BMRBj - BMREntryMaster

Found 1 Document (0.87 seconds)

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

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

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

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.87 seconds)

BMRB: 34473

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

Experiments performed 9 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail