3	H	3.096	0.020	2
278	1	25	PHE	HD1	H	7.265	0.020	1
279	1	25	PHE	HD2	H	7.265	0.020	1
280	1	25	PHE	HE1	H	7.299	0.020	1
281	1	25	PHE	HE2	H	7.299	0.020	1
282	1	25	PHE	HZ	H	7.246	0.020	1
283	1	25	PHE	CA	C	61.288	0.3	1
284	1	25	PHE	CB	C	39.202	0.3	1
285	1	25	PHE	CD1	C	131.914	0.3	1
286	1	25	PHE	CE1	C	131.903	0.3	1
287	1	25	PHE	CZ	C	129.885	0.3	1
288	1	25	PHE	N	N	124.797	0.3	1
289	1	26	GLY	H	H	8.526	0.020	1
290	1	26	GLY	HA2	H	3.748	0.020	2
291	1	26	GLY	HA3	H	3.678	0.020	2
292	1	26	GLY	C	C	176.716	0.3	1
293	1	26	GLY	CA	C	47.746	0.3	1
294	1	26	GLY	N	N	107.377	0.3	1
295	1	27	ILE	H	H	8.834	0.020	1
296	1	27	ILE	HA	H	3.568	0.020	1
297	1	27	ILE	HB	H	1.907	0.020	1
298	1	27	ILE	HG12	H	0.548	0.020	2
299	1	27	ILE	HG13	H	1.729	0.020	2
300	1	27	ILE	HG21	H	0.623	0.020	1
301	1	27	ILE	HG22	H	0.623	0.020	1
302	1	27	ILE	HG23	H	0.623	0.020	1
303	1	27	ILE	HD11	H	0.542	0.020	1
304	1	27	ILE	HD12	H	0.542	0.020	1
305	1	27	ILE	HD13	H	0.542	0.020	1
306	1	27	ILE	C	C	177.743	0.3	1
307	1	27	ILE	CA	C	66.325	0.3	1
308	1	27	ILE	CB	C	38.325	0.3	1
309	1	27	ILE	CG1	C	30.323	0.3	1
310	1	27	ILE	CG2	C	18.363	0.3	1
311	1	27	ILE	CD1	C	13.676	0.3	1
312	1	27	ILE	N	N	123.416	0.3	1
313	1	28	GLY	H	H	7.638	0.020	1
314	1	28	GLY	HA2	H	3.766	0.020	2
315	1	28	GLY	HA3	H	3.701	0.020	2
316	1	28	GLY	C	C	174.311	0.3	1
317	1	28	GLY	CA	C	46.627	0.3	1
318	1	28	GLY	N	N	103.901	0.3	1
319	1	29	ASN	H	H	7.195	0.020	1
320	1	29	ASN	HA	H	4.695	0.020	1
321	1	29	ASN	HB2	H	2.687	0.020	2
322	1	29	ASN	HB3	H	2.227	0.020	2
323	1	29	ASN	HD21	H	5.902	0.020	1
324	1	29	ASN	HD22	H	7.040	0.020	1
325	1	29	ASN	CA	C	52.989	0.3	1
326	1	29	ASN	CB	C	40.144	0.3	1
327	1	29	ASN	N	N	116.150	0.3	1
328	1	29	ASN	ND2	N	113.513	0.3	1
329	1	30	SER	H	H	7.330	0.020	1
330	1	30	SER	HA	H	4.906	0.020	1
331	1	30	SER	HB2	H	4.164	0.020	2
332	1	30	SER	HB3	H	4.044	0.020	2
333	1	30	SER	C	C	174.988	0.3	1
334	1	30	SER	CA	C	55.265	0.3	1
335	1	30	SER	CB	C	64.818	0.3	1
336	1	30	SER	N	N	115.980	0.3	1
337	1	31	PRO	HA	H	4.586	0.020	1
338	1	31	PRO	HB2	H	1.967	0.020	2
339	1	31	PRO	HB3	H	2.214	0.020	2
340	1	31	PRO	HG2	H	1.836	0.020	2
341	1	31	PRO	HG3	H	1.982	0.020	2
342	1	31	PRO	HD2	H	3.926	0.020	1
343	1	31	PRO	HD3	H	3.926	0.020	1
344	1	31	PRO	CA	C	63.248	0.3	1
345	1	31	PRO	CB	C	32.168	0.3	1
346	1	31	PRO	CG	C	26.868	0.3	1
347	1	31	PRO	CD	C	51.315	0.3	1
348	1	32	ALA	H	H	7.955	0.020	1
349	1	32	ALA	HA	H	3.911	0.020	1
350	1	32	ALA	HB1	H	0.640	0.020	1
351	1	32	ALA	HB2	H	0.640	0.020	1
352	1	32	ALA	HB3	H	0.640	0.020	1
353	1	32	ALA	C	C	176.232	0.3	1
354	1	32	ALA	CA	C	53.331	0.3	1
355	1	32	ALA	CB	C	19.050	0.3	1
356	1	32	ALA	N	N	120.361	0.3	1
357	1	33	PHE	H	H	6.759	0.020	1
358	1	33	PHE	HA	H	5.197	0.020	1
359	1	33	PHE	HB2	H	2.916	0.020	2
360	1	33	PHE	HB3	H	2.829	0.020	2
361	1	33	PHE	HD1	H	7.257	0.020	1
362	1	33	PHE	HD2	H	7.257	0.020	1
363	1	33	PHE	HE1	H	7.107	0.020	1
364	1	33	PHE	HE2	H	7.107	0.020	1
365	1	33	PHE	HZ	H	7.046	0.020	1
366	1	33	PHE	C	C	172.885	0.3	1
367	1	33	PHE	CA	C	52.997	0.3	1
368	1	33	PHE	CB	C	41.644	0.3	1
369	1	33	PHE	CD1	C	132.252	0.3	1
370	1	33	PHE	CE1	C	130.555	0.3	1
371	1	33	PHE	CZ	C	128.761	0.3	1
372	1	33	PHE	N	N	114.505	0.3	1
373	1	34	PRO	HA	H	4.647	0.020	1
374	1	34	PRO	HB2	H	2.102	0.020	2
375	1	34	PRO	HB3	H	2.526	0.020	2
376	1	34	PRO	HG2	H	2.130	0.020	1
377	1	34	PRO	HD2	H	4.211	0.020	2
378	1	34	PRO	HD3	H	3.900	0.020	2
379	1	34	PRO	CA	C	62.531	0.3	1
380	1	34	PRO	CB	C	33.139	0.3	1
381	1	34	PRO	CG	C	27.994	0.3	1
382	1	34	PRO	CD	C	51.128	0.3	1
383	1	35	THR	H	H	8.603	0.020	1
384	1	35	THR	HA	H	3.949	0.020	1
385	1	35	THR	HB	H	4.023	0.020	1
386	1	35	THR	HG21	H	1.254	0.020	1
387	1	35	THR	HG22	H	1.254	0.020	1
388	1	35	THR	HG23	H	1.254	0.020	1
389	1	35	THR	C	C	176.051	0.3	1
390	1	35	THR	CA	C	67.404	0.3	1
391	1	35	THR	CB	C	69.297	0.3	1
392	1	35	THR	CG2	C	22.138	0.3	1
393	1	35	THR	N	N	118.140	0.3	1
394	1	36	GLN	H	H	9.082	0.020	1
395	1	36	GLN	HA	H	3.916	0.020	1
396	1	36	GLN	HB2	H	2.166	0.020	2
397	1	36	GLN	HB3	H	1.962	0.020	2
398	1	36	GLN	HG2	H	2.414	0.020	2
399	1	36	GLN	HG3	H	2.354	0.020	2
400	1	36	GLN	HE21	H	6.797	0.020	1
401	1	36	GLN	HE22	H	7.390	0.020	1
402	1	36	GLN	C	C	176.921	0.3	1
403	1	36	GLN	CA	C	59.086	0.3	1
404	1	36	GLN	CB	C	28.921	0.3	1
405	1	36	GLN	CG	C	34.623	0.3	1
406	1	36	GLN	N	N	119.155	0.3	1
407	1	36	GLN	NE2	N	111.747	0.3	1
408	1	37	GLU	H	H	6.945	0.020	1
409	1	37	GLU	HA	H	4.204	0.020	1
410	1	37	GLU	HB2	H	2.195	0.020	2
411	1	37	GLU	HB3	H	2.148	0.020	2
412	1	37	GLU	HG2	H	2.370	0.020	2
413	1	37	GLU	HG3	H	2.448	0.020	2
414	1	37	GLU	CA	C	58.932	0.3	1
415	1	37	GLU	CB	C	29.337	0.3	1
416	1	37	GLU	CG	C	34.559	0.3	1
417	1	37	GLU	N	N	118.488	0.3	1
418	1	38	GLN	H	H	8.291	0.020	1
419	1	38	GLN	HA	H	3.489	0.020	1
420	1	38	GLN	HB2	H	2.539	0.020	2
421	1	38	GLN	HB3	H	1.780	0.020	2
422	1	38	GLN	HG2	H	2.524	0.020	2
423	1	38	GLN	HG3	H	2.202	0.020	2
424	1	38	GLN	HE21	H	6.523	0.020	1
425	1	38	GLN	HE22	H	7.500	0.020	1
426	1	38	GLN	C	C	177.489	0.3	1
427	1	38	GLN	CA	C	59.444	0.3	1
428	1	38	GLN	CB	C	28.375	0.3	1
429	1	38	GLN	CG	C	34.260	0.3	1
430	1	38	GLN	N	N	117.572	0.3	1
431	1	38	GLN	NE2	N	112.840	0.3	1
432	1	39	GLN	H	H	7.740	0.020	1
433	1	39	GLN	HA	H	3.914	0.020	1
434	1	39	GLN	HB2	H	2.199	0.020	2
435	1	39	GLN	HB3	H	2.040	0.020	2
436	1	39	GLN	HG2	H	2.428	0.020	2
437	1	39	GLN	HG3	H	2.344	0.020	2
438	1	39	GLN	HE21	H	7.782	0.020	1
439	1	39	GLN	HE22	H	6.994	0.020	1
440	1	39	GLN	CA	C	58.980	0.3	1
441	1	39	GLN	CB	C	28.308	0.3	1
442	1	39	GLN	CG	C	34.703	0.3	1
443	1	39	GLN	N	N	114.703	0.3	1
444	1	39	GLN	NE2	N	116.450	0.3	1
445	1	40	ASP	H	H	8.276	0.020	1
446	1	40	ASP	HA	H	4.293	0.020	1
447	1	40	ASP	HB2	H	2.509	0.020	2
448	1	40	ASP	HB3	H	2.880	0.020	2
449	1	40	ASP	C	C	176.994	0.3	1
450	1	40	ASP	CA	C	58.054	0.3	1
451	1	40	ASP	CB	C	40.519	0.3	1
452	1	40	ASP	N	N	122.133	0.3	1
453	1	41	LEU	H	H	8.611	0.020	1
454	1	41	LEU	HA	H	3.671	0.020	1
455	1	41	LEU	HB2	H	1.014	0.020	2
456	1	41	LEU	HB3	H	1.816	0.020	2
457	1	41	LEU	HG	H	1.642	0.020	1
458	1	41	LEU	HD11	H	0.133	0.020	2
459	1	41	LEU	HD12	H	0.133	0.020	2
460	1	41	LEU	HD13	H	0.133	0.020	2
461	1	41	LEU	HD21	H	0.759	0.020	2
462	1	41	LEU	HD22	H	0.759	0.020	2
463	1	41	LEU	HD23	H	0.759	0.020	2
464	1	41	LEU	CA	C	58.501	0.3	1
465	1	41	LEU	CB	C	42.819	0.3	1
466	1	41	LEU	CG	C	27.099	0.3	1
467	1	41	LEU	CD1	C	26.227	0.3	1
468	1	41	LEU	CD2	C	25.296	0.3	1
469	1	41	LEU	N	N	120.584	0.3	1
470	1	42	ASP	H	H	8.108	0.020	1
471	1	42	ASP	HA	H	4.023	0.020	1
472	1	42	ASP	HB2	H	2.883	0.020	2
473	1	42	ASP	HB3	H	2.667	0.020	2
474	1	42	ASP	CA	C	56.075	0.3	1
475	1	42	ASP	CB	C	37.605	0.3	1
476	1	42	ASP	N	N	115.802	0.3	1
477	1	43	ALA	H	H	8.178	0.020	1
478	1	43	ALA	HA	H	3.871	0.020	1
479	1	43	ALA	HB1	H	1.293	0.020	1
480	1	43	ALA	HB2	H	1.293	0.020	1
481	1	43	ALA	HB3	H	1.293	0.020	1
482	1	43	ALA	C	C	180.680	0.3	1
483	1	43	ALA	CA	C	55.631	0.3	1
484	1	43	ALA	CB	C	17.935	0.3	1
485	1	43	ALA	N	N	121.019	0.3	1
486	1	44	ILE	H	H	7.683	0.020	1
487	1	44	ILE	HA	H	3.828	0.020	1
488	1	44	ILE	HB	H	1.909	0.020	1
489	1	44	ILE	HG12	H	1.354	0.020	2
490	1	44	ILE	HG13	H	1.574	0.020	2
491	1	44	ILE	HG21	H	0.854	0.020	1
492	1	44	ILE	HG22	H	0.854	0.020	1
493	1	44	ILE	HG23	H	0.854	0.020	1
494	1	44	ILE	HD11	H	0.769	0.020	1
495	1	44	ILE	HD12	H	0.769	0.020	1
496	1	44	ILE	HD13	H	0.769	0.020	1
497	1	44	ILE	C	C	176.764	0.3	1
498	1	44	ILE	CA	C	62.631	0.3	1
499	1	44	ILE	CB	C	36.874	0.3	1
500	1	44	ILE	CG1	C	29.441	0.3	1
501	1	44	ILE	CG2	C	18.957	0.3	1
502	1	44	ILE	CD1	C	11.422	0.3	1
503	1	44	ILE	N	N	118.272	0.3	1
504	1	45	ALA	H	H	8.114	0.020	1
505	1	45	ALA	HA	H	4.071	0.020	1
506	1	45	ALA	HB1	H	1.506	0.020	1
507	1	45	ALA	HB2	H	1.506	0.020	1
508	1	45	ALA	HB3	H	1.506	0.020	1
509	1	45	ALA	C	C	179.085	0.3	1
510	1	45	ALA	CA	C	55.430	0.3	1
511	1	45	ALA	CB	C	18.466	0.3	1
512	1	45	ALA	N	N	121.509	0.3	1
513	1	46	GLN	H	H	8.202	0.020	1
514	1	46	GLN	HA	H	3.816	0.020	1
515	1	46	GLN	HB2	H	2.200	0.020	2
516	1	46	GLN	HB3	H	2.116	0.020	2
517	1	46	GLN	HG2	H	2.341	0.020	2
518	1	46	GLN	HG3	H	2.440	0.020	2
519	1	46	GLN	HE21	H	6.777	0.020	1
520	1	46	GLN	HE22	H	7.331	0.020	1
521	1	46	GLN	C	C	177.344	0.3	1
522	1	46	GLN	CA	C	59.652	0.3	1
523	1	46	GLN	CB	C	28.504	0.3	1
524	1	46	GLN	CG	C	34.422	0.3	1
525	1	46	GLN	N	N	115.238	0.3	1
526	1	46	GLN	NE2	N	110.662	0.3	1
527	1	47	VAL	H	H	7.410	0.020	1
528	1	47	VAL	HA	H	3.596	0.020	1
529	1	47	VAL	HB	H	2.243	0.020	1
530	1	47	VAL	HG11	H	1.178	0.020	2
531	1	47	VAL	HG12	H	1.178	0.020	2
532	1	47	VAL	HG13	H	1.178	0.020	2
533	1	47	VAL	HG21	H	0.855	0.020	2
534	1	47	VAL	HG22	H	0.855	0.020	2
535	1	47	VAL	HG23	H	0.855	0.020	2
536	1	47	VAL	C	C	177.562	0.3	1
537	1	47	VAL	CA	C	66.287	0.3	1
538	1	47	VAL	CB	C	32.283	0.3	1
539	1	47	VAL	CG1	C	23.043	0.3	1
540	1	47	VAL	CG2	C	21.706	0.3	1
541	1	47	VAL	N	N	117.089	0.3	1
542	1	48	ILE	H	H	7.194	0.020	1
543	1	48	ILE	HA	H	3.671	0.020	1
544	1	48	ILE	HB	H	1.879	0.020	1
545	1	48	ILE	HG12	H	1.403	0.020	2
546	1	48	ILE	HG13	H	1.332	0.020	2
547	1	48	ILE	HG21	H	1.053	0.020	1
548	1	48	ILE	HG22	H	1.053	0.020	1
549	1	48	ILE	HG23	H	1.053	0.020	1
550	1	48	ILE	HD11	H	0.642	0.020	1
551	1	48	ILE	HD12	H	0.642	0.020	1
552	1	48	ILE	HD13	H	0.642	0.020	1
553	1	48	ILE	C	C	177.429	0.3	1
554	1	48	ILE	CA	C	63.747	0.3	1
555	1	48	ILE	CB	C	37.618	0.3	1
556	1	48	ILE	CG1	C	28.762	0.3	1
557	1	48	ILE	CG2	C	19.516	0.3	1
558	1	48	ILE	CD1	C	11.509	0.3	1
559	1	48	ILE	N	N	114.963	0.3	1
560	1	49	LEU	H	H	8.669	0.020	1
561	1	49	LEU	HA	H	4.236	0.020	1
562	1	49	LEU	HB2	H	1.969	0.020	2
563	1	49	LEU	HB3	H	1.432	0.020	2
564	1	49	LEU	HG	H	1.793	0.020	1
565	1	49	LEU	HD11	H	0.998	0.020	2
566	1	49	LEU	HD12	H	0.998	0.020	2
567	1	49	LEU	HD13	H	0.998	0.020	2
568	1	49	LEU	HD21	H	0.801	0.020	2
569	1	49	LEU	HD22	H	0.801	0.020	2
570	1	49	LEU	HD23	H	0.801	0.020	2
571	1	49	LEU	C	C	180.015	0.3	1
572	1	49	LEU	CA	C	58.310	0.3	1
573	1	49	LEU	CB	C	40.526	0.3	1
574	1	49	LEU	CG	C	29.810	0.3	1
575	1	49	LEU	CD1	C	26.973	0.3	1
576	1	49	LEU	CD2	C	24.129	0.3	1
577	1	49	LEU	N	N	117.014	0.3	1
578	1	50	ASN	H	H	8.458	0.020	1
579	1	50	ASN	HA	H	4.614	0.020	1
580	1	50	ASN	HB2	H	3.026	0.020	2
581	1	50	ASN	HB3	H	2.758	0.020	2
582	1	50	ASN	HD21	H	6.761	0.020	1
583	1	50	ASN	HD22	H	7.477	0.020	1
584	1	50	ASN	C	C	176.075	0.3	1
585	1	50	ASN	CA	C	55.238	0.3	1
586	1	50	ASN	CB	C	38.013	0.3	1
587	1	50	ASN	N	N	116.870	0.3	1
588	1	50	ASN	ND2	N	109.631	0.3	1
589	1	51	ALA	H	H	7.310	0.020	1
590	1	51	ALA	HA	H	4.354	0.020	1
591	1	51	ALA	HB1	H	1.654	0.020	1
592	1	51	ALA	HB2	H	1.654	0.020	1
593	1	51	ALA	HB3	H	1.654	0.020	1
594	1	51	ALA	C	C	177.973	0.3	1
595	1	51	ALA	CA	C	52.847	0.3	1
596	1	51	ALA	CB	C	20.259	0.3	1
597	1	51	ALA	N	N	120.178	0.3	1
598	1	52	VAL	H	H	7.119	0.020	1
599	1	52	VAL	HA	H	3.503	0.020	1
600	1	52	VAL	HB	H	2.023	0.020	1
601	1	52	VAL	HG11	H	1.273	0.020	2
602	1	52	VAL	HG12	H	1.273	0.020	2
603	1	52	VAL	HG13	H	1.273	0.020	2
604	1	52	VAL	HG21	H	0.628	0.020	2
605	1	52	VAL	HG22	H	0.628	0.020	2
606	1	52	VAL	HG23	H	0.628	0.020	2
607	1	52	VAL	C	C	175.652	0.3	1
608	1	52	VAL	CA	C	65.364	0.3	1
609	1	52	VAL	CB	C	31.740	0.3	1
610	1	52	VAL	CG1	C	22.938	0.3	1
611	1	52	VAL	CG2	C	20.795	0.3	1
612	1	52	VAL	N	N	120.205	0.3	1
613	1	53	SER	H	H	8.116	0.020	1
614	1	53	SER	HA	H	4.548	0.020	1
615	1	53	SER	HB2	H	3.882	0.020	2
616	1	53	SER	HB3	H	3.800	0.020	2
617	1	53	SER	C	C	173.405	0.3	1
618	1	53	SER	CA	C	58.325	0.3	1
619	1	53	SER	CB	C	65.462	0.3	1
620	1	53	SER	N	N	119.897	0.3	1
621	1	54	THR	H	H	8.108	0.020	1
622	1	54	THR	HA	H	4.372	0.020	1
623	1	54	THR	HB	H	4.261	0.020	1
624	1	54	THR	HG21	H	1.233	0.020	1
625	1	54	THR	HG22	H	1.233	0.020	1
626	1	54	THR	HG23	H	1.233	0.020	1
627	1	54	THR	C	C	174.166	0.3	1
628	1	54	THR	CA	C	62.709	0.3	1
629	1	54	THR	CB	C	69.438	0.3	1
630	1	54	THR	CG2	C	22.231	0.3	1
631	1	54	THR	N	N	113.810	0.3	1
632	1	55	ASN	H	H	8.459	0.020	1
633	1	55	ASN	HA	H	4.914	0.020	1
634	1	55	ASN	HB2	H	2.904	0.020	2
635	1	55	ASN	HB3	H	2.708	0.020	2
636	1	55	ASN	HD21	H	6.929	0.020	1
637	1	55	ASN	HD22	H	7.699	0.020	1
638	1	55	ASN	C	C	174.480	0.3	1
639	1	55	ASN	CA	C	53.359	0.3	1
640	1	55	ASN	CB	C	39.822	0.3	1
641	1	55	ASN	N	N	124.129	0.3	1
642	1	55	ASN	ND2	N	111.926	0.3	1
643	1	56	THR	H	H	8.251	0.020	1
644	1	56	THR	HA	H	4.491	0.020	1
645	1	56	THR	HB	H	4.413	0.020	1
646	1	56	THR	HG21	H	1.139	0.020	1
647	1	56	THR	HG22	H	1.139	0.020	1
648	1	56	THR	HG23	H	1.139	0.020	1
649	1	56	THR	C	C	174.758	0.3	1
650	1	56	THR	CA	C	61.221	0.3	1
651	1	56	THR	CB	C	70.158	0.3	1
652	1	56	THR	CG2	C	21.602	0.3	1
653	1	56	THR	N	N	113.106	0.3	1
654	1	57	GLY	H	H	8.427	0.020	1
655	1	57	GLY	HA2	H	4.133	0.020	1
656	1	57	GLY	HA3	H	4.133	0.020	1
657	1	57	GLY	C	C	174.879	0.3	1
658	1	57	GLY	CA	C	44.915	0.3	1
659	1	57	GLY	N	N	110.279	0.3	1
660	1	58	ALA	H	H	8.704	0.020	1
661	1	58	ALA	HA	H	4.227	0.020	1
662	1	58	ALA	HB1	H	1.486	0.020	1
663	1	58	ALA	HB2	H	1.486	0.020	1
664	1	58	ALA	HB3	H	1.486	0.020	1
665	1	58	ALA	C	C	179.363	0.3	1
666	1	58	ALA	CA	C	54.953	0.3	1
667	1	58	ALA	CB	C	19.492	0.3	1
668	1	58	ALA	N	N	122.249	0.3	1
669	1	59	THR	H	H	8.144	0.020	1
670	1	59	THR	HA	H	4.690	0.020	1
671	1	59	THR	HB	H	4.631	0.020	1
672	1	59	THR	HG21	H	1.067	0.020	1
673	1	59	THR	HG22	H	1.067	0.020	1
674	1	59	THR	HG23	H	1.067	0.020	1
675	1	59	THR	C	C	174.492	0.3	1
676	1	59	THR	CA	C	60.931	0.3	1
677	1	59	THR	CB	C	68.156	0.3	1
678	1	59	THR	CG2	C	22.601	0.3	1
679	1	59	THR	N	N	107.671	0.3	1
680	1	60	ALA	H	H	7.604	0.020	1
681	1	60	ALA	HA	H	4.045	0.020	1
682	1	60	ALA	HB1	H	1.436	0.020	1
683	1	60	ALA	HB2	H	1.436	0.020	1
684	1	60	ALA	HB3	H	1.436	0.020	1
685	1	60	ALA	C	C	180.112	0.3	1
686	1	60	ALA	CA	C	55.501	0.3	1
687	1	60	ALA	CB	C	19.116	0.3	1
688	1	60	ALA	N	N	125.206	0.3	1
689	1	61	SER	H	H	8.736	0.020	1
690	1	61	SER	HA	H	4.232	0.020	1
691	1	61	SER	HB2	H	3.971	0.020	2
692	1	61	SER	HB3	H	3.930	0.020	2
693	1	61	SER	C	C	176.232	0.3	1
694	1	61	SER	CA	C	61.566	0.3	1
695	1	61	SER	CB	C	62.843	0.3	1
696	1	61	SER	N	N	113.561	0.3	1
697	1	62	ALA	H	H	7.819	0.020	1
698	1	62	ALA	HA	H	4.087	0.020	1
699	1	62	ALA	HB1	H	1.454	0.020	1
700	1	62	ALA	HB2	H	1.454	0.020	1
701	1	62	ALA	HB3	H	1.454	0.020	1
702	1	62	ALA	C	C	179.532	0.3	1
703	1	62	ALA	CA	C	55.400	0.3	1
704	1	62	ALA	CB	C	19.046	0.3	1
705	1	62	ALA	N	N	126.650	0.3	1
706	1	63	ARG	H	H	7.999	0.020	1
707	1	63	ARG	HA	H	3.754	0.020	1
708	1	63	ARG	HB2	H	1.897	0.020	2
709	1	63	ARG	HB3	H	1.803	0.020	2
710	1	63	ARG	HG2	H	1.686	0.020	2
711	1	63	ARG	HG3	H	1.358	0.020	2
712	1	63	ARG	HD2	H	3.093	0.020	2
713	1	63	ARG	HD3	H	3.043	0.020	2
714	1	63	ARG	HE	H	7.180	0.020	1
715	1	63	ARG	C	C	177.441	0.3	1
716	1	63	ARG	CA	C	60.587	0.3	1
717	1	63	ARG	CB	C	30.613	0.3	1
718	1	63	ARG	CG	C	28.591	0.3	1
719	1	63	ARG	CD	C	44.195	0.3	1
720	1	63	ARG	N	N	116.859	0.3	1
721	1	63	ARG	NE	N	82.980	0.3	1
722	1	64	ALA	H	H	7.933	0.020	1
723	1	64	ALA	HA	H	4.056	0.020	1
724	1	64	ALA	HB1	H	1.382	0.020	1
725	1	64	ALA	HB2	H	1.382	0.020	1
726	1	64	ALA	HB3	H	1.382	0.020	1
727	1	64	ALA	C	C	178.952	0.3	1
728	1	64	ALA	CA	C	55.501	0.3	1
729	1	64	ALA	CB	C	19.423	0.3	1
730	1	64	ALA	N	N	120.160	0.3	1
731	1	65	GLN	H	H	7.910	0.020	1
732	1	65	GLN	HA	H	3.835	0.020	1
733	1	65	GLN	HB2	H	2.157	0.020	2
734	1	65	GLN	HB3	H	2.069	0.020	2
735	1	65	GLN	HG2	H	2.325	0.020	2
736	1	65	GLN	HG3	H	2.495	0.020	2
737	1	65	GLN	HE21	H	6.712	0.020	1
738	1	65	GLN	HE22	H	7.862	0.020	1
739	1	65	GLN	CA	C	58.846	0.3	1
740	1	65	GLN	CB	C	28.854	0.3	1
741	1	65	GLN	CG	C	34.081	0.3	1
742	1	65	GLN	N	N	117.950	0.3	1
743	1	65	GLN	NE2	N	113.812	0.3	1
744	1	66	ALA	H	H	8.101	0.020	1
745	1	66	ALA	HA	H	4.121	0.020	1
746	1	66	ALA	HB1	H	1.522	0.020	1
747	1	66	ALA	HB2	H	1.522	0.020	1
748	1	66	ALA	HB3	H	1.522	0.020	1
749	1	66	ALA	CA	C	55.760	0.3	1
750	1	66	ALA	CB	C	18.785	0.3	1
751	1	66	ALA	N	N	122.833	0.3	1
752	1	67	LEU	H	H	8.108	0.020	1
753	1	67	LEU	HA	H	3.982	0.020	1
754	1	67	LEU	HB2	H	1.306	0.020	2
755	1	67	LEU	HB3	H	2.085	0.020	2
756	1	67	LEU	HG	H	1.917	0.020	1
757	1	67	LEU	HD11	H	0.981	0.020	2
758	1	67	LEU	HD12	H	0.981	0.020	2
759	1	67	LEU	HD13	H	0.981	0.020	2
760	1	67	LEU	HD21	H	0.884	0.020	2
761	1	67	LEU	HD22	H	0.884	0.020	2
762	1	67	LEU	HD23	H	0.884	0.020	2
763	1	67	LEU	CA	C	58.348	0.3	1
764	1	67	LEU	CB	C	41.930	0.3	1
765	1	67	LEU	CG	C	27.598	0.3	1
766	1	67	LEU	CD1	C	26.356	0.3	1
767	1	67	LEU	CD2	C	22.361	0.3	1
768	1	67	LEU	N	N	118.562	0.3	1
769	1	68	SER	H	H	7.721	0.020	1
770	1	68	SER	HA	H	2.899	0.020	1
771	1	68	SER	HB2	H	2.903	0.020	2
772	1	68	SER	HB3	H	3.636	0.020	2
773	1	68	SER	CA	C	61.325	0.3	1
774	1	68	SER	CB	C	62.733	0.3	1
775	1	68	SER	N	N	115.720	0.3	1
776	1	69	THR	H	H	8.342	0.020	1
777	1	69	THR	HA	H	3.524	0.020	1
778	1	69	THR	HB	H	4.121	0.020	1
779	1	69	THR	HG21	H	0.945	0.020	1
780	1	69	THR	HG22	H	0.945	0.020	1
781	1	69	THR	HG23	H	0.945	0.020	1
782	1	69	THR	CA	C	66.973	0.3	1
783	1	69	THR	CB	C	67.792	0.3	1
784	1	69	THR	CG2	C	23.551	0.3	1
785	1	69	THR	N	N	118.719	0.3	1
786	1	70	ALA	H	H	8.669	0.020	1
787	1	70	ALA	HA	H	4.051	0.020	1
788	1	70	ALA	HB1	H	1.580	0.020	1
789	1	70	ALA	HB2	H	1.580	0.020	1
790	1	70	ALA	HB3	H	1.580	0.020	1
791	1	70	ALA	C	C	179.725	0.3	1
792	1	70	ALA	CA	C	55.548	0.3	1
793	1	70	ALA	CB	C	18.163	0.3	1
794	1	70	ALA	N	N	126.306	0.3	1
795	1	71	LEU	H	H	8.552	0.020	1
796	1	71	LEU	HA	H	4.064	0.020	1
797	1	71	LEU	HB2	H	1.706	0.020	2
798	1	71	LEU	HB3	H	2.456	0.020	2
799	1	71	LEU	HG	H	1.884	0.020	1
800	1	71	LEU	HD11	H	1.057	0.020	2
801	1	71	LEU	HD12	H	1.057	0.020	2
802	1	71	LEU	HD13	H	1.057	0.020	2
803	1	71	LEU	HD21	H	1.246	0.020	2
804	1	71	LEU	HD22	H	1.246	0.020	2
805	1	71	LEU	HD23	H	1.246	0.020	2
806	1	71	LEU	C	C	176.752	0.3	1
807	1	71	LEU	CA	C	58.487	0.3	1
808	1	71	LEU	CB	C	41.613	0.3	1
809	1	71	LEU	CG	C	27.493	0.3	1
810	1	71	LEU	CD1	C	24.430	0.3	1
811	1	71	LEU	CD2	C	26.494	0.3	1
812	1	71	LEU	N	N	120.139	0.3	1
813	1	72	ALA	H	H	8.589	0.020	1
814	1	72	ALA	HA	H	3.647	0.020	1
815	1	72	ALA	HB1	H	0.776	0.020	1
816	1	72	ALA	HB2	H	0.776	0.020	1
817	1	72	ALA	HB3	H	0.776	0.020	1
818	1	72	ALA	C	C	179.507	0.3	1
819	1	72	ALA	CA	C	55.933	0.3	1
820	1	72	ALA	CB	C	18.154	0.3	1
821	1	72	ALA	N	N	119.192	0.3	1
822	1	73	SER	H	H	8.522	0.020	1
823	1	73	SER	HA	H	3.847	0.020	1
824	1	73	SER	HB2	H	3.558	0.020	2
825	1	73	SER	HB3	H	3.621	0.020	2
826	1	73	SER	CA	C	61.898	0.3	1
827	1	73	SER	CB	C	63.047	0.3	1
828	1	73	SER	N	N	111.696	0.3	1
829	1	74	SER	H	H	8.008	0.020	1
830	1	74	SER	HA	H	3.983	0.020	1
831	1	74	SER	HB2	H	3.932	0.020	1
832	1	74	SER	HB3	H	3.932	0.020	1
833	1	74	SER	CA	C	62.837	0.3	1
834	1	74	SER	CB	C	62.990	0.3	1
835	1	74	SER	N	N	119.511	0.3	1
836	1	75	LEU	H	H	8.052	0.020	1
837	1	75	LEU	HA	H	3.966	0.020	1
838	1	75	LEU	HB2	H	1.264	0.020	2
839	1	75	LEU	HB3	H	1.874	0.020	2
840	1	75	LEU	HG	H	2.245	0.020	1
841	1	75	LEU	HD11	H	0.901	0.020	2
842	1	75	LEU	HD12	H	0.901	0.020	2
843	1	75	LEU	HD13	H	0.901	0.020	2
844	1	75	LEU	HD21	H	0.823	0.020	2
845	1	75	LEU	HD22	H	0.823	0.020	2
846	1	75	LEU	HD23	H	0.823	0.020	2
847	1	75	LEU	C	C	177.852	0.3	1
848	1	75	LEU	CA	C	58.408	0.3	1
849	1	75	LEU	CB	C	42.059	0.3	1
850	1	75	LEU	CG	C	26.608	0.3	1
851	1	75	LEU	CD1	C	26.678	0.3	1
852	1	75	LEU	CD2	C	22.807	0.3	1
853	1	75	LEU	N	N	119.910	0.3	1
854	1	76	THR	H	H	6.987	0.020	1
855	1	76	THR	HA	H	3.487	0.020	1
856	1	76	THR	HB	H	3.903	0.020	1
857	1	76	THR	HG21	H	1.031	0.020	1
858	1	76	THR	HG22	H	1.031	0.020	1
859	1	76	THR	HG23	H	1.031	0.020	1
860	1	76	THR	C	C	176.148	0.3	1
861	1	76	THR	CA	C	68.123	0.3	1
862	1	76	THR	CB	C	68.094	0.3	1
863	1	76	THR	CG2	C	22.836	0.3	1
864	1	76	THR	N	N	112.113	0.3	1
865	1	77	ASP	H	H	8.008	0.020	1
866	1	77	ASP	HA	H	4.292	0.020	1
867	1	77	ASP	HB2	H	2.769	0.020	2
868	1	77	ASP	HB3	H	2.533	0.020	2
869	1	77	ASP	C	C	178.347	0.3	1
870	1	77	ASP	CA	C	57.727	0.3	1
871	1	77	ASP	CB	C	42.169	0.3	1
872	1	77	ASP	N	N	119.341	0.3	1
873	1	78	LEU	H	H	7.887	0.020	1
874	1	78	LEU	HA	H	3.973	0.020	1
875	1	78	LEU	HB2	H	1.874	0.020	2
876	1	78	LEU	HB3	H	1.499	0.020	2
877	1	78	LEU	HG	H	1.710	0.020	1
878	1	78	LEU	HD11	H	0.775	0.020	2
879	1	78	LEU	HD12	H	0.775	0.020	2
880	1	78	LEU	HD13	H	0.775	0.020	2
881	1	78	LEU	HD21	H	0.775	0.020	2
882	1	78	LEU	HD22	H	0.775	0.020	2
883	1	78	LEU	HD23	H	0.775	0.020	2
884	1	78	LEU	C	C	178.287	0.3	1
885	1	78	LEU	CA	C	58.331	0.3	1
886	1	78	LEU	CB	C	42.521	0.3	1
887	1	78	LEU	CG	C	27.391	0.3	1
888	1	78	LEU	CD1	C	25.062	0.3	1
889	1	78	LEU	CD2	C	25.062	0.3	1
890	1	78	LEU	N	N	117.557	0.3	1
891	1	79	LEU	H	H	7.639	0.020	1
892	1	79	LEU	HA	H	3.963	0.020	1
893	1	79	LEU	HB2	H	1.930	0.020	2
894	1	79	LEU	HB3	H	1.554	0.020	2
895	1	79	LEU	HG	H	2.029	0.020	1
896	1	79	LEU	HD11	H	0.886	0.020	2
897	1	79	LEU	HD12	H	0.886	0.020	2
898	1	79	LEU	HD13	H	0.886	0.020	2
899	1	79	LEU	HD21	H	0.915	0.020	2
900	1	79	LEU	HD22	H	0.915	0.020	2
901	1	79	LEU	HD23	H	0.915	0.020	2
902	1	79	LEU	CA	C	58.192	0.3	1
903	1	79	LEU	CB	C	42.572	0.3	1
904	1	79	LEU	CG	C	27.265	0.3	1
905	1	79	LEU	CD1	C	24.992	0.3	1
906	1	79	LEU	CD2	C	26.946	0.3	1
907	1	79	LEU	N	N	117.562	0.3	1
908	1	80	ILE	H	H	7.829	0.020	1
909	1	80	ILE	HA	H	3.289	0.020	1
910	1	80	ILE	HB	H	1.808	0.020	1
911	1	80	ILE	HG12	H	1.469	0.020	2
912	1	80	ILE	HG13	H	0.306	0.020	2
913	1	80	ILE	HG21	H	0.694	0.020	1
914	1	80	ILE	HG22	H	0.694	0.020	1
915	1	80	ILE	HG23	H	0.694	0.020	1
916	1	80	ILE	HD11	H	0.550	0.020	1
917	1	80	ILE	HD12	H	0.550	0.020	1
918	1	80	ILE	HD13	H	0.550	0.020	1
919	1	80	ILE	CA	C	65.482	0.3	1
920	1	80	ILE	CB	C	38.286	0.3	1
921	1	80	ILE	CG1	C	28.515	0.3	1
922	1	80	ILE	CG2	C	17.282	0.3	1
923	1	80	ILE	CD1	C	15.141	0.3	1
924	1	80	ILE	N	N	119.007	0.3	1
925	1	81	ALA	H	H	8.714	0.020	1
926	1	81	ALA	HA	H	4.112	0.020	1
927	1	81	ALA	HB1	H	1.453	0.020	1
928	1	81	ALA	HB2	H	1.453	0.020	1
929	1	81	ALA	HB3	H	1.453	0.020	1
930	1	81	ALA	C	C	180.184	0.3	1
931	1	81	ALA	CA	C	55.189	0.3	1
932	1	81	ALA	CB	C	18.863	0.3	1
933	1	81	ALA	N	N	122.249	0.3	1
934	1	82	GLU	H	H	8.195	0.020	1
935	1	82	GLU	HA	H	4.432	0.020	1
936	1	82	GLU	HB2	H	2.312	0.020	1
937	1	82	GLU	HB3	H	2.312	0.020	2
938	1	82	GLU	HG2	H	2.690	0.020	2
939	1	82	GLU	HG3	H	2.140	0.020	2
940	1	82	GLU	CA	C	57.115	0.3	1
941	1	82	GLU	CB	C	27.620	0.3	1
942	1	82	GLU	CG	C	34.430	0.3	1
943	1	82	GLU	N	N	113.310	0.3	1
944	1	83	SER	H	H	7.506	0.020	1
945	1	83	SER	HA	H	4.509	0.020	1
946	1	83	SER	HB2	H	4.210	0.020	2
947	1	83	SER	HB3	H	4.092	0.020	2
948	1	83	SER	C	C	174.456	0.3	1
949	1	83	SER	CA	C	59.528	0.3	1
950	1	83	SER	CB	C	64.794	0.3	1
951	1	83	SER	N	N	115.244	0.3	1
952	1	84	ALA	H	H	8.635	0.020	1
953	1	84	ALA	HA	H	4.442	0.020	1
954	1	84	ALA	HB1	H	1.474	0.020	1
955	1	84	ALA	HB2	H	1.474	0.020	1
956	1	84	ALA	HB3	H	1.474	0.020	1
957	1	84	ALA	C	C	177.948	0.3	1
958	1	84	ALA	CA	C	52.983	0.3	1
959	1	84	ALA	CB	C	19.348	0.3	1
960	1	84	ALA	N	N	126.469	0.3	1
961	1	85	GLU	H	H	8.632	0.020	1
962	1	85	GLU	HA	H	4.105	0.020	1
963	1	85	GLU	HB2	H	2.173	0.020	2
964	1	85	GLU	HB3	H	2.027	0.020	2
965	1	85	GLU	HG2	H	2.292	0.020	1
966	1	85	GLU	HG3	H	2.292	0.020	1
967	1	85	GLU	C	C	176.595	0.3	1
968	1	85	GLU	CA	C	57.414	0.3	1
969	1	85	GLU	CB	C	29.349	0.3	1
970	1	85	GLU	CG	C	36.118	0.3	1
971	1	85	GLU	N	N	118.716	0.3	1
972	1	86	SER	H	H	8.289	0.020	1
973	1	86	SER	HA	H	4.323	0.020	1
974	1	86	SER	HB2	H	3.923	0.020	1
975	1	86	SER	HB3	H	3.923	0.020	1
976	1	86	SER	C	C	173.912	0.3	1
977	1	86	SER	CA	C	59.381	0.3	1
978	1	86	SER	CB	C	63.445	0.3	1
979	1	86	SER	N	N	112.879	0.3	1
980	1	87	ASN	H	H	7.991	0.020	1
981	1	87	ASN	HA	H	4.830	0.020	1
982	1	87	ASN	HB2	H	2.787	0.020	2
983	1	87	ASN	HB3	H	2.932	0.020	2
984	1	87	ASN	HD21	H	6.948	0.020	1
985	1	87	ASN	HD22	H	7.579	0.020	1
986	1	87	ASN	C	C	175.483	0.3	1
987	1	87	ASN	CA	C	53.129	0.3	1
988	1	87	ASN	CB	C	39.168	0.3	1
989	1	87	ASN	N	N	118.391	0.3	1
990	1	87	ASN	ND2	N	112.185	0.3	1
991	1	88	TYR	H	H	7.642	0.020	1
992	1	88	TYR	HA	H	4.796	0.020	1
993	1	88	TYR	HB2	H	3.252	0.020	2
994	1	88	TYR	HB3	H	2.907	0.020	2
995	1	88	TYR	HD1	H	7.005	0.020	1
996	1	88	TYR	HD2	H	7.005	0.020	1
997	1	88	TYR	HE1	H	6.779	0.020	1
998	1	88	TYR	HE2	H	6.779	0.020	1
999	1	88	TYR	C	C	176.595	0.3	1
1000	1	88	TYR	CA	C	58.511	0.3	1
1001	1	88	TYR	CB	C	38.204	0.3	1
1002	1	88	TYR	CD1	C	133.163	0.3	1
1003	1	88	TYR	CE1	C	118.431	0.3	1
1004	1	88	TYR	N	N	120.348	0.3	1
1005	1	89	ASN	H	H	8.230	0.020	1
1006	1	89	ASN	HA	H	4.275	0.020	1
1007	1	89	ASN	HB2	H	2.707	0.020	1
1008	1	89	ASN	HB3	H	2.707	0.020	1
1009	1	89	ASN	HD21	H	6.862	0.020	1
1010	1	89	ASN	HD22	H	7.560	0.020	1
1011	1	89	ASN	C	C	177.525	0.3	1
1012	1	89	ASN	CA	C	57.635	0.3	1
1013	1	89	ASN	CB	C	38.301	0.3	1
1014	1	89	ASN	N	N	120.678	0.3	1
1015	1	89	ASN	ND2	N	112.621	0.3	1
1016	1	90	ASN	H	H	8.498	0.020	1
1017	1	90	ASN	HA	H	4.480	0.020	1
1018	1	90	ASN	HB2	H	2.795	0.020	2
1019	1	90	ASN	HB3	H	2.733	0.020	2
1020	1	90	ASN	HD21	H	7.686	0.020	1
1021	1	90	ASN	HD22	H	7.013	0.020	1
1022	1	90	ASN	C	C	177.453	0.3	1
1023	1	90	ASN	CA	C	56.439	0.3	1
1024	1	90	ASN	CB	C	38.094	0.3	1
1025	1	90	ASN	N	N	119.015	0.3	1
1026	1	90	ASN	ND2	N	112.705	0.3	1
1027	1	91	GLN	H	H	8.074	0.020	1
1028	1	91	GLN	HA	H	3.613	0.020	1
1029	1	91	GLN	HB2	H	2.350	0.020	2
1030	1	91	GLN	HB3	H	1.979	0.020	2
1031	1	91	GLN	HG2	H	1.999	0.020	2
1032	1	91	GLN	HG3	H	2.553	0.020	2
1033	1	91	GLN	HE21	H	7.211	0.020	1
1034	1	91	GLN	HE22	H	7.636	0.020	1
1035	1	91	GLN	C	C	177.719	0.3	1
1036	1	91	GLN	CA	C	60.504	0.3	1
1037	1	91	GLN	CB	C	29.117	0.3	1
1038	1	91	GLN	CG	C	35.348	0.3	1
1039	1	91	GLN	N	N	119.414	0.3	1
1040	1	91	GLN	NE2	N	111.529	0.3	1
1041	1	92	LEU	H	H	8.701	0.020	1
1042	1	92	LEU	HA	H	4.080	0.020	1
1043	1	92	LEU	HB2	H	1.920	0.020	2
1044	1	92	LEU	HB3	H	1.620	0.020	2
1045	1	92	LEU	HG	H	1.707	0.020	1
1046	1	92	LEU	HD11	H	0.913	0.020	2
1047	1	92	LEU	HD12	H	0.913	0.020	2
1048	1	92	LEU	HD13	H	0.913	0.020	2
1049	1	92	LEU	HD21	H	0.976	0.020	2
1050	1	92	LEU	HD22	H	0.976	0.020	2
1051	1	92	LEU	HD23	H	0.976	0.020	2
1052	1	92	LEU	C	C	179.205	0.3	1
1053	1	92	LEU	CA	C	58.511	0.3	1
1054	1	92	LEU	CB	C	42.216	0.3	1
1055	1	92	LEU	CG	C	27.465	0.3	1
1056	1	92	LEU	CD1	C	24.573	0.3	1
1057	1	92	LEU	CD2	C	26.048	0.3	1
1058	1	92	LEU	N	N	120.578	0.3	1
1059	1	93	SER	H	H	8.218	0.020	1
1060	1	93	SER	HA	H	4.290	0.020	1
1061	1	93	SER	HB2	H	3.994	0.020	1
1062	1	93	SER	HB3	H	3.994	0.020	1
1063	1	93	SER	CA	C	57.791	0.3	1
1064	1	93	SER	CB	C	62.861	0.3	1
1065	1	93	SER	N	N	115.966	0.3	1
1066	1	94	GLU	H	H	7.969	0.020	1
1067	1	94	GLU	HA	H	4.284	0.020	1
1068	1	94	GLU	HB2	H	1.980	0.020	1
1069	1	94	GLU	HB3	H	1.980	0.020	1
1070	1	94	GLU	HG2	H	2.057	0.020	2
1071	1	94	GLU	HG3	H	2.196	0.020	2
1072	1	94	GLU	C	C	179.314	0.3	1
1073	1	94	GLU	CA	C	59.270	0.3	1
1074	1	94	GLU	CB	C	29.040	0.3	1
1075	1	94	GLU	CG	C	35.086	0.3	1
1076	1	94	GLU	N	N	122.657	0.3	1
1077	1	95	LEU	H	H	8.902	0.020	1
1078	1	95	LEU	HA	H	4.197	0.020	1
1079	1	95	LEU	HB2	H	2.200	0.020	2
1080	1	95	LEU	HB3	H	1.794	0.020	2
1081	1	95	LEU	HG	H	1.709	0.020	1
1082	1	95	LEU	HD11	H	0.820	0.020	2
1083	1	95	LEU	HD12	H	0.820	0.020	2
1084	1	95	LEU	HD13	H	0.820	0.020	2
1085	1	95	LEU	HD21	H	0.914	0.020	2
1086	1	95	LEU	HD22	H	0.914	0.020	2
1087	1	95	LEU	HD23	H	0.914	0.020	2
1088	1	95	LEU	C	C	178.529	0.3	1
1089	1	95	LEU	CA	C	58.770	0.3	1
1090	1	95	LEU	CB	C	42.577	0.3	1
1091	1	95	LEU	CG	C	27.357	0.3	1
1092	1	95	LEU	CD1	C	22.931	0.3	1
1093	1	95	LEU	CD2	C	26.924	0.3	1
1094	1	95	LEU	N	N	119.668	0.3	1
1095	1	96	THR	H	H	8.901	0.020	1
1096	1	96	THR	HA	H	4.001	0.020	1
1097	1	96	THR	HB	H	4.453	0.020	1
1098	1	96	THR	HG21	H	1.390	0.020	1
1099	1	96	THR	HG22	H	1.390	0.020	1
1100	1	96	THR	HG23	H	1.390	0.020	1
1101	1	96	THR	CA	C	67.623	0.3	1
1102	1	96	THR	CB	C	68.461	0.3	1
1103	1	96	THR	CG2	C	22.525	0.3	1
1104	1	96	THR	N	N	111.596	0.3	1
1105	1	97	GLY	H	H	8.013	0.020	1
1106	1	97	GLY	HA2	H	4.062	0.020	2
1107	1	97	GLY	HA3	H	3.986	0.020	2
1108	1	97	GLY	C	C	176.353	0.3	1
1109	1	97	GLY	CA	C	47.833	0.3	1
1110	1	97	GLY	N	N	110.262	0.3	1
1111	1	98	ILE	H	H	8.101	0.020	1
1112	1	98	ILE	HA	H	3.807	0.020	1
1113	1	98	ILE	HB	H	1.940	0.020	1
1114	1	98	ILE	HG12	H	0.961	0.020	2
1115	1	98	ILE	HG13	H	1.983	0.020	2
1116	1	98	ILE	HG21	H	0.936	0.020	1
1117	1	98	ILE	HG22	H	0.936	0.020	1
1118	1	98	ILE	HG23	H	0.936	0.020	1
1119	1	98	ILE	HD11	H	0.879	0.020	1
1120	1	98	ILE	HD12	H	0.879	0.020	1
1121	1	98	ILE	HD13	H	0.879	0.020	1
1122	1	98	ILE	C	C	178.492	0.3	1
1123	1	98	ILE	CA	C	65.423	0.3	1
1124	1	98	ILE	CB	C	39.358	0.3	1
1125	1	98	ILE	CG1	C	29.651	0.3	1
1126	1	98	ILE	CG2	C	18.390	0.3	1
1127	1	98	ILE	CD1	C	14.996	0.3	1
1128	1	98	ILE	N	N	123.781	0.3	1
1129	1	99	LEU	H	H	8.635	0.020	1
1130	1	99	LEU	HA	H	3.582	0.020	1
1131	1	99	LEU	HB2	H	1.472	0.020	2
1132	1	99	LEU	HB3	H	2.327	0.020	2
1133	1	99	LEU	HG	H	1.868	0.020	1
1134	1	99	LEU	HD11	H	0.908	0.020	2
1135	1	99	LEU	HD12	H	0.908	0.020	2
1136	1	99	LEU	HD13	H	0.908	0.020	2
1137	1	99	LEU	HD21	H	1.090	0.020	2
1138	1	99	LEU	HD22	H	1.090	0.020	2
1139	1	99	LEU	HD23	H	1.090	0.020	2
1140	1	99	LEU	C	C	177.779	0.3	1
1141	1	99	LEU	CA	C	59.168	0.3	1
1142	1	99	LEU	CB	C	42.554	0.3	1
1143	1	99	LEU	CG	C	27.388	0.3	1
1144	1	99	LEU	CD1	C	25.017	0.3	1
1145	1	99	LEU	CD2	C	27.578	0.3	1
1146	1	99	LEU	N	N	119.312	0.3	1
1147	1	100	SER	H	H	8.755	0.020	1
1148	1	100	SER	HA	H	4.630	0.020	1
1149	1	100	SER	HB2	H	4.075	0.020	2
1150	1	100	SER	HB3	H	3.985	0.020	2
1151	1	100	SER	CA	C	63.644	0.3	1
1152	1	100	SER	CB	C	63.456	0.3	1
1153	1	100	SER	N	N	114.737	0.3	1
1154	1	101	ASN	H	H	8.193	0.020	1
1155	1	101	ASN	HA	H	4.479	0.020	1
1156	1	101	ASN	HB2	H	2.932	0.020	2
1157	1	101	ASN	HB3	H	2.816	0.020	2
1158	1	101	ASN	HD21	H	6.947	0.020	1
1159	1	101	ASN	HD22	H	7.601	0.020	1
1160	1	101	ASN	C	C	177.985	0.3	1
1161	1	101	ASN	CA	C	57.175	0.3	1
1162	1	101	ASN	CB	C	38.651	0.3	1
1163	1	101	ASN	N	N	117.780	0.3	1
1164	1	101	ASN	ND2	N	113.570	0.3	1
1165	1	102	CYS	H	H	8.537	0.020	1
1166	1	102	CYS	HA	H	4.759	0.020	1
1167	1	102	CYS	HB2	H	2.274	0.020	2
1168	1	102	CYS	HB3	H	2.451	0.020	2
1169	1	102	CYS	C	C	179.181	0.3	1
1170	1	102	CYS	CA	C	56.757	0.3	1
1171	1	102	CYS	CB	C	37.386	0.3	1
1172	1	102	CYS	N	N	117.315	0.3	1
1173	1	103	PHE	H	H	9.575	0.020	1
1174	1	103	PHE	HA	H	4.430	0.020	1
1175	1	103	PHE	HB2	H	3.764	0.020	2
1176	1	103	PHE	HB3	H	3.419	0.020	2
1177	1	103	PHE	HD1	H	7.283	0.020	1
1178	1	103	PHE	HD2	H	7.283	0.020	1
1179	1	103	PHE	HE1	H	6.853	0.020	1
1180	1	103	PHE	HE2	H	6.853	0.020	1
1181	1	103	PHE	HZ	H	6.058	0.020	1
1182	1	103	PHE	CA	C	65.120	0.3	1
1183	1	103	PHE	CB	C	37.954	0.3	1
1184	1	103	PHE	CD1	C	133.107	0.3	1
1185	1	103	PHE	CE1	C	130.917	0.3	1
1186	1	103	PHE	CZ	C	129.079	0.3	1
1187	1	103	PHE	N	N	127.647	0.3	1
1188	1	104	ILE	H	H	8.535	0.020	1
1189	1	104	ILE	HA	H	3.305	0.020	1
1190	1	104	ILE	HB	H	1.917	0.020	1
1191	1	104	ILE	HG12	H	1.668	0.020	2
1192	1	104	ILE	HG13	H	0.707	0.020	2
1193	1	104	ILE	HG21	H	0.786	0.020	1
1194	1	104	ILE	HG22	H	0.786	0.020	1
1195	1	104	ILE	HG23	H	0.786	0.020	1
1196	1	104	ILE	HD11	H	0.882	0.020	1
1197	1	104	ILE	HD12	H	0.882	0.020	1
1198	1	104	ILE	HD13	H	0.882	0.020	1
1199	1	104	ILE	CA	C	66.684	0.3	1
1200	1	104	ILE	CB	C	38.350	0.3	1
1201	1	104	ILE	CG1	C	30.298	0.3	1
1202	1	104	ILE	CG2	C	17.407	0.3	1
1203	1	104	ILE	CD1	C	14.133	0.3	1
1204	1	104	ILE	N	N	125.396	0.3	1
1205	1	105	GLN	H	H	8.804	0.020	1
1206	1	105	GLN	HA	H	3.993	0.020	1
1207	1	105	GLN	HB2	H	2.154	0.020	1
1208	1	105	GLN	HB3	H	2.154	0.020	1
1209	1	105	GLN	HG2	H	2.341	0.020	2
1210	1	105	GLN	HG3	H	2.440	0.020	2
1211	1	105	GLN	HE21	H	7.399	0.020	1
1212	1	105	GLN	HE22	H	6.867	0.020	1
1213	1	105	GLN	C	C	177.308	0.3	1
1214	1	105	GLN	CA	C	59.450	0.3	1
1215	1	105	GLN	CB	C	30.246	0.3	1
1216	1	105	GLN	CG	C	34.334	0.3	1
1217	1	105	GLN	N	N	119.060	0.3	1
1218	1	105	GLN	NE2	N	112.138	0.3	1
1219	1	106	THR	H	H	7.776	0.020	1
1220	1	106	THR	HA	H	4.275	0.020	1
1221	1	106	THR	HB	H	4.145	0.020	1
1222	1	106	THR	HG21	H	1.341	0.020	1
1223	1	106	THR	HG22	H	1.341	0.020	1
1224	1	106	THR	HG23	H	1.341	0.020	1
1225	1	106	THR	C	C	175.556	0.3	1
1226	1	106	THR	CA	C	64.949	0.3	1
1227	1	106	THR	CB	C	70.645	0.3	1
1228	1	106	THR	CG2	C	22.526	0.3	1
1229	1	106	THR	N	N	107.484	0.3	1
1230	1	107	THR	H	H	8.510	0.020	1
1231	1	107	THR	HA	H	4.734	0.020	1
1232	1	107	THR	HB	H	4.435	0.020	1
1233	1	107	THR	HG21	H	1.333	0.020	1
1234	1	107	THR	HG22	H	1.333	0.020	1
1235	1	107	THR	HG23	H	1.333	0.020	1
1236	1	107	THR	C	C	175.290	0.3	1
1237	1	107	THR	CA	C	62.310	0.3	1
1238	1	107	THR	CB	C	72.663	0.3	1
1239	1	107	THR	CG2	C	22.382	0.3	1
1240	1	107	THR	N	N	109.102	0.3	1
1241	1	108	GLY	H	H	8.159	0.020	1
1242	1	108	GLY	HA2	H	3.843	0.020	2
1243	1	108	GLY	HA3	H	4.521	0.020	2
1244	1	108	GLY	C	C	173.187	0.3	1
1245	1	108	GLY	CA	C	45.937	0.3	1
1246	1	108	GLY	N	N	112.264	0.3	1
1247	1	109	SER	H	H	7.937	0.020	1
1248	1	109	SER	HA	H	4.756	0.020	1
1249	1	109	SER	HB2	H	3.823	0.020	2
1250	1	109	SER	HB3	H	3.621	0.020	2
1251	1	109	SER	C	C	171.386	0.3	1
1252	1	109	SER	CA	C	57.394	0.3	1
1253	1	109	SER	CB	C	66.626	0.3	1
1254	1	109	SER	N	N	114.885	0.3	1
1255	1	110	ASP	H	H	8.447	0.020	1
1256	1	110	ASP	HA	H	4.595	0.020	1
1257	1	110	ASP	HB2	H	2.702	0.020	2
1258	1	110	ASP	HB3	H	2.604	0.020	2
1259	1	110	ASP	C	C	175.411	0.3	1
1260	1	110	ASP	CA	C	53.727	0.3	1
1261	1	110	ASP	CB	C	41.219	0.3	1
1262	1	110	ASP	N	N	119.907	0.3	1
1263	1	111	ASN	H	H	9.139	0.020	1
1264	1	111	ASN	HA	H	4.839	0.020	1
1265	1	111	ASN	HB2	H	1.740	0.020	2
1266	1	111	ASN	HB3	H	1.389	0.020	2
1267	1	111	ASN	HD21	H	6.880	0.020	1
1268	1	111	ASN	HD22	H	5.598	0.020	1
1269	1	111	ASN	C	C	171.894	0.3	1
1270	1	111	ASN	CA	C	53.707	0.3	1
1271	1	111	ASN	CB	C	37.589	0.3	1
1272	1	111	ASN	N	N	117.913	0.3	1
1273	1	111	ASN	ND2	N	110.038	0.3	1
1274	1	112	PRO	HA	H	4.295	0.020	1
1275	1	112	PRO	HB2	H	2.325	0.020	2
1276	1	112	PRO	HB3	H	1.961	0.020	2
1277	1	112	PRO	HG2	H	2.034	0.020	2
1278	1	112	PRO	HG3	H	1.961	0.020	2
1279	1	112	PRO	HD2	H	3.241	0.020	2
1280	1	112	PRO	HD3	H	3.804	0.020	2
1281	1	112	PRO	CA	C	64.759	0.3	1
1282	1	112	PRO	CB	C	32.031	0.3	1
1283	1	112	PRO	CG	C	27.526	0.3	1
1284	1	112	PRO	CD	C	50.909	0.3	1
1285	1	113	ALA	H	H	8.160	0.020	1
1286	1	113	ALA	HA	H	4.106	0.020	1
1287	1	113	ALA	HB1	H	1.408	0.020	1
1288	1	113	ALA	HB2	H	1.408	0.020	1
1289	1	113	ALA	HB3	H	1.408	0.020	1
1290	1	113	ALA	CA	C	55.454	0.3	1
1291	1	113	ALA	CB	C	18.485	0.3	1
1292	1	113	ALA	N	N	120.828	0.3	1
1293	1	114	PHE	H	H	7.668	0.020	1
1294	1	114	PHE	HA	H	3.972	0.020	1
1295	1	114	PHE	HB2	H	3.007	0.020	2
1296	1	114	PHE	HB3	H	2.914	0.020	2
1297	1	114	PHE	HD1	H	7.279	0.020	1
1298	1	114	PHE	HD2	H	7.279	0.020	1
1299	1	114	PHE	HE1	H	7.630	0.020	1
1300	1	114	PHE	HE2	H	7.630	0.020	1
1301	1	114	PHE	HZ	H	7.090	0.020	1
1302	1	114	PHE	C	C	176.837	0.3	1
1303	1	114	PHE	CA	C	61.899	0.3	1
1304	1	114	PHE	CB	C	40.569	0.3	1
1305	1	114	PHE	CD1	C	132.000	0.3	1
1306	1	114	PHE	CE1	C	132.035	0.3	1
1307	1	114	PHE	CZ	C	127.958	0.3	1
1308	1	114	PHE	N	N	121.314	0.3	1
1309	1	115	VAL	H	H	7.348	0.020	1
1310	1	115	VAL	HA	H	3.634	0.020	1
1311	1	115	VAL	HB	H	2.237	0.020	1
1312	1	115	VAL	HG11	H	1.262	0.020	2
1313	1	115	VAL	HG12	H	1.262	0.020	2
1314	1	115	VAL	HG13	H	1.262	0.020	2
1315	1	115	VAL	HG21	H	1.094	0.020	2
1316	1	115	VAL	HG22	H	1.094	0.020	2
1317	1	115	VAL	HG23	H	1.094	0.020	2
1318	1	115	VAL	C	C	177.961	0.3	1
1319	1	115	VAL	CA	C	67.179	0.3	1
1320	1	115	VAL	CB	C	32.236	0.3	1
1321	1	115	VAL	CG1	C	22.971	0.3	1
1322	1	115	VAL	CG2	C	21.895	0.3	1
1323	1	115	VAL	N	N	116.880	0.3	1
1324	1	116	SER	H	H	8.503	0.020	1
1325	1	116	SER	HA	H	4.236	0.020	1
1326	1	116	SER	HB2	H	3.915	0.020	1
1327	1	116	SER	HB3	H	3.915	0.020	1
1328	1	116	SER	C	C	176.885	0.3	1
1329	1	116	SER	CA	C	61.723	0.3	1
1330	1	116	SER	CB	C	62.814	0.3	1
1331	1	116	SER	N	N	115.563	0.3	1
1332	1	117	ARG	H	H	7.809	0.020	1
1333	1	117	ARG	HA	H	3.991	0.020	1
1334	1	117	ARG	HB2	H	1.888	0.020	2
1335	1	117	ARG	HB3	H	1.722	0.020	2
1336	1	117	ARG	HG2	H	1.237	0.020	2
1337	1	117	ARG	HG3	H	1.540	0.020	2
1338	1	117	ARG	HD2	H	3.004	0.020	2
1339	1	117	ARG	HD3	H	2.786	0.020	2
1340	1	117	ARG	HE	H	7.329	0.020	1
1341	1	117	ARG	HH11	H	6.741	0.020	1
1342	1	117	ARG	HH12	H	6.741	0.020	1
1343	1	117	ARG	HH21	H	6.715	0.020	1
1344	1	117	ARG	HH22	H	6.715	0.020	1
1345	1	117	ARG	C	C	178.601	0.3	1
1346	1	117	ARG	CA	C	58.311	0.3	1
1347	1	117	ARG	CB	C	27.755	0.3	1
1348	1	117	ARG	CG	C	26.455	0.3	1
1349	1	117	ARG	CD	C	42.028	0.3	1
1350	1	117	ARG	N	N	122.858	0.3	1
1351	1	117	ARG	NE	N	81.937	0.3	1
1352	1	117	ARG	NH1	N	73.238	0.3	1
1353	1	117	ARG	NH2	N	73.239	0.3	1
1354	1	118	ILE	H	H	7.545	0.020	1
1355	1	118	ILE	HA	H	3.417	0.020	1
1356	1	118	ILE	HB	H	2.065	0.020	1
1357	1	118	ILE	HG12	H	0.962	0.020	2
1358	1	118	ILE	HG13	H	1.415	0.020	2
1359	1	118	ILE	HG21	H	0.863	0.020	1
1360	1	118	ILE	HG22	H	0.863	0.020	1
1361	1	118	ILE	HG23	H	0.863	0.020	1
1362	1	118	ILE	HD11	H	0.807	0.020	1
1363	1	118	ILE	HD12	H	0.807	0.020	1
1364	1	118	ILE	HD13	H	0.807	0.020	1
1365	1	118	ILE	C	C	176.752	0.3	1
1366	1	118	ILE	CA	C	66.433	0.3	1
1367	1	118	ILE	CB	C	37.577	0.3	1
1368	1	118	ILE	CG1	C	29.210	0.3	1
1369	1	118	ILE	CG2	C	15.894	0.3	1
1370	1	118	ILE	CD1	C	14.266	0.3	1
1371	1	118	ILE	N	N	120.361	0.3	1
1372	1	119	GLN	H	H	7.789	0.020	1
1373	1	119	GLN	HA	H	3.907	0.020	1
1374	1	119	GLN	HB2	H	2.193	0.020	2
1375	1	119	GLN	HB3	H	2.114	0.020	2
1376	1	119	GLN	HG2	H	2.408	0.020	2
1377	1	119	GLN	HG3	H	2.528	0.020	2
1378	1	119	GLN	HE21	H	6.757	0.020	1
1379	1	119	GLN	HE22	H	7.283	0.020	1
1380	1	119	GLN	C	C	179.230	0.3	1
1381	1	119	GLN	CA	C	58.966	0.3	1
1382	1	119	GLN	CB	C	28.596	0.3	1
1383	1	119	GLN	CG	C	34.290	0.3	1
1384	1	119	GLN	N	N	115.846	0.3	1
1385	1	119	GLN	NE2	N	110.555	0.3	1
1386	1	120	SER	H	H	8.276	0.020	1
1387	1	120	SER	HA	H	4.304	0.020	1
1388	1	120	SER	HB2	H	4.001	0.020	2
1389	1	120	SER	HB3	H	3.795	0.020	2
1390	1	120	SER	C	C	175.556	0.3	1
1391	1	120	SER	CA	C	61.401	0.3	1
1392	1	120	SER	CB	C	64.756	0.3	1
1393	1	120	SER	N	N	115.096	0.3	1
1394	1	121	LEU	H	H	7.984	0.020	1
1395	1	121	LEU	HA	H	4.058	0.020	1
1396	1	121	LEU	HB2	H	1.194	0.020	2
1397	1	121	LEU	HB3	H	1.990	0.020	2
1398	1	121	LEU	HG	H	1.673	0.020	1
1399	1	121	LEU	HD11	H	0.608	0.020	2
1400	1	121	LEU	HD12	H	0.608	0.020	2
1401	1	121	LEU	HD13	H	0.608	0.020	2
1402	1	121	LEU	HD21	H	0.516	0.020	2
1403	1	121	LEU	HD22	H	0.516	0.020	2
1404	1	121	LEU	HD23	H	0.516	0.020	2
1405	1	121	LEU	CA	C	56.697	0.3	1
1406	1	121	LEU	CB	C	42.559	0.3	1
1407	1	121	LEU	CG	C	27.081	0.3	1
1408	1	121	LEU	CD1	C	23.428	0.3	1
1409	1	121	LEU	CD2	C	26.646	0.3	1
1410	1	121	LEU	N	N	121.318	0.3	1
1411	1	122	ILE	H	H	7.868	0.020	1
1412	1	122	ILE	HA	H	3.425	0.020	1
1413	1	122	ILE	HB	H	1.906	0.020	1
1414	1	122	ILE	HG12	H	1.149	0.020	2
1415	1	122	ILE	HG13	H	1.756	0.020	2
1416	1	122	ILE	HG21	H	0.921	0.020	1
1417	1	122	ILE	HG22	H	0.921	0.020	1
1418	1	122	ILE	HG23	H	0.921	0.020	1
1419	1	122	ILE	HD11	H	0.807	0.020	1
1420	1	122	ILE	HD12	H	0.807	0.020	1
1421	1	122	ILE	HD13	H	0.807	0.020	1
1422	1	122	ILE	C	C	177.912	0.3	1
1423	1	122	ILE	CA	C	65.627	0.3	1
1424	1	122	ILE	CB	C	37.843	0.3	1
1425	1	122	ILE	CG1	C	29.071	0.3	1
1426	1	122	ILE	CG2	C	17.543	0.3	1
1427	1	122	ILE	CD1	C	14.127	0.3	1
1428	1	122	ILE	N	N	120.160	0.3	1
1429	1	123	SER	H	H	7.871	0.020	1
1430	1	123	SER	HA	H	4.137	0.020	1
1431	1	123	SER	HB2	H	3.920	0.020	1
1432	1	123	SER	HB3	H	3.920	0.020	1
1433	1	123	SER	C	C	175.761	0.3	1
1434	1	123	SER	CA	C	61.580	0.3	1
1435	1	123	SER	CB	C	62.809	0.3	1
1436	1	123	SER	N	N	114.251	0.3	1
1437	1	124	VAL	H	H	7.249	0.020	1
1438	1	124	VAL	HA	H	3.950	0.020	1
1439	1	124	VAL	HB	H	1.991	0.020	1
1440	1	124	VAL	HG11	H	0.962	0.020	2
1441	1	124	VAL	HG12	H	0.962	0.020	2
1442	1	124	VAL	HG13	H	0.962	0.020	2
1443	1	124	VAL	HG21	H	0.829	0.020	2
1444	1	124	VAL	HG22	H	0.829	0.020	2
1445	1	124	VAL	HG23	H	0.829	0.020	2
1446	1	124	VAL	C	C	177.683	0.3	1
1447	1	124	VAL	CA	C	64.774	0.3	1
1448	1	124	VAL	CB	C	32.851	0.3	1
1449	1	124	VAL	CG1	C	22.420	0.3	1
1450	1	124	VAL	CG2	C	21.534	0.3	1
1451	1	124	VAL	N	N	118.792	0.3	1
1452	1	125	LEU	H	H	8.240	0.020	1
1453	1	125	LEU	HA	H	4.081	0.020	1
1454	1	125	LEU	HB2	H	1.503	0.020	2
1455	1	125	LEU	HB3	H	1.436	0.020	2
1456	1	125	LEU	HG	H	1.767	0.020	1
1457	1	125	LEU	HD11	H	0.743	0.020	2
1458	1	125	LEU	HD12	H	0.743	0.020	2
1459	1	125	LEU	HD13	H	0.743	0.020	2
1460	1	125	LEU	HD21	H	0.653	0.020	2
1461	1	125	LEU	HD22	H	0.653	0.020	2
1462	1	125	LEU	HD23	H	0.653	0.020	2
1463	1	125	LEU	CA	C	56.458	0.3	1
1464	1	125	LEU	CB	C	41.512	0.3	1
1465	1	125	LEU	CG	C	27.006	0.3	1
1466	1	125	LEU	CD1	C	26.758	0.3	1
1467	1	125	LEU	CD2	C	22.079	0.3	1
1468	1	125	LEU	N	N	117.780	0.3	1
1469	1	126	SER	H	H	7.720	0.020	1
1470	1	126	SER	HA	H	4.304	0.020	1
1471	1	126	SER	HB2	H	4.042	0.020	2
1472	1	126	SER	HB3	H	3.843	0.020	2
1473	1	126	SER	C	C	173.985	0.3	1
1474	1	126	SER	CA	C	59.328	0.3	1
1475	1	126	SER	CB	C	64.091	0.3	1
1476	1	126	SER	N	N	111.837	0.3	1
1477	1	127	GLN	H	H	7.485	0.020	1
1478	1	127	GLN	HA	H	4.319	0.020	1
1479	1	127	GLN	HB2	H	2.099	0.020	2
1480	1	127	GLN	HB3	H	2.006	0.020	2
1481	1	127	GLN	HG2	H	2.365	0.020	2
1482	1	127	GLN	HG3	H	2.434	0.020	2
1483	1	127	GLN	HE21	H	6.818	0.020	1
1484	1	127	GLN	HE22	H	7.449	0.020	1
1485	1	127	GLN	CA	C	56.221	0.3	1
1486	1	127	GLN	CB	C	29.721	0.3	1
1487	1	127	GLN	CG	C	34.157	0.3	1
1488	1	127	GLN	N	N	120.821	0.3	1
1489	1	127	GLN	NE2	N	112.161	0.3	1
1490	1	128	ASN	H	H	8.466	0.020	1
1491	1	128	ASN	HA	H	4.746	0.020	1
1492	1	128	ASN	HB2	H	2.811	0.020	2
1493	1	128	ASN	HB3	H	2.744	0.020	2
1494	1	128	ASN	HD21	H	6.907	0.020	1
1495	1	128	ASN	HD22	H	7.607	0.020	1
1496	1	128	ASN	C	C	175.193	0.3	1
1497	1	128	ASN	CA	C	53.692	0.3	1
1498	1	128	ASN	CB	C	39.071	0.3	1
1499	1	128	ASN	N	N	120.138	0.3	1
1500	1	128	ASN	ND2	N	112.944	0.3	1
1501	1	129	THR	H	H	8.120	0.020	1
1502	1	129	THR	HA	H	4.289	0.020	1
1503	1	129	THR	HB	H	4.240	0.020	1
1504	1	129	THR	HG21	H	1.136	0.020	1
1505	1	129	THR	HG22	H	1.136	0.020	1
1506	1	129	THR	HG23	H	1.136	0.020	1
1507	1	129	THR	C	C	174.130	0.3	1
1508	1	129	THR	CA	C	62.098	0.3	1
1509	1	129	THR	CB	C	69.954	0.3	1
1510	1	129	THR	CG2	C	21.811	0.3	1
1511	1	129	THR	N	N	114.035	0.3	1
1512	1	130	ASP	H	H	8.382	0.020	1
1513	1	130	ASP	HA	H	4.606	0.020	1
1514	1	130	ASP	HB2	H	2.691	0.020	2
1515	1	130	ASP	HB3	H	2.603	0.020	2
1516	1	130	ASP	C	C	176.136	0.3	1
1517	1	130	ASP	CA	C	54.763	0.3	1
1518	1	130	ASP	CB	C	41.192	0.3	1
1519	1	130	ASP	N	N	122.754	0.3	1
1520	1	131	VAL	H	H	7.955	0.020	1
1521	1	131	VAL	HA	H	4.067	0.020	1
1522	1	131	VAL	HB	H	2.080	0.020	1
1523	1	131	VAL	HG11	H	0.881	0.020	2
1524	1	131	VAL	HG12	H	0.881	0.020	2
1525	1	131	VAL	HG13	H	0.881	0.020	2
1526	1	131	VAL	HG21	H	0.875	0.020	2
1527	1	131	VAL	HG22	H	0.875	0.020	2
1528	1	131	VAL	HG23	H	0.875	0.020	2
1529	1	131	VAL	C	C	175.604	0.3	1
1530	1	131	VAL	CA	C	62.606	0.3	1
1531	1	131	VAL	CB	C	32.900	0.3	1
1532	1	131	VAL	CG1	C	21.465	0.3	1
1533	1	131	VAL	CG2	C	20.381	0.3	1
1534	1	131	VAL	N	N	119.321	0.3	1
1535	1	132	ASN	H	H	8.435	0.020	1
1536	1	132	ASN	HA	H	4.705	0.020	1
1537	1	132	ASN	HB2	H	2.765	0.020	2
1538	1	132	ASN	HB3	H	2.713	0.020	2
1539	1	132	ASN	HD21	H	6.873	0.020	1
1540	1	132	ASN	HD22	H	7.615	0.020	1
1541	1	132	ASN	C	C	174.661	0.3	1
1542	1	132	ASN	CA	C	53.667	0.3	1
1543	1	132	ASN	CB	C	39.396	0.3	1
1544	1	132	ASN	N	N	121.708	0.3	1
1545	1	132	ASN	ND2	N	113.050	0.3	1
1546	1	133	ILE	H	H	8.004	0.020	1
1547	1	133	ILE	HA	H	4.136	0.020	1
1548	1	133	ILE	HB	H	1.845	0.020	1
1549	1	133	ILE	HG12	H	1.415	0.020	2
1550	1	133	ILE	HG13	H	1.139	0.020	2
1551	1	133	ILE	HG21	H	0.844	0.020	1
1552	1	133	ILE	HG22	H	0.844	0.020	1
1553	1	133	ILE	HG23	H	0.844	0.020	1
1554	1	133	ILE	HD11	H	0.818	0.020	1
1555	1	133	ILE	HD12	H	0.818	0.020	1
1556	1	133	ILE	HD13	H	0.818	0.020	1
1557	1	133	ILE	C	C	175.882	0.3	1
1558	1	133	ILE	CA	C	61.301	0.3	1
1559	1	133	ILE	CB	C	39.024	0.3	1
1560	1	133	ILE	CG1	C	27.569	0.3	1
1561	1	133	ILE	CG2	C	17.788	0.3	1
1562	1	133	ILE	CD1	C	13.178	0.3	1
1563	1	133	ILE	N	N	121.266	0.3	1
1564	1	134	ILE	H	H	8.194	0.020	1
1565	1	134	ILE	HA	H	4.199	0.020	1
1566	1	134	ILE	HB	H	1.845	0.020	1
1567	1	134	ILE	HG12	H	1.168	0.020	2
1568	1	134	ILE	HG13	H	1.445	0.020	2
1569	1	134	ILE	HG21	H	0.879	0.020	1
1570	1	134	ILE	HG22	H	0.879	0.020	1
1571	1	134	ILE	HG23	H	0.879	0.020	1
1572	1	134	ILE	HD11	H	0.822	0.020	1
1573	1	134	ILE	HD12	H	0.822	0.020	1
1574	1	134	ILE	HD13	H	0.822	0.020	1
1575	1	134	ILE	C	C	175.918	0.3	1
1576	1	134	ILE	CA	C	61.008	0.3	1
1577	1	134	ILE	CB	C	38.675	0.3	1
1578	1	134	ILE	CG1	C	27.576	0.3	1
1579	1	134	ILE	CG2	C	17.781	0.3	1
1580	1	134	ILE	CD1	C	13.156	0.3	1
1581	1	134	ILE	N	N	125.058	0.3	1
1582	1	135	SER	H	H	8.410	0.020	1
1583	1	135	SER	HA	H	4.547	0.020	1
1584	1	135	SER	HB2	H	3.845	0.020	1
1585	1	135	SER	HB3	H	3.845	0.020	1
1586	1	135	SER	C	C	174.456	0.3	1
1587	1	135	SER	CA	C	58.337	0.3	1
1588	1	135	SER	CB	C	64.218	0.3	1
1589	1	135	SER	N	N	120.387	0.3	1
1590	1	136	THR	H	H	8.210	0.020	1
1591	1	136	THR	HA	H	4.353	0.020	1
1592	1	136	THR	HB	H	4.285	0.020	1
1593	1	136	THR	HG21	H	1.175	0.020	1
1594	1	136	THR	HG22	H	1.175	0.020	1
1595	1	136	THR	HG23	H	1.175	0.020	1
1596	1	136	THR	C	C	173.211	0.3	1
1597	1	136	THR	CA	C	61.843	0.3	1
1598	1	136	THR	CB	C	70.122	0.3	1
1599	1	136	THR	CG2	C	21.615	0.3	1
1600	1	136	THR	N	N	116.327	0.3	1
1601	1	137	ALA	H	H	7.939	0.020	1
1602	1	137	ALA	HA	H	4.118	0.020	1
1603	1	137	ALA	HB1	H	1.314	0.020	1
1604	1	137	ALA	HB2	H	1.314	0.020	1
1605	1	137	ALA	HB3	H	1.314	0.020	1
1606	1	137	ALA	C	C	171.254	0.3	1
1607	1	137	ALA	CA	C	54.184	0.3	1
1608	1	137	ALA	CB	C	20.394	0.3	1
1609	1	137	ALA	N	N	131.591	0.3	1

Protein Blocks Logo

Calculated from 20 models in PDB: 6TV5, Strand ID: A, B Detail

Release date

2020-07-13

Citation

Solution Structure of Tubuliform Spidroin N-Terminal Domain and Implications for pH Dependent Dimerization
Sede, M., Fridmanis, J., Otikovs, M., Johansson, J., Rising, A., Kronqvist, N., Jaudzems, K.
Front. Mol. Biosci. (2022), 9, 936887-936887, PubMed 35775078 , DOI 10.3389/fmolb.2022.936887 , Abstract

Related entities 1. Tubuliform spidroin 1, : 1 : 19 entities Detail

Experiments performed 9 experiments Detail

1 3D 1H-15N NOESY

Instrument

Bruker AVANCE - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 5.5 (±0.1), Details 20 mM NA sodium chloride, 20 mM [U-99% 2H] acetic acid, 2 mM [U-13C; U-15N] Tubuliform protein N-terminal domain, 0.03 % NA sodium azide, 1 mM NA EDTA, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	20 mM
2	acetic acid	[U-99% 2H]	20 mM
3	Tubuliform protein N-terminal domain	[U-13C; U-15N]	2 mM
4	sodium azide	natural abundance	0.03 %
5	EDTA	natural abundance	1 mM

2 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	20 mM
2	acetic acid	[U-99% 2H]	20 mM
3	Tubuliform protein N-terminal domain	[U-13C; U-15N]	2 mM
4	sodium azide	natural abundance	0.03 %
5	EDTA	natural abundance	1 mM

3 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	20 mM
2	acetic acid	[U-99% 2H]	20 mM
3	Tubuliform protein N-terminal domain	[U-13C; U-15N]	2 mM
4	sodium azide	natural abundance	0.03 %
5	EDTA	natural abundance	1 mM

4 3D CBCA(CO)NH

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	20 mM
2	acetic acid	[U-99% 2H]	20 mM
3	Tubuliform protein N-terminal domain	[U-13C; U-15N]	2 mM
4	sodium azide	natural abundance	0.03 %
5	EDTA	natural abundance	1 mM

5 3D HNHA

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	20 mM
2	acetic acid	[U-99% 2H]	20 mM
3	Tubuliform protein N-terminal domain	[U-13C; U-15N]	2 mM
4	sodium azide	natural abundance	0.03 %
5	EDTA	natural abundance	1 mM

6 3D HNCA

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	20 mM
2	acetic acid	[U-99% 2H]	20 mM
3	Tubuliform protein N-terminal domain	[U-13C; U-15N]	2 mM
4	sodium azide	natural abundance	0.03 %
5	EDTA	natural abundance	1 mM

7 3D HN(CA)CO

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	20 mM
2	acetic acid	[U-99% 2H]	20 mM
3	Tubuliform protein N-terminal domain	[U-13C; U-15N]	2 mM
4	sodium azide	natural abundance	0.03 %
5	EDTA	natural abundance	1 mM

8 3D HNCO

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	20 mM
2	acetic acid	[U-99% 2H]	20 mM
3	Tubuliform protein N-terminal domain	[U-13C; U-15N]	2 mM
4	sodium azide	natural abundance	0.03 %
5	EDTA	natural abundance	1 mM

9 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	20 mM
2	acetic acid	[U-99% 2H]	20 mM
3	Tubuliform protein N-terminal domain	[U-13C; U-15N]	2 mM
4	sodium azide	natural abundance	0.03 %
5	EDTA	natural abundance	1 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34473_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:22:CYS:SG	1:102:CYS:SG	oxidized, CA 60.562, CB 37.78 ppm	oxidized, CA 56.757, CB 37.386 ppm	n/a
2:22:CYS:SG	2:102:CYS:SG	unknown	unknown	n/a

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

None

Non-standard residues

None

Content subtype: bmr34473_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1609		100.0 (chain: 1, length: 137)
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: 137, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 930
  - ¹³C chemical shifts: 523
  - ¹⁵N chemical shifts: 156
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
117	ARG	HH11	6.741
117	ARG	HH12	6.741
117	ARG	HH21	6.715
117	ARG	HH22	6.715
117	ARG	NH1	73.238
117	ARG	NH2	73.239

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	735	732	99.6
¹³C chemical shifts	570	523	91.8
¹⁵N chemical shifts	155	154	99.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	276	275	99.6
¹³C chemical shifts	274	241	88.0
¹⁵N chemical shifts	132	131	99.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	459	457	99.6
¹³C chemical shifts	296	282	95.3
¹⁵N chemical shifts	23	23	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	97	97	100.0
¹³C chemical shifts	97	97	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	34	33	97.1
¹³C chemical shifts	34	20	58.8

Keywords N-terminal domain, STRUCTURAL PROTEIN, Spidroin, spidersilk

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Found 1 Document (0.942 seconds)

BMRB: 34473

Related entities 1. Tubuliform spidroin 1, : 1 : 19 entities Detail

Experiments performed 9 experiments Detail

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Chemical shift validation 3 contents Detail