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BMRB: 31044

8EPY

The solution structure of abxF, an enzyme catalyzing the formation of chiral spiroketal of an antibiotics, (-)-ABX

Authors

Jia, X., Yan, X., Mobli, M., Qu, X.

Assembly

Glyoxalase

Entity

1. Glyoxalase (polymer), 245 monomers, 25172.77 Da Detail

GSHMSHDAVR PAPGEPTWVD LLTPDRGAAL QFYSALFGWE FSTTSDGTSP YTMCRLRGRE VCSIGDLGEN PGPALGGWSS YLSVDDADAA AAAVPELGGA VLLGPIDILA QGRMLLAGDP SGHRVGLWQA KEHTGSGPDD GIGAYTRSEL LTGASATDGA FYRGLFGADF ATESGTDGGG RRAAIRQVGP AAPSGWYPCF RAQESAVPAA VMLGASVLLR YDCPDGPAVV VSAPGGEVFT LLLTD

Formula weight

25172.77 Da

Source organism

Streptomyces sp.

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 1500, ¹³C: 962, ¹⁵N: 240 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	3	HIS	HD2	H	7.113	0.000	1
2	1	3	HIS	CA	C	56.217	0.000	1
3	1	3	HIS	CB	C	30.060	0.000	1
4	1	3	HIS	CD2	C	119.988	0.000	1
5	1	4	MET	H	H	8.377	0.000	1
6	1	4	MET	HA	H	4.460	0.000	1
7	1	4	MET	HB2	H	1.924	0.000	2
8	1	4	MET	HB3	H	2.037	0.004	2
9	1	4	MET	HG2	H	2.496	0.000	2
10	1	4	MET	HG3	H	2.429	0.000	2
11	1	4	MET	C	C	176.012	0.000	1
12	1	4	MET	CA	C	55.448	0.000	1
13	1	4	MET	CB	C	32.986	0.000	1
14	1	4	MET	CG	C	31.867	0.001	1
15	1	4	MET	N	N	121.802	0.000	1
16	1	5	SER	H	H	8.354	0.000	1
17	1	5	SER	HA	H	4.406	0.003	1
18	1	5	SER	HB2	H	3.845	0.000	2
19	1	5	SER	HB3	H	3.845	0.000	2
20	1	5	SER	C	C	174.488	0.000	1
21	1	5	SER	CA	C	58.289	0.000	1
22	1	5	SER	CB	C	63.867	0.000	1
23	1	5	SER	N	N	117.042	0.000	1
24	1	6	HIS	H	H	8.479	0.000	1
25	1	6	HIS	HA	H	4.673	0.000	1
26	1	6	HIS	HB2	H	3.124	0.006	2
27	1	6	HIS	HB3	H	3.249	0.009	2
28	1	6	HIS	HD2	H	7.165	0.000	1
29	1	6	HIS	CA	C	56.044	0.000	1
30	1	6	HIS	CB	C	29.926	0.005	1
31	1	6	HIS	CD2	C	120.079	0.000	1
32	1	6	HIS	N	N	120.939	0.001	1
33	1	7	ASP	H	H	8.285	0.000	1
34	1	7	ASP	HA	H	4.568	0.000	1
35	1	7	ASP	HB2	H	2.571	0.002	2
36	1	7	ASP	HB3	H	2.684	0.002	2
37	1	7	ASP	C	C	175.706	0.005	1
38	1	7	ASP	CA	C	54.363	0.002	1
39	1	7	ASP	CB	C	41.253	0.001	1
40	1	7	ASP	N	N	121.055	0.001	1
41	1	8	ALA	H	H	8.151	0.000	1
42	1	8	ALA	HA	H	4.336	0.000	1
43	1	8	ALA	HB1	H	1.359	0.000	1
44	1	8	ALA	HB2	H	1.359	0.000	1
45	1	8	ALA	HB3	H	1.359	0.000	1
46	1	8	ALA	C	C	177.409	0.004	1
47	1	8	ALA	CA	C	52.427	0.001	1
48	1	8	ALA	CB	C	19.463	0.000	1
49	1	8	ALA	N	N	124.042	0.001	1
50	1	9	VAL	H	H	8.142	0.000	1
51	1	9	VAL	HA	H	4.104	0.000	1
52	1	9	VAL	HB	H	2.035	0.000	1
53	1	9	VAL	HG11	H	0.914	0.000	2
54	1	9	VAL	HG12	H	0.914	0.000	2
55	1	9	VAL	HG13	H	0.914	0.000	2
56	1	9	VAL	HG21	H	0.914	0.000	2
57	1	9	VAL	HG22	H	0.914	0.000	2
58	1	9	VAL	HG23	H	0.914	0.000	2
59	1	9	VAL	C	C	175.615	0.004	1
60	1	9	VAL	CA	C	62.233	0.001	1
61	1	9	VAL	CB	C	32.783	0.003	1
62	1	9	VAL	CG1	C	20.443	0.000	1
63	1	9	VAL	CG2	C	21.244	0.000	1
64	1	9	VAL	N	N	119.664	0.000	1
65	1	10	ARG	H	H	8.297	0.000	1
66	1	10	ARG	HA	H	4.608	0.000	1
67	1	10	ARG	HB2	H	1.700	0.003	2
68	1	10	ARG	HB3	H	1.833	0.001	2
69	1	10	ARG	HG2	H	1.650	0.000	2
70	1	10	ARG	HG3	H	1.650	0.000	2
71	1	10	ARG	HD2	H	3.219	0.001	2
72	1	10	ARG	HD3	H	3.219	0.001	2
73	1	10	ARG	C	C	173.772	0.000	1
74	1	10	ARG	CA	C	53.757	0.000	1
75	1	10	ARG	CB	C	30.586	0.003	1
76	1	10	ARG	CG	C	26.922	0.000	1
77	1	10	ARG	CD	C	43.378	0.001	1
78	1	10	ARG	N	N	125.495	0.001	1
79	1	11	PRO	HA	H	4.453	0.000	1
80	1	11	PRO	HB2	H	2.208	0.000	2
81	1	11	PRO	HB3	H	2.208	0.000	2
82	1	11	PRO	HG2	H	1.952	0.000	2
83	1	11	PRO	HG3	H	1.952	0.000	2
84	1	11	PRO	HD2	H	3.688	0.000	2
85	1	11	PRO	HD3	H	3.688	0.000	2
86	1	11	PRO	C	C	176.382	0.000	1
87	1	11	PRO	CA	C	62.736	0.000	1
88	1	11	PRO	CB	C	31.978	0.000	1
89	1	11	PRO	CG	C	27.480	0.000	1
90	1	11	PRO	CD	C	50.761	0.000	1
91	1	12	ALA	H	H	8.449	0.000	1
92	1	12	ALA	HA	H	4.593	0.004	1
93	1	12	ALA	HB1	H	1.440	0.000	1
94	1	12	ALA	HB2	H	1.440	0.000	1
95	1	12	ALA	HB3	H	1.440	0.000	1
96	1	12	ALA	C	C	174.781	0.000	1
97	1	12	ALA	CA	C	50.327	0.002	1
98	1	12	ALA	CB	C	17.983	0.003	1
99	1	12	ALA	N	N	128.054	0.000	1
100	1	13	PRO	HA	H	4.309	0.002	1
101	1	13	PRO	HB2	H	2.591	0.000	2
102	1	13	PRO	HB3	H	2.591	0.000	2
103	1	13	PRO	HG2	H	2.278	0.002	2
104	1	13	PRO	HG3	H	2.278	0.002	2
105	1	13	PRO	HD2	H	3.961	0.000	2
106	1	13	PRO	HD3	H	3.961	0.000	2
107	1	13	PRO	C	C	178.023	0.000	1
108	1	13	PRO	CA	C	63.622	0.006	1
109	1	13	PRO	CB	C	31.827	0.002	1
110	1	13	PRO	CG	C	28.430	0.001	1
111	1	13	PRO	CD	C	50.181	0.001	1
112	1	14	GLY	H	H	9.601	0.001	1
113	1	14	GLY	HA2	H	3.321	0.000	2
114	1	14	GLY	HA3	H	3.321	0.000	2
115	1	14	GLY	C	C	173.927	0.000	1
116	1	14	GLY	CA	C	43.836	0.000	1
117	1	14	GLY	N	N	116.224	0.003	1
118	1	15	GLU	H	H	8.228	0.000	1
119	1	15	GLU	HA	H	4.457	0.001	1
120	1	15	GLU	HB2	H	2.091	0.000	2
121	1	15	GLU	HB3	H	2.249	0.000	2
122	1	15	GLU	HG2	H	2.574	0.000	2
123	1	15	GLU	HG3	H	2.574	0.000	2
124	1	15	GLU	C	C	176.125	0.000	1
125	1	15	GLU	CA	C	55.098	0.003	1
126	1	15	GLU	CB	C	31.652	0.000	1
127	1	15	GLU	CG	C	35.947	0.000	1
128	1	15	GLU	N	N	123.523	0.000	1
129	1	16	PRO	HA	H	4.780	0.000	1
130	1	16	PRO	C	C	175.976	0.000	1
131	1	16	PRO	CA	C	63.910	0.001	1
132	1	17	THR	H	H	8.929	0.000	1
133	1	17	THR	HA	H	4.773	0.000	1
134	1	17	THR	HB	H	3.969	0.000	1
135	1	17	THR	HG21	H	1.145	0.000	1
136	1	17	THR	HG22	H	1.145	0.000	1
137	1	17	THR	HG23	H	1.145	0.000	1
138	1	17	THR	C	C	172.640	0.000	1
139	1	17	THR	CA	C	62.791	0.002	1
140	1	17	THR	CB	C	71.520	0.000	1
141	1	17	THR	CG2	C	22.424	0.000	1
142	1	17	THR	N	N	119.156	0.003	1
143	1	18	TRP	H	H	7.848	0.000	1
144	1	18	TRP	HD1	H	5.932	0.000	1
145	1	18	TRP	HE1	H	9.741	0.000	1
146	1	18	TRP	HZ2	H	6.970	0.000	1
147	1	18	TRP	C	C	171.639	0.000	1
148	1	18	TRP	CA	C	55.605	0.000	1
149	1	18	TRP	CB	C	32.327	0.000	1
150	1	18	TRP	CD1	C	127.797	0.000	1
151	1	18	TRP	CZ2	C	114.298	0.000	1
152	1	18	TRP	N	N	121.501	0.000	1
153	1	18	TRP	NE1	N	130.322	0.000	1
154	1	19	VAL	H	H	8.443	0.000	1
155	1	19	VAL	HA	H	5.224	0.000	1
156	1	19	VAL	HB	H	1.849	0.000	1
157	1	19	VAL	HG11	H	0.076	0.000	2
158	1	19	VAL	HG12	H	0.076	0.000	2
159	1	19	VAL	HG13	H	0.076	0.000	2
160	1	19	VAL	HG21	H	0.443	0.000	2
161	1	19	VAL	HG22	H	0.443	0.000	2
162	1	19	VAL	HG23	H	0.443	0.000	2
163	1	19	VAL	CA	C	58.356	0.001	1
164	1	19	VAL	CB	C	35.602	0.003	1
165	1	19	VAL	CG1	C	18.227	0.001	1
166	1	19	VAL	CG2	C	23.555	0.000	1
167	1	19	VAL	N	N	116.677	0.000	1
168	1	21	LEU	HA	H	4.308	0.002	1
169	1	21	LEU	HB2	H	-1.285	0.000	2
170	1	21	LEU	HB3	H	-1.285	0.000	2
171	1	21	LEU	HG	H	0.635	0.001	1
172	1	21	LEU	HD11	H	-0.075	0.000	2
173	1	21	LEU	HD12	H	-0.075	0.000	2
174	1	21	LEU	HD13	H	-0.075	0.000	2
175	1	21	LEU	HD21	H	0.346	0.000	2
176	1	21	LEU	HD22	H	0.346	0.000	2
177	1	21	LEU	HD23	H	0.346	0.000	2
178	1	21	LEU	C	C	174.367	0.000	1
179	1	21	LEU	CA	C	53.082	0.005	1
180	1	21	LEU	CB	C	42.893	0.001	1
181	1	21	LEU	CG	C	26.872	0.002	1
182	1	21	LEU	CD1	C	22.221	0.000	1
183	1	21	LEU	CD2	C	25.631	0.000	1
184	1	22	LEU	H	H	7.447	0.000	1
185	1	22	LEU	HA	H	4.858	0.000	1
186	1	22	LEU	HB2	H	0.880	0.001	2
187	1	22	LEU	HB3	H	1.801	0.001	2
188	1	22	LEU	HG	H	1.660	0.000	1
189	1	22	LEU	HD11	H	0.669	0.002	2
190	1	22	LEU	HD12	H	0.669	0.002	2
191	1	22	LEU	HD13	H	0.669	0.002	2
192	1	22	LEU	HD21	H	0.880	0.001	2
193	1	22	LEU	HD22	H	0.880	0.001	2
194	1	22	LEU	HD23	H	0.880	0.001	2
195	1	22	LEU	C	C	175.687	0.001	1
196	1	22	LEU	CA	C	52.851	0.000	1
197	1	22	LEU	CB	C	43.273	0.005	1
198	1	22	LEU	CG	C	26.129	0.000	1
199	1	22	LEU	CD1	C	22.926	0.004	1
200	1	22	LEU	CD2	C	25.653	0.000	1
201	1	22	LEU	N	N	125.348	0.000	1
202	1	23	THR	H	H	8.496	0.000	1
203	1	23	THR	HA	H	5.228	0.000	1
204	1	23	THR	HB	H	3.781	0.000	1
205	1	23	THR	HG21	H	0.974	0.000	1
206	1	23	THR	HG22	H	0.974	0.000	1
207	1	23	THR	HG23	H	0.974	0.000	1
208	1	23	THR	C	C	172.273	0.000	1
209	1	23	THR	CA	C	55.787	0.000	1
210	1	23	THR	CB	C	70.036	0.000	1
211	1	23	THR	CG2	C	19.176	0.003	1
212	1	23	THR	N	N	117.617	0.000	1
213	1	24	PRO	HA	H	4.804	0.000	1
214	1	24	PRO	HB2	H	2.362	0.000	1
215	1	24	PRO	HB3	H	2.088	0.002	1
216	1	24	PRO	HG2	H	2.056	0.005	2
217	1	24	PRO	HG3	H	2.056	0.005	2
218	1	24	PRO	HD2	H	4.112	0.000	2
219	1	24	PRO	HD3	H	3.695	0.002	2
220	1	24	PRO	C	C	175.670	0.002	1
221	1	24	PRO	CA	C	64.062	0.000	1
222	1	24	PRO	CB	C	32.306	0.001	1
223	1	24	PRO	CG	C	26.973	0.007	1
224	1	24	PRO	CD	C	52.401	0.004	1
225	1	25	ASP	H	H	7.967	0.001	1
226	1	25	ASP	HA	H	4.858	0.000	1
227	1	25	ASP	HB2	H	2.337	0.001	2
228	1	25	ASP	HB3	H	2.864	0.000	2
229	1	25	ASP	C	C	175.161	0.000	1
230	1	25	ASP	CA	C	52.405	0.000	1
231	1	25	ASP	CB	C	40.881	0.001	1
232	1	25	ASP	N	N	118.504	0.000	1
233	1	26	ARG	H	H	9.060	0.001	1
234	1	26	ARG	HA	H	3.634	0.001	1
235	1	26	ARG	HB2	H	1.827	0.001	2
236	1	26	ARG	HB3	H	1.827	0.001	2
237	1	26	ARG	HG2	H	1.293	0.000	2
238	1	26	ARG	HG3	H	1.449	0.000	2
239	1	26	ARG	HD2	H	2.964	0.002	2
240	1	26	ARG	HD3	H	3.167	0.002	2
241	1	26	ARG	HE	H	7.442	0.001	1
242	1	26	ARG	C	C	177.473	0.009	1
243	1	26	ARG	CA	C	59.985	0.000	1
244	1	26	ARG	CB	C	30.936	0.000	1
245	1	26	ARG	CG	C	26.509	0.003	1
246	1	26	ARG	CD	C	44.357	0.006	1
247	1	26	ARG	CZ	C	173.631	0.000	1
248	1	26	ARG	N	N	127.949	0.001	1
249	1	26	ARG	NE	N	81.684	0.002	1
250	1	27	GLY	H	H	8.861	0.000	1
251	1	27	GLY	HA2	H	3.656	0.000	1
252	1	27	GLY	HA3	H	3.939	0.000	1
253	1	27	GLY	C	C	176.698	0.002	1
254	1	27	GLY	CA	C	47.565	0.001	1
255	1	27	GLY	N	N	106.398	0.000	1
256	1	28	ALA	H	H	7.798	0.000	1
257	1	28	ALA	HA	H	4.164	0.000	1
258	1	28	ALA	HB1	H	1.340	0.000	1
259	1	28	ALA	HB2	H	1.340	0.000	1
260	1	28	ALA	HB3	H	1.340	0.000	1
261	1	28	ALA	C	C	181.163	0.008	1
262	1	28	ALA	CA	C	54.373	0.001	1
263	1	28	ALA	CB	C	18.576	0.007	1
264	1	28	ALA	N	N	124.026	0.001	1
265	1	29	ALA	H	H	7.909	0.000	1
266	1	29	ALA	HA	H	4.312	0.000	1
267	1	29	ALA	HB1	H	1.657	0.000	1
268	1	29	ALA	HB2	H	1.657	0.000	1
269	1	29	ALA	HB3	H	1.657	0.000	1
270	1	29	ALA	C	C	179.154	0.000	1
271	1	29	ALA	CA	C	55.430	0.008	1
272	1	29	ALA	CB	C	18.399	0.000	1
273	1	29	ALA	N	N	122.818	0.000	1
274	1	30	LEU	H	H	8.732	0.000	1
275	1	30	LEU	HA	H	3.785	0.000	1
276	1	30	LEU	HB2	H	0.727	0.000	2
277	1	30	LEU	HB3	H	1.626	0.000	2
278	1	30	LEU	HG	H	1.525	0.002	1
279	1	30	LEU	HD11	H	0.189	0.000	2
280	1	30	LEU	HD12	H	0.189	0.000	2
281	1	30	LEU	HD13	H	0.189	0.000	2
282	1	30	LEU	HD21	H	0.502	0.001	2
283	1	30	LEU	HD22	H	0.502	0.001	2
284	1	30	LEU	HD23	H	0.502	0.001	2
285	1	30	LEU	C	C	179.824	0.001	1
286	1	30	LEU	CA	C	58.492	0.001	1
287	1	30	LEU	CB	C	40.183	0.000	1
288	1	30	LEU	CG	C	26.592	0.002	1
289	1	30	LEU	CD1	C	23.041	0.001	1
290	1	30	LEU	CD2	C	25.298	0.003	1
291	1	30	LEU	N	N	117.931	0.000	1
292	1	31	GLN	H	H	7.491	0.001	1
293	1	31	GLN	HA	H	4.030	0.000	1
294	1	31	GLN	HB2	H	2.205	0.000	2
295	1	31	GLN	HB3	H	2.205	0.000	2
296	1	31	GLN	HG2	H	2.562	0.000	1
297	1	31	GLN	HG3	H	2.486	0.000	1
298	1	31	GLN	HE21	H	6.878	0.000	2
299	1	31	GLN	HE22	H	7.510	0.000	2
300	1	31	GLN	C	C	177.852	0.003	1
301	1	31	GLN	CA	C	59.235	0.002	1
302	1	31	GLN	CB	C	28.610	0.003	1
303	1	31	GLN	CG	C	33.845	0.000	1
304	1	31	GLN	N	N	116.540	0.000	1
305	1	31	GLN	NE2	N	111.988	0.002	1
306	1	32	PHE	H	H	7.753	0.000	1
307	1	32	PHE	HA	H	4.150	0.000	1
308	1	32	PHE	HB2	H	3.176	0.000	1
309	1	32	PHE	HB3	H	2.914	0.001	1
310	1	32	PHE	HD1	H	6.307	0.002	1
311	1	32	PHE	HD2	H	6.307	0.002	1
312	1	32	PHE	HE1	H	7.022	0.001	1
313	1	32	PHE	HE2	H	7.022	0.001	1
314	1	32	PHE	HZ	H	7.412	0.000	1
315	1	32	PHE	C	C	175.608	0.002	1
316	1	32	PHE	CA	C	61.589	0.002	1
317	1	32	PHE	CB	C	39.067	0.001	1
318	1	32	PHE	CD1	C	132.519	0.000	1
319	1	32	PHE	CD2	C	132.519	0.000	1
320	1	32	PHE	CE1	C	130.957	0.000	1
321	1	32	PHE	CE2	C	130.957	0.002	1
322	1	32	PHE	CZ	C	131.684	0.000	1
323	1	32	PHE	N	N	121.080	0.000	1
324	1	33	TYR	H	H	8.659	0.000	1
325	1	33	TYR	HA	H	3.238	0.001	1
326	1	33	TYR	HB2	H	2.541	0.001	1
327	1	33	TYR	HB3	H	2.700	0.000	1
328	1	33	TYR	HD1	H	6.755	0.000	1
329	1	33	TYR	HD2	H	6.755	0.000	1
330	1	33	TYR	HE1	H	6.755	0.000	1
331	1	33	TYR	HE2	H	6.755	0.000	1
332	1	33	TYR	HH	H	12.211	0.001	1
333	1	33	TYR	C	C	179.157	0.000	1
334	1	33	TYR	CA	C	63.345	0.001	1
335	1	33	TYR	CB	C	39.307	0.001	1
336	1	33	TYR	CD1	C	132.794	0.000	1
337	1	33	TYR	CD2	C	132.794	0.000	1
338	1	33	TYR	CE1	C	118.382	0.002	1
339	1	33	TYR	CE2	C	118.382	0.000	1
340	1	33	TYR	N	N	115.537	0.001	1
341	1	34	SER	H	H	8.333	0.000	1
342	1	34	SER	HA	H	4.164	0.001	1
343	1	34	SER	HB2	H	4.293	0.000	1
344	1	34	SER	HB3	H	4.226	0.000	1
345	1	34	SER	C	C	177.581	0.000	1
346	1	34	SER	CA	C	61.765	0.001	1
347	1	34	SER	CB	C	63.350	0.000	1
348	1	34	SER	N	N	113.044	0.000	1
349	1	35	ALA	H	H	7.440	0.000	1
350	1	35	ALA	HA	H	4.007	0.001	1
351	1	35	ALA	HB1	H	1.386	0.003	1
352	1	35	ALA	HB2	H	1.386	0.003	1
353	1	35	ALA	HB3	H	1.386	0.003	1
354	1	35	ALA	C	C	179.505	0.002	1
355	1	35	ALA	CA	C	54.804	0.003	1
356	1	35	ALA	CB	C	18.507	0.005	1
357	1	35	ALA	N	N	124.317	0.000	1
358	1	36	LEU	H	H	7.433	0.000	1
359	1	36	LEU	HA	H	3.594	0.000	1
360	1	36	LEU	HB2	H	0.232	0.000	1
361	1	36	LEU	HB3	H	0.142	0.000	1
362	1	36	LEU	HG	H	0.236	0.000	1
363	1	36	LEU	HD11	H	0.367	0.000	2
364	1	36	LEU	HD12	H	0.367	0.000	2
365	1	36	LEU	HD13	H	0.367	0.000	2
366	1	36	LEU	HD21	H	0.095	0.000	2
367	1	36	LEU	HD22	H	0.095	0.000	2
368	1	36	LEU	HD23	H	0.095	0.000	2
369	1	36	LEU	C	C	177.754	0.003	1
370	1	36	LEU	CA	C	56.767	0.003	1
371	1	36	LEU	CB	C	42.418	0.004	1
372	1	36	LEU	CG	C	25.840	0.000	1
373	1	36	LEU	CD1	C	23.608	0.000	1
374	1	36	LEU	CD2	C	26.027	0.003	1
375	1	36	LEU	N	N	116.809	0.002	1
376	1	37	PHE	H	H	7.546	0.000	1
377	1	37	PHE	HA	H	4.792	0.000	1
378	1	37	PHE	HB2	H	1.226	0.004	1
379	1	37	PHE	HB3	H	2.849	0.001	1
380	1	37	PHE	HD1	H	6.211	0.003	1
381	1	37	PHE	HD2	H	6.211	0.003	1
382	1	37	PHE	HE1	H	6.514	0.002	1
383	1	37	PHE	HE2	H	6.514	0.002	1
384	1	37	PHE	HZ	H	6.940	0.004	1
385	1	37	PHE	C	C	176.848	0.000	1
386	1	37	PHE	CA	C	55.879	0.000	1
387	1	37	PHE	CB	C	41.355	0.001	1
388	1	37	PHE	CD1	C	130.786	0.000	1
389	1	37	PHE	CD2	C	130.786	0.002	1
390	1	37	PHE	CE1	C	129.659	0.000	1
391	1	37	PHE	CE2	C	129.659	0.000	1
392	1	37	PHE	CZ	C	129.660	0.000	1
393	1	37	PHE	N	N	111.786	0.004	1
394	1	38	GLY	H	H	7.987	0.000	1
395	1	38	GLY	HA2	H	4.106	0.000	1
396	1	38	GLY	HA3	H	3.946	0.002	1
397	1	38	GLY	C	C	174.504	0.003	1
398	1	38	GLY	CA	C	45.825	0.000	1
399	1	38	GLY	N	N	107.445	0.000	1
400	1	39	TRP	H	H	6.361	0.001	1
401	1	39	TRP	HA	H	4.915	0.000	1
402	1	39	TRP	HB2	H	2.908	0.000	1
403	1	39	TRP	HB3	H	2.990	0.000	1
404	1	39	TRP	HD1	H	6.805	0.001	1
405	1	39	TRP	HE1	H	10.473	0.000	1
406	1	39	TRP	HZ2	H	6.081	0.000	1
407	1	39	TRP	HZ3	H	6.437	0.000	1
408	1	39	TRP	HH2	H	5.966	0.000	1
409	1	39	TRP	C	C	174.670	0.000	1
410	1	39	TRP	CA	C	55.455	0.000	1
411	1	39	TRP	CB	C	30.593	0.000	1
412	1	39	TRP	CD1	C	122.928	0.000	1
413	1	39	TRP	CZ2	C	115.868	0.002	1
414	1	39	TRP	CZ3	C	122.735	0.000	1
415	1	39	TRP	CH2	C	125.037	0.000	1
416	1	39	TRP	N	N	116.929	0.002	1
417	1	39	TRP	NE1	N	129.327	0.000	1
418	1	40	GLU	H	H	9.472	0.000	1
419	1	40	GLU	HA	H	4.516	0.000	1
420	1	40	GLU	HB2	H	1.915	0.000	2
421	1	40	GLU	HB3	H	2.006	0.000	2
422	1	40	GLU	HG2	H	2.221	0.003	2
423	1	40	GLU	HG3	H	2.421	0.000	2
424	1	40	GLU	C	C	175.916	0.001	1
425	1	40	GLU	CA	C	54.623	0.001	1
426	1	40	GLU	CB	C	32.463	0.008	1
427	1	40	GLU	CG	C	36.505	0.004	1
428	1	40	GLU	N	N	120.581	0.000	1
429	1	41	PHE	H	H	8.218	0.000	1
430	1	41	PHE	HA	H	5.420	0.000	1
431	1	41	PHE	HB2	H	2.959	0.000	2
432	1	41	PHE	HB3	H	3.336	0.000	2
433	1	41	PHE	HD1	H	7.164	0.000	1
434	1	41	PHE	HD2	H	7.164	0.000	1
435	1	41	PHE	HE1	H	7.130	0.000	1
436	1	41	PHE	HE2	H	7.130	0.000	1
437	1	41	PHE	HZ	H	7.055	0.000	1
438	1	41	PHE	C	C	175.066	0.003	1
439	1	41	PHE	CA	C	55.914	0.001	1
440	1	41	PHE	CB	C	41.791	0.000	1
441	1	41	PHE	CD1	C	132.483	0.003	1
442	1	41	PHE	CD2	C	132.483	0.000	1
443	1	41	PHE	CE1	C	129.456	0.000	1
444	1	41	PHE	CE2	C	129.456	0.000	1
445	1	41	PHE	CZ	C	130.619	0.000	1
446	1	41	PHE	N	N	118.759	0.000	1
447	1	42	SER	H	H	9.047	0.000	1
448	1	42	SER	HA	H	4.777	0.000	1
449	1	42	SER	HB2	H	3.914	0.000	2
450	1	42	SER	HB3	H	3.914	0.000	2
451	1	42	SER	C	C	174.499	0.008	1
452	1	42	SER	CA	C	57.461	0.002	1
453	1	42	SER	CB	C	64.595	0.003	1
454	1	42	SER	N	N	116.366	0.004	1
455	1	43	THR	H	H	8.744	0.000	1
456	1	43	THR	HA	H	4.657	0.000	1
457	1	43	THR	HB	H	4.337	0.000	1
458	1	43	THR	HG21	H	1.286	0.000	1
459	1	43	THR	HG22	H	1.286	0.000	1
460	1	43	THR	HG23	H	1.286	0.000	1
461	1	43	THR	C	C	174.903	0.000	1
462	1	43	THR	CA	C	62.255	0.000	1
463	1	43	THR	CB	C	69.723	0.001	1
464	1	43	THR	CG2	C	21.873	0.000	1
465	1	43	THR	N	N	118.142	0.000	1
466	1	44	THR	H	H	8.388	0.001	1
467	1	44	THR	HA	H	4.492	0.002	1
468	1	44	THR	HB	H	4.181	0.000	1
469	1	44	THR	HG21	H	1.157	0.000	1
470	1	44	THR	HG22	H	1.157	0.000	1
471	1	44	THR	HG23	H	1.157	0.000	1
472	1	44	THR	C	C	174.542	0.000	1
473	1	44	THR	CA	C	61.400	0.002	1
474	1	44	THR	CB	C	69.756	0.000	1
475	1	44	THR	CG2	C	21.450	0.000	1
476	1	44	THR	N	N	117.195	0.007	1
477	1	45	SER	H	H	8.509	0.000	1
478	1	45	SER	HA	H	4.575	0.000	1
479	1	45	SER	HB2	H	3.856	0.000	2
480	1	45	SER	HB3	H	3.950	0.000	2
481	1	45	SER	C	C	174.418	0.000	1
482	1	45	SER	CA	C	58.427	0.002	1
483	1	45	SER	CB	C	63.929	0.000	1
484	1	45	SER	N	N	117.844	0.000	1
485	1	46	ASP	H	H	8.310	0.000	1
486	1	46	ASP	HA	H	4.685	0.000	1
487	1	46	ASP	HB2	H	2.831	0.000	2
488	1	46	ASP	HB3	H	2.735	0.000	2
489	1	46	ASP	C	C	176.811	0.000	1
490	1	46	ASP	CA	C	54.136	0.000	1
491	1	46	ASP	CB	C	41.109	0.002	1
492	1	46	ASP	N	N	121.995	0.000	1
493	1	47	GLY	H	H	8.377	0.000	1
494	1	47	GLY	HA2	H	3.924	0.000	2
495	1	47	GLY	HA3	H	4.118	0.000	2
496	1	47	GLY	C	C	174.904	0.007	1
497	1	47	GLY	CA	C	45.686	0.000	1
498	1	47	GLY	N	N	109.282	0.000	1
499	1	48	THR	H	H	8.290	0.000	1
500	1	48	THR	HA	H	4.336	0.000	1
501	1	48	THR	HB	H	4.296	0.001	1
502	1	48	THR	HG21	H	1.187	0.000	1
503	1	48	THR	HG22	H	1.187	0.000	1
504	1	48	THR	HG23	H	1.187	0.000	1
505	1	48	THR	C	C	174.854	0.003	1
506	1	48	THR	CA	C	62.660	0.002	1
507	1	48	THR	CB	C	69.772	0.000	1
508	1	48	THR	CG2	C	21.546	0.000	1
509	1	48	THR	N	N	112.898	0.001	1
510	1	49	SER	H	H	8.230	0.001	1
511	1	49	SER	HA	H	4.875	0.000	1
512	1	49	SER	HB2	H	3.862	0.000	2
513	1	49	SER	HB3	H	3.862	0.000	2
514	1	49	SER	C	C	173.720	0.000	1
515	1	49	SER	CA	C	55.875	0.006	1
516	1	49	SER	CB	C	64.126	0.000	1
517	1	49	SER	N	N	118.015	0.002	1
518	1	50	PRO	HA	H	4.625	0.001	1
519	1	50	PRO	HB2	H	1.967	0.003	2
520	1	50	PRO	HB3	H	2.176	0.000	2
521	1	50	PRO	HG2	H	2.008	0.001	2
522	1	50	PRO	HG3	H	2.008	0.001	2
523	1	50	PRO	HD2	H	3.745	0.001	2
524	1	50	PRO	HD3	H	3.745	0.001	2
525	1	50	PRO	C	C	175.004	0.000	1
526	1	50	PRO	CA	C	63.556	0.002	1
527	1	50	PRO	CB	C	31.736	0.001	1
528	1	50	PRO	CG	C	26.911	0.000	1
529	1	50	PRO	CD	C	50.756	0.003	1
530	1	51	TYR	H	H	7.651	0.000	1
531	1	51	TYR	HA	H	4.914	0.000	1
532	1	51	TYR	HB2	H	2.937	0.001	2
533	1	51	TYR	HB3	H	2.806	0.002	2
534	1	51	TYR	HD1	H	6.913	0.001	1
535	1	51	TYR	HD2	H	6.913	0.001	1
536	1	51	TYR	HE1	H	6.744	0.002	1
537	1	51	TYR	HE2	H	6.744	0.002	1
538	1	51	TYR	C	C	174.617	0.000	1
539	1	51	TYR	CA	C	56.442	0.001	1
540	1	51	TYR	CB	C	41.015	0.000	1
541	1	51	TYR	CD1	C	133.261	0.000	1
542	1	51	TYR	CD2	C	133.261	0.001	1
543	1	51	TYR	CE1	C	118.233	0.000	1
544	1	51	TYR	CE2	C	118.233	0.003	1
545	1	51	TYR	N	N	115.379	0.000	1
546	1	52	THR	H	H	9.478	0.000	1
547	1	52	THR	HA	H	4.599	0.002	1
548	1	52	THR	HB	H	3.945	0.000	1
549	1	52	THR	HG21	H	1.387	0.000	1
550	1	52	THR	HG22	H	1.387	0.000	1
551	1	52	THR	HG23	H	1.387	0.000	1
552	1	52	THR	C	C	173.745	0.001	1
553	1	52	THR	CA	C	62.751	0.002	1
554	1	52	THR	CB	C	71.486	0.005	1
555	1	52	THR	CG2	C	23.398	0.004	1
556	1	52	THR	N	N	119.650	0.000	1
557	1	53	MET	H	H	9.043	0.000	1
558	1	53	MET	HA	H	4.970	0.000	1
559	1	53	MET	HB2	H	2.091	0.000	2
560	1	53	MET	HB3	H	2.173	0.000	2
561	1	53	MET	HG2	H	2.570	0.000	2
562	1	53	MET	HG3	H	2.756	0.006	2
563	1	53	MET	C	C	175.654	0.005	1
564	1	53	MET	CA	C	54.532	0.000	1
565	1	53	MET	CB	C	32.303	0.006	1
566	1	53	MET	CG	C	32.380	0.004	1
567	1	53	MET	N	N	127.214	0.001	1
568	1	54	CYS	H	H	8.763	0.000	1
569	1	54	CYS	HA	H	5.273	0.000	1
570	1	54	CYS	HB2	H	2.094	0.000	2
571	1	54	CYS	HB3	H	2.768	0.001	2
572	1	54	CYS	C	C	174.316	0.000	1
573	1	54	CYS	CA	C	57.771	0.000	1
574	1	54	CYS	CB	C	29.613	0.001	1
575	1	54	CYS	N	N	123.924	0.000	1
576	1	55	ARG	H	H	9.464	0.000	1
577	1	55	ARG	HA	H	5.180	0.002	1
578	1	55	ARG	HB2	H	1.562	0.000	1
579	1	55	ARG	HB3	H	1.460	0.000	1
580	1	55	ARG	HG2	H	1.242	0.000	2
581	1	55	ARG	HG3	H	1.461	0.000	2
582	1	55	ARG	HD2	H	3.005	0.001	1
583	1	55	ARG	HD3	H	3.063	0.000	1
584	1	55	ARG	HE	H	7.566	0.000	1
585	1	55	ARG	C	C	174.070	0.000	1
586	1	55	ARG	CA	C	54.706	0.003	1
587	1	55	ARG	CB	C	35.186	0.004	1
588	1	55	ARG	CG	C	28.478	0.001	1
589	1	55	ARG	CD	C	43.245	0.005	1
590	1	55	ARG	N	N	123.351	0.000	1
591	1	55	ARG	NE	N	84.497	0.001	1
592	1	56	LEU	H	H	8.819	0.000	1
593	1	56	LEU	HA	H	4.698	0.000	1
594	1	56	LEU	HB2	H	1.406	0.001	1
595	1	56	LEU	HB3	H	1.638	0.000	1
596	1	56	LEU	HG	H	1.365	0.000	1
597	1	56	LEU	HD11	H	1.180	0.001	2
598	1	56	LEU	HD12	H	1.180	0.001	2
599	1	56	LEU	HD13	H	1.180	0.001	2
600	1	56	LEU	HD21	H	1.073	0.000	2
601	1	56	LEU	HD22	H	1.073	0.000	2
602	1	56	LEU	HD23	H	1.073	0.000	2
603	1	56	LEU	C	C	176.328	0.000	1
604	1	56	LEU	CA	C	54.564	0.000	1
605	1	56	LEU	CB	C	45.824	0.001	1
606	1	56	LEU	CG	C	27.592	0.003	1
607	1	56	LEU	CD1	C	23.049	0.000	1
608	1	56	LEU	CD2	C	26.182	0.007	1
609	1	56	LEU	N	N	120.564	0.000	1
610	1	57	ARG	H	H	9.802	0.001	1
611	1	57	ARG	HA	H	3.899	0.000	1
612	1	57	ARG	HB2	H	1.923	0.000	2
613	1	57	ARG	HB3	H	1.923	0.000	2
614	1	57	ARG	C	C	176.573	0.000	1
615	1	57	ARG	CA	C	57.674	0.005	1
616	1	57	ARG	CB	C	28.496	0.000	1
617	1	57	ARG	N	N	126.961	0.001	1
618	1	58	GLY	H	H	8.892	0.000	1
619	1	58	GLY	HA2	H	3.601	0.001	2
620	1	58	GLY	HA3	H	4.175	0.000	2
621	1	58	GLY	C	C	174.075	0.003	1
622	1	58	GLY	CA	C	45.429	0.001	1
623	1	58	GLY	N	N	103.290	0.000	1
624	1	59	ARG	H	H	7.790	0.000	1
625	1	59	ARG	HA	H	4.726	0.000	1
626	1	59	ARG	HB2	H	1.889	0.000	1
627	1	59	ARG	HB3	H	1.621	0.000	1
628	1	59	ARG	HG2	H	1.695	0.000	1
629	1	59	ARG	HG3	H	1.567	0.000	1
630	1	59	ARG	HD2	H	3.253	0.000	2
631	1	59	ARG	HD3	H	3.253	0.000	2
632	1	59	ARG	HE	H	7.307	0.000	1
633	1	59	ARG	C	C	175.552	0.009	1
634	1	59	ARG	CA	C	54.041	0.001	1
635	1	59	ARG	CB	C	32.631	0.000	1
636	1	59	ARG	CG	C	27.067	0.000	1
637	1	59	ARG	CD	C	43.320	0.000	1
638	1	59	ARG	N	N	120.006	0.000	1
639	1	59	ARG	NE	N	85.005	0.000	1
640	1	60	GLU	H	H	9.005	0.000	1
641	1	60	GLU	HA	H	4.284	0.000	1
642	1	60	GLU	HB2	H	2.204	0.000	2
643	1	60	GLU	HB3	H	2.204	0.000	2
644	1	60	GLU	HG2	H	2.383	0.001	2
645	1	60	GLU	HG3	H	2.383	0.001	2
646	1	60	GLU	C	C	176.180	0.000	1
647	1	60	GLU	CA	C	58.289	0.001	1
648	1	60	GLU	CB	C	29.929	0.003	1
649	1	60	GLU	CG	C	37.208	0.008	1
650	1	60	GLU	N	N	121.994	0.001	1
651	1	61	VAL	H	H	9.022	0.000	1
652	1	61	VAL	HA	H	4.111	0.002	1
653	1	61	VAL	HB	H	1.007	0.000	1
654	1	61	VAL	HG11	H	0.334	0.001	2
655	1	61	VAL	HG12	H	0.334	0.001	2
656	1	61	VAL	HG13	H	0.334	0.001	2
657	1	61	VAL	HG21	H	0.578	0.000	2
658	1	61	VAL	HG22	H	0.578	0.000	2
659	1	61	VAL	HG23	H	0.578	0.000	2
660	1	61	VAL	C	C	173.726	0.007	1
661	1	61	VAL	CA	C	63.308	0.000	1
662	1	61	VAL	CB	C	34.287	0.000	1
663	1	61	VAL	CG1	C	20.309	0.001	1
664	1	61	VAL	CG2	C	21.555	0.006	1
665	1	61	VAL	N	N	123.148	0.002	1
666	1	62	CYS	H	H	7.067	0.000	1
667	1	62	CYS	HA	H	3.389	0.000	1
668	1	62	CYS	HB2	H	2.610	0.000	2
669	1	62	CYS	HB3	H	2.610	0.000	2
670	1	62	CYS	C	C	171.556	0.000	1
671	1	62	CYS	CA	C	56.116	0.001	1
672	1	62	CYS	CB	C	29.763	0.000	1
673	1	62	CYS	N	N	108.935	0.002	1
674	1	63	SER	H	H	6.932	0.000	1
675	1	63	SER	HA	H	5.521	0.000	1
676	1	63	SER	HB2	H	3.917	0.000	2
677	1	63	SER	HB3	H	4.031	0.001	2
678	1	63	SER	C	C	172.719	0.000	1
679	1	63	SER	CA	C	56.696	0.000	1
680	1	63	SER	CB	C	66.844	0.000	1
681	1	63	SER	N	N	109.875	0.005	1
682	1	64	ILE	H	H	8.679	0.000	1
683	1	64	ILE	HA	H	4.885	0.000	1
684	1	64	ILE	HB	H	1.406	0.000	1
685	1	64	ILE	HG12	H	1.612	0.000	2
686	1	64	ILE	HG13	H	1.612	0.000	2
687	1	64	ILE	HG21	H	0.712	0.001	1
688	1	64	ILE	HG22	H	0.712	0.001	1
689	1	64	ILE	HG23	H	0.712	0.001	1
690	1	64	ILE	HD11	H	0.805	0.000	1
691	1	64	ILE	HD12	H	0.805	0.000	1
692	1	64	ILE	HD13	H	0.805	0.000	1
693	1	64	ILE	C	C	174.993	0.000	1
694	1	64	ILE	CA	C	60.831	0.002	1
695	1	64	ILE	CB	C	41.057	0.001	1
696	1	64	ILE	CG1	C	27.297	0.000	1
697	1	64	ILE	CG2	C	17.523	0.004	1
698	1	64	ILE	CD1	C	13.624	0.002	1
699	1	64	ILE	N	N	119.868	0.001	1
700	1	65	GLY	H	H	9.504	0.001	1
701	1	65	GLY	HA2	H	4.926	0.000	2
702	1	65	GLY	HA3	H	3.511	0.000	2
703	1	65	GLY	C	C	172.177	0.000	1
704	1	65	GLY	CA	C	43.987	0.003	1
705	1	65	GLY	N	N	115.153	0.001	1
706	1	66	ASP	H	H	8.204	0.000	1
707	1	66	ASP	HA	H	4.975	0.000	1
708	1	66	ASP	HB2	H	2.513	0.001	2
709	1	66	ASP	HB3	H	2.746	0.000	2
710	1	66	ASP	C	C	175.714	0.000	1
711	1	66	ASP	CA	C	54.113	0.000	1
712	1	66	ASP	CB	C	41.822	0.003	1
713	1	66	ASP	N	N	117.987	0.001	1
714	1	67	LEU	H	H	7.652	0.000	1
715	1	67	LEU	HA	H	4.102	0.001	1
716	1	67	LEU	HB2	H	0.887	0.000	1
717	1	67	LEU	HB3	H	1.496	0.000	1
718	1	67	LEU	HG	H	0.830	0.000	1
719	1	67	LEU	HD11	H	0.761	0.000	2
720	1	67	LEU	HD12	H	0.761	0.000	2
721	1	67	LEU	HD13	H	0.761	0.000	2
722	1	67	LEU	HD21	H	0.826	0.000	2
723	1	67	LEU	HD22	H	0.826	0.000	2
724	1	67	LEU	HD23	H	0.826	0.000	2
725	1	67	LEU	C	C	176.919	0.001	1
726	1	67	LEU	CA	C	55.806	0.006	1
727	1	67	LEU	CB	C	43.461	0.000	1
728	1	67	LEU	CG	C	26.126	0.002	1
729	1	67	LEU	CD1	C	24.139	0.003	1
730	1	67	LEU	CD2	C	25.945	0.000	1
731	1	67	LEU	N	N	124.388	0.000	1
732	1	68	GLY	H	H	8.513	0.000	1
733	1	68	GLY	HA2	H	3.937	0.000	2
734	1	68	GLY	HA3	H	3.937	0.000	2
735	1	68	GLY	C	C	173.585	0.000	1
736	1	68	GLY	CA	C	44.738	0.000	1
737	1	68	GLY	N	N	109.275	0.000	1
738	1	69	GLU	H	H	8.267	0.000	1
739	1	69	GLU	HA	H	4.249	0.001	1
740	1	69	GLU	HB2	H	1.886	0.000	2
741	1	69	GLU	HB3	H	2.078	0.000	2
742	1	69	GLU	HG2	H	2.219	0.000	2
743	1	69	GLU	HG3	H	2.283	0.000	2
744	1	69	GLU	C	C	176.396	0.005	1
745	1	69	GLU	CA	C	56.589	0.004	1
746	1	69	GLU	CB	C	30.438	0.004	1
747	1	69	GLU	CG	C	36.304	0.002	1
748	1	69	GLU	N	N	118.926	0.000	1
749	1	70	ASN	H	H	8.444	0.001	1
750	1	70	ASN	HA	H	4.903	0.000	1
751	1	70	ASN	HB2	H	2.651	0.000	2
752	1	70	ASN	HB3	H	2.756	0.000	2
753	1	70	ASN	HD21	H	7.617	0.000	1
754	1	70	ASN	HD22	H	6.924	0.001	1
755	1	70	ASN	C	C	172.592	0.000	1
756	1	70	ASN	CA	C	51.947	0.004	1
757	1	70	ASN	CB	C	39.219	0.000	1
758	1	70	ASN	N	N	118.361	0.000	1
759	1	70	ASN	ND2	N	114.001	0.001	1
760	1	71	PRO	HA	H	4.431	0.000	1
761	1	71	PRO	HB2	H	2.012	0.000	2
762	1	71	PRO	HB3	H	2.193	0.000	2
763	1	71	PRO	HG2	H	1.963	0.000	2
764	1	71	PRO	HG3	H	2.036	0.000	2
765	1	71	PRO	HD2	H	3.668	0.002	2
766	1	71	PRO	HD3	H	3.668	0.002	2
767	1	71	PRO	C	C	177.364	0.000	1
768	1	71	PRO	CA	C	63.502	0.000	1
769	1	71	PRO	CB	C	32.232	0.000	1
770	1	71	PRO	CG	C	27.147	0.000	1
771	1	71	PRO	CD	C	50.328	0.000	1
772	1	72	GLY	H	H	8.311	0.000	1
773	1	72	GLY	HA2	H	4.146	0.000	2
774	1	72	GLY	HA3	H	3.963	0.000	2
775	1	72	GLY	C	C	172.490	0.000	1
776	1	72	GLY	CA	C	44.950	0.008	1
777	1	72	GLY	N	N	109.788	0.000	1
778	1	73	PRO	HA	H	4.413	0.000	1
779	1	73	PRO	HB2	H	1.895	0.000	2
780	1	73	PRO	HB3	H	2.303	0.000	2
781	1	73	PRO	HG2	H	2.007	0.002	2
782	1	73	PRO	HG3	H	2.007	0.002	2
783	1	73	PRO	HD2	H	3.626	0.000	2
784	1	73	PRO	HD3	H	3.626	0.000	2
785	1	73	PRO	C	C	176.836	0.000	1
786	1	73	PRO	CA	C	63.705	0.001	1
787	1	73	PRO	CB	C	32.058	0.000	1
788	1	73	PRO	CG	C	27.115	0.007	1
789	1	73	PRO	CD	C	49.878	0.001	1
790	1	74	ALA	H	H	8.125	0.000	1
791	1	74	ALA	HA	H	4.248	0.000	1
792	1	74	ALA	HB1	H	1.353	0.000	1
793	1	74	ALA	HB2	H	1.353	0.000	1
794	1	74	ALA	HB3	H	1.353	0.000	1
795	1	74	ALA	C	C	176.562	0.002	1
796	1	74	ALA	CA	C	52.765	0.002	1
797	1	74	ALA	CB	C	19.243	0.000	1
798	1	74	ALA	N	N	121.775	0.010	1
799	1	75	LEU	H	H	7.667	0.000	1
800	1	75	LEU	HA	H	4.421	0.000	1
801	1	75	LEU	HB2	H	1.505	0.000	2
802	1	75	LEU	HB3	H	1.600	0.000	2
803	1	75	LEU	HG	H	1.568	0.000	1
804	1	75	LEU	HD11	H	0.796	0.000	2
805	1	75	LEU	HD12	H	0.796	0.000	2
806	1	75	LEU	HD13	H	0.796	0.000	2
807	1	75	LEU	HD21	H	0.892	0.000	2
808	1	75	LEU	HD22	H	0.892	0.000	2
809	1	75	LEU	HD23	H	0.892	0.000	2
810	1	75	LEU	C	C	176.836	0.001	1
811	1	75	LEU	CA	C	54.205	0.005	1
812	1	75	LEU	CB	C	43.778	0.002	1
813	1	75	LEU	CG	C	26.872	0.000	1
814	1	75	LEU	CD1	C	22.956	0.000	1
815	1	75	LEU	CD2	C	25.328	0.000	1
816	1	75	LEU	N	N	118.701	0.000	1
817	1	76	GLY	H	H	8.404	0.000	1
818	1	76	GLY	HA2	H	3.928	0.000	2
819	1	76	GLY	HA3	H	4.165	0.000	2
820	1	76	GLY	C	C	174.588	0.001	1
821	1	76	GLY	CA	C	45.204	0.000	1
822	1	76	GLY	N	N	107.704	0.000	1
823	1	77	GLY	H	H	8.481	0.000	1
824	1	77	GLY	HA2	H	3.701	0.002	2
825	1	77	GLY	HA3	H	4.631	0.000	2
826	1	77	GLY	C	C	174.456	0.000	1
827	1	77	GLY	CA	C	44.452	0.002	1
828	1	77	GLY	N	N	108.756	0.000	1
829	1	78	TRP	H	H	9.414	0.000	1
830	1	78	TRP	HA	H	5.113	0.000	1
831	1	78	TRP	HB2	H	3.037	0.000	2
832	1	78	TRP	HB3	H	3.595	0.000	2
833	1	78	TRP	HD1	H	7.543	0.002	1
834	1	78	TRP	HE1	H	9.853	0.001	1
835	1	78	TRP	HZ2	H	6.314	0.001	1
836	1	78	TRP	HH2	H	7.240	0.001	1
837	1	78	TRP	C	C	178.659	0.002	1
838	1	78	TRP	CA	C	58.331	0.006	1
839	1	78	TRP	CB	C	30.571	0.001	1
840	1	78	TRP	CD1	C	126.348	0.000	1
841	1	78	TRP	CZ2	C	114.407	0.002	1
842	1	78	TRP	CH2	C	126.070	0.000	1
843	1	78	TRP	N	N	122.197	0.000	1
844	1	78	TRP	NE1	N	127.803	0.000	1
845	1	79	SER	H	H	10.303	0.000	1
846	1	79	SER	HA	H	4.814	0.000	1
847	1	79	SER	HB2	H	3.318	0.000	2
848	1	79	SER	HB3	H	4.054	0.002	2
849	1	79	SER	C	C	172.503	0.000	1
850	1	79	SER	CA	C	58.482	0.000	1
851	1	79	SER	CB	C	64.627	0.000	1
852	1	79	SER	N	N	125.248	0.000	1
853	1	80	SER	H	H	8.099	0.000	1
854	1	80	SER	HA	H	4.822	0.000	1
855	1	80	SER	HB2	H	3.399	0.000	2
856	1	80	SER	HB3	H	4.076	0.000	2
857	1	80	SER	C	C	171.341	0.000	1
858	1	80	SER	CA	C	58.607	0.000	1
859	1	80	SER	CB	C	64.721	0.000	1
860	1	80	SER	N	N	118.894	0.000	1
861	1	81	TYR	H	H	8.460	0.000	1
862	1	81	TYR	HA	H	4.796	0.000	1
863	1	81	TYR	HB2	H	2.749	0.000	2
864	1	81	TYR	HB3	H	2.497	0.001	2
865	1	81	TYR	HD1	H	6.756	0.000	1
866	1	81	TYR	HD2	H	6.756	0.000	1
867	1	81	TYR	HE1	H	6.743	0.000	1
868	1	81	TYR	HE2	H	6.743	0.000	1
869	1	81	TYR	C	C	174.506	0.000	1
870	1	81	TYR	CA	C	56.111	0.000	1
871	1	81	TYR	CB	C	39.256	0.000	1
872	1	81	TYR	CD1	C	132.864	0.001	1
873	1	81	TYR	CD2	C	132.864	0.000	1
874	1	81	TYR	CE1	C	118.234	0.000	1
875	1	81	TYR	CE2	C	118.234	0.000	1
876	1	81	TYR	N	N	119.645	0.003	1
877	1	82	LEU	H	H	8.896	0.000	1
878	1	82	LEU	HA	H	4.848	0.000	1
879	1	82	LEU	HB2	H	1.665	0.000	2
880	1	82	LEU	HB3	H	1.722	0.000	2
881	1	82	LEU	HG	H	1.217	0.001	1
882	1	82	LEU	HD11	H	0.296	0.000	2
883	1	82	LEU	HD12	H	0.296	0.000	2
884	1	82	LEU	HD13	H	0.296	0.000	2
885	1	82	LEU	HD21	H	0.392	0.000	2
886	1	82	LEU	HD22	H	0.392	0.000	2
887	1	82	LEU	HD23	H	0.392	0.000	2
888	1	82	LEU	C	C	176.980	0.000	1
889	1	82	LEU	CA	C	52.469	0.000	1
890	1	82	LEU	CB	C	42.609	0.002	1
891	1	82	LEU	CG	C	27.521	0.002	1
892	1	82	LEU	CD1	C	21.560	0.005	1
893	1	82	LEU	CD2	C	25.340	0.002	1
894	1	82	LEU	N	N	125.236	0.000	1
895	1	83	SER	H	H	8.443	0.000	1
896	1	83	SER	HA	H	5.094	0.000	1
897	1	83	SER	HB2	H	3.920	0.000	2
898	1	83	SER	HB3	H	4.124	0.000	2
899	1	83	SER	C	C	175.169	0.000	1
900	1	83	SER	CA	C	59.415	0.005	1
901	1	83	SER	CB	C	63.758	0.001	1
902	1	83	SER	N	N	116.740	0.000	1
903	1	84	VAL	H	H	8.271	0.003	1
904	1	84	VAL	HA	H	4.849	0.000	1
905	1	84	VAL	HB	H	2.123	0.000	1
906	1	84	VAL	HG11	H	0.669	0.001	1
907	1	84	VAL	HG12	H	0.669	0.001	1
908	1	84	VAL	HG13	H	0.669	0.001	1
909	1	84	VAL	HG21	H	1.099	0.001	1
910	1	84	VAL	HG22	H	1.099	0.001	1
911	1	84	VAL	HG23	H	1.099	0.001	1
912	1	84	VAL	C	C	175.172	0.000	1
913	1	84	VAL	CA	C	59.225	0.001	1
914	1	84	VAL	CB	C	35.884	0.000	1
915	1	84	VAL	CG1	C	18.432	0.002	1
916	1	84	VAL	CG2	C	24.126	0.004	1
917	1	84	VAL	N	N	116.318	0.000	1
918	1	85	ASP	H	H	8.875	0.000	1
919	1	85	ASP	HA	H	4.629	0.000	1
920	1	85	ASP	HB2	H	2.573	0.000	2
921	1	85	ASP	HB3	H	2.671	0.000	2
922	1	85	ASP	C	C	177.231	0.009	1
923	1	85	ASP	CA	C	56.170	0.000	1
924	1	85	ASP	CB	C	40.734	0.001	1
925	1	85	ASP	N	N	121.312	0.000	1
926	1	86	ASP	H	H	7.288	0.000	1
927	1	86	ASP	HA	H	4.573	0.000	1
928	1	86	ASP	HB2	H	2.438	0.000	1
929	1	86	ASP	HB3	H	2.725	0.000	1
930	1	86	ASP	C	C	176.214	0.003	1
931	1	86	ASP	CA	C	53.061	0.001	1
932	1	86	ASP	CB	C	42.751	0.000	1
933	1	86	ASP	N	N	116.213	0.000	1
934	1	87	ALA	H	H	9.472	0.000	1
935	1	87	ALA	HA	H	3.810	0.000	1
936	1	87	ALA	HB1	H	1.176	0.002	1
937	1	87	ALA	HB2	H	1.176	0.002	1
938	1	87	ALA	HB3	H	1.176	0.002	1
939	1	87	ALA	C	C	177.839	0.006	1
940	1	87	ALA	CA	C	55.542	0.001	1
941	1	87	ALA	CB	C	17.765	0.000	1
942	1	87	ALA	N	N	129.289	0.000	1
943	1	88	ASP	H	H	8.256	0.000	1
944	1	88	ASP	HA	H	4.325	0.000	1
945	1	88	ASP	HB2	H	2.805	0.000	1
946	1	88	ASP	HB3	H	2.539	0.000	1
947	1	88	ASP	C	C	179.282	0.001	1
948	1	88	ASP	CA	C	57.944	0.003	1
949	1	88	ASP	CB	C	39.826	0.005	1
950	1	88	ASP	N	N	118.838	0.000	1
951	1	89	ALA	H	H	8.253	0.000	1
952	1	89	ALA	HA	H	4.089	0.000	1
953	1	89	ALA	HB1	H	1.373	0.000	1
954	1	89	ALA	HB2	H	1.373	0.000	1
955	1	89	ALA	HB3	H	1.373	0.000	1
956	1	89	ALA	C	C	181.312	0.001	1
957	1	89	ALA	CA	C	54.386	0.001	1
958	1	89	ALA	CB	C	17.799	0.000	1
959	1	89	ALA	N	N	125.167	0.000	1
960	1	90	ALA	H	H	7.940	0.000	1
961	1	90	ALA	HA	H	4.008	0.000	1
962	1	90	ALA	HB1	H	1.366	0.000	1
963	1	90	ALA	HB2	H	1.366	0.000	1
964	1	90	ALA	HB3	H	1.366	0.000	1
965	1	90	ALA	C	C	178.454	0.001	1
966	1	90	ALA	CA	C	54.998	0.000	1
967	1	90	ALA	CB	C	17.858	0.000	1
968	1	90	ALA	N	N	121.434	0.000	1
969	1	91	ALA	H	H	8.237	0.000	1
970	1	91	ALA	HA	H	3.716	0.002	1
971	1	91	ALA	HB1	H	1.528	0.000	1
972	1	91	ALA	HB2	H	1.528	0.000	1
973	1	91	ALA	HB3	H	1.528	0.000	1
974	1	91	ALA	C	C	179.055	0.003	1
975	1	91	ALA	CA	C	55.001	0.000	1
976	1	91	ALA	CB	C	18.166	0.000	1
977	1	91	ALA	N	N	118.511	0.000	1
978	1	92	ALA	H	H	7.374	0.001	1
979	1	92	ALA	HA	H	4.132	0.001	1
980	1	92	ALA	HB1	H	1.437	0.000	1
981	1	92	ALA	HB2	H	1.437	0.000	1
982	1	92	ALA	HB3	H	1.437	0.000	1
983	1	92	ALA	C	C	179.058	0.000	1
984	1	92	ALA	CA	C	53.819	0.003	1
985	1	92	ALA	CB	C	18.260	0.001	1
986	1	92	ALA	N	N	117.432	0.000	1
987	1	93	ALA	H	H	7.494	0.001	1
988	1	93	ALA	HA	H	4.172	0.000	1
989	1	93	ALA	HB1	H	1.279	0.000	1
990	1	93	ALA	HB2	H	1.279	0.000	1
991	1	93	ALA	HB3	H	1.279	0.000	1
992	1	93	ALA	C	C	179.170	0.000	1
993	1	93	ALA	CA	C	53.932	0.000	1
994	1	93	ALA	CB	C	18.929	0.003	1
995	1	93	ALA	N	N	120.222	0.000	1
996	1	94	VAL	H	H	7.788	0.000	1
997	1	94	VAL	HA	H	3.523	0.000	1
998	1	94	VAL	HB	H	2.082	0.000	1
999	1	94	VAL	HG11	H	0.793	0.000	1
1000	1	94	VAL	HG12	H	0.793	0.000	1
1001	1	94	VAL	HG13	H	0.793	0.000	1
1002	1	94	VAL	HG21	H	0.926	0.001	1
1003	1	94	VAL	HG22	H	0.926	0.001	1
1004	1	94	VAL	HG23	H	0.926	0.001	1
1005	1	94	VAL	C	C	175.743	0.000	1
1006	1	94	VAL	CA	C	69.300	0.001	1
1007	1	94	VAL	CB	C	30.297	0.000	1
1008	1	94	VAL	CG1	C	22.172	0.001	1
1009	1	94	VAL	CG2	C	24.428	0.000	1
1010	1	94	VAL	N	N	115.394	0.000	1
1011	1	95	PRO	HA	H	4.669	0.000	1
1012	1	95	PRO	HB2	H	2.396	0.001	1
1013	1	95	PRO	HB3	H	1.943	0.001	1
1014	1	95	PRO	HG2	H	1.921	0.000	2
1015	1	95	PRO	HG3	H	2.158	0.000	2
1016	1	95	PRO	HD2	H	3.764	0.000	1
1017	1	95	PRO	HD3	H	3.469	0.000	1
1018	1	95	PRO	C	C	181.038	0.000	1
1019	1	95	PRO	CA	C	64.860	0.000	1
1020	1	95	PRO	CB	C	30.943	0.002	1
1021	1	95	PRO	CG	C	28.557	0.006	1
1022	1	95	PRO	CD	C	50.393	0.000	1
1023	1	96	GLU	H	H	6.960	0.000	1
1024	1	96	GLU	HA	H	4.133	0.000	1
1025	1	96	GLU	HB2	H	2.186	0.000	1
1026	1	96	GLU	HB3	H	2.152	0.000	1
1027	1	96	GLU	HG2	H	2.428	0.000	1
1028	1	96	GLU	HG3	H	2.286	0.000	1
1029	1	96	GLU	C	C	178.264	0.005	1
1030	1	96	GLU	CA	C	58.392	0.003	1
1031	1	96	GLU	CB	C	29.150	0.001	1
1032	1	96	GLU	CG	C	35.975	0.007	1
1033	1	96	GLU	N	N	118.803	0.000	1
1034	1	97	LEU	H	H	7.577	0.000	1
1035	1	97	LEU	HA	H	4.405	0.000	1
1036	1	97	LEU	HB2	H	1.798	0.001	2
1037	1	97	LEU	HB3	H	1.798	0.001	2
1038	1	97	LEU	HG	H	1.623	0.000	1
1039	1	97	LEU	HD11	H	0.364	0.000	1
1040	1	97	LEU	HD12	H	0.364	0.000	1
1041	1	97	LEU	HD13	H	0.364	0.000	1
1042	1	97	LEU	HD21	H	0.801	0.000	1
1043	1	97	LEU	HD22	H	0.801	0.000	1
1044	1	97	LEU	HD23	H	0.801	0.000	1
1045	1	97	LEU	C	C	176.933	0.005	1
1046	1	97	LEU	CA	C	54.417	0.000	1
1047	1	97	LEU	CB	C	44.039	0.000	1
1048	1	97	LEU	CG	C	25.737	0.000	1
1049	1	97	LEU	CD1	C	25.521	0.000	1
1050	1	97	LEU	CD2	C	22.626	0.000	1
1051	1	97	LEU	N	N	117.747	0.000	1
1052	1	98	GLY	H	H	7.616	0.000	1
1053	1	98	GLY	HA2	H	3.824	0.003	2
1054	1	98	GLY	HA3	H	4.395	0.002	2
1055	1	98	GLY	C	C	175.172	0.000	1
1056	1	98	GLY	CA	C	45.145	0.001	1
1057	1	98	GLY	N	N	105.108	0.001	1
1058	1	99	GLY	H	H	8.007	0.000	1
1059	1	99	GLY	HA2	H	3.437	0.002	2
1060	1	99	GLY	HA3	H	4.039	0.000	2
1061	1	99	GLY	C	C	171.412	0.000	1
1062	1	99	GLY	CA	C	43.302	0.000	1
1063	1	99	GLY	N	N	108.038	0.000	1
1064	1	100	ALA	H	H	8.525	0.001	1
1065	1	100	ALA	HA	H	4.599	0.002	1
1066	1	100	ALA	HB1	H	1.172	0.002	1
1067	1	100	ALA	HB2	H	1.172	0.002	1
1068	1	100	ALA	HB3	H	1.172	0.002	1
1069	1	100	ALA	C	C	176.384	0.010	1
1070	1	100	ALA	CA	C	50.798	0.005	1
1071	1	100	ALA	CB	C	22.287	0.007	1
1072	1	100	ALA	N	N	120.583	0.001	1
1073	1	101	VAL	H	H	9.186	0.001	1
1074	1	101	VAL	HA	H	3.975	0.004	1
1075	1	101	VAL	HB	H	2.099	0.000	1
1076	1	101	VAL	HG11	H	0.869	0.000	2
1077	1	101	VAL	HG12	H	0.869	0.000	2
1078	1	101	VAL	HG13	H	0.869	0.000	2
1079	1	101	VAL	HG21	H	0.985	0.000	2
1080	1	101	VAL	HG22	H	0.985	0.000	2
1081	1	101	VAL	HG23	H	0.985	0.000	2
1082	1	101	VAL	C	C	175.815	0.008	1
1083	1	101	VAL	CA	C	64.123	0.000	1
1084	1	101	VAL	CB	C	31.580	0.001	1
1085	1	101	VAL	CG1	C	21.755	0.003	1
1086	1	101	VAL	CG2	C	22.829	0.001	1
1087	1	101	VAL	N	N	123.043	0.002	1
1088	1	102	LEU	H	H	9.022	0.001	1
1089	1	102	LEU	HA	H	4.370	0.000	1
1090	1	102	LEU	HB2	H	1.395	0.000	2
1091	1	102	LEU	HB3	H	1.395	0.000	2
1092	1	102	LEU	HG	H	1.503	0.001	1
1093	1	102	LEU	HD11	H	0.726	0.000	2
1094	1	102	LEU	HD12	H	0.726	0.000	2
1095	1	102	LEU	HD13	H	0.726	0.000	2
1096	1	102	LEU	HD21	H	0.723	0.000	2
1097	1	102	LEU	HD22	H	0.723	0.000	2
1098	1	102	LEU	HD23	H	0.723	0.000	2
1099	1	102	LEU	C	C	177.009	0.003	1
1100	1	102	LEU	CA	C	55.591	0.001	1
1101	1	102	LEU	CB	C	42.706	0.002	1
1102	1	102	LEU	CG	C	27.370	0.006	1
1103	1	102	LEU	CD1	C	21.928	0.000	1
1104	1	102	LEU	CD2	C	25.237	0.000	1
1105	1	102	LEU	N	N	128.710	0.001	1
1106	1	103	LEU	H	H	7.641	0.000	1
1107	1	103	LEU	HA	H	4.473	0.000	1
1108	1	103	LEU	HB2	H	1.490	0.000	2
1109	1	103	LEU	HB3	H	1.654	0.000	2
1110	1	103	LEU	HG	H	1.506	0.000	1
1111	1	103	LEU	HD11	H	0.851	0.000	2
1112	1	103	LEU	HD12	H	0.851	0.000	2
1113	1	103	LEU	HD13	H	0.851	0.000	2
1114	1	103	LEU	HD21	H	0.960	0.001	2
1115	1	103	LEU	HD22	H	0.960	0.001	2
1116	1	103	LEU	HD23	H	0.960	0.001	2
1117	1	103	LEU	C	C	175.425	0.000	1
1118	1	103	LEU	CA	C	55.889	0.004	1
1119	1	103	LEU	CB	C	45.957	0.001	1
1120	1	103	LEU	CG	C	27.527	0.005	1
1121	1	103	LEU	CD1	C	25.715	0.005	1
1122	1	103	LEU	CD2	C	24.258	0.002	1
1123	1	103	LEU	N	N	118.857	0.001	1
1124	1	104	GLY	H	H	8.843	0.000	1
1125	1	104	GLY	HA2	H	4.473	0.001	2
1126	1	104	GLY	HA3	H	3.473	0.000	2
1127	1	104	GLY	C	C	170.681	0.000	1
1128	1	104	GLY	CA	C	44.121	0.001	1
1129	1	104	GLY	N	N	112.002	0.001	1
1130	1	105	PRO	HA	H	5.157	0.002	1
1131	1	105	PRO	HB2	H	1.918	0.000	2
1132	1	105	PRO	HB3	H	1.918	0.000	2
1133	1	105	PRO	HG2	H	1.641	0.000	2
1134	1	105	PRO	HG3	H	1.641	0.000	2
1135	1	105	PRO	HD2	H	3.478	0.000	2
1136	1	105	PRO	HD3	H	3.478	0.000	2
1137	1	105	PRO	C	C	175.779	0.000	1
1138	1	105	PRO	CA	C	61.979	0.004	1
1139	1	105	PRO	CB	C	34.564	0.000	1
1140	1	105	PRO	CG	C	26.230	0.000	1
1141	1	105	PRO	CD	C	50.358	0.000	1
1142	1	106	ILE	H	H	9.351	0.000	1
1143	1	106	ILE	HA	H	4.649	0.000	1
1144	1	106	ILE	HB	H	1.842	0.000	1
1145	1	106	ILE	HG12	H	1.483	0.000	2
1146	1	106	ILE	HG13	H	1.095	0.001	2
1147	1	106	ILE	HG21	H	0.939	0.002	1
1148	1	106	ILE	HG22	H	0.939	0.002	1
1149	1	106	ILE	HG23	H	0.939	0.002	1
1150	1	106	ILE	HD11	H	0.849	0.000	1
1151	1	106	ILE	HD12	H	0.849	0.000	1
1152	1	106	ILE	HD13	H	0.849	0.000	1
1153	1	106	ILE	C	C	173.932	0.001	1
1154	1	106	ILE	CA	C	59.522	0.000	1
1155	1	106	ILE	CB	C	42.592	0.008	1
1156	1	106	ILE	CG1	C	26.826	0.001	1
1157	1	106	ILE	CG2	C	17.913	0.000	1
1158	1	106	ILE	CD1	C	13.650	0.006	1
1159	1	106	ILE	N	N	120.903	0.000	1
1160	1	107	ASP	H	H	8.551	0.001	1
1161	1	107	ASP	HA	H	4.909	0.000	1
1162	1	107	ASP	HB2	H	2.532	0.000	2
1163	1	107	ASP	HB3	H	2.532	0.000	2
1164	1	107	ASP	C	C	175.503	0.000	1
1165	1	107	ASP	CA	C	54.684	0.000	1
1166	1	107	ASP	CB	C	41.559	0.003	1
1167	1	107	ASP	N	N	124.072	0.000	1
1168	1	108	ILE	H	H	8.511	0.000	1
1169	1	108	ILE	HA	H	4.252	0.004	1
1170	1	108	ILE	HB	H	1.764	0.001	1
1171	1	108	ILE	HG12	H	1.267	0.000	2
1172	1	108	ILE	HG13	H	1.124	0.000	2
1173	1	108	ILE	HG21	H	0.766	0.001	1
1174	1	108	ILE	HG22	H	0.766	0.001	1
1175	1	108	ILE	HG23	H	0.766	0.001	1
1176	1	108	ILE	HD11	H	0.604	0.000	1
1177	1	108	ILE	HD12	H	0.604	0.000	1
1178	1	108	ILE	HD13	H	0.604	0.000	1
1179	1	108	ILE	CA	C	58.778	0.003	1
1180	1	108	ILE	CB	C	37.169	0.002	1
1181	1	108	ILE	CG1	C	26.542	0.000	1
1182	1	108	ILE	CG2	C	17.272	0.008	1
1183	1	108	ILE	CD1	C	11.430	0.001	1
1184	1	108	ILE	N	N	124.131	0.000	1
1185	1	109	LEU	H	H	8.632	0.001	1
1186	1	109	LEU	HA	H	3.914	0.000	1
1187	1	109	LEU	HB2	H	1.592	0.000	2
1188	1	109	LEU	HB3	H	1.724	0.001	2
1189	1	109	LEU	HG	H	1.606	0.000	1
1190	1	109	LEU	HD11	H	0.891	0.000	2
1191	1	109	LEU	HD12	H	0.891	0.000	2
1192	1	109	LEU	HD13	H	0.891	0.000	2
1193	1	109	LEU	HD21	H	0.877	0.000	2
1194	1	109	LEU	HD22	H	0.877	0.000	2
1195	1	109	LEU	HD23	H	0.877	0.000	2
1196	1	109	LEU	CA	C	56.859	0.002	1
1197	1	109	LEU	CB	C	40.996	0.003	1
1198	1	109	LEU	CG	C	27.166	0.003	1
1199	1	109	LEU	CD1	C	23.590	0.000	1
1200	1	109	LEU	CD2	C	24.953	0.000	1
1201	1	109	LEU	N	N	126.687	0.000	1
1202	1	110	ALA	HA	H	4.289	0.000	1
1203	1	110	ALA	HB1	H	1.418	0.000	1
1204	1	110	ALA	HB2	H	1.418	0.000	1
1205	1	110	ALA	HB3	H	1.418	0.000	1
1206	1	110	ALA	CA	C	52.792	0.002	1
1207	1	110	ALA	CB	C	18.136	0.002	1
1208	1	111	GLN	H	H	8.503	0.000	1
1209	1	111	GLN	HA	H	4.405	0.001	1
1210	1	111	GLN	HB2	H	1.913	0.001	2
1211	1	111	GLN	HB3	H	1.913	0.001	2
1212	1	111	GLN	HG2	H	2.238	0.003	2
1213	1	111	GLN	HG3	H	2.327	0.002	2
1214	1	111	GLN	HE21	H	6.364	0.000	2
1215	1	111	GLN	HE22	H	7.120	0.002	2
1216	1	111	GLN	C	C	176.452	0.000	1
1217	1	111	GLN	CA	C	57.064	0.002	1
1218	1	111	GLN	CB	C	30.733	0.000	1
1219	1	111	GLN	CG	C	33.751	0.005	1
1220	1	111	GLN	N	N	116.726	0.002	1
1221	1	111	GLN	NE2	N	110.167	0.000	1
1222	1	112	GLY	H	H	7.693	0.000	1
1223	1	112	GLY	HA2	H	3.622	0.000	2
1224	1	112	GLY	HA3	H	3.720	0.002	2
1225	1	112	GLY	C	C	170.786	0.000	1
1226	1	112	GLY	CA	C	45.358	0.001	1
1227	1	112	GLY	N	N	106.359	0.002	1
1228	1	113	ARG	H	H	8.216	0.000	1
1229	1	113	ARG	HA	H	5.039	0.000	1
1230	1	113	ARG	HB2	H	1.407	0.001	2
1231	1	113	ARG	HB3	H	1.407	0.001	2
1232	1	113	ARG	HG2	H	1.095	0.003	2
1233	1	113	ARG	HG3	H	1.483	0.002	2
1234	1	113	ARG	HD2	H	2.942	0.000	2
1235	1	113	ARG	HD3	H	3.185	0.000	2
1236	1	113	ARG	HE	H	7.507	0.001	1
1237	1	113	ARG	C	C	173.477	0.001	1
1238	1	113	ARG	CA	C	54.886	0.003	1
1239	1	113	ARG	CB	C	33.362	0.004	1
1240	1	113	ARG	CG	C	27.106	0.000	1
1241	1	113	ARG	CD	C	43.440	0.000	1
1242	1	113	ARG	N	N	122.158	0.000	1
1243	1	113	ARG	NE	N	83.262	0.007	1
1244	1	114	MET	H	H	9.017	0.000	1
1245	1	114	MET	HA	H	5.667	0.001	1
1246	1	114	MET	HB2	H	1.798	0.000	2
1247	1	114	MET	HB3	H	1.992	0.000	2
1248	1	114	MET	HG2	H	2.419	0.000	2
1249	1	114	MET	HG3	H	2.419	0.000	2
1250	1	114	MET	HE1	H	1.882	0.000	1
1251	1	114	MET	HE2	H	1.882	0.000	1
1252	1	114	MET	HE3	H	1.882	0.000	1
1253	1	114	MET	C	C	174.074	0.001	1
1254	1	114	MET	CA	C	53.470	0.000	1
1255	1	114	MET	CB	C	37.093	0.006	1
1256	1	114	MET	CG	C	31.724	0.000	1
1257	1	114	MET	CE	C	17.733	0.003	1
1258	1	114	MET	N	N	122.909	0.000	1
1259	1	115	LEU	H	H	9.063	0.000	1
1260	1	115	LEU	HA	H	5.018	0.000	1
1261	1	115	LEU	HB2	H	1.509	0.000	1
1262	1	115	LEU	HB3	H	2.038	0.000	1
1263	1	115	LEU	HG	H	1.779	0.000	1
1264	1	115	LEU	HD11	H	0.855	0.000	2
1265	1	115	LEU	HD12	H	0.855	0.000	2
1266	1	115	LEU	HD13	H	0.855	0.000	2
1267	1	115	LEU	HD21	H	1.005	0.000	2
1268	1	115	LEU	HD22	H	1.005	0.000	2
1269	1	115	LEU	HD23	H	1.005	0.000	2
1270	1	115	LEU	C	C	174.116	0.000	1
1271	1	115	LEU	CA	C	55.513	0.001	1
1272	1	115	LEU	CB	C	45.397	0.004	1
1273	1	115	LEU	CG	C	26.230	0.000	1
1274	1	115	LEU	CD1	C	27.542	0.000	1
1275	1	115	LEU	CD2	C	27.744	0.005	1
1276	1	115	LEU	N	N	119.336	0.000	1
1277	1	116	LEU	H	H	8.814	0.000	1
1278	1	116	LEU	HA	H	5.261	0.001	1
1279	1	116	LEU	HB2	H	1.386	0.001	2
1280	1	116	LEU	HB3	H	1.657	0.000	2
1281	1	116	LEU	HG	H	1.670	0.001	1
1282	1	116	LEU	HD11	H	0.889	0.000	2
1283	1	116	LEU	HD12	H	0.889	0.000	2
1284	1	116	LEU	HD13	H	0.889	0.000	2
1285	1	116	LEU	HD21	H	0.885	0.000	2
1286	1	116	LEU	HD22	H	0.885	0.000	2
1287	1	116	LEU	HD23	H	0.885	0.000	2
1288	1	116	LEU	C	C	175.218	0.007	1
1289	1	116	LEU	CA	C	53.699	0.006	1
1290	1	116	LEU	CB	C	45.355	0.002	1
1291	1	116	LEU	CG	C	27.076	0.006	1
1292	1	116	LEU	CD1	C	23.833	0.001	1
1293	1	116	LEU	CD2	C	25.129	0.001	1
1294	1	116	LEU	N	N	120.700	0.000	1
1295	1	117	ALA	H	H	9.579	0.000	1
1296	1	117	ALA	HA	H	5.365	0.001	1
1297	1	117	ALA	HB1	H	1.363	0.000	1
1298	1	117	ALA	HB2	H	1.363	0.000	1
1299	1	117	ALA	HB3	H	1.363	0.000	1
1300	1	117	ALA	C	C	174.298	0.008	1
1301	1	117	ALA	CA	C	49.840	0.001	1
1302	1	117	ALA	CB	C	22.843	0.000	1
1303	1	117	ALA	N	N	127.310	0.001	1
1304	1	118	GLY	H	H	9.438	0.000	1
1305	1	118	GLY	HA2	H	3.997	0.000	2
1306	1	118	GLY	HA3	H	3.298	0.000	2
1307	1	118	GLY	C	C	173.053	0.000	1
1308	1	118	GLY	CA	C	43.269	0.007	1
1309	1	118	GLY	N	N	107.111	0.000	1
1310	1	119	ASP	H	H	8.058	0.000	1
1311	1	119	ASP	HA	H	3.158	0.002	1
1312	1	119	ASP	HB2	H	2.458	0.002	2
1313	1	119	ASP	HB3	H	2.633	0.000	2
1314	1	119	ASP	C	C	175.344	0.000	1
1315	1	119	ASP	CA	C	51.592	0.000	1
1316	1	119	ASP	CB	C	39.258	0.001	1
1317	1	119	ASP	N	N	122.511	0.000	1
1318	1	120	PRO	HA	H	4.112	0.000	1
1319	1	120	PRO	HB2	H	2.384	0.000	2
1320	1	120	PRO	HB3	H	2.384	0.000	2
1321	1	120	PRO	HG2	H	1.478	0.000	2
1322	1	120	PRO	HG3	H	1.478	0.000	2
1323	1	120	PRO	HD2	H	3.142	0.001	2
1324	1	120	PRO	HD3	H	2.153	0.001	2
1325	1	120	PRO	C	C	177.782	0.000	1
1326	1	120	PRO	CA	C	65.760	0.000	1
1327	1	120	PRO	CB	C	31.682	0.000	1
1328	1	120	PRO	CG	C	28.310	0.000	1
1329	1	120	PRO	CD	C	50.358	0.002	1
1330	1	121	SER	H	H	7.480	0.000	1
1331	1	121	SER	HA	H	4.301	0.000	1
1332	1	121	SER	HB2	H	3.460	0.000	2
1333	1	121	SER	HB3	H	3.673	0.000	2
1334	1	121	SER	C	C	173.701	0.000	1
1335	1	121	SER	CA	C	58.916	0.000	1
1336	1	121	SER	CB	C	63.034	0.001	1
1337	1	121	SER	N	N	111.956	0.000	1
1338	1	122	GLY	H	H	8.261	0.000	1
1339	1	122	GLY	HA2	H	4.044	0.000	2
1340	1	122	GLY	HA3	H	3.418	0.000	2
1341	1	122	GLY	C	C	175.197	0.000	1
1342	1	122	GLY	CA	C	44.759	0.006	1
1343	1	122	GLY	N	N	109.107	0.002	1
1344	1	123	HIS	H	H	8.164	0.001	1
1345	1	123	HIS	HA	H	4.792	0.000	1
1346	1	123	HIS	HB2	H	3.406	0.000	2
1347	1	123	HIS	HB3	H	3.617	0.000	2
1348	1	123	HIS	HD2	H	7.386	0.000	1
1349	1	123	HIS	CA	C	55.657	0.000	1
1350	1	123	HIS	CB	C	27.039	0.001	1
1351	1	123	HIS	CD2	C	120.571	0.000	1
1352	1	123	HIS	N	N	120.927	0.000	1
1353	1	124	ARG	H	H	8.571	0.000	1
1354	1	124	ARG	HA	H	5.219	0.000	1
1355	1	124	ARG	HB2	H	1.854	0.000	2
1356	1	124	ARG	HB3	H	1.900	0.000	2
1357	1	124	ARG	HG2	H	1.517	0.000	2
1358	1	124	ARG	HG3	H	1.684	0.000	2
1359	1	124	ARG	HD2	H	3.212	0.000	2
1360	1	124	ARG	HD3	H	3.297	0.000	2
1361	1	124	ARG	HE	H	7.174	0.000	1
1362	1	124	ARG	C	C	176.305	0.007	1
1363	1	124	ARG	CA	C	55.888	0.001	1
1364	1	124	ARG	CB	C	31.885	0.000	1
1365	1	124	ARG	CG	C	27.615	0.003	1
1366	1	124	ARG	CD	C	43.951	0.000	1
1367	1	124	ARG	N	N	123.574	0.000	1
1368	1	124	ARG	NE	N	84.040	0.000	1
1369	1	125	VAL	H	H	9.851	0.000	1
1370	1	125	VAL	HA	H	4.258	0.000	1
1371	1	125	VAL	HB	H	2.112	0.000	1
1372	1	125	VAL	HG11	H	0.471	0.000	1
1373	1	125	VAL	HG12	H	0.471	0.000	1
1374	1	125	VAL	HG13	H	0.471	0.000	1
1375	1	125	VAL	HG21	H	1.055	0.000	1
1376	1	125	VAL	HG22	H	1.055	0.000	1
1377	1	125	VAL	HG23	H	1.055	0.000	1
1378	1	125	VAL	C	C	171.528	0.000	1
1379	1	125	VAL	CA	C	60.904	0.000	1
1380	1	125	VAL	CB	C	35.831	0.000	1
1381	1	125	VAL	CG1	C	20.923	0.001	1
1382	1	125	VAL	CG2	C	17.928	0.000	1
1383	1	125	VAL	N	N	127.014	0.000	1
1384	1	126	GLY	H	H	8.269	0.001	1
1385	1	126	GLY	HA2	H	3.256	0.000	1
1386	1	126	GLY	HA3	H	5.005	0.000	1
1387	1	126	GLY	C	C	172.478	0.000	1
1388	1	126	GLY	CA	C	44.717	0.001	1
1389	1	126	GLY	N	N	114.519	0.000	1
1390	1	127	LEU	H	H	9.379	0.000	1
1391	1	127	LEU	HA	H	5.781	0.000	1
1392	1	127	LEU	HB2	H	1.394	0.000	2
1393	1	127	LEU	HB3	H	1.898	0.000	2
1394	1	127	LEU	HG	H	1.700	0.003	1
1395	1	127	LEU	HD11	H	0.769	0.000	1
1396	1	127	LEU	HD12	H	0.769	0.000	1
1397	1	127	LEU	HD13	H	0.769	0.000	1
1398	1	127	LEU	HD21	H	1.050	0.000	1
1399	1	127	LEU	HD22	H	1.050	0.000	1
1400	1	127	LEU	HD23	H	1.050	0.000	1
1401	1	127	LEU	C	C	175.325	0.005	1
1402	1	127	LEU	CA	C	53.616	0.003	1
1403	1	127	LEU	CB	C	42.893	0.001	1
1404	1	127	LEU	CG	C	27.415	0.005	1
1405	1	127	LEU	CD1	C	26.182	0.000	1
1406	1	127	LEU	CD2	C	24.630	0.000	1
1407	1	127	LEU	N	N	124.560	0.000	1
1408	1	128	TRP	H	H	9.041	0.000	1
1409	1	128	TRP	HA	H	5.238	0.000	1
1410	1	128	TRP	HB2	H	2.875	0.000	2
1411	1	128	TRP	HB3	H	3.066	0.000	2
1412	1	128	TRP	HD1	H	6.989	0.000	1
1413	1	128	TRP	HE1	H	9.963	0.002	1
1414	1	128	TRP	HE3	H	7.302	0.000	1
1415	1	128	TRP	HZ2	H	6.855	0.001	1
1416	1	128	TRP	HZ3	H	6.521	0.001	1
1417	1	128	TRP	HH2	H	6.490	0.000	1
1418	1	128	TRP	C	C	174.008	0.000	1
1419	1	128	TRP	CA	C	55.711	0.000	1
1420	1	128	TRP	CB	C	33.923	0.002	1
1421	1	128	TRP	CD1	C	126.278	0.002	1
1422	1	128	TRP	CE3	C	119.493	0.000	1
1423	1	128	TRP	CZ2	C	113.619	0.002	1
1424	1	128	TRP	CZ3	C	121.975	0.009	1
1425	1	128	TRP	CH2	C	123.409	0.001	1
1426	1	128	TRP	N	N	124.436	0.000	1
1427	1	128	TRP	NE1	N	128.253	0.002	1
1428	1	129	GLN	H	H	9.171	0.000	1
1429	1	129	GLN	HA	H	5.035	0.001	1
1430	1	129	GLN	HB2	H	1.562	0.000	2
1431	1	129	GLN	HB3	H	2.020	0.000	2
1432	1	129	GLN	HG2	H	2.382	0.000	2
1433	1	129	GLN	HG3	H	1.956	0.000	2
1434	1	129	GLN	HE21	H	7.155	0.000	2
1435	1	129	GLN	HE22	H	7.615	0.000	2
1436	1	129	GLN	C	C	174.178	0.000	1
1437	1	129	GLN	CA	C	53.405	0.002	1
1438	1	129	GLN	CB	C	30.245	0.005	1
1439	1	129	GLN	CG	C	32.632	0.000	1
1440	1	129	GLN	N	N	131.383	0.000	1
1441	1	129	GLN	NE2	N	112.421	0.000	1
1442	1	130	ALA	H	H	8.761	0.000	1
1443	1	130	ALA	HA	H	3.985	0.000	1
1444	1	130	ALA	HB1	H	1.352	0.000	1
1445	1	130	ALA	HB2	H	1.352	0.000	1
1446	1	130	ALA	HB3	H	1.352	0.000	1
1447	1	130	ALA	C	C	177.657	0.006	1
1448	1	130	ALA	CA	C	53.141	0.002	1
1449	1	130	ALA	CB	C	19.694	0.003	1
1450	1	130	ALA	N	N	130.163	0.000	1
1451	1	131	LYS	H	H	8.066	0.000	1
1452	1	131	LYS	HA	H	4.233	0.000	1
1453	1	131	LYS	HB2	H	1.257	0.000	2
1454	1	131	LYS	HB3	H	1.682	0.000	2
1455	1	131	LYS	HG2	H	1.227	0.000	2
1456	1	131	LYS	HG3	H	1.103	0.000	2
1457	1	131	LYS	HD2	H	1.309	0.005	2
1458	1	131	LYS	HD3	H	1.309	0.005	2
1459	1	131	LYS	HE2	H	2.554	0.000	2
1460	1	131	LYS	HE3	H	2.633	0.000	2
1461	1	131	LYS	C	C	175.912	0.002	1
1462	1	131	LYS	CA	C	57.080	0.000	1
1463	1	131	LYS	CB	C	32.437	0.000	1
1464	1	131	LYS	CG	C	25.047	0.002	1
1465	1	131	LYS	CD	C	28.824	0.000	1
1466	1	131	LYS	CE	C	41.937	0.001	1
1467	1	131	LYS	N	N	122.377	0.000	1
1468	1	132	GLU	H	H	8.187	0.000	1
1469	1	132	GLU	HA	H	4.271	0.000	1
1470	1	132	GLU	HB2	H	1.886	0.000	2
1471	1	132	GLU	HB3	H	2.075	0.000	2
1472	1	132	GLU	HG2	H	2.179	0.000	2
1473	1	132	GLU	HG3	H	2.265	0.000	2
1474	1	132	GLU	C	C	175.777	0.001	1
1475	1	132	GLU	CA	C	56.654	0.000	1
1476	1	132	GLU	CB	C	30.580	0.000	1
1477	1	132	GLU	CG	C	36.304	0.000	1
1478	1	132	GLU	N	N	119.685	0.004	1
1479	1	133	HIS	H	H	8.645	0.000	1
1480	1	133	HIS	HA	H	4.800	0.000	1
1481	1	133	HIS	HB2	H	3.057	0.000	2
1482	1	133	HIS	HB3	H	3.196	0.002	2
1483	1	133	HIS	HD2	H	6.854	0.000	1
1484	1	133	HIS	CA	C	55.761	0.000	1
1485	1	133	HIS	CB	C	30.943	0.000	1
1486	1	133	HIS	CD2	C	119.023	0.002	1
1487	1	133	HIS	N	N	120.224	0.000	1
1488	1	134	THR	H	H	8.297	0.000	1
1489	1	134	THR	HA	H	4.819	0.000	1
1490	1	134	THR	HB	H	4.307	0.000	1
1491	1	134	THR	HG21	H	1.153	0.000	1
1492	1	134	THR	HG22	H	1.153	0.000	1
1493	1	134	THR	HG23	H	1.153	0.000	1
1494	1	134	THR	CA	C	61.789	0.000	1
1495	1	134	THR	CB	C	69.731	0.000	1
1496	1	134	THR	CG2	C	21.214	0.000	1
1497	1	134	THR	N	N	116.228	0.000	1
1498	1	135	GLY	HA2	H	3.719	0.000	2
1499	1	135	GLY	HA3	H	4.256	0.000	2
1500	1	135	GLY	C	C	173.663	0.000	1
1501	1	135	GLY	CA	C	44.995	0.000	1
1502	1	136	SER	H	H	8.599	0.000	1
1503	1	136	SER	HA	H	4.585	0.002	1
1504	1	136	SER	HB2	H	3.924	0.000	2
1505	1	136	SER	HB3	H	4.005	0.001	2
1506	1	136	SER	C	C	175.376	0.003	1
1507	1	136	SER	CA	C	58.959	0.001	1
1508	1	136	SER	CB	C	64.338	0.001	1
1509	1	136	SER	N	N	116.477	0.000	1
1510	1	137	GLY	H	H	8.713	0.001	1
1511	1	137	GLY	HA2	H	4.274	0.000	2
1512	1	137	GLY	HA3	H	4.019	0.000	2
1513	1	137	GLY	C	C	171.411	0.000	1
1514	1	137	GLY	CA	C	44.916	0.005	1
1515	1	137	GLY	N	N	111.673	0.001	1
1516	1	138	PRO	HA	H	4.428	0.001	1
1517	1	138	PRO	HB2	H	1.914	0.000	2
1518	1	138	PRO	HB3	H	2.279	0.000	2
1519	1	138	PRO	HG2	H	1.995	0.000	2
1520	1	138	PRO	HG3	H	1.995	0.000	2
1521	1	138	PRO	HD2	H	3.633	0.000	2
1522	1	138	PRO	HD3	H	3.633	0.000	2
1523	1	138	PRO	C	C	176.413	0.000	1
1524	1	138	PRO	CA	C	63.137	0.001	1
1525	1	138	PRO	CB	C	32.357	0.000	1
1526	1	138	PRO	CG	C	27.116	0.000	1
1527	1	138	PRO	CD	C	49.928	0.000	1
1528	1	139	ASP	H	H	8.487	0.000	1
1529	1	139	ASP	HA	H	4.543	0.000	1
1530	1	139	ASP	HB2	H	2.629	0.000	2
1531	1	139	ASP	HB3	H	2.732	0.001	2
1532	1	139	ASP	C	C	175.628	0.000	1
1533	1	139	ASP	CA	C	53.643	0.000	1
1534	1	139	ASP	CB	C	41.135	0.000	1
1535	1	139	ASP	N	N	120.811	0.000	1
1536	1	140	ASP	H	H	8.101	0.001	1
1537	1	140	ASP	HA	H	4.646	0.000	1
1538	1	140	ASP	HB2	H	2.546	0.000	2
1539	1	140	ASP	HB3	H	2.731	0.002	2
1540	1	140	ASP	C	C	176.269	0.001	1
1541	1	140	ASP	CA	C	53.477	0.000	1
1542	1	140	ASP	CB	C	41.229	0.000	1
1543	1	140	ASP	N	N	123.149	0.000	1
1544	1	141	GLY	H	H	8.039	0.000	1
1545	1	141	GLY	HA2	H	3.974	0.000	2
1546	1	141	GLY	HA3	H	3.974	0.000	2
1547	1	141	GLY	C	C	173.273	0.002	1
1548	1	141	GLY	CA	C	44.280	0.000	1
1549	1	141	GLY	N	N	107.309	0.001	1
1550	1	142	ILE	H	H	8.368	0.000	1
1551	1	142	ILE	HA	H	3.467	0.001	1
1552	1	142	ILE	HB	H	1.887	0.000	1
1553	1	142	ILE	HG12	H	1.589	0.000	1
1554	1	142	ILE	HG13	H	1.289	0.002	1
1555	1	142	ILE	HG21	H	1.082	0.000	1
1556	1	142	ILE	HG22	H	1.082	0.000	1
1557	1	142	ILE	HG23	H	1.082	0.000	1
1558	1	142	ILE	HD11	H	0.814	0.000	1
1559	1	142	ILE	HD12	H	0.814	0.000	1
1560	1	142	ILE	HD13	H	0.814	0.000	1
1561	1	142	ILE	C	C	178.029	0.002	1
1562	1	142	ILE	CA	C	62.485	0.001	1
1563	1	142	ILE	CB	C	37.101	0.001	1
1564	1	142	ILE	CG1	C	27.805	0.006	1
1565	1	142	ILE	CG2	C	18.204	0.000	1
1566	1	142	ILE	CD1	C	12.188	0.003	1
1567	1	142	ILE	N	N	118.362	0.005	1
1568	1	143	GLY	H	H	9.622	0.000	1
1569	1	143	GLY	HA2	H	3.305	0.001	2
1570	1	143	GLY	HA3	H	4.439	0.001	2
1571	1	143	GLY	C	C	172.009	0.000	1
1572	1	143	GLY	CA	C	45.131	0.002	1
1573	1	143	GLY	N	N	116.829	0.000	1
1574	1	144	ALA	H	H	7.468	0.001	1
1575	1	144	ALA	HA	H	4.340	0.001	1
1576	1	144	ALA	HB1	H	1.416	0.000	1
1577	1	144	ALA	HB2	H	1.416	0.000	1
1578	1	144	ALA	HB3	H	1.416	0.000	1
1579	1	144	ALA	C	C	177.106	0.003	1
1580	1	144	ALA	CA	C	51.269	0.004	1
1581	1	144	ALA	CB	C	20.159	0.003	1
1582	1	144	ALA	N	N	118.932	0.000	1
1583	1	145	TYR	H	H	8.394	0.000	1
1584	1	145	TYR	HA	H	4.480	0.000	1
1585	1	145	TYR	HB2	H	2.724	0.000	1
1586	1	145	TYR	HB3	H	2.849	0.000	1
1587	1	145	TYR	CA	C	57.067	0.000	1
1588	1	145	TYR	N	N	119.756	0.000	1
1589	1	146	THR	H	H	8.372	0.002	1
1590	1	146	THR	HA	H	4.088	0.000	1
1591	1	146	THR	HB	H	3.428	0.001	1
1592	1	146	THR	HG21	H	0.970	0.000	1
1593	1	146	THR	HG22	H	0.970	0.000	1
1594	1	146	THR	HG23	H	0.970	0.000	1
1595	1	146	THR	C	C	173.143	0.000	1
1596	1	146	THR	CA	C	64.965	0.000	1
1597	1	146	THR	CB	C	69.786	0.000	1
1598	1	146	THR	CG2	C	22.030	0.000	1
1599	1	146	THR	N	N	126.333	0.000	1
1600	1	147	ARG	H	H	6.705	0.000	1
1601	1	147	ARG	HA	H	3.773	0.000	1
1602	1	147	ARG	C	C	173.649	0.001	1
1603	1	147	ARG	CA	C	55.316	0.004	1
1604	1	147	ARG	CB	C	30.347	0.000	1
1605	1	147	ARG	CG	C	25.986	0.000	1
1606	1	147	ARG	N	N	109.298	0.001	1
1607	1	148	SER	H	H	6.384	0.000	1
1608	1	148	SER	HA	H	5.773	0.000	1
1609	1	148	SER	HB2	H	3.464	0.000	2
1610	1	148	SER	HB3	H	4.131	0.002	2
1611	1	148	SER	C	C	171.562	0.002	1
1612	1	148	SER	CA	C	58.038	0.002	1
1613	1	148	SER	CB	C	66.590	0.002	1
1614	1	148	SER	N	N	110.200	0.000	1
1615	1	149	GLU	H	H	8.599	0.000	1
1616	1	149	GLU	HA	H	5.069	0.000	1
1617	1	149	GLU	HB2	H	1.675	0.000	2
1618	1	149	GLU	HB3	H	1.675	0.000	2
1619	1	149	GLU	HG2	H	2.683	0.000	2
1620	1	149	GLU	HG3	H	1.926	0.000	2
1621	1	149	GLU	C	C	173.137	0.000	1
1622	1	149	GLU	CA	C	55.035	0.001	1
1623	1	149	GLU	CB	C	33.335	0.001	1
1624	1	149	GLU	CG	C	37.836	0.002	1
1625	1	149	GLU	N	N	119.137	0.000	1
1626	1	150	LEU	H	H	8.014	0.000	1
1627	1	150	LEU	HA	H	3.582	0.001	1
1628	1	150	LEU	HB2	H	-1.825	0.000	2
1629	1	150	LEU	HB3	H	-1.825	0.000	2
1630	1	150	LEU	HG	H	0.499	0.000	1
1631	1	150	LEU	HD11	H	-0.598	0.002	2
1632	1	150	LEU	HD12	H	-0.598	0.002	2
1633	1	150	LEU	HD13	H	-0.598	0.002	2
1634	1	150	LEU	HD21	H	0.584	0.001	2
1635	1	150	LEU	HD22	H	0.584	0.001	2
1636	1	150	LEU	HD23	H	0.584	0.001	2
1637	1	150	LEU	C	C	173.334	0.000	1
1638	1	150	LEU	CA	C	52.413	0.003	1
1639	1	150	LEU	CB	C	40.219	0.000	1
1640	1	150	LEU	CG	C	26.211	0.000	1
1641	1	150	LEU	CD1	C	19.957	0.002	1
1642	1	150	LEU	CD2	C	26.163	0.002	1
1643	1	150	LEU	N	N	125.099	0.001	1
1644	1	151	LEU	H	H	8.300	0.000	1
1645	1	151	LEU	HA	H	4.703	0.000	1
1646	1	151	LEU	HB2	H	1.528	0.000	1
1647	1	151	LEU	HB3	H	1.798	0.000	1
1648	1	151	LEU	HG	H	1.537	0.000	1
1649	1	151	LEU	HD11	H	0.461	0.001	2
1650	1	151	LEU	HD12	H	0.461	0.001	2
1651	1	151	LEU	HD13	H	0.461	0.001	2
1652	1	151	LEU	HD21	H	0.695	0.001	2
1653	1	151	LEU	HD22	H	0.695	0.001	2
1654	1	151	LEU	HD23	H	0.695	0.001	2
1655	1	151	LEU	C	C	175.398	0.000	1
1656	1	151	LEU	CA	C	53.633	0.000	1
1657	1	151	LEU	CB	C	40.243	0.003	1
1658	1	151	LEU	CG	C	28.767	0.000	1
1659	1	151	LEU	CD1	C	22.950	0.002	1
1660	1	151	LEU	CD2	C	24.294	0.007	1
1661	1	151	LEU	N	N	130.193	0.000	1
1662	1	152	THR	H	H	8.578	0.000	1
1663	1	152	THR	HA	H	4.871	0.000	1
1664	1	152	THR	HB	H	3.635	0.000	1
1665	1	152	THR	HG21	H	0.852	0.000	1
1666	1	152	THR	HG22	H	0.852	0.000	1
1667	1	152	THR	HG23	H	0.852	0.000	1
1668	1	152	THR	C	C	172.063	0.000	1
1669	1	152	THR	CA	C	57.314	0.000	1
1670	1	152	THR	CB	C	68.496	0.000	1
1671	1	152	THR	CG2	C	21.902	0.000	1
1672	1	152	THR	N	N	116.840	0.001	1
1673	1	153	GLY	H	H	8.666	0.000	1
1674	1	153	GLY	HA2	H	4.771	0.001	1
1675	1	153	GLY	HA3	H	3.682	0.000	1
1676	1	153	GLY	C	C	174.882	0.000	1
1677	1	153	GLY	CA	C	45.488	0.000	1
1678	1	153	GLY	N	N	115.202	0.000	1
1679	1	154	ALA	H	H	9.143	0.000	1
1680	1	154	ALA	HA	H	4.927	0.000	1
1681	1	154	ALA	HB1	H	1.234	0.000	1
1682	1	154	ALA	HB2	H	1.234	0.000	1
1683	1	154	ALA	HB3	H	1.234	0.000	1
1684	1	154	ALA	C	C	176.474	0.001	1
1685	1	154	ALA	CA	C	50.109	0.001	1
1686	1	154	ALA	CB	C	18.593	0.002	1
1687	1	154	ALA	N	N	130.159	0.000	1
1688	1	155	SER	H	H	8.411	0.001	1
1689	1	155	SER	HA	H	3.765	0.000	1
1690	1	155	SER	HB2	H	3.725	0.000	2
1691	1	155	SER	HB3	H	3.800	0.001	2
1692	1	155	SER	C	C	177.816	0.000	1
1693	1	155	SER	CA	C	63.228	0.001	1
1694	1	155	SER	CB	C	62.317	0.004	1
1695	1	155	SER	N	N	115.992	0.000	1
1696	1	156	ALA	H	H	8.637	0.000	1
1697	1	156	ALA	HA	H	4.348	0.000	1
1698	1	156	ALA	HB1	H	1.516	0.000	1
1699	1	156	ALA	HB2	H	1.516	0.000	1
1700	1	156	ALA	HB3	H	1.516	0.000	1
1701	1	156	ALA	C	C	180.558	0.000	1
1702	1	156	ALA	CA	C	55.522	0.001	1
1703	1	156	ALA	CB	C	18.154	0.000	1
1704	1	156	ALA	N	N	126.187	0.000	1
1705	1	157	THR	H	H	7.879	0.000	1
1706	1	157	THR	HA	H	4.116	0.000	1
1707	1	157	THR	HB	H	4.147	0.000	1
1708	1	157	THR	HG21	H	1.240	0.000	1
1709	1	157	THR	HG22	H	1.240	0.000	1
1710	1	157	THR	HG23	H	1.240	0.000	1
1711	1	157	THR	C	C	177.619	0.001	1
1712	1	157	THR	CA	C	65.420	0.000	1
1713	1	157	THR	CB	C	68.655	0.001	1
1714	1	157	THR	CG2	C	22.050	0.000	1
1715	1	157	THR	N	N	115.083	0.001	1
1716	1	158	ASP	H	H	8.934	0.000	1
1717	1	158	ASP	HA	H	4.536	0.006	1
1718	1	158	ASP	HB2	H	2.616	0.001	1
1719	1	158	ASP	HB3	H	2.746	0.001	1
1720	1	158	ASP	C	C	179.127	0.006	1
1721	1	158	ASP	CA	C	58.310	0.002	1
1722	1	158	ASP	CB	C	39.963	0.000	1
1723	1	158	ASP	N	N	124.324	0.000	1
1724	1	159	GLY	H	H	8.466	0.001	1
1725	1	159	GLY	HA2	H	3.923	0.004	1
1726	1	159	GLY	HA3	H	4.146	0.000	1
1727	1	159	GLY	C	C	174.993	0.004	1
1728	1	159	GLY	CA	C	48.059	0.000	1
1729	1	159	GLY	N	N	106.849	0.000	1
1730	1	160	ALA	H	H	7.512	0.000	1
1731	1	160	ALA	HA	H	4.204	0.000	1
1732	1	160	ALA	HB1	H	1.585	0.000	1
1733	1	160	ALA	HB2	H	1.585	0.000	1
1734	1	160	ALA	HB3	H	1.585	0.000	1
1735	1	160	ALA	C	C	180.329	0.007	1
1736	1	160	ALA	CA	C	55.316	0.001	1
1737	1	160	ALA	CB	C	17.995	0.004	1
1738	1	160	ALA	N	N	121.604	0.000	1
1739	1	161	PHE	H	H	7.412	0.000	1
1740	1	161	PHE	HA	H	4.343	0.000	1
1741	1	161	PHE	HB2	H	2.998	0.002	2
1742	1	161	PHE	HB3	H	3.305	0.001	2
1743	1	161	PHE	C	C	175.721	0.002	1
1744	1	161	PHE	CA	C	61.069	0.003	1
1745	1	161	PHE	CB	C	38.515	0.004	1
1746	1	161	PHE	N	N	120.296	0.000	1
1747	1	162	TYR	H	H	7.827	0.000	1
1748	1	162	TYR	HA	H	3.495	0.000	1
1749	1	162	TYR	HB2	H	2.802	0.000	1
1750	1	162	TYR	HB3	H	3.026	0.000	1
1751	1	162	TYR	HH	H	12.412	0.000	1
1752	1	162	TYR	C	C	178.471	0.001	1
1753	1	162	TYR	CA	C	62.938	0.000	1
1754	1	162	TYR	CB	C	39.657	0.000	1
1755	1	162	TYR	N	N	116.081	0.000	1
1756	1	163	ARG	H	H	8.846	0.000	1
1757	1	163	ARG	HA	H	4.397	0.000	1
1758	1	163	ARG	HB2	H	1.761	0.000	2
1759	1	163	ARG	HB3	H	1.850	0.000	2
1760	1	163	ARG	HG2	H	1.992	0.000	2
1761	1	163	ARG	HG3	H	2.134	0.000	2
1762	1	163	ARG	HD2	H	3.398	0.000	2
1763	1	163	ARG	HD3	H	3.202	0.000	2
1764	1	163	ARG	HE	H	7.207	0.000	1
1765	1	163	ARG	C	C	179.900	0.006	1
1766	1	163	ARG	CA	C	58.649	0.000	1
1767	1	163	ARG	CB	C	30.095	0.004	1
1768	1	163	ARG	CG	C	31.098	0.000	1
1769	1	163	ARG	CD	C	43.895	0.002	1
1770	1	163	ARG	CZ	C	173.461	0.000	1
1771	1	163	ARG	N	N	118.577	0.000	1
1772	1	163	ARG	NE	N	86.322	0.003	1
1773	1	164	GLY	H	H	7.806	0.000	1
1774	1	164	GLY	HA2	H	3.790	0.001	1
1775	1	164	GLY	HA3	H	3.548	0.001	1
1776	1	164	GLY	C	C	174.837	0.001	1
1777	1	164	GLY	CA	C	46.648	0.001	1
1778	1	164	GLY	N	N	109.876	0.001	1
1779	1	165	LEU	H	H	6.853	0.000	1
1780	1	165	LEU	HA	H	3.721	0.000	1
1781	1	165	LEU	HB2	H	0.127	0.001	1
1782	1	165	LEU	HB3	H	0.457	0.000	1
1783	1	165	LEU	HG	H	0.550	0.000	1
1784	1	165	LEU	HD11	H	0.046	0.000	1
1785	1	165	LEU	HD12	H	0.046	0.000	1
1786	1	165	LEU	HD13	H	0.046	0.000	1
1787	1	165	LEU	HD21	H	0.155	0.000	1
1788	1	165	LEU	HD22	H	0.155	0.000	1
1789	1	165	LEU	HD23	H	0.155	0.000	1
1790	1	165	LEU	C	C	178.680	0.000	1
1791	1	165	LEU	CA	C	56.424	0.002	1
1792	1	165	LEU	CB	C	42.322	0.001	1
1793	1	165	LEU	CG	C	25.404	0.000	1
1794	1	165	LEU	CD1	C	24.872	0.003	1
1795	1	165	LEU	CD2	C	23.819	0.001	1
1796	1	165	LEU	N	N	120.225	0.000	1
1797	1	166	PHE	H	H	8.055	0.000	1
1798	1	166	PHE	HA	H	4.878	0.000	1
1799	1	166	PHE	HB2	H	2.451	0.001	2
1800	1	166	PHE	HB3	H	3.306	0.001	2
1801	1	166	PHE	HD1	H	6.451	0.000	1
1802	1	166	PHE	HD2	H	6.451	0.000	1
1803	1	166	PHE	C	C	176.266	0.000	1
1804	1	166	PHE	CA	C	56.747	0.000	1
1805	1	166	PHE	CB	C	41.497	0.001	1
1806	1	166	PHE	N	N	113.958	0.000	1
1807	1	167	GLY	H	H	8.004	0.000	1
1808	1	167	GLY	HA2	H	3.856	0.000	2
1809	1	167	GLY	HA3	H	4.751	0.000	2
1810	1	167	GLY	C	C	174.295	0.001	1
1811	1	167	GLY	CA	C	44.173	0.002	1
1812	1	167	GLY	N	N	110.611	0.001	1
1813	1	168	ALA	H	H	8.328	0.001	1
1814	1	168	ALA	HA	H	3.982	0.000	1
1815	1	168	ALA	HB1	H	1.457	0.000	1
1816	1	168	ALA	HB2	H	1.457	0.000	1
1817	1	168	ALA	HB3	H	1.457	0.000	1
1818	1	168	ALA	C	C	177.827	0.001	1
1819	1	168	ALA	CA	C	55.023	0.000	1
1820	1	168	ALA	CB	C	19.216	0.005	1
1821	1	168	ALA	N	N	119.928	0.004	1
1822	1	169	ASP	H	H	8.370	0.000	1
1823	1	169	ASP	HA	H	4.640	0.000	1
1824	1	169	ASP	HB2	H	2.667	0.001	2
1825	1	169	ASP	HB3	H	2.729	0.000	2
1826	1	169	ASP	C	C	177.110	0.009	1
1827	1	169	ASP	CA	C	53.959	0.000	1
1828	1	169	ASP	CB	C	40.509	0.001	1
1829	1	169	ASP	N	N	112.907	0.000	1
1830	1	170	PHE	H	H	7.947	0.001	1
1831	1	170	PHE	HA	H	4.231	0.000	1
1832	1	170	PHE	HB2	H	3.304	0.000	2
1833	1	170	PHE	HB3	H	3.067	0.001	2
1834	1	170	PHE	HD1	H	7.255	0.001	1
1835	1	170	PHE	HD2	H	7.255	0.001	1
1836	1	170	PHE	C	C	175.325	0.001	1
1837	1	170	PHE	CA	C	60.164	0.000	1
1838	1	170	PHE	CB	C	39.928	0.000	1
1839	1	170	PHE	CD1	C	132.729	0.000	1
1840	1	170	PHE	CD2	C	132.729	0.001	1
1841	1	170	PHE	N	N	123.951	0.000	1
1842	1	171	ALA	H	H	8.716	0.002	1
1843	1	171	ALA	HA	H	3.777	0.002	1
1844	1	171	ALA	HB1	H	0.975	0.000	1
1845	1	171	ALA	HB2	H	0.975	0.000	1
1846	1	171	ALA	HB3	H	0.975	0.000	1
1847	1	171	ALA	C	C	176.429	0.002	1
1848	1	171	ALA	CA	C	52.500	0.000	1
1849	1	171	ALA	CB	C	16.881	0.001	1
1850	1	171	ALA	N	N	126.104	0.002	1
1851	1	172	THR	H	H	7.610	0.000	1
1852	1	172	THR	HA	H	4.492	0.001	1
1853	1	172	THR	HB	H	4.275	0.000	1
1854	1	172	THR	HG21	H	1.238	0.000	1
1855	1	172	THR	HG22	H	1.238	0.000	1
1856	1	172	THR	HG23	H	1.238	0.000	1
1857	1	172	THR	C	C	175.183	0.004	1
1858	1	172	THR	CA	C	61.556	0.002	1
1859	1	172	THR	CB	C	70.872	0.001	1
1860	1	172	THR	CG2	C	21.763	0.000	1
1861	1	172	THR	N	N	109.751	0.000	1
1862	1	173	GLU	H	H	8.752	0.001	1
1863	1	173	GLU	HA	H	4.320	0.000	1
1864	1	173	GLU	HB2	H	2.098	0.000	2
1865	1	173	GLU	HB3	H	1.959	0.001	2
1866	1	173	GLU	HG2	H	2.245	0.001	2
1867	1	173	GLU	HG3	H	2.245	0.001	2
1868	1	173	GLU	C	C	176.553	0.001	1
1869	1	173	GLU	CA	C	56.918	0.001	1
1870	1	173	GLU	CB	C	29.907	0.000	1
1871	1	173	GLU	CG	C	36.497	0.001	1
1872	1	173	GLU	N	N	122.828	0.003	1
1873	1	174	SER	H	H	8.327	0.001	1
1874	1	174	SER	HA	H	4.488	0.001	1
1875	1	174	SER	HB2	H	3.814	0.000	2
1876	1	174	SER	HB3	H	3.888	0.000	2
1877	1	174	SER	C	C	175.115	0.009	1
1878	1	174	SER	CA	C	58.312	0.006	1
1879	1	174	SER	CB	C	64.041	0.002	1
1880	1	174	SER	N	N	116.467	0.000	1
1881	1	175	GLY	H	H	8.465	0.000	1
1882	1	175	GLY	HA2	H	4.016	0.000	2
1883	1	175	GLY	HA3	H	4.016	0.000	2
1884	1	175	GLY	C	C	174.637	0.000	1
1885	1	175	GLY	CA	C	45.577	0.003	1
1886	1	175	GLY	N	N	110.905	0.000	1
1887	1	176	THR	H	H	8.098	0.000	1
1888	1	176	THR	HA	H	4.359	0.001	1
1889	1	176	THR	HB	H	4.281	0.000	1
1890	1	176	THR	HG21	H	1.161	0.000	1
1891	1	176	THR	HG22	H	1.161	0.000	1
1892	1	176	THR	HG23	H	1.161	0.000	1
1893	1	176	THR	C	C	174.675	0.000	1
1894	1	176	THR	CA	C	61.772	0.002	1
1895	1	176	THR	CB	C	69.809	0.000	1
1896	1	176	THR	CG2	C	21.540	0.000	1
1897	1	176	THR	N	N	112.752	0.000	1
1898	1	177	ASP	H	H	8.368	0.000	1
1899	1	177	ASP	HA	H	4.618	0.000	1
1900	1	177	ASP	HB2	H	2.691	0.000	2
1901	1	177	ASP	HB3	H	2.691	0.000	2
1902	1	177	ASP	C	C	176.713	0.000	1
1903	1	177	ASP	CA	C	54.624	0.003	1
1904	1	177	ASP	CB	C	41.223	0.000	1
1905	1	177	ASP	N	N	122.460	0.001	1
1906	1	178	GLY	H	H	8.403	0.000	1
1907	1	178	GLY	HA2	H	3.959	0.000	2
1908	1	178	GLY	HA3	H	3.959	0.000	2
1909	1	178	GLY	C	C	175.002	0.000	1
1910	1	178	GLY	CA	C	45.439	0.000	1
1911	1	178	GLY	N	N	109.385	0.000	1
1912	1	179	GLY	H	H	8.387	0.001	1
1913	1	179	GLY	HA2	H	3.936	0.006	2
1914	1	179	GLY	HA3	H	3.936	0.006	2
1915	1	179	GLY	C	C	174.687	0.000	1
1916	1	179	GLY	CA	C	45.420	0.000	1
1917	1	179	GLY	N	N	108.906	0.000	1
1918	1	180	GLY	H	H	8.230	0.000	1
1919	1	180	GLY	HA2	H	3.906	0.000	2
1920	1	180	GLY	HA3	H	3.906	0.000	2
1921	1	180	GLY	C	C	174.019	0.000	1
1922	1	180	GLY	CA	C	45.134	0.000	1
1923	1	180	GLY	N	N	108.865	0.000	1
1924	1	181	ARG	H	H	8.278	0.000	1
1925	1	181	ARG	HA	H	4.507	0.000	1
1926	1	181	ARG	HB2	H	1.795	0.000	2
1927	1	181	ARG	HB3	H	1.795	0.000	2
1928	1	181	ARG	HG2	H	1.648	0.000	2
1929	1	181	ARG	C	C	175.890	0.000	1
1930	1	181	ARG	CA	C	56.085	0.000	1
1931	1	181	ARG	CB	C	31.097	0.000	1
1932	1	181	ARG	CG	C	28.207	0.000	1
1933	1	181	ARG	N	N	120.473	0.003	1
1934	1	182	ARG	H	H	7.777	0.000	1
1935	1	182	ARG	HA	H	4.517	0.000	1
1936	1	182	ARG	HB2	H	1.604	0.000	2
1937	1	182	ARG	HB3	H	1.773	0.000	2
1938	1	182	ARG	HG2	H	1.571	0.000	2
1939	1	182	ARG	HG3	H	1.571	0.000	2
1940	1	182	ARG	HD2	H	3.165	0.000	2
1941	1	182	ARG	HD3	H	3.165	0.000	2
1942	1	182	ARG	HE	H	7.222	0.000	1
1943	1	182	ARG	C	C	175.099	0.000	1
1944	1	182	ARG	CA	C	54.607	0.000	1
1945	1	182	ARG	CB	C	32.397	0.000	1
1946	1	182	ARG	CG	C	27.218	0.000	1
1947	1	182	ARG	CD	C	43.359	0.000	1
1948	1	182	ARG	N	N	119.764	0.000	1
1949	1	182	ARG	NE	N	85.198	0.005	1
1950	1	183	ALA	H	H	8.594	0.000	1
1951	1	183	ALA	HA	H	4.627	0.000	1
1952	1	183	ALA	HB1	H	1.388	0.000	1
1953	1	183	ALA	HB2	H	1.388	0.000	1
1954	1	183	ALA	HB3	H	1.388	0.000	1
1955	1	183	ALA	C	C	175.635	0.000	1
1956	1	183	ALA	CA	C	51.833	0.000	1
1957	1	183	ALA	CB	C	20.625	0.000	1
1958	1	183	ALA	N	N	122.495	0.001	1
1959	1	184	ALA	H	H	6.877	0.000	1
1960	1	184	ALA	HA	H	4.530	0.000	1
1961	1	184	ALA	HB1	H	1.131	0.000	1
1962	1	184	ALA	HB2	H	1.131	0.000	1
1963	1	184	ALA	HB3	H	1.131	0.000	1
1964	1	184	ALA	C	C	174.480	0.005	1
1965	1	184	ALA	CA	C	50.633	0.000	1
1966	1	184	ALA	CB	C	23.284	0.001	1
1967	1	184	ALA	N	N	117.658	0.000	1
1968	1	185	ILE	H	H	8.585	0.000	1
1969	1	185	ILE	HA	H	4.423	0.003	1
1970	1	185	ILE	HB	H	1.611	0.000	1
1971	1	185	ILE	HG12	H	1.379	0.000	2
1972	1	185	ILE	HG13	H	1.379	0.000	2
1973	1	185	ILE	HG21	H	0.672	0.001	1
1974	1	185	ILE	HG22	H	0.672	0.001	1
1975	1	185	ILE	HG23	H	0.672	0.001	1
1976	1	185	ILE	HD11	H	0.985	0.002	1
1977	1	185	ILE	HD12	H	0.985	0.002	1
1978	1	185	ILE	HD13	H	0.985	0.002	1
1979	1	185	ILE	C	C	174.696	0.000	1
1980	1	185	ILE	CA	C	60.843	0.006	1
1981	1	185	ILE	CB	C	40.214	0.003	1
1982	1	185	ILE	CG1	C	26.676	0.001	1
1983	1	185	ILE	CG2	C	17.275	0.004	1
1984	1	185	ILE	CD1	C	13.733	0.001	1
1985	1	185	ILE	N	N	119.761	0.000	1
1986	1	186	ARG	H	H	9.503	0.001	1
1987	1	186	ARG	HA	H	4.567	0.001	1
1988	1	186	ARG	HB2	H	1.339	0.000	2
1989	1	186	ARG	HB3	H	1.510	0.001	2
1990	1	186	ARG	HG2	H	1.299	0.000	2
1991	1	186	ARG	HG3	H	1.161	0.000	2
1992	1	186	ARG	HD2	H	2.982	0.000	2
1993	1	186	ARG	HD3	H	2.750	0.000	2
1994	1	186	ARG	HE	H	8.348	0.001	1
1995	1	186	ARG	C	C	173.899	0.008	1
1996	1	186	ARG	CA	C	52.490	0.002	1
1997	1	186	ARG	CB	C	30.729	0.000	1
1998	1	186	ARG	CG	C	25.664	0.000	1
1999	1	186	ARG	CD	C	42.746	0.001	1
2000	1	186	ARG	N	N	126.563	0.000	1
2001	1	186	ARG	NE	N	88.699	0.003	1
2002	1	187	GLN	H	H	8.352	0.000	1
2003	1	187	GLN	HA	H	5.009	0.000	1
2004	1	187	GLN	HB2	H	1.915	0.000	1
2005	1	187	GLN	HB3	H	2.013	0.000	1
2006	1	187	GLN	HG2	H	2.192	0.000	2
2007	1	187	GLN	HG3	H	2.490	0.000	2
2008	1	187	GLN	HE21	H	7.425	0.000	1
2009	1	187	GLN	HE22	H	6.926	0.000	1
2010	1	187	GLN	C	C	176.247	0.001	1
2011	1	187	GLN	CA	C	54.731	0.001	1
2012	1	187	GLN	CB	C	28.130	0.000	1
2013	1	187	GLN	CG	C	32.886	0.001	1
2014	1	187	GLN	N	N	124.139	0.000	1
2015	1	187	GLN	NE2	N	113.726	0.000	1
2016	1	188	VAL	H	H	8.151	0.000	1
2017	1	188	VAL	HA	H	4.651	0.000	1
2018	1	188	VAL	HB	H	2.075	0.001	1
2019	1	188	VAL	HG11	H	0.565	0.000	1
2020	1	188	VAL	HG12	H	0.565	0.000	1
2021	1	188	VAL	HG13	H	0.565	0.000	1
2022	1	188	VAL	HG21	H	0.572	0.000	1
2023	1	188	VAL	HG22	H	0.572	0.000	1
2024	1	188	VAL	HG23	H	0.572	0.000	1
2025	1	188	VAL	C	C	175.719	0.000	1
2026	1	188	VAL	CA	C	59.402	0.008	1
2027	1	188	VAL	CB	C	35.217	0.005	1
2028	1	188	VAL	CG1	C	21.641	0.004	1
2029	1	188	VAL	CG2	C	17.586	0.001	1
2030	1	188	VAL	N	N	121.492	0.000	1
2031	1	189	GLY	H	H	8.282	0.000	1
2032	1	189	GLY	HA2	H	3.967	0.000	2
2033	1	189	GLY	HA3	H	4.336	0.000	2
2034	1	189	GLY	C	C	173.321	0.000	1
2035	1	189	GLY	CA	C	44.478	0.003	1
2036	1	189	GLY	N	N	106.760	0.000	1
2037	1	190	PRO	HA	H	4.385	0.000	1
2038	1	190	PRO	HB2	H	2.013	0.000	2
2039	1	190	PRO	HB3	H	2.333	0.000	2
2040	1	190	PRO	HG2	H	2.006	0.000	2
2041	1	190	PRO	HG3	H	2.006	0.000	2
2042	1	190	PRO	HD2	H	3.674	0.000	2
2043	1	190	PRO	HD3	H	3.674	0.000	2
2044	1	190	PRO	C	C	177.301	0.000	1
2045	1	190	PRO	CA	C	64.484	0.006	1
2046	1	190	PRO	CB	C	32.084	0.000	1
2047	1	190	PRO	CG	C	26.957	0.001	1
2048	1	190	PRO	CD	C	49.760	0.000	1
2049	1	191	ALA	H	H	8.397	0.001	1
2050	1	191	ALA	HA	H	4.427	0.001	1
2051	1	191	ALA	HB1	H	1.405	0.000	1
2052	1	191	ALA	HB2	H	1.405	0.000	1
2053	1	191	ALA	HB3	H	1.405	0.000	1
2054	1	191	ALA	C	C	177.075	0.004	1
2055	1	191	ALA	CA	C	51.986	0.001	1
2056	1	191	ALA	CB	C	18.896	0.000	1
2057	1	191	ALA	N	N	120.398	0.000	1
2058	1	192	ALA	H	H	7.197	0.000	1
2059	1	192	ALA	HA	H	4.522	0.000	1
2060	1	192	ALA	HB1	H	1.347	0.000	1
2061	1	192	ALA	HB2	H	1.347	0.000	1
2062	1	192	ALA	HB3	H	1.347	0.000	1
2063	1	192	ALA	C	C	174.734	0.000	1
2064	1	192	ALA	CA	C	50.271	0.000	1
2065	1	192	ALA	CB	C	18.853	0.000	1
2066	1	192	ALA	N	N	122.316	0.000	1
2067	1	193	PRO	HA	H	4.445	0.000	1
2068	1	193	PRO	HB2	H	1.809	0.000	2
2069	1	193	PRO	HB3	H	2.176	0.000	2
2070	1	193	PRO	HG2	H	1.754	0.000	2
2071	1	193	PRO	HG3	H	1.754	0.000	2
2072	1	193	PRO	HD2	H	3.734	0.000	1
2073	1	193	PRO	HD3	H	3.371	0.000	1
2074	1	193	PRO	C	C	173.321	0.000	1
2075	1	193	PRO	CA	C	62.988	0.001	1
2076	1	193	PRO	CB	C	30.900	0.000	1
2077	1	193	PRO	CG	C	27.858	0.000	1
2078	1	193	PRO	CD	C	49.761	0.005	1
2079	1	194	SER	H	H	8.075	0.000	1
2080	1	194	SER	HA	H	4.979	0.002	1
2081	1	194	SER	HB2	H	3.786	0.000	2
2082	1	194	SER	HB3	H	3.889	0.002	2
2083	1	194	SER	C	C	175.929	0.000	1
2084	1	194	SER	CA	C	56.408	0.000	1
2085	1	194	SER	CB	C	66.466	0.002	1
2086	1	194	SER	N	N	111.037	0.002	1
2087	1	195	GLY	H	H	9.146	0.000	1
2088	1	195	GLY	HA2	H	2.836	0.000	1
2089	1	195	GLY	HA3	H	4.348	0.001	1
2090	1	195	GLY	C	C	171.719	0.000	1
2091	1	195	GLY	CA	C	43.554	0.001	1
2092	1	195	GLY	N	N	112.622	0.005	1
2093	1	196	TRP	H	H	8.917	0.000	1
2094	1	196	TRP	HA	H	4.765	0.000	1
2095	1	196	TRP	HB2	H	2.797	0.000	2
2096	1	196	TRP	HB3	H	3.205	0.000	2
2097	1	196	TRP	HD1	H	7.137	0.007	1
2098	1	196	TRP	HE1	H	10.359	0.002	1
2099	1	196	TRP	HE3	H	6.951	0.000	1
2100	1	196	TRP	HZ2	H	6.154	0.003	1
2101	1	196	TRP	HZ3	H	6.806	0.001	1
2102	1	196	TRP	HH2	H	6.692	0.003	1
2103	1	196	TRP	C	C	178.337	0.001	1
2104	1	196	TRP	CA	C	57.104	0.000	1
2105	1	196	TRP	CB	C	30.270	0.000	1
2106	1	196	TRP	CD1	C	126.395	0.001	1
2107	1	196	TRP	CE3	C	119.385	0.000	1
2108	1	196	TRP	CZ2	C	114.246	0.000	1
2109	1	196	TRP	CZ3	C	121.289	0.000	1
2110	1	196	TRP	CH2	C	122.932	0.003	1
2111	1	196	TRP	N	N	118.503	0.000	1
2112	1	196	TRP	NE1	N	128.931	0.000	1
2113	1	197	TYR	H	H	9.462	0.000	1
2114	1	197	TYR	HA	H	5.410	0.000	1
2115	1	197	TYR	HB2	H	3.047	0.000	1
2116	1	197	TYR	HB3	H	2.680	0.000	1
2117	1	197	TYR	HD1	H	7.087	0.002	1
2118	1	197	TYR	HD2	H	7.087	0.002	1
2119	1	197	TYR	HE1	H	6.512	0.001	1
2120	1	197	TYR	HE2	H	6.512	0.001	1
2121	1	197	TYR	C	C	173.165	0.000	1
2122	1	197	TYR	CA	C	55.763	0.000	1
2123	1	197	TYR	CB	C	40.554	0.000	1
2124	1	197	TYR	CD1	C	133.798	0.001	1
2125	1	197	TYR	CD2	C	133.798	0.000	1
2126	1	197	TYR	CE1	C	118.231	0.001	1
2127	1	197	TYR	CE2	C	118.231	0.000	1
2128	1	197	TYR	N	N	123.748	0.000	1
2129	1	198	PRO	HA	H	4.976	0.000	1
2130	1	198	PRO	HB2	H	1.162	0.001	1
2131	1	198	PRO	HB3	H	1.689	0.000	1
2132	1	198	PRO	HG2	H	1.859	0.000	1
2133	1	198	PRO	HG3	H	1.455	0.000	1
2134	1	198	PRO	HD2	H	4.207	0.000	2
2135	1	198	PRO	HD3	H	4.207	0.000	2
2136	1	198	PRO	C	C	174.077	0.000	1
2137	1	198	PRO	CA	C	61.991	0.000	1
2138	1	198	PRO	CB	C	32.853	0.000	1
2139	1	198	PRO	CG	C	26.491	0.000	1
2140	1	198	PRO	CD	C	51.001	0.004	1
2141	1	199	CYS	H	H	8.467	0.000	1
2142	1	199	CYS	HA	H	5.368	0.000	1
2143	1	199	CYS	HB2	H	2.208	0.000	2
2144	1	199	CYS	HB3	H	2.711	0.000	2
2145	1	199	CYS	C	C	173.559	0.002	1
2146	1	199	CYS	CA	C	56.052	0.000	1
2147	1	199	CYS	CB	C	28.820	0.001	1
2148	1	199	CYS	N	N	116.798	0.000	1
2149	1	200	PHE	H	H	8.961	0.000	1
2150	1	200	PHE	HA	H	5.387	0.000	1
2151	1	200	PHE	HB2	H	2.301	0.000	2
2152	1	200	PHE	HB3	H	2.563	0.000	2
2153	1	200	PHE	HD1	H	7.009	0.000	1
2154	1	200	PHE	HD2	H	7.009	0.000	1
2155	1	200	PHE	HE1	H	6.414	0.002	1
2156	1	200	PHE	HE2	H	6.414	0.002	1
2157	1	200	PHE	HZ	H	5.769	0.004	1
2158	1	200	PHE	C	C	175.343	0.000	1
2159	1	200	PHE	CA	C	55.691	0.000	1
2160	1	200	PHE	CB	C	42.734	0.004	1
2161	1	200	PHE	CD1	C	132.062	0.001	1
2162	1	200	PHE	CD2	C	132.062	0.000	1
2163	1	200	PHE	CE1	C	129.918	0.000	1
2164	1	200	PHE	CE2	C	129.918	0.001	1
2165	1	200	PHE	CZ	C	129.000	0.001	1
2166	1	200	PHE	N	N	123.824	0.000	1
2167	1	201	ARG	H	H	8.216	0.000	1
2168	1	201	ARG	HA	H	4.687	0.000	1
2169	1	201	ARG	HB2	H	1.887	0.000	2
2170	1	201	ARG	HB3	H	1.887	0.000	2
2171	1	201	ARG	HG2	H	1.473	0.000	2
2172	1	201	ARG	HG3	H	1.728	0.000	2
2173	1	201	ARG	HD2	H	2.968	0.000	2
2174	1	201	ARG	HD3	H	3.149	0.000	2
2175	1	201	ARG	C	C	176.190	0.000	1
2176	1	201	ARG	CA	C	56.950	0.000	1
2177	1	201	ARG	CB	C	30.267	0.003	1
2178	1	201	ARG	CG	C	27.834	0.000	1
2179	1	201	ARG	CD	C	42.743	0.002	1
2180	1	201	ARG	N	N	124.161	0.000	1
2181	1	202	ALA	H	H	8.945	0.000	1
2182	1	202	ALA	HA	H	4.927	0.000	1
2183	1	202	ALA	HB1	H	1.520	0.000	1
2184	1	202	ALA	HB2	H	1.520	0.000	1
2185	1	202	ALA	HB3	H	1.520	0.000	1
2186	1	202	ALA	C	C	175.005	0.010	1
2187	1	202	ALA	CA	C	51.351	0.000	1
2188	1	202	ALA	CB	C	23.914	0.002	1
2189	1	202	ALA	N	N	127.360	0.000	1
2190	1	203	GLN	H	H	8.487	0.000	1
2191	1	203	GLN	HA	H	4.913	0.000	1
2192	1	203	GLN	HB2	H	2.380	0.000	1
2193	1	203	GLN	HB3	H	2.054	0.003	1
2194	1	203	GLN	HG2	H	2.492	0.000	2
2195	1	203	GLN	HG3	H	2.359	0.001	2
2196	1	203	GLN	HE21	H	7.851	0.000	2
2197	1	203	GLN	HE22	H	6.894	0.001	2
2198	1	203	GLN	C	C	177.625	0.008	1
2199	1	203	GLN	CA	C	54.863	0.002	1
2200	1	203	GLN	CB	C	31.030	0.000	1
2201	1	203	GLN	CG	C	34.896	0.000	1
2202	1	203	GLN	N	N	116.756	0.000	1
2203	1	203	GLN	NE2	N	113.113	0.002	1
2204	1	204	GLU	H	H	9.304	0.001	1
2205	1	204	GLU	HA	H	4.014	0.000	1
2206	1	204	GLU	HB2	H	2.137	0.000	2
2207	1	204	GLU	HB3	H	2.137	0.000	2
2208	1	204	GLU	HG2	H	2.335	0.004	2
2209	1	204	GLU	HG3	H	2.389	0.000	2
2210	1	204	GLU	C	C	178.404	0.003	1
2211	1	204	GLU	CA	C	60.502	0.001	1
2212	1	204	GLU	CB	C	29.156	0.001	1
2213	1	204	GLU	CG	C	36.030	0.000	1
2214	1	204	GLU	N	N	121.608	0.002	1
2215	1	205	SER	H	H	8.076	0.000	1
2216	1	205	SER	HA	H	4.155	0.000	1
2217	1	205	SER	HB2	H	3.899	0.000	2
2218	1	205	SER	HB3	H	4.046	0.000	2
2219	1	205	SER	C	C	175.217	0.000	1
2220	1	205	SER	CA	C	59.836	0.002	1
2221	1	205	SER	CB	C	62.453	0.001	1
2222	1	205	SER	N	N	112.130	0.000	1
2223	1	206	ALA	H	H	8.481	0.000	1
2224	1	206	ALA	HA	H	4.225	0.000	1
2225	1	206	ALA	HB1	H	1.548	0.001	1
2226	1	206	ALA	HB2	H	1.548	0.001	1
2227	1	206	ALA	HB3	H	1.548	0.001	1
2228	1	206	ALA	C	C	178.411	0.001	1
2229	1	206	ALA	CA	C	54.351	0.000	1
2230	1	206	ALA	CB	C	19.926	0.006	1
2231	1	206	ALA	N	N	125.929	0.003	1
2232	1	207	VAL	H	H	7.628	0.000	1
2233	1	207	VAL	HA	H	3.616	0.002	1
2234	1	207	VAL	HB	H	2.461	0.001	1
2235	1	207	VAL	HG11	H	0.848	0.000	1
2236	1	207	VAL	HG12	H	0.848	0.000	1
2237	1	207	VAL	HG13	H	0.848	0.000	1
2238	1	207	VAL	HG21	H	1.017	0.000	1
2239	1	207	VAL	HG22	H	1.017	0.000	1
2240	1	207	VAL	HG23	H	1.017	0.000	1
2241	1	207	VAL	CA	C	68.553	0.001	1
2242	1	207	VAL	CB	C	28.711	0.001	1
2243	1	207	VAL	CG1	C	21.658	0.002	1
2244	1	207	VAL	CG2	C	23.597	0.001	1
2245	1	207	VAL	N	N	114.558	0.000	1
2246	1	208	PRO	HA	H	4.266	0.003	1
2247	1	208	PRO	HB2	H	1.893	0.000	1
2248	1	208	PRO	HB3	H	2.222	0.004	1
2249	1	208	PRO	HG2	H	2.136	0.000	1
2250	1	208	PRO	HG3	H	1.988	0.000	1
2251	1	208	PRO	HD2	H	4.080	0.000	1
2252	1	208	PRO	HD3	H	3.503	0.000	1
2253	1	208	PRO	C	C	179.830	0.000	1
2254	1	208	PRO	CA	C	65.187	0.003	1
2255	1	208	PRO	CB	C	30.137	0.001	1
2256	1	208	PRO	CG	C	27.770	0.004	1
2257	1	208	PRO	CD	C	49.377	0.004	1
2258	1	209	ALA	H	H	7.060	0.000	1
2259	1	209	ALA	HA	H	4.043	0.000	1
2260	1	209	ALA	HB1	H	1.326	0.000	1
2261	1	209	ALA	HB2	H	1.326	0.000	1
2262	1	209	ALA	HB3	H	1.326	0.000	1
2263	1	209	ALA	C	C	179.226	0.007	1
2264	1	209	ALA	CA	C	55.290	0.000	1
2265	1	209	ALA	CB	C	17.988	0.002	1
2266	1	209	ALA	N	N	119.854	0.000	1
2267	1	210	ALA	H	H	8.442	0.000	1
2268	1	210	ALA	HA	H	3.880	0.001	1
2269	1	210	ALA	HB1	H	1.476	0.000	1
2270	1	210	ALA	HB2	H	1.476	0.000	1
2271	1	210	ALA	HB3	H	1.476	0.000	1
2272	1	210	ALA	C	C	180.225	0.000	1
2273	1	210	ALA	CA	C	55.228	0.000	1
2274	1	210	ALA	CB	C	16.235	0.001	1
2275	1	210	ALA	N	N	120.733	0.001	1
2276	1	211	VAL	H	H	8.156	0.000	1
2277	1	211	VAL	HA	H	4.091	0.000	1
2278	1	211	VAL	HB	H	2.062	0.001	1
2279	1	211	VAL	HG11	H	0.985	0.000	1
2280	1	211	VAL	HG12	H	0.985	0.000	1
2281	1	211	VAL	HG13	H	0.985	0.000	1
2282	1	211	VAL	HG21	H	0.932	0.000	1
2283	1	211	VAL	HG22	H	0.932	0.000	1
2284	1	211	VAL	HG23	H	0.932	0.000	1
2285	1	211	VAL	C	C	181.034	0.000	1
2286	1	211	VAL	CA	C	65.542	0.001	1
2287	1	211	VAL	CB	C	31.952	0.003	1
2288	1	211	VAL	CG1	C	20.872	0.001	1
2289	1	211	VAL	CG2	C	22.073	0.007	1
2290	1	211	VAL	N	N	120.040	0.000	1
2291	1	212	MET	H	H	8.321	0.000	1
2292	1	212	MET	HA	H	4.235	0.001	1
2293	1	212	MET	HB2	H	2.220	0.000	2
2294	1	212	MET	HB3	H	2.220	0.000	2
2295	1	212	MET	HG2	H	2.635	0.000	1
2296	1	212	MET	HG3	H	2.694	0.001	1
2297	1	212	MET	C	C	178.120	0.002	1
2298	1	212	MET	CA	C	58.583	0.003	1
2299	1	212	MET	CB	C	32.021	0.002	1
2300	1	212	MET	CG	C	32.080	0.001	1
2301	1	212	MET	N	N	122.436	0.009	1
2302	1	213	LEU	H	H	7.473	0.000	1
2303	1	213	LEU	HA	H	4.369	0.000	1
2304	1	213	LEU	HB2	H	2.144	0.001	1
2305	1	213	LEU	HB3	H	1.994	0.002	1
2306	1	213	LEU	HG	H	1.778	0.002	1
2307	1	213	LEU	HD11	H	0.543	0.000	1
2308	1	213	LEU	HD12	H	0.543	0.000	1
2309	1	213	LEU	HD13	H	0.543	0.000	1
2310	1	213	LEU	HD21	H	0.840	0.000	1
2311	1	213	LEU	HD22	H	0.840	0.000	1
2312	1	213	LEU	HD23	H	0.840	0.000	1
2313	1	213	LEU	C	C	176.509	0.000	1
2314	1	213	LEU	CA	C	55.157	0.008	1
2315	1	213	LEU	CB	C	42.630	0.005	1
2316	1	213	LEU	CG	C	26.689	0.005	1
2317	1	213	LEU	CD1	C	25.749	0.009	1
2318	1	213	LEU	CD2	C	22.229	0.001	1
2319	1	213	LEU	N	N	118.279	0.000	1
2320	1	214	GLY	H	H	7.925	0.001	1
2321	1	214	GLY	HA2	H	3.906	0.000	2
2322	1	214	GLY	HA3	H	3.753	0.000	2
2323	1	214	GLY	C	C	174.810	0.001	1
2324	1	214	GLY	CA	C	44.974	0.003	1
2325	1	214	GLY	N	N	105.322	0.000	1
2326	1	215	ALA	H	H	8.520	0.000	1
2327	1	215	ALA	HA	H	4.699	0.000	1
2328	1	215	ALA	HB1	H	1.221	0.000	1
2329	1	215	ALA	HB2	H	1.221	0.000	1
2330	1	215	ALA	HB3	H	1.221	0.000	1
2331	1	215	ALA	C	C	175.819	0.005	1
2332	1	215	ALA	CA	C	51.262	0.000	1
2333	1	215	ALA	CB	C	21.494	0.004	1
2334	1	215	ALA	N	N	124.091	0.000	1
2335	1	216	SER	H	H	8.500	0.000	1
2336	1	216	SER	HA	H	4.837	0.000	1
2337	1	216	SER	HB2	H	3.631	0.000	2
2338	1	216	SER	HB3	H	3.698	0.000	2
2339	1	216	SER	C	C	173.057	0.007	1
2340	1	216	SER	CA	C	57.137	0.000	1
2341	1	216	SER	CB	C	65.730	0.004	1
2342	1	216	SER	N	N	111.747	0.000	1
2343	1	217	VAL	H	H	8.803	0.000	1
2344	1	217	VAL	HA	H	3.894	0.001	1
2345	1	217	VAL	HB	H	1.895	0.000	1
2346	1	217	VAL	HG11	H	0.748	0.000	1
2347	1	217	VAL	HG12	H	0.748	0.000	1
2348	1	217	VAL	HG13	H	0.748	0.000	1
2349	1	217	VAL	HG21	H	0.714	0.001	1
2350	1	217	VAL	HG22	H	0.714	0.001	1
2351	1	217	VAL	HG23	H	0.714	0.001	1
2352	1	217	VAL	C	C	176.396	0.000	1
2353	1	217	VAL	CA	C	63.876	0.001	1
2354	1	217	VAL	CB	C	31.962	0.004	1
2355	1	217	VAL	CG1	C	21.240	0.002	1
2356	1	217	VAL	CG2	C	21.258	0.009	1
2357	1	217	VAL	N	N	123.927	0.000	1
2358	1	218	LEU	H	H	9.421	0.000	1
2359	1	218	LEU	HA	H	4.452	0.003	1
2360	1	218	LEU	HB2	H	1.293	0.002	2
2361	1	218	LEU	HB3	H	1.363	0.006	2
2362	1	218	LEU	HG	H	1.557	0.000	1
2363	1	218	LEU	HD11	H	0.742	0.000	2
2364	1	218	LEU	HD12	H	0.742	0.000	2
2365	1	218	LEU	HD13	H	0.742	0.000	2
2366	1	218	LEU	HD21	H	0.775	0.000	2
2367	1	218	LEU	HD22	H	0.775	0.000	2
2368	1	218	LEU	HD23	H	0.775	0.000	2
2369	1	218	LEU	C	C	176.977	0.000	1
2370	1	218	LEU	CA	C	55.582	0.003	1
2371	1	218	LEU	CB	C	43.778	0.004	1
2372	1	218	LEU	CG	C	26.447	0.005	1
2373	1	218	LEU	CD1	C	21.814	0.000	1
2374	1	218	LEU	CD2	C	26.403	0.002	1
2375	1	218	LEU	N	N	127.568	0.000	1
2376	1	219	LEU	H	H	7.491	0.000	1
2377	1	219	LEU	HA	H	4.523	0.000	1
2378	1	219	LEU	HB2	H	1.510	0.002	1
2379	1	219	LEU	HB3	H	1.455	0.002	1
2380	1	219	LEU	HG	H	1.581	0.000	1
2381	1	219	LEU	HD11	H	1.065	0.000	1
2382	1	219	LEU	HD12	H	1.065	0.000	1
2383	1	219	LEU	HD13	H	1.065	0.000	1
2384	1	219	LEU	HD21	H	0.821	0.000	1
2385	1	219	LEU	HD22	H	0.821	0.000	1
2386	1	219	LEU	HD23	H	0.821	0.000	1
2387	1	219	LEU	C	C	173.025	0.001	1
2388	1	219	LEU	CA	C	55.112	0.000	1
2389	1	219	LEU	CB	C	45.690	0.002	1
2390	1	219	LEU	CG	C	27.329	0.002	1
2391	1	219	LEU	CD1	C	23.676	0.006	1
2392	1	219	LEU	CD2	C	26.613	0.005	1
2393	1	219	LEU	N	N	118.029	0.000	1
2394	1	220	ARG	H	H	8.388	0.000	1
2395	1	220	ARG	HA	H	5.405	0.000	1
2396	1	220	ARG	HB2	H	1.613	0.001	2
2397	1	220	ARG	HB3	H	1.940	0.000	2
2398	1	220	ARG	HG2	H	1.547	0.001	2
2399	1	220	ARG	HG3	H	1.547	0.001	2
2400	1	220	ARG	HD2	H	3.134	0.000	2
2401	1	220	ARG	HD3	H	3.134	0.000	2
2402	1	220	ARG	HE	H	7.287	0.001	1
2403	1	220	ARG	C	C	174.920	0.007	1
2404	1	220	ARG	CA	C	55.006	0.006	1
2405	1	220	ARG	CB	C	32.589	0.002	1
2406	1	220	ARG	CG	C	28.647	0.003	1
2407	1	220	ARG	CD	C	43.385	0.000	1
2408	1	220	ARG	N	N	124.849	0.001	1
2409	1	220	ARG	NE	N	85.490	0.006	1
2410	1	221	TYR	H	H	9.002	0.000	1
2411	1	221	TYR	HA	H	4.893	0.000	1
2412	1	221	TYR	HB2	H	3.086	0.000	1
2413	1	221	TYR	HB3	H	2.826	0.001	1
2414	1	221	TYR	HD1	H	6.629	0.001	1
2415	1	221	TYR	HD2	H	6.629	0.001	1
2416	1	221	TYR	HE1	H	6.513	0.004	1
2417	1	221	TYR	HE2	H	6.513	0.004	1
2418	1	221	TYR	C	C	171.809	0.001	1
2419	1	221	TYR	CA	C	56.480	0.001	1
2420	1	221	TYR	CB	C	39.656	0.001	1
2421	1	221	TYR	CD1	C	132.939	0.000	1
2422	1	221	TYR	CD2	C	132.939	0.002	1
2423	1	221	TYR	CE1	C	118.231	0.000	1
2424	1	221	TYR	CE2	C	118.231	0.000	1
2425	1	221	TYR	N	N	121.661	0.000	1
2426	1	222	ASP	H	H	8.566	0.000	1
2427	1	222	ASP	HA	H	4.992	0.000	1
2428	1	222	ASP	HB2	H	2.477	0.000	2
2429	1	222	ASP	HB3	H	2.477	0.000	2
2430	1	222	ASP	C	C	175.676	0.001	1
2431	1	222	ASP	CA	C	54.957	0.000	1
2432	1	222	ASP	CB	C	43.352	0.003	1
2433	1	222	ASP	N	N	118.706	0.002	1
2434	1	223	CYS	H	H	8.095	0.002	1
2435	1	223	CYS	HA	H	4.819	0.000	1
2436	1	223	CYS	HB2	H	2.758	0.003	1
2437	1	223	CYS	HB3	H	3.331	0.002	1
2438	1	223	CYS	C	C	174.131	0.000	1
2439	1	223	CYS	CA	C	56.774	0.000	1
2440	1	223	CYS	CB	C	27.856	0.004	1
2441	1	223	CYS	N	N	120.231	0.002	1
2442	1	224	PRO	HA	H	4.264	0.001	1
2443	1	224	PRO	HB2	H	1.822	0.000	1
2444	1	224	PRO	HB3	H	2.392	0.000	1
2445	1	224	PRO	HG2	H	2.026	0.001	2
2446	1	224	PRO	HG3	H	2.026	0.001	2
2447	1	224	PRO	HD2	H	3.647	0.000	2
2448	1	224	PRO	HD3	H	3.647	0.000	2
2449	1	224	PRO	C	C	176.665	0.000	1
2450	1	224	PRO	CA	C	65.452	0.001	1
2451	1	224	PRO	CB	C	31.748	0.000	1
2452	1	224	PRO	CG	C	28.211	0.001	1
2453	1	224	PRO	CD	C	50.492	0.000	1
2454	1	225	ASP	H	H	8.700	0.000	1
2455	1	225	ASP	HA	H	4.550	0.000	1
2456	1	225	ASP	HB2	H	2.536	0.002	2
2457	1	225	ASP	HB3	H	2.870	0.000	2
2458	1	225	ASP	C	C	175.235	0.001	1
2459	1	225	ASP	CA	C	52.115	0.000	1
2460	1	225	ASP	CB	C	39.015	0.003	1
2461	1	225	ASP	N	N	109.313	0.001	1
2462	1	226	GLY	H	H	7.316	0.000	1
2463	1	226	GLY	HA2	H	3.856	0.002	2
2464	1	226	GLY	HA3	H	3.856	0.002	2
2465	1	226	GLY	C	C	169.638	0.000	1
2466	1	226	GLY	CA	C	45.089	0.001	1
2467	1	226	GLY	N	N	109.188	0.000	1
2468	1	227	PRO	HA	H	4.635	0.000	1
2469	1	227	PRO	HB2	H	1.693	0.002	1
2470	1	227	PRO	HB3	H	2.359	0.000	1
2471	1	227	PRO	HG2	H	1.983	0.000	2
2472	1	227	PRO	HG3	H	2.080	0.000	2
2473	1	227	PRO	HD2	H	3.673	0.000	2
2474	1	227	PRO	HD3	H	3.673	0.000	2
2475	1	227	PRO	C	C	174.462	0.000	1
2476	1	227	PRO	CA	C	63.282	0.000	1
2477	1	227	PRO	CB	C	32.593	0.001	1
2478	1	227	PRO	CG	C	27.321	0.000	1
2479	1	227	PRO	CD	C	50.760	0.000	1
2480	1	228	ALA	H	H	8.816	0.001	1
2481	1	228	ALA	HA	H	5.231	0.000	1
2482	1	228	ALA	HB1	H	0.192	0.000	1
2483	1	228	ALA	HB2	H	0.192	0.000	1
2484	1	228	ALA	HB3	H	0.192	0.000	1
2485	1	228	ALA	C	C	177.080	0.000	1
2486	1	228	ALA	CA	C	49.843	0.004	1
2487	1	228	ALA	CB	C	20.940	0.003	1
2488	1	228	ALA	N	N	124.141	0.001	1
2489	1	229	VAL	H	H	9.008	0.000	1
2490	1	229	VAL	HA	H	4.601	0.000	1
2491	1	229	VAL	HB	H	1.926	0.000	1
2492	1	229	VAL	HG11	H	0.850	0.000	1
2493	1	229	VAL	HG12	H	0.850	0.000	1
2494	1	229	VAL	HG13	H	0.850	0.000	1
2495	1	229	VAL	HG21	H	0.864	0.000	1
2496	1	229	VAL	HG22	H	0.864	0.000	1
2497	1	229	VAL	HG23	H	0.864	0.000	1
2498	1	229	VAL	C	C	174.085	0.001	1
2499	1	229	VAL	CA	C	61.146	0.000	1
2500	1	229	VAL	CB	C	34.456	0.001	1
2501	1	229	VAL	CG1	C	22.589	0.001	1
2502	1	229	VAL	CG2	C	21.347	0.000	1
2503	1	229	VAL	N	N	121.399	0.001	1
2504	1	230	VAL	H	H	9.332	0.000	1
2505	1	230	VAL	HA	H	4.356	0.000	1
2506	1	230	VAL	HB	H	1.889	0.000	1
2507	1	230	VAL	HG11	H	0.466	0.001	1
2508	1	230	VAL	HG12	H	0.466	0.001	1
2509	1	230	VAL	HG13	H	0.466	0.001	1
2510	1	230	VAL	HG21	H	0.982	0.000	1
2511	1	230	VAL	HG22	H	0.982	0.000	1
2512	1	230	VAL	HG23	H	0.982	0.000	1
2513	1	230	VAL	C	C	175.818	0.001	1
2514	1	230	VAL	CA	C	62.190	0.000	1
2515	1	230	VAL	CB	C	31.713	0.000	1
2516	1	230	VAL	CG1	C	21.906	0.003	1
2517	1	230	VAL	CG2	C	21.746	0.000	1
2518	1	230	VAL	N	N	129.491	0.000	1
2519	1	231	VAL	H	H	9.409	0.000	1
2520	1	231	VAL	HA	H	4.826	0.000	1
2521	1	231	VAL	HB	H	1.211	0.000	1
2522	1	231	VAL	HG11	H	0.298	0.000	2
2523	1	231	VAL	HG12	H	0.298	0.000	2
2524	1	231	VAL	HG13	H	0.298	0.000	2
2525	1	231	VAL	HG21	H	0.598	0.000	2
2526	1	231	VAL	HG22	H	0.598	0.000	2
2527	1	231	VAL	HG23	H	0.598	0.000	2
2528	1	231	VAL	C	C	173.341	0.000	1
2529	1	231	VAL	CA	C	59.633	0.000	1
2530	1	231	VAL	CB	C	34.814	0.004	1
2531	1	231	VAL	CG1	C	20.331	0.000	1
2532	1	231	VAL	CG2	C	22.875	0.000	1
2533	1	231	VAL	N	N	126.162	0.000	1
2534	1	232	SER	H	H	8.925	0.000	1
2535	1	232	SER	HA	H	5.023	0.000	1
2536	1	232	SER	HB2	H	3.651	0.001	1
2537	1	232	SER	HB3	H	3.793	0.001	1
2538	1	232	SER	C	C	174.912	0.000	1
2539	1	232	SER	CA	C	55.441	0.010	1
2540	1	232	SER	CB	C	64.345	0.004	1
2541	1	232	SER	N	N	115.301	0.000	1
2542	1	233	ALA	H	H	9.268	0.000	1
2543	1	233	ALA	HA	H	3.914	0.002	1
2544	1	233	ALA	HB1	H	1.361	0.000	1
2545	1	233	ALA	HB2	H	1.361	0.000	1
2546	1	233	ALA	HB3	H	1.361	0.000	1
2547	1	233	ALA	C	C	176.115	0.000	1
2548	1	233	ALA	CA	C	50.588	0.005	1
2549	1	233	ALA	CB	C	18.723	0.001	1
2550	1	233	ALA	N	N	128.124	0.000	1
2551	1	234	PRO	HA	H	4.022	0.000	1
2552	1	234	PRO	HB2	H	1.787	0.000	2
2553	1	234	PRO	HB3	H	2.183	0.000	2
2554	1	234	PRO	HG2	H	1.754	0.000	2
2555	1	234	PRO	HG3	H	1.754	0.000	2
2556	1	234	PRO	HD2	H	3.735	0.001	2
2557	1	234	PRO	HD3	H	3.735	0.001	2
2558	1	234	PRO	C	C	178.198	0.000	1
2559	1	234	PRO	CA	C	65.547	0.001	1
2560	1	234	PRO	CB	C	30.795	0.002	1
2561	1	234	PRO	CG	C	27.796	0.000	1
2562	1	234	PRO	CD	C	49.864	0.000	1
2563	1	235	GLY	H	H	8.404	0.001	1
2564	1	235	GLY	HA2	H	3.927	0.000	2
2565	1	235	GLY	HA3	H	4.056	0.002	2
2566	1	235	GLY	C	C	175.288	0.001	1
2567	1	235	GLY	CA	C	45.761	0.001	1
2568	1	235	GLY	N	N	103.880	0.003	1
2569	1	236	GLY	H	H	7.975	0.001	1
2570	1	236	GLY	HA2	H	3.496	0.001	2
2571	1	236	GLY	HA3	H	4.485	0.002	2
2572	1	236	GLY	C	C	174.372	0.001	1
2573	1	236	GLY	CA	C	44.761	0.005	1
2574	1	236	GLY	N	N	108.776	0.001	1
2575	1	237	GLU	H	H	9.758	0.001	1
2576	1	237	GLU	HA	H	4.806	0.000	1
2577	1	237	GLU	HB2	H	2.325	0.000	2
2578	1	237	GLU	HB3	H	2.325	0.000	2
2579	1	237	GLU	HG2	H	2.703	0.002	2
2580	1	237	GLU	HG3	H	2.703	0.002	2
2581	1	237	GLU	C	C	173.379	0.000	1
2582	1	237	GLU	CA	C	56.722	0.000	1
2583	1	237	GLU	CB	C	27.758	0.000	1
2584	1	237	GLU	CG	C	35.336	0.000	1
2585	1	237	GLU	N	N	123.732	0.000	1
2586	1	238	VAL	H	H	8.391	0.000	1
2587	1	238	VAL	HA	H	5.503	0.001	1
2588	1	238	VAL	HB	H	2.045	0.000	1
2589	1	238	VAL	HG11	H	0.255	0.000	1
2590	1	238	VAL	HG12	H	0.255	0.000	1
2591	1	238	VAL	HG13	H	0.255	0.000	1
2592	1	238	VAL	HG21	H	0.983	0.000	1
2593	1	238	VAL	HG22	H	0.983	0.000	1
2594	1	238	VAL	HG23	H	0.983	0.000	1
2595	1	238	VAL	C	C	175.613	0.000	1
2596	1	238	VAL	CA	C	61.393	0.003	1
2597	1	238	VAL	CB	C	34.920	0.002	1
2598	1	238	VAL	CG1	C	22.408	0.007	1
2599	1	238	VAL	CG2	C	22.169	0.000	1
2600	1	238	VAL	N	N	121.937	0.000	1
2601	1	239	PHE	H	H	8.957	0.000	1
2602	1	239	PHE	HA	H	5.051	0.000	1
2603	1	239	PHE	HB2	H	3.156	0.001	2
2604	1	239	PHE	HB3	H	3.348	0.000	2
2605	1	239	PHE	HD1	H	7.551	0.001	1
2606	1	239	PHE	HD2	H	7.551	0.001	1
2607	1	239	PHE	HE1	H	7.403	0.003	1
2608	1	239	PHE	HE2	H	7.403	0.003	1
2609	1	239	PHE	HZ	H	7.064	0.001	1
2610	1	239	PHE	C	C	170.416	0.003	1
2611	1	239	PHE	CA	C	56.400	0.007	1
2612	1	239	PHE	CB	C	41.639	0.001	1
2613	1	239	PHE	CD1	C	133.116	0.005	1
2614	1	239	PHE	CD2	C	133.116	0.000	1
2615	1	239	PHE	CE1	C	130.782	0.000	1
2616	1	239	PHE	CE2	C	130.782	0.005	1
2617	1	239	PHE	CZ	C	128.326	0.000	1
2618	1	239	PHE	N	N	121.706	0.000	1
2619	1	240	THR	H	H	9.048	0.000	1
2620	1	240	THR	HA	H	5.260	0.000	1
2621	1	240	THR	HB	H	4.291	0.000	1
2622	1	240	THR	HG21	H	0.908	0.000	1
2623	1	240	THR	HG22	H	0.908	0.000	1
2624	1	240	THR	HG23	H	0.908	0.000	1
2625	1	240	THR	C	C	173.954	0.001	1
2626	1	240	THR	CA	C	61.454	0.000	1
2627	1	240	THR	CB	C	70.221	0.003	1
2628	1	240	THR	CG2	C	21.429	0.000	1
2629	1	240	THR	N	N	116.945	0.002	1
2630	1	241	LEU	H	H	9.426	0.001	1
2631	1	241	LEU	HA	H	5.239	0.000	1
2632	1	241	LEU	HB2	H	1.200	0.000	2
2633	1	241	LEU	HB3	H	1.931	0.001	2
2634	1	241	LEU	HG	H	1.912	0.000	1
2635	1	241	LEU	HD11	H	0.764	0.000	1
2636	1	241	LEU	HD12	H	0.764	0.000	1
2637	1	241	LEU	HD13	H	0.764	0.000	1
2638	1	241	LEU	HD21	H	1.234	0.002	1
2639	1	241	LEU	HD22	H	1.234	0.002	1
2640	1	241	LEU	HD23	H	1.234	0.002	1
2641	1	241	LEU	C	C	174.679	0.000	1
2642	1	241	LEU	CA	C	52.911	0.006	1
2643	1	241	LEU	CB	C	44.299	0.000	1
2644	1	241	LEU	CG	C	26.453	0.003	1
2645	1	241	LEU	CD1	C	26.586	0.000	1
2646	1	241	LEU	CD2	C	25.640	0.004	1
2647	1	241	LEU	N	N	126.782	0.000	1
2648	1	242	LEU	H	H	8.632	0.000	1
2649	1	242	LEU	HA	H	4.861	0.000	1
2650	1	242	LEU	HB2	H	1.023	0.000	2
2651	1	242	LEU	HB3	H	1.505	0.000	2
2652	1	242	LEU	HG	H	1.221	0.000	1
2653	1	242	LEU	HD11	H	0.563	0.001	2
2654	1	242	LEU	HD12	H	0.563	0.001	2
2655	1	242	LEU	HD13	H	0.563	0.001	2
2656	1	242	LEU	HD21	H	0.641	0.000	2
2657	1	242	LEU	HD22	H	0.641	0.000	2
2658	1	242	LEU	HD23	H	0.641	0.000	2
2659	1	242	LEU	C	C	176.197	0.009	1
2660	1	242	LEU	CA	C	52.903	0.000	1
2661	1	242	LEU	CB	C	43.514	0.001	1
2662	1	242	LEU	CG	C	27.277	0.000	1
2663	1	242	LEU	CD1	C	23.905	0.001	1
2664	1	242	LEU	CD2	C	24.925	0.001	1
2665	1	242	LEU	N	N	125.469	0.001	1
2666	1	243	LEU	H	H	8.666	0.000	1
2667	1	243	LEU	HA	H	4.949	0.001	1
2668	1	243	LEU	HB2	H	1.233	0.000	2
2669	1	243	LEU	HB3	H	1.877	0.002	2
2670	1	243	LEU	HG	H	1.591	0.000	1
2671	1	243	LEU	HD11	H	0.828	0.000	1
2672	1	243	LEU	HD12	H	0.828	0.000	1
2673	1	243	LEU	HD13	H	0.828	0.000	1
2674	1	243	LEU	HD21	H	0.594	0.000	1
2675	1	243	LEU	HD22	H	0.594	0.000	1
2676	1	243	LEU	HD23	H	0.594	0.000	1
2677	1	243	LEU	C	C	177.600	0.001	1
2678	1	243	LEU	CA	C	54.230	0.001	1
2679	1	243	LEU	CB	C	40.530	0.006	1
2680	1	243	LEU	CG	C	26.434	0.000	1
2681	1	243	LEU	CD1	C	25.714	0.000	1
2682	1	243	LEU	CD2	C	23.130	0.000	1
2683	1	243	LEU	N	N	125.682	0.000	1
2684	1	244	THR	H	H	8.376	0.000	1
2685	1	244	THR	HA	H	4.490	0.005	1
2686	1	244	THR	HB	H	4.171	0.000	1
2687	1	244	THR	HG21	H	1.130	0.000	1
2688	1	244	THR	HG22	H	1.130	0.000	1
2689	1	244	THR	HG23	H	1.130	0.000	1
2690	1	244	THR	C	C	173.756	0.000	1
2691	1	244	THR	CA	C	61.258	0.001	1
2692	1	244	THR	CB	C	70.641	0.002	1
2693	1	244	THR	CG2	C	20.757	0.007	1
2694	1	244	THR	N	N	115.203	0.001	1
2695	1	245	ASP	H	H	8.129	0.000	1
2696	1	245	ASP	HA	H	4.478	0.003	1
2697	1	245	ASP	HB2	H	2.720	0.000	2
2698	1	245	ASP	HB3	H	2.531	0.000	2
2699	1	245	ASP	C	C	180.688	0.000	1
2700	1	245	ASP	CA	C	56.242	0.000	1
2701	1	245	ASP	CB	C	42.513	0.000	1
2702	1	245	ASP	N	N	128.186	0.001	1

Release date

2022-10-25

Citation

The solution structure of abxF, an enzyme catalyzing the formation of chiral spiroketal of an antibiotics, (-)-ABX
Jia, X., Yan, X., Mobli, M., Qu, X.

Related entities 1. Glyoxalase, : 1 : 1 : 1 : 3 entities Detail

Experiments performed 21 experiments Detail

1 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6, Details 1.25 mM [U-13C; U-15N] abxF, 5 % v/v [U-100% 2H] D2O, 95 % v/v H2O, 50 mM sodium chloride, 20 mM sodium phosphate, 3 mM sodium azide, 5 mM DTT, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

2 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

3 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

4 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

5 2D 1H-1H NOESY

Instrument

Bruker AVANCE - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6, Details 1.71 mM [U-100% 15N] abxF, 5 % v/v [U-100% 2H] D2O, 95 % v/v H2O, 50 mM sodium chloride, 20 mM sodium phosphate, 3 mM sodium azide, 5 mM DTT, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
8	abxF	[U-100% 15N]	1.71 mM
9	D2O	[U-100% 2H]	5 % v/v
10	H2O	natural abundance	95 % v/v
11	sodium chloride	natural abundance	50 mM
12	sodium phosphate	natural abundance	20 mM
13	sodium azide	natural abundance	3 mM
14	DTT	natural abundance	5 mM

6 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

7 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

8 3D 1H-15N NOESY

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

9 3D HNCO

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

10 3D HNCA

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

11 3D HNCACB

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

12 3D HBHA(CO)NH

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

13 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
8	abxF	[U-100% 15N]	1.71 mM
9	D2O	[U-100% 2H]	5 % v/v
10	H2O	natural abundance	95 % v/v
11	sodium chloride	natural abundance	50 mM
12	sodium phosphate	natural abundance	20 mM
13	sodium azide	natural abundance	3 mM
14	DTT	natural abundance	5 mM

14 3D CBCA(CO)NH

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

15 3D HN(CO)CA

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

16 3D HN(CA)CO

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

17 3D HCCH-TOCSY

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

18 3D HCCH-TOCSY

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

19 2D hbcbcgcdcehegp

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

20 2D hbcbcgcdhdgp

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

21 2d hbcbcgcchargp

Instrument

Bruker AVANCE - 900 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6, Details 1.25 mM [U-13C; U-15N] abxF, 5 % v/v [U-100% 2H] D2O, 95 % v/v H2O, 50 mM sodium chloride, 20 mM sodium phosphate, 3 mM sodium azide, 5 mM DTT, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	abxF	[U-13C; U-15N]	1.25 mM
2	D2O	[U-100% 2H]	5 % v/v
3	H2O	natural abundance	95 % v/v
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	3 mM
7	DTT	natural abundance	5 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr31044_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

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

None

Non-standard residues

None

Content subtype: bmr31044_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	2702		98.8 (chain: 1, length: 245)
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: 245, Sequence coverage: 98.8%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
GSHMSHDAVRPAPGEPTWVDLLTPDRGAALQFYSALFGWEFSTTSDGTSPYTMCRLRGREVCSIGDLGENPGPALGGWSSYLSVDDADAAAAAVPELGGA
  ||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
..HMSHDAVRPAPGEPTWV.LLTPDRGAALQFYSALFGWEFSTTSDGTSPYTMCRLRGREVCSIGDLGENPGPALGGWSSYLSVDDADAAAAAVPELGGA

-------110-------120-------130-------140-------150-------160-------170-------180-------190-------200
VLLGPIDILAQGRMLLAGDPSGHRVGLWQAKEHTGSGPDDGIGAYTRSELLTGASATDGAFYRGLFGADFATESGTDGGGRRAAIRQVGPAAPSGWYPCF
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
VLLGPIDILAQGRMLLAGDPSGHRVGLWQAKEHTGSGPDDGIGAYTRSELLTGASATDGAFYRGLFGADFATESGTDGGGRRAAIRQVGPAAPSGWYPCF

-------210-------220-------230-------240-----
RAQESAVPAAVMLGASVLLRYDCPDGPAVVVSAPGGEVFTLLLTD
|||||||||||||||||||||||||||||||||||||||||||||
RAQESAVPAAVMLGASVLLRYDCPDGPAVVVSAPGGEVFTLLLTD

Total number of assignments
- ¹H chemical shifts: 1500
- ¹³C chemical shifts: 962
- ¹⁵N chemical shifts: 240

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
26	ARG	CZ	173.631
26	ARG	NE	81.684
33	TYR	HH	12.211
55	ARG	NE	84.497
59	ARG	NE	85.005
113	ARG	NE	83.262
124	ARG	NE	84.04
162	TYR	HH	12.412
163	ARG	CZ	173.461
163	ARG	NE	86.322
182	ARG	NE	85.198
186	ARG	NE	88.699
220	ARG	NE	85.49

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1293	1216	94.0
¹³C chemical shifts	1021	960	94.0
¹⁵N chemical shifts	238	231	97.1

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	508	495	97.4
¹³C chemical shifts	490	473	96.5
¹⁵N chemical shifts	227	220	96.9

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	785	721	91.8
¹³C chemical shifts	531	487	91.7
¹⁵N chemical shifts	11	11	100.0

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	139	136	97.8
¹³C chemical shifts	139	136	97.8

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	106	77	72.6
¹³C chemical shifts	101	70	69.3
¹⁵N chemical shifts	5	5	100.0

Redox state of CYS
Peptide bond of PRO
Tautomeric state of HIS
Rotameric state of ILE , LEU, and VAL
Histogram of normalized assigned chemical shifts
Random coil index and derived parameters (S² and NMR RMSD)
- Chain_ID: 1

Keywords BIOSYNTHETIC PROTEIN, CYANA 3.98.13, catalysis, chiral spiroketal, enzyme

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Sequence chart about top aligned regions

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Found 1 Document (0.548 seconds)

BMRB: 31044

Related entities 1. Glyoxalase, : 1 : 1 : 1 : 3 entities Detail

Experiments performed 21 experiments Detail

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Chemical shift validation 3 contents Detail