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BMRB: 31065

8FKM

Backbone and sidechain resonance assignments of human Atg3 with deletions of resides 1 to 25 and residues 90 to 190

Authors

Ye, Y.S., Tian, F.

Assembly

Ubiquitin-like-conjugating enzyme ATG3 (E.C.2.3.2.-)

Entity

1. Ubiquitin-like-conjugating enzyme ATG3 (E.C.2.3.2.-) (polymer), 189 monomers, 22060.14 Da Detail

GSKFKETGVI TPEEFVAAGD HLVHHCPTWQ WATGEELKVK AYLPTGKQFL VTKNVPCYKR CKQMEEDAIL QTRTYDLYIT YDKYYQTPRL WLFGYDEQRQ PLTVEHMYED ISQDHVKKTV TIENHPHLPP PPMCSVHPCR HAEVMKKIIE TVAEGGGELG VHMYLLIFLK FVQAVIPTIE YDYTRHFTM

Formula weight

22060.14 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 1123, ¹³C: 804, ¹⁵N: 165 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Ambig. code
1	1	2	SER	HA	H	4.6100	1
2	1	2	SER	HB2	H	4.1400	1
3	1	2	SER	HB3	H	3.9330	1
4	1	2	SER	C	C	175.7800	1
5	1	2	SER	CA	C	58.3300	1
6	1	2	SER	CB	C	63.7600	1
7	1	3	LYS	H	H	9.0700	1
8	1	3	LYS	HA	H	4.6650	1
9	1	3	LYS	HB2	H	2.1730	1
10	1	3	LYS	HB3	H	1.8040	1
11	1	3	LYS	HG2	H	1.5250	1
12	1	3	LYS	HG3	H	1.6190	1
13	1	3	LYS	HD2	H	1.7600	1
14	1	3	LYS	HE2	H	3.0500	1
15	1	3	LYS	C	C	178.1100	1
16	1	3	LYS	CA	C	56.5400	1
17	1	3	LYS	CB	C	32.5700	1
18	1	3	LYS	CG	C	24.9200	1
19	1	3	LYS	CD	C	29.4000	1
20	1	3	LYS	CE	C	42.1300	1
21	1	3	LYS	N	N	125.9100	1
22	1	4	PHE	H	H	8.6640	1
23	1	4	PHE	HA	H	4.6520	1
24	1	4	PHE	HB2	H	3.3340	1
25	1	4	PHE	HB3	H	3.1790	1
26	1	4	PHE	HD1	H	7.3130	1
27	1	4	PHE	HE1	H	7.3360	1
28	1	4	PHE	HZ	H	7.2940	1
29	1	4	PHE	C	C	176.0800	1
30	1	4	PHE	CA	C	60.7700	1
31	1	4	PHE	CB	C	39.0800	1
32	1	4	PHE	CD1	C	132.4000	1
33	1	4	PHE	CE1	C	129.3000	1
34	1	4	PHE	N	N	123.6900	1
35	1	5	LYS	H	H	7.8870	1
36	1	5	LYS	HA	H	3.6620	1
37	1	5	LYS	HB2	H	1.6650	1
38	1	5	LYS	HG2	H	1.1660	1
39	1	5	LYS	HG3	H	1.1040	1
40	1	5	LYS	HD2	H	1.6580	1
41	1	5	LYS	HE2	H	3.0050	1
42	1	5	LYS	C	C	176.5800	1
43	1	5	LYS	CA	C	58.2200	1
44	1	5	LYS	CB	C	32.1300	1
45	1	5	LYS	CG	C	25.3600	1
46	1	5	LYS	CD	C	29.1700	1
47	1	5	LYS	CE	C	41.8200	1
48	1	5	LYS	N	N	117.8200	1
49	1	6	GLU	H	H	7.8980	1
50	1	6	GLU	HA	H	4.2640	1
51	1	6	GLU	HB2	H	2.1500	1
52	1	6	GLU	HG2	H	2.3280	1
53	1	6	GLU	C	C	177.7000	1
54	1	6	GLU	CA	C	57.8600	1
55	1	6	GLU	CB	C	31.1600	1
56	1	6	GLU	CG	C	36.6000	1
57	1	6	GLU	N	N	115.9900	1
58	1	7	THR	H	H	8.0820	1
59	1	7	THR	HA	H	4.5560	1
60	1	7	THR	HB	H	4.4280	1
61	1	7	THR	HG21	H	1.2730	1
62	1	7	THR	HG22	H	1.2730	1
63	1	7	THR	HG23	H	1.2730	1
64	1	7	THR	C	C	175.4300	1
65	1	7	THR	CA	C	61.5300	1
66	1	7	THR	CB	C	70.8400	1
67	1	7	THR	CG2	C	22.0900	1
68	1	7	THR	N	N	106.1900	1
69	1	8	GLY	H	H	8.4500	1
70	1	8	GLY	HA2	H	4.3320	1
71	1	8	GLY	HA3	H	3.8160	1
72	1	8	GLY	C	C	172.6500	1
73	1	8	GLY	CA	C	46.1000	1
74	1	8	GLY	N	N	110.5600	1
75	1	9	VAL	H	H	7.1830	1
76	1	9	VAL	HA	H	4.8100	1
77	1	9	VAL	HB	H	2.7230	1
78	1	9	VAL	HG11	H	0.8160	1
79	1	9	VAL	HG12	H	0.8160	1
80	1	9	VAL	HG13	H	0.8160	1
81	1	9	VAL	HG21	H	0.9630	1
82	1	9	VAL	HG22	H	0.9630	1
83	1	9	VAL	HG23	H	0.9630	1
84	1	9	VAL	C	C	175.5700	1
85	1	9	VAL	CA	C	60.5500	1
86	1	9	VAL	CB	C	32.3900	1
87	1	9	VAL	CG1	C	17.7200	1
88	1	9	VAL	CG2	C	21.6000	1
89	1	9	VAL	N	N	112.7000	1
90	1	10	ILE	H	H	8.6780	1
91	1	10	ILE	HA	H	5.2250	1
92	1	10	ILE	HB	H	1.9380	1
93	1	10	ILE	HG12	H	1.6200	1
94	1	10	ILE	HG21	H	0.4240	1
95	1	10	ILE	HG22	H	0.4240	1
96	1	10	ILE	HG23	H	0.4240	1
97	1	10	ILE	HD11	H	0.5430	1
98	1	10	ILE	HD12	H	0.5430	1
99	1	10	ILE	HD13	H	0.5430	1
100	1	10	ILE	C	C	176.5600	1
101	1	10	ILE	CA	C	58.8300	1
102	1	10	ILE	CB	C	43.2900	1
103	1	10	ILE	CG1	C	25.0000	1
104	1	10	ILE	CG2	C	19.3600	1
105	1	10	ILE	CD1	C	14.1000	1
106	1	10	ILE	N	N	111.7700	1
107	1	11	THR	H	H	9.3630	1
108	1	11	THR	HA	H	4.6450	1
109	1	11	THR	HB	H	4.8830	1
110	1	11	THR	HG21	H	1.4070	1
111	1	11	THR	HG22	H	1.4070	1
112	1	11	THR	HG23	H	1.4070	1
113	1	11	THR	C	C	173.5700	1
114	1	11	THR	CA	C	60.1100	1
115	1	11	THR	CB	C	68.2400	1
116	1	11	THR	CG2	C	22.0600	1
117	1	11	THR	N	N	116.1100	1
118	1	12	PRO	HA	H	3.3880	1
119	1	12	PRO	HB2	H	2.1300	1
120	1	12	PRO	HG2	H	1.8360	1
121	1	12	PRO	HD2	H	4.0380	1
122	1	12	PRO	C	C	177.8700	1
123	1	12	PRO	CA	C	65.9500	1
124	1	12	PRO	CB	C	31.8700	1
125	1	12	PRO	CG	C	28.2800	1
126	1	12	PRO	CD	C	50.1900	1
127	1	13	GLU	H	H	8.5210	1
128	1	13	GLU	HA	H	3.9900	1
129	1	13	GLU	HB2	H	2.1380	1
130	1	13	GLU	HB3	H	1.9840	1
131	1	13	GLU	HG2	H	2.5110	1
132	1	13	GLU	HG3	H	2.3300	1
133	1	13	GLU	C	C	180.2600	1
134	1	13	GLU	CA	C	60.5900	1
135	1	13	GLU	CB	C	28.9000	1
136	1	13	GLU	CG	C	37.5200	1
137	1	13	GLU	N	N	115.6200	1
138	1	14	GLU	H	H	7.7950	1
139	1	14	GLU	HA	H	3.9720	1
140	1	14	GLU	HB2	H	2.1000	1
141	1	14	GLU	HG2	H	2.3900	1
142	1	14	GLU	HG3	H	2.5340	1
143	1	14	GLU	C	C	178.1500	1
144	1	14	GLU	CA	C	58.7700	1
145	1	14	GLU	CB	C	29.4500	1
146	1	14	GLU	CG	C	36.6500	1
147	1	14	GLU	N	N	122.5900	1
148	1	15	PHE	H	H	8.4930	1
149	1	15	PHE	HA	H	3.9750	1
150	1	15	PHE	HB2	H	3.3260	1
151	1	15	PHE	HB3	H	2.7770	1
152	1	15	PHE	HD1	H	7.2050	1
153	1	15	PHE	HE1	H	7.2000	1
154	1	15	PHE	C	C	176.8000	1
155	1	15	PHE	CA	C	62.0900	1
156	1	15	PHE	CB	C	38.7700	1
157	1	15	PHE	CD1	C	130.9000	1
158	1	15	PHE	CE1	C	129.3320	1
159	1	15	PHE	N	N	120.7300	1
160	1	16	VAL	H	H	8.0830	1
161	1	16	VAL	HA	H	3.9040	1
162	1	16	VAL	HB	H	2.0900	1
163	1	16	VAL	HG21	H	1.1120	1
164	1	16	VAL	HG22	H	1.1120	1
165	1	16	VAL	HG23	H	1.1120	1
166	1	16	VAL	C	C	177.7000	1
167	1	16	VAL	CA	C	66.3900	1
168	1	16	VAL	CB	C	32.0000	1
169	1	16	VAL	CG2	C	23.9000	1
170	1	16	VAL	N	N	118.9500	1
171	1	17	ALA	H	H	7.8120	1
172	1	17	ALA	HA	H	4.3450	1
173	1	17	ALA	HB1	H	1.5340	1
174	1	17	ALA	HB2	H	1.5340	1
175	1	17	ALA	HB3	H	1.5340	1
176	1	17	ALA	C	C	181.6300	1
177	1	17	ALA	CA	C	55.4800	1
178	1	17	ALA	CB	C	17.8500	1
179	1	17	ALA	N	N	121.9000	1
180	1	18	ALA	H	H	8.8200	1
181	1	18	ALA	HA	H	4.8560	1
182	1	18	ALA	HB1	H	1.6150	1
183	1	18	ALA	HB2	H	1.6150	1
184	1	18	ALA	HB3	H	1.6150	1
185	1	18	ALA	C	C	181.5200	1
186	1	18	ALA	CA	C	53.9500	1
187	1	18	ALA	CB	C	18.4200	1
188	1	18	ALA	N	N	121.5100	1
189	1	19	GLY	H	H	9.2610	1
190	1	19	GLY	HA2	H	3.5810	1
191	1	19	GLY	HA3	H	3.3290	1
192	1	19	GLY	C	C	174.2500	1
193	1	19	GLY	CA	C	47.8600	1
194	1	19	GLY	N	N	113.1100	1
195	1	20	ASP	H	H	9.5000	1
196	1	20	ASP	HA	H	4.7230	1
197	1	20	ASP	HB2	H	3.0300	1
198	1	20	ASP	HB3	H	2.7240	1
199	1	20	ASP	C	C	179.2600	1
200	1	20	ASP	CA	C	57.5900	1
201	1	20	ASP	CB	C	39.9200	1
202	1	20	ASP	N	N	122.5300	1
203	1	21	HIS	H	H	7.8910	1
204	1	21	HIS	HA	H	4.5020	1
205	1	21	HIS	HB2	H	3.6380	1
206	1	21	HIS	HB3	H	3.2770	1
207	1	21	HIS	HD2	H	6.8200	1
208	1	21	HIS	HE1	H	7.8800	1
209	1	21	HIS	C	C	177.4500	1
210	1	21	HIS	CA	C	60.7600	1
211	1	21	HIS	CB	C	31.8600	1
212	1	21	HIS	CD2	C	119.7600	1
213	1	21	HIS	N	N	120.3400	1
214	1	22	LEU	H	H	7.8360	1
215	1	22	LEU	HA	H	3.9950	1
216	1	22	LEU	HB2	H	2.0220	1
217	1	22	LEU	HB3	H	1.2090	1
218	1	22	LEU	HD11	H	0.5590	1
219	1	22	LEU	HD12	H	0.5590	1
220	1	22	LEU	HD13	H	0.5590	1
221	1	22	LEU	HD21	H	-0.1950	1
222	1	22	LEU	HD22	H	-0.1950	1
223	1	22	LEU	HD23	H	-0.1950	1
224	1	22	LEU	C	C	177.1200	1
225	1	22	LEU	CA	C	59.1800	1
226	1	22	LEU	CB	C	42.6800	1
227	1	22	LEU	CD1	C	24.0600	1
228	1	22	LEU	CD2	C	26.1900	1
229	1	22	LEU	N	N	120.0800	1
230	1	23	VAL	H	H	8.3720	1
231	1	23	VAL	HA	H	3.7960	1
232	1	23	VAL	HB	H	2.2000	1
233	1	23	VAL	HG11	H	0.8730	1
234	1	23	VAL	HG12	H	0.8730	1
235	1	23	VAL	HG13	H	0.8730	1
236	1	23	VAL	HG21	H	0.7720	1
237	1	23	VAL	HG22	H	0.7720	1
238	1	23	VAL	HG23	H	0.7720	1
239	1	23	VAL	C	C	178.0000	1
240	1	23	VAL	CA	C	65.0900	1
241	1	23	VAL	CB	C	31.6200	1
242	1	23	VAL	CG1	C	21.2100	1
243	1	23	VAL	CG2	C	21.3500	1
244	1	23	VAL	N	N	115.1100	1
245	1	24	HIS	H	H	7.7320	1
246	1	24	HIS	HA	H	4.2890	1
247	1	24	HIS	HB2	H	3.2530	1
248	1	24	HIS	HB3	H	3.1000	1
249	1	24	HIS	HD2	H	7.3920	1
250	1	24	HIS	C	C	176.6100	1
251	1	24	HIS	CA	C	58.4800	1
252	1	24	HIS	CB	C	29.4000	1
253	1	24	HIS	N	N	116.4300	1
254	1	25	HIS	H	H	7.7760	1
255	1	25	HIS	HA	H	4.3220	1
256	1	25	HIS	HB2	H	3.2760	1
257	1	25	HIS	HB3	H	2.8750	1
258	1	25	HIS	HD2	H	6.6530	1
259	1	25	HIS	C	C	175.8900	1
260	1	25	HIS	CA	C	59.1700	1
261	1	25	HIS	CB	C	31.7200	1
262	1	25	HIS	CD2	C	120.6000	1
263	1	25	HIS	N	N	115.1700	1
264	1	26	CYS	H	H	8.9690	1
265	1	26	CYS	HA	H	5.0220	1
266	1	26	CYS	HB2	H	3.1900	1
267	1	26	CYS	C	C	172.3400	1
268	1	26	CYS	CA	C	56.2100	1
269	1	26	CYS	CB	C	29.4000	1
270	1	26	CYS	N	N	118.5800	1
271	1	27	PRO	HA	H	5.1190	1
272	1	27	PRO	HB2	H	2.4940	1
273	1	27	PRO	HB3	H	2.2200	1
274	1	27	PRO	HG2	H	1.9440	1
275	1	27	PRO	HD2	H	3.7580	1
276	1	27	PRO	HD3	H	3.4540	1
277	1	27	PRO	C	C	177.7300	1
278	1	27	PRO	CA	C	65.0400	1
279	1	27	PRO	CB	C	31.6800	1
280	1	27	PRO	CG	C	27.0000	1
281	1	27	PRO	CD	C	50.6300	1
282	1	28	THR	H	H	7.6410	1
283	1	28	THR	HA	H	4.2890	1
284	1	28	THR	HB	H	4.2810	1
285	1	28	THR	HG21	H	1.3600	1
286	1	28	THR	HG22	H	1.3600	1
287	1	28	THR	HG23	H	1.3600	1
288	1	28	THR	C	C	176.7700	1
289	1	28	THR	CA	C	63.8000	1
290	1	28	THR	CB	C	68.1670	1
291	1	28	THR	CG2	C	22.7200	1
292	1	28	THR	N	N	110.3800	1
293	1	29	TRP	H	H	9.0040	1
294	1	29	TRP	HA	H	5.0490	1
295	1	29	TRP	HB2	H	3.2080	1
296	1	29	TRP	HB3	H	2.7500	1
297	1	29	TRP	HD1	H	7.3550	1
298	1	29	TRP	HE1	H	10.7240	1
299	1	29	TRP	HE3	H	7.6610	1
300	1	29	TRP	HZ2	H	7.0840	1
301	1	29	TRP	HZ3	H	6.6250	1
302	1	29	TRP	HH2	H	6.6800	1
303	1	29	TRP	C	C	174.4900	1
304	1	29	TRP	CA	C	56.9700	1
305	1	29	TRP	CB	C	30.4800	1
306	1	29	TRP	CD1	C	128.1100	1
307	1	29	TRP	CE3	C	120.9600	1
308	1	29	TRP	CZ2	C	114.5500	1
309	1	29	TRP	CZ3	C	122.2000	1
310	1	29	TRP	CH2	C	123.5400	1
311	1	29	TRP	N	N	127.9200	1
312	1	29	TRP	NE1	N	128.7700	1
313	1	30	GLN	H	H	8.8010	1
314	1	30	GLN	HA	H	4.7930	1
315	1	30	GLN	HB2	H	2.4610	1
316	1	30	GLN	HB3	H	2.3670	1
317	1	30	GLN	HG2	H	1.9850	1
318	1	30	GLN	C	C	175.4300	1
319	1	30	GLN	CA	C	53.8500	1
320	1	30	GLN	CB	C	34.0800	1
321	1	30	GLN	CG	C	34.0000	1
322	1	30	GLN	N	N	115.0300	1
323	1	31	TRP	H	H	8.6000	1
324	1	31	TRP	HA	H	5.2040	1
325	1	31	TRP	HB2	H	3.7070	1
326	1	31	TRP	HB3	H	3.0650	1
327	1	31	TRP	HD1	H	7.3330	1
328	1	31	TRP	HE1	H	10.5020	1
329	1	31	TRP	HE3	H	7.1840	1
330	1	31	TRP	HZ2	H	7.8610	1
331	1	31	TRP	HZ3	H	6.7860	1
332	1	31	TRP	HH2	H	6.5420	1
333	1	31	TRP	C	C	177.1000	1
334	1	31	TRP	CA	C	57.6900	1
335	1	31	TRP	CB	C	32.4000	1
336	1	31	TRP	CD1	C	126.9500	1
337	1	31	TRP	CE3	C	120.2100	1
338	1	31	TRP	CZ2	C	114.3900	1
339	1	31	TRP	CZ3	C	121.4450	1
340	1	31	TRP	CH2	C	123.9300	1
341	1	31	TRP	N	N	120.5200	1
342	1	31	TRP	NE1	N	128.3100	1
343	1	32	ALA	H	H	9.0560	1
344	1	32	ALA	HA	H	4.6270	1
345	1	32	ALA	HB1	H	0.7870	1
346	1	32	ALA	HB2	H	0.7870	1
347	1	32	ALA	HB3	H	0.7870	1
348	1	32	ALA	C	C	175.3300	1
349	1	32	ALA	CA	C	51.1800	1
350	1	32	ALA	CB	C	23.5400	1
351	1	32	ALA	N	N	123.6200	1
352	1	33	THR	H	H	7.9850	1
353	1	33	THR	HA	H	4.1360	1
354	1	33	THR	HB	H	3.8900	1
355	1	33	THR	HG21	H	1.2820	1
356	1	33	THR	HG22	H	1.2820	1
357	1	33	THR	HG23	H	1.2820	1
358	1	33	THR	C	C	174.4200	1
359	1	33	THR	CA	C	64.7200	1
360	1	33	THR	CB	C	71.4500	1
361	1	33	THR	CG2	C	21.6200	1
362	1	33	THR	N	N	114.6700	1
363	1	34	GLY	H	H	8.1760	1
364	1	34	GLY	HA2	H	4.4300	1
365	1	34	GLY	HA3	H	4.0410	1
366	1	34	GLY	C	C	173.3600	1
367	1	34	GLY	CA	C	44.4900	1
368	1	34	GLY	N	N	107.3400	1
369	1	35	GLU	H	H	8.7060	1
370	1	35	GLU	HA	H	4.2210	1
371	1	35	GLU	HB2	H	2.0710	1
372	1	35	GLU	HB3	H	2.2020	1
373	1	35	GLU	HG2	H	2.3580	1
374	1	35	GLU	HG3	H	2.3290	1
375	1	35	GLU	C	C	179.5300	1
376	1	35	GLU	CA	C	57.2600	1
377	1	35	GLU	CB	C	29.7100	1
378	1	35	GLU	CG	C	36.4500	1
379	1	35	GLU	N	N	119.9900	1
380	1	36	GLU	H	H	9.2150	1
381	1	36	GLU	HA	H	3.9570	1
382	1	36	GLU	HB2	H	2.1590	1
383	1	36	GLU	HB3	H	2.0850	1
384	1	36	GLU	HG2	H	2.3900	1
385	1	36	GLU	HG3	H	2.3100	1
386	1	36	GLU	C	C	178.8000	1
387	1	36	GLU	CA	C	60.2400	1
388	1	36	GLU	CB	C	29.7200	1
389	1	36	GLU	CG	C	36.6800	1
390	1	36	GLU	N	N	127.9800	1
391	1	37	LEU	H	H	8.6360	1
392	1	37	LEU	HA	H	4.3320	1
393	1	37	LEU	HB2	H	1.7310	1
394	1	37	LEU	HB3	H	1.6550	1
395	1	37	LEU	HG	H	1.7870	1
396	1	37	LEU	HD11	H	0.9760	1
397	1	37	LEU	HD12	H	0.9760	1
398	1	37	LEU	HD13	H	0.9760	1
399	1	37	LEU	HD21	H	0.9490	1
400	1	37	LEU	HD22	H	0.9490	1
401	1	37	LEU	HD23	H	0.9490	1
402	1	37	LEU	C	C	177.8100	1
403	1	37	LEU	CA	C	56.2700	1
404	1	37	LEU	CB	C	41.6500	1
405	1	37	LEU	CG	C	27.2700	1
406	1	37	LEU	CD1	C	24.5800	1
407	1	37	LEU	CD2	C	23.0100	1
408	1	37	LEU	N	N	116.2700	1
409	1	38	LYS	H	H	7.6600	1
410	1	38	LYS	HA	H	4.4410	1
411	1	38	LYS	HB2	H	1.6360	1
412	1	38	LYS	HG2	H	1.2540	1
413	1	38	LYS	HG3	H	1.1430	1
414	1	38	LYS	HE2	H	3.0820	1
415	1	38	LYS	C	C	174.6400	1
416	1	38	LYS	CA	C	55.5700	1
417	1	38	LYS	CB	C	33.3000	1
418	1	38	LYS	CG	C	26.3100	1
419	1	38	LYS	CD	C	28.8000	1
420	1	38	LYS	CE	C	41.9900	1
421	1	38	LYS	N	N	117.1500	1
422	1	39	VAL	H	H	6.9380	1
423	1	39	VAL	HA	H	4.0610	1
424	1	39	VAL	HB	H	2.0180	1
425	1	39	VAL	HG11	H	0.9370	1
426	1	39	VAL	HG12	H	0.9370	1
427	1	39	VAL	HG13	H	0.9370	1
428	1	39	VAL	HG21	H	1.1080	1
429	1	39	VAL	HG22	H	1.1080	1
430	1	39	VAL	HG23	H	1.1080	1
431	1	39	VAL	C	C	177.3400	1
432	1	39	VAL	CA	C	63.5800	1
433	1	39	VAL	CB	C	32.8200	1
434	1	39	VAL	CG1	C	21.8900	1
435	1	39	VAL	CG2	C	23.3700	1
436	1	39	VAL	N	N	120.5000	1
437	1	40	LYS	H	H	10.1740	1
438	1	40	LYS	HA	H	4.5230	1
439	1	40	LYS	HB2	H	1.6370	1
440	1	40	LYS	HB3	H	0.7680	1
441	1	40	LYS	HG2	H	1.7470	1
442	1	40	LYS	HD2	H	2.1450	1
443	1	40	LYS	HE2	H	3.1350	1
444	1	40	LYS	C	C	177.9600	1
445	1	40	LYS	CA	C	52.9000	1
446	1	40	LYS	CB	C	32.5100	1
447	1	40	LYS	CG	C	24.3200	1
448	1	40	LYS	CD	C	28.2000	1
449	1	40	LYS	CE	C	42.0000	1
450	1	40	LYS	N	N	128.6300	1
451	1	41	ALA	H	H	8.8060	1
452	1	41	ALA	HA	H	4.2100	1
453	1	41	ALA	HB1	H	1.5340	1
454	1	41	ALA	HB2	H	1.5340	1
455	1	41	ALA	HB3	H	1.5340	1
456	1	41	ALA	C	C	176.9400	1
457	1	41	ALA	CA	C	54.0200	1
458	1	41	ALA	CB	C	18.7100	1
459	1	41	ALA	N	N	124.1600	1
460	1	42	TYR	H	H	6.3180	1
461	1	42	TYR	HA	H	4.6660	1
462	1	42	TYR	HB2	H	3.5660	1
463	1	42	TYR	HB3	H	2.9760	1
464	1	42	TYR	HD1	H	7.2200	1
465	1	42	TYR	HE1	H	7.1300	1
466	1	42	TYR	C	C	174.1900	1
467	1	42	TYR	CA	C	55.3100	1
468	1	42	TYR	CB	C	36.5700	1
469	1	42	TYR	CD1	C	133.8600	1
470	1	42	TYR	CE1	C	118.7100	1
471	1	42	TYR	N	N	108.4600	1
472	1	43	LEU	H	H	7.3620	1
473	1	43	LEU	HA	H	4.9000	1
474	1	43	LEU	HB2	H	1.8100	1
475	1	43	LEU	HB3	H	1.3900	1
476	1	43	LEU	HG	H	1.3290	1
477	1	43	LEU	HD11	H	1.3910	1
478	1	43	LEU	HD12	H	1.3910	1
479	1	43	LEU	HD13	H	1.3910	1
480	1	43	LEU	HD21	H	1.1750	1
481	1	43	LEU	HD22	H	1.1750	1
482	1	43	LEU	HD23	H	1.1750	1
483	1	43	LEU	C	C	172.6100	1
484	1	43	LEU	CA	C	52.1300	1
485	1	43	LEU	CB	C	43.4000	1
486	1	43	LEU	CG	C	27.1000	1
487	1	43	LEU	CD1	C	26.8700	1
488	1	43	LEU	CD2	C	24.8100	1
489	1	43	LEU	N	N	124.5100	1
490	1	44	PRO	HA	H	4.4080	1
491	1	44	PRO	HB2	H	2.3400	1
492	1	44	PRO	HB3	H	1.3520	1
493	1	44	PRO	HG2	H	2.0120	1
494	1	44	PRO	HD2	H	3.8550	1
495	1	44	PRO	HD3	H	3.4270	1
496	1	44	PRO	C	C	179.7300	1
497	1	44	PRO	CA	C	61.8500	1
498	1	44	PRO	CB	C	30.9900	1
499	1	44	PRO	CG	C	27.6600	1
500	1	44	PRO	CD	C	50.0800	1
501	1	45	THR	H	H	8.9310	1
502	1	45	THR	HA	H	3.7470	1
503	1	45	THR	HB	H	4.0240	1
504	1	45	THR	HG21	H	1.2770	1
505	1	45	THR	HG22	H	1.2770	1
506	1	45	THR	HG23	H	1.2770	1
507	1	45	THR	C	C	175.0300	1
508	1	45	THR	CA	C	67.2300	1
509	1	45	THR	CB	C	68.5600	1
510	1	45	THR	CG2	C	22.4800	1
511	1	45	THR	N	N	123.6000	1
512	1	46	GLY	H	H	8.4640	1
513	1	46	GLY	HA2	H	3.8630	1
514	1	46	GLY	HA3	H	3.4600	1
515	1	46	GLY	C	C	173.0400	1
516	1	46	GLY	CA	C	44.5600	1
517	1	46	GLY	N	N	104.5700	1
518	1	47	LYS	H	H	7.3220	1
519	1	47	LYS	HA	H	4.0190	1
520	1	47	LYS	HB2	H	2.1250	1
521	1	47	LYS	C	C	170.9100	1
522	1	47	LYS	CA	C	54.6200	1
523	1	47	LYS	CB	C	32.6100	1
524	1	47	LYS	CG	C	24.6000	1
525	1	47	LYS	N	N	121.1000	1
526	1	48	GLN	H	H	6.8280	1
527	1	48	GLN	HA	H	4.3570	1
528	1	48	GLN	HB2	H	2.1950	1
529	1	48	GLN	HG2	H	2.4250	1
530	1	48	GLN	C	C	175.8200	1
531	1	48	GLN	CA	C	56.2000	1
532	1	48	GLN	CB	C	29.4000	1
533	1	48	GLN	CG	C	34.0000	1
534	1	48	GLN	N	N	113.7500	1
535	1	49	PHE	H	H	7.7930	1
536	1	49	PHE	HA	H	5.4200	1
537	1	49	PHE	HB2	H	3.6890	1
538	1	49	PHE	HB3	H	3.3520	1
539	1	49	PHE	HD1	H	6.8650	1
540	1	49	PHE	HE1	H	7.1250	1
541	1	49	PHE	C	C	171.4900	1
542	1	49	PHE	CA	C	55.9600	1
543	1	49	PHE	CB	C	41.0700	1
544	1	49	PHE	CD1	C	132.7000	1
545	1	49	PHE	N	N	108.2500	1
546	1	50	LEU	H	H	9.1460	1
547	1	50	LEU	HA	H	5.4890	1
548	1	50	LEU	HB2	H	1.7230	1
549	1	50	LEU	HB3	H	1.5330	1
550	1	50	LEU	HG	H	0.8300	1
551	1	50	LEU	HD11	H	0.0740	1
552	1	50	LEU	HD12	H	0.0740	1
553	1	50	LEU	HD13	H	0.0740	1
554	1	50	LEU	HD21	H	-0.4910	1
555	1	50	LEU	HD22	H	-0.4910	1
556	1	50	LEU	HD23	H	-0.4910	1
557	1	50	LEU	C	C	177.0000	1
558	1	50	LEU	CA	C	53.9000	1
559	1	50	LEU	CB	C	46.2000	1
560	1	50	LEU	CD1	C	27.2500	1
561	1	50	LEU	CD2	C	25.1600	1
562	1	50	LEU	N	N	120.8200	1
563	1	51	VAL	H	H	9.6140	1
564	1	51	VAL	HA	H	5.7340	1
565	1	51	VAL	HB	H	2.3200	1
566	1	51	VAL	HG11	H	0.9990	1
567	1	51	VAL	HG12	H	0.9990	1
568	1	51	VAL	HG13	H	0.9990	1
569	1	51	VAL	HG21	H	0.6020	1
570	1	51	VAL	HG22	H	0.6020	1
571	1	51	VAL	HG23	H	0.6020	1
572	1	51	VAL	C	C	173.0300	1
573	1	51	VAL	CA	C	58.9000	1
574	1	51	VAL	CB	C	35.9200	1
575	1	51	VAL	CG1	C	19.1500	1
576	1	51	VAL	CG2	C	23.5200	1
577	1	51	VAL	N	N	119.8600	1
578	1	52	THR	H	H	8.5520	1
579	1	52	THR	HA	H	4.5750	1
580	1	52	THR	HB	H	2.3530	1
581	1	52	THR	HG21	H	0.0710	1
582	1	52	THR	HG22	H	0.0710	1
583	1	52	THR	HG23	H	0.0710	1
584	1	52	THR	C	C	171.3100	1
585	1	52	THR	CA	C	60.0800	1
586	1	52	THR	CB	C	70.6100	1
587	1	52	THR	CG2	C	18.8000	1
588	1	52	THR	N	N	124.3300	1
589	1	53	LYS	H	H	8.0750	1
590	1	53	LYS	HA	H	5.1070	1
591	1	53	LYS	HB2	H	1.7270	1
592	1	53	LYS	HB3	H	1.6390	1
593	1	53	LYS	HG2	H	1.4060	1
594	1	53	LYS	HG3	H	1.1500	1
595	1	53	LYS	HD2	H	1.6450	1
596	1	53	LYS	HD3	H	1.5970	1
597	1	53	LYS	HE2	H	2.9200	1
598	1	53	LYS	C	C	176.5900	1
599	1	53	LYS	CA	C	54.9200	1
600	1	53	LYS	CB	C	36.0300	1
601	1	53	LYS	CG	C	25.8000	1
602	1	53	LYS	CD	C	29.2100	1
603	1	53	LYS	CE	C	42.0800	1
604	1	53	LYS	N	N	124.3800	1
605	1	54	ASN	H	H	8.6230	1
606	1	54	ASN	HA	H	4.0950	1
607	1	54	ASN	HB2	H	2.9950	1
608	1	54	ASN	HB3	H	2.7430	1
609	1	54	ASN	C	C	174.3800	1
610	1	54	ASN	CA	C	54.3700	1
611	1	54	ASN	CB	C	37.6100	1
612	1	54	ASN	N	N	117.3000	1
613	1	55	VAL	H	H	9.7300	1
614	1	55	VAL	HA	H	4.2440	1
615	1	55	VAL	HB	H	2.2400	1
616	1	55	VAL	HG11	H	0.9480	1
617	1	55	VAL	HG12	H	0.9480	1
618	1	55	VAL	HG13	H	0.9480	1
619	1	55	VAL	HG21	H	0.8900	1
620	1	55	VAL	HG22	H	0.8900	1
621	1	55	VAL	HG23	H	0.8900	1
622	1	55	VAL	C	C	174.8800	1
623	1	55	VAL	CA	C	60.4300	1
624	1	55	VAL	CB	C	31.9200	1
625	1	55	VAL	CG1	C	22.5300	1
626	1	55	VAL	CG2	C	22.8300	1
627	1	55	VAL	N	N	122.5800	1
628	1	56	PRO	HA	H	4.5640	1
629	1	56	PRO	HB2	H	1.3000	1
630	1	56	PRO	HB3	H	2.1930	1
631	1	56	PRO	HG2	H	2.1440	1
632	1	56	PRO	HD2	H	4.0500	1
633	1	56	PRO	HD3	H	3.7700	1
634	1	56	PRO	C	C	175.1300	1
635	1	56	PRO	CA	C	63.4700	1
636	1	56	PRO	CB	C	33.0900	1
637	1	56	PRO	CG	C	27.5500	1
638	1	56	PRO	CD	C	50.5400	1
639	1	57	CYS	H	H	8.0760	1
640	1	57	CYS	HA	H	4.9090	1
641	1	57	CYS	HB2	H	2.7510	1
642	1	57	CYS	HB3	H	2.3930	1
643	1	57	CYS	C	C	174.7600	1
644	1	57	CYS	CA	C	57.5400	1
645	1	57	CYS	CB	C	28.2700	1
646	1	57	CYS	N	N	120.6400	1
647	1	58	TYR	H	H	9.5080	1
648	1	58	TYR	HA	H	4.6090	1
649	1	58	TYR	HB2	H	3.3900	1
650	1	58	TYR	HB3	H	2.9200	1
651	1	58	TYR	HD1	H	7.4170	1
652	1	58	TYR	HE1	H	6.8760	1
653	1	58	TYR	C	C	174.6600	1
654	1	58	TYR	CA	C	60.5700	1
655	1	58	TYR	CB	C	39.5800	1
656	1	58	TYR	CD1	C	133.6300	1
657	1	58	TYR	CE1	C	118.2000	1
658	1	58	TYR	N	N	127.4900	1
659	1	59	LYS	H	H	7.4990	1
660	1	59	LYS	HA	H	4.8140	1
661	1	59	LYS	HB2	H	1.9950	1
662	1	59	LYS	HG2	H	1.5870	1
663	1	59	LYS	HD2	H	1.7550	1
664	1	59	LYS	HE2	H	3.0400	1
665	1	59	LYS	C	C	174.1800	1
666	1	59	LYS	CA	C	54.0800	1
667	1	59	LYS	CB	C	34.0300	1
668	1	59	LYS	CG	C	24.3000	1
669	1	59	LYS	CD	C	29.3000	1
670	1	59	LYS	CE	C	41.9700	1
671	1	59	LYS	N	N	114.6000	1
672	1	60	ARG	H	H	8.4780	1
673	1	60	ARG	HA	H	5.2480	1
674	1	60	ARG	HB2	H	1.9500	1
675	1	60	ARG	HB3	H	2.1280	1
676	1	60	ARG	HG2	H	1.7140	1
677	1	60	ARG	HG3	H	2.0120	1
678	1	60	ARG	C	C	177.6100	1
679	1	60	ARG	CA	C	53.7000	1
680	1	60	ARG	CB	C	33.0000	1
681	1	60	ARG	CG	C	24.9000	1
682	1	60	ARG	CD	C	43.3000	1
683	1	60	ARG	N	N	118.5000	1
684	1	61	CYS	H	H	8.4400	1
685	1	61	CYS	HA	H	4.2760	1
686	1	61	CYS	HB2	H	2.9580	1
687	1	61	CYS	C	C	175.6900	1
688	1	61	CYS	CA	C	61.8200	1
689	1	61	CYS	CB	C	26.7400	1
690	1	61	CYS	N	N	118.9500	1
691	1	62	LYS	H	H	8.1610	1
692	1	62	LYS	HA	H	4.3570	1
693	1	62	LYS	HB2	H	1.9030	1
694	1	62	LYS	HG2	H	1.5150	1
695	1	62	LYS	HD2	H	1.7860	1
696	1	62	LYS	HE2	H	3.0440	1
697	1	62	LYS	C	C	175.8200	1
698	1	62	LYS	CA	C	56.2000	1
699	1	62	LYS	CB	C	33.1000	1
700	1	62	LYS	CG	C	24.8000	1
701	1	62	LYS	CD	C	29.3000	1
702	1	62	LYS	CE	C	41.8600	1
703	1	62	LYS	N	N	119.1900	1
704	1	63	GLN	H	H	8.2510	1
705	1	63	GLN	HA	H	4.3520	1
706	1	63	GLN	HB2	H	2.0750	1
707	1	63	GLN	HG2	H	2.4250	1
708	1	63	GLN	C	C	175.2600	1
709	1	63	GLN	CA	C	56.2300	1
710	1	63	GLN	CB	C	29.2200	1
711	1	63	GLN	CG	C	34.0000	1
712	1	63	GLN	N	N	122.4000	1
713	1	64	MET	H	H	8.5470	1
714	1	64	MET	HA	H	4.5950	1
715	1	64	MET	HB2	H	2.0860	1
716	1	64	MET	HB3	H	2.2200	1
717	1	64	MET	HG2	H	2.6900	1
718	1	64	MET	HG3	H	2.6400	1
719	1	64	MET	HE1	H	2.1440	1
720	1	64	MET	HE2	H	2.1440	1
721	1	64	MET	HE3	H	2.1440	1
722	1	64	MET	C	C	176.3400	1
723	1	64	MET	CA	C	55.3600	1
724	1	64	MET	CB	C	33.0700	1
725	1	64	MET	CG	C	32.0700	1
726	1	64	MET	CE	C	17.1100	1
727	1	64	MET	N	N	123.6700	1
728	1	65	GLU	H	H	8.6830	1
729	1	65	GLU	HA	H	4.3400	1
730	1	65	GLU	HB2	H	2.1300	1
731	1	65	GLU	HB3	H	2.0410	1
732	1	65	GLU	HG2	H	2.3610	1
733	1	65	GLU	C	C	176.9100	1
734	1	65	GLU	CA	C	57.0000	1
735	1	65	GLU	CB	C	30.0400	1
736	1	65	GLU	CG	C	36.3400	1
737	1	65	GLU	N	N	120.6500	1
738	1	66	GLU	H	H	8.5750	1
739	1	66	GLU	HA	H	4.1990	1
740	1	66	GLU	HB2	H	2.1800	1
741	1	66	GLU	HG2	H	2.3400	1
742	1	66	GLU	C	C	177.0100	1
743	1	66	GLU	CA	C	57.5000	1
744	1	66	GLU	CB	C	29.1900	1
745	1	66	GLU	CG	C	36.6400	1
746	1	66	GLU	N	N	120.5200	1
747	1	67	ASP	H	H	8.3270	1
748	1	67	ASP	HA	H	4.6210	1
749	1	67	ASP	HB2	H	2.7500	1
750	1	67	ASP	C	C	175.6100	1
751	1	67	ASP	CA	C	54.1200	1
752	1	67	ASP	CB	C	40.6800	1
753	1	67	ASP	N	N	119.2900	1
754	1	68	ALA	H	H	7.8210	1
755	1	68	ALA	HA	H	4.3410	1
756	1	68	ALA	HB1	H	1.4420	1
757	1	68	ALA	HB2	H	1.4420	1
758	1	68	ALA	HB3	H	1.4420	1
759	1	68	ALA	C	C	177.3200	1
760	1	68	ALA	CA	C	52.4200	1
761	1	68	ALA	CB	C	19.8700	1
762	1	68	ALA	N	N	123.2800	1
763	1	69	ILE	H	H	8.2080	1
764	1	69	ILE	HA	H	4.1650	1
765	1	69	ILE	HB	H	1.8940	1
766	1	69	ILE	HG12	H	1.5900	1
767	1	69	ILE	HG13	H	1.2490	1
768	1	69	ILE	HG21	H	0.9870	1
769	1	69	ILE	HG22	H	0.9870	1
770	1	69	ILE	HG23	H	0.9870	1
771	1	69	ILE	HD11	H	0.9180	1
772	1	69	ILE	HD12	H	0.9180	1
773	1	69	ILE	HD13	H	0.9180	1
774	1	69	ILE	C	C	175.8700	1
775	1	69	ILE	CA	C	61.1200	1
776	1	69	ILE	CB	C	38.4400	1
777	1	69	ILE	CG1	C	27.5400	1
778	1	69	ILE	CG2	C	17.4700	1
779	1	69	ILE	CD1	C	12.8700	1
780	1	69	ILE	N	N	120.6800	1
781	1	70	LEU	H	H	8.6050	1
782	1	70	LEU	HA	H	4.5500	1
783	1	70	LEU	HB2	H	1.7180	1
784	1	70	LEU	HB3	H	1.6380	1
785	1	70	LEU	HG	H	1.7440	1
786	1	70	LEU	HD11	H	0.9320	1
787	1	70	LEU	HD12	H	0.9320	1
788	1	70	LEU	HD13	H	0.9320	1
789	1	70	LEU	HD21	H	1.0390	1
790	1	70	LEU	HD22	H	1.0390	1
791	1	70	LEU	HD23	H	1.0390	1
792	1	70	LEU	C	C	176.8600	1
793	1	70	LEU	CA	C	54.8700	1
794	1	70	LEU	CB	C	42.8000	1
795	1	70	LEU	CG	C	27.5500	1
796	1	70	LEU	CD1	C	24.8300	1
797	1	70	LEU	CD2	C	25.3100	1
798	1	70	LEU	N	N	128.1100	1
799	1	71	GLN	H	H	8.4460	1
800	1	71	GLN	HA	H	4.6310	1
801	1	71	GLN	HB2	H	2.0730	1
802	1	71	GLN	HB3	H	1.9680	1
803	1	71	GLN	HG2	H	2.4760	1
804	1	71	GLN	HG3	H	2.2600	1
805	1	71	GLN	C	C	175.3400	1
806	1	71	GLN	CA	C	55.3600	1
807	1	71	GLN	CB	C	31.5500	1
808	1	71	GLN	CG	C	34.0400	1
809	1	71	GLN	N	N	122.6100	1
810	1	72	THR	H	H	9.1890	1
811	1	72	THR	HA	H	4.4870	1
812	1	72	THR	HB	H	4.1510	1
813	1	72	THR	HG21	H	1.1530	1
814	1	72	THR	HG22	H	1.1530	1
815	1	72	THR	HG23	H	1.1530	1
816	1	72	THR	C	C	173.7200	1
817	1	72	THR	CA	C	63.7000	1
818	1	72	THR	CB	C	69.1000	1
819	1	72	THR	CG2	C	22.6100	1
820	1	72	THR	N	N	124.1100	1
821	1	73	ARG	H	H	8.6210	1
822	1	73	ARG	HA	H	4.8200	1
823	1	73	ARG	HB2	H	1.9600	1
824	1	73	ARG	HB3	H	1.4000	1
825	1	73	ARG	C	C	174.9800	1
826	1	73	ARG	CA	C	54.1700	1
827	1	73	ARG	CB	C	35.0000	1
828	1	73	ARG	N	N	127.3700	1
829	1	74	THR	H	H	8.1640	1
830	1	74	THR	HA	H	5.4020	1
831	1	74	THR	HB	H	3.6870	1
832	1	74	THR	HG21	H	0.9310	1
833	1	74	THR	HG22	H	0.9310	1
834	1	74	THR	HG23	H	0.9310	1
835	1	74	THR	C	C	172.8700	1
836	1	74	THR	CA	C	59.4200	1
837	1	74	THR	CB	C	72.8100	1
838	1	74	THR	CG2	C	22.1200	1
839	1	74	THR	N	N	108.9200	1
840	1	75	TYR	H	H	9.5850	1
841	1	75	TYR	HA	H	5.4070	1
842	1	75	TYR	HB2	H	2.8320	1
843	1	75	TYR	HB3	H	2.4930	1
844	1	75	TYR	HD1	H	6.7790	1
845	1	75	TYR	HE1	H	6.8400	1
846	1	75	TYR	C	C	175.0900	1
847	1	75	TYR	CA	C	57.6900	1
848	1	75	TYR	CB	C	44.5500	1
849	1	75	TYR	CD1	C	132.6990	1
850	1	75	TYR	CE1	C	117.6290	1
851	1	75	TYR	N	N	119.2800	1
852	1	76	ASP	H	H	9.5690	1
853	1	76	ASP	HA	H	5.5240	1
854	1	76	ASP	HB2	H	3.1900	1
855	1	76	ASP	HB3	H	2.4420	1
856	1	76	ASP	C	C	174.8600	1
857	1	76	ASP	CA	C	53.0800	1
858	1	76	ASP	CB	C	41.9900	1
859	1	76	ASP	N	N	121.4700	1
860	1	77	LEU	H	H	8.6240	1
861	1	77	LEU	HA	H	5.9080	1
862	1	77	LEU	HB2	H	1.6650	1
863	1	77	LEU	HB3	H	1.5190	1
864	1	77	LEU	HD11	H	0.7940	1
865	1	77	LEU	HD12	H	0.7940	1
866	1	77	LEU	HD13	H	0.7940	1
867	1	77	LEU	C	C	175.2000	1
868	1	77	LEU	CA	C	53.6900	1
869	1	77	LEU	CB	C	46.0000	1
870	1	77	LEU	CD1	C	26.8700	1
871	1	77	LEU	N	N	120.2300	1
872	1	78	TYR	H	H	9.3450	1
873	1	78	TYR	HA	H	6.4710	1
874	1	78	TYR	HB2	H	3.2520	1
875	1	78	TYR	HD1	H	7.4430	1
876	1	78	TYR	HE1	H	6.8500	1
877	1	78	TYR	C	C	176.5200	1
878	1	78	TYR	CA	C	55.3200	1
879	1	78	TYR	CB	C	43.1700	1
880	1	78	TYR	CD1	C	133.3000	1
881	1	78	TYR	CE1	C	119.1890	1
882	1	78	TYR	N	N	114.3000	1
883	1	79	ILE	H	H	9.6230	1
884	1	79	ILE	HA	H	5.8500	1
885	1	79	ILE	HB	H	1.9770	1
886	1	79	ILE	HG21	H	1.1880	1
887	1	79	ILE	HG22	H	1.1880	1
888	1	79	ILE	HG23	H	1.1880	1
889	1	79	ILE	HD11	H	0.3670	1
890	1	79	ILE	HD12	H	0.3670	1
891	1	79	ILE	HD13	H	0.3670	1
892	1	79	ILE	C	C	177.0000	1
893	1	79	ILE	CA	C	60.6400	1
894	1	79	ILE	CB	C	41.2300	1
895	1	79	ILE	CG1	C	27.7600	1
896	1	79	ILE	CG2	C	19.5500	1
897	1	79	ILE	CD1	C	14.0900	1
898	1	79	ILE	N	N	120.5600	1
899	1	80	THR	H	H	9.4630	1
900	1	80	THR	HA	H	5.3090	1
901	1	80	THR	HB	H	4.7710	1
902	1	80	THR	HG21	H	0.8330	1
903	1	80	THR	HG22	H	0.8330	1
904	1	80	THR	HG23	H	0.8330	1
905	1	80	THR	C	C	171.9900	1
906	1	80	THR	CA	C	59.5700	1
907	1	80	THR	CB	C	70.3400	1
908	1	80	THR	CG2	C	21.8200	1
909	1	80	THR	N	N	116.3000	1
910	1	81	TYR	H	H	9.0040	1
911	1	81	TYR	HA	H	4.1240	1
912	1	81	TYR	HB2	H	3.2290	1
913	1	81	TYR	HB3	H	2.5340	1
914	1	81	TYR	HD1	H	6.5590	1
915	1	81	TYR	HE1	H	6.4020	1
916	1	81	TYR	C	C	174.7000	1
917	1	81	TYR	CA	C	57.1700	1
918	1	81	TYR	CB	C	38.5000	1
919	1	81	TYR	CD1	C	131.8200	1
920	1	81	TYR	CE1	C	117.1900	1
921	1	81	TYR	N	N	119.0000	1
922	1	82	ASP	H	H	8.2730	1
923	1	82	ASP	HA	H	4.7610	1
924	1	82	ASP	HB2	H	3.0900	1
925	1	82	ASP	HB3	H	2.0800	1
926	1	82	ASP	C	C	174.9500	1
927	1	82	ASP	CA	C	52.8400	1
928	1	82	ASP	CB	C	42.9600	1
929	1	82	ASP	N	N	131.6200	1
930	1	83	LYS	H	H	8.5740	1
931	1	83	LYS	HA	H	3.7060	1
932	1	83	LYS	HB2	H	1.6660	1
933	1	83	LYS	HG2	H	1.1620	1
934	1	83	LYS	HG3	H	1.0980	1
935	1	83	LYS	HD2	H	1.3330	1
936	1	83	LYS	HD3	H	1.1790	1
937	1	83	LYS	HE2	H	3.0230	1
938	1	83	LYS	C	C	176.3000	1
939	1	83	LYS	CA	C	57.9000	1
940	1	83	LYS	CB	C	32.4100	1
941	1	83	LYS	CG	C	24.9500	1
942	1	83	LYS	CD	C	29.1700	1
943	1	83	LYS	CE	C	41.9200	1
944	1	83	LYS	N	N	126.3100	1
945	1	84	TYR	H	H	8.1610	1
946	1	84	TYR	HA	H	4.1120	1
947	1	84	TYR	HB2	H	2.9040	1
948	1	84	TYR	HB3	H	3.0480	1
949	1	84	TYR	HD1	H	6.5670	1
950	1	84	TYR	HE1	H	6.6410	1
951	1	84	TYR	C	C	177.4000	1
952	1	84	TYR	CA	C	60.8800	1
953	1	84	TYR	CB	C	38.3600	1
954	1	84	TYR	CD1	C	133.0900	1
955	1	84	TYR	CE1	C	117.9630	1
956	1	84	TYR	N	N	119.1900	1
957	1	85	TYR	H	H	7.9570	1
958	1	85	TYR	HA	H	4.1260	1
959	1	85	TYR	HB2	H	3.2250	1
960	1	85	TYR	HB3	H	2.4630	1
961	1	85	TYR	HD1	H	7.4700	1
962	1	85	TYR	HE1	H	6.9460	1
963	1	85	TYR	C	C	174.9500	1
964	1	85	TYR	CA	C	59.9700	1
965	1	85	TYR	CB	C	39.2000	1
966	1	85	TYR	CD1	C	133.6500	1
967	1	85	TYR	CE1	C	118.4000	1
968	1	85	TYR	N	N	115.7900	1
969	1	86	GLN	H	H	8.2230	1
970	1	86	GLN	HA	H	3.6820	1
971	1	86	GLN	HB2	H	2.5470	1
972	1	86	GLN	HG2	H	2.1200	1
973	1	86	GLN	C	C	173.2900	1
974	1	86	GLN	CA	C	57.2100	1
975	1	86	GLN	CB	C	27.1000	1
976	1	86	GLN	CG	C	35.2900	1
977	1	86	GLN	N	N	115.9500	1
978	1	87	THR	H	H	7.1450	1
979	1	87	THR	HA	H	5.0270	1
980	1	87	THR	HB	H	4.5560	1
981	1	87	THR	HG21	H	1.3430	1
982	1	87	THR	HG22	H	1.3430	1
983	1	87	THR	HG23	H	1.3430	1
984	1	87	THR	C	C	171.4200	1
985	1	87	THR	CA	C	58.1900	1
986	1	87	THR	CB	C	70.8400	1
987	1	87	THR	CG2	C	21.4000	1
988	1	87	THR	N	N	104.1000	1
989	1	88	PRO	HA	H	5.4220	1
990	1	88	PRO	HB2	H	1.9270	1
991	1	88	PRO	HB3	H	0.8960	1
992	1	88	PRO	HG2	H	1.2660	1
993	1	88	PRO	HD2	H	3.6300	1
994	1	88	PRO	C	C	174.6700	1
995	1	88	PRO	CA	C	61.2800	1
996	1	88	PRO	CB	C	32.3200	1
997	1	88	PRO	CG	C	28.0600	1
998	1	88	PRO	CD	C	50.6800	1
999	1	89	ARG	H	H	8.5360	1
1000	1	89	ARG	HA	H	4.5610	1
1001	1	89	ARG	C	C	173.1000	1
1002	1	89	ARG	CA	C	56.0200	1
1003	1	89	ARG	N	N	119.3600	1
1004	1	90	LEU	HA	H	6.0680	1
1005	1	90	LEU	HB2	H	1.9700	1
1006	1	90	LEU	HB3	H	1.8600	1
1007	1	90	LEU	HD11	H	1.1330	1
1008	1	90	LEU	HD12	H	1.1330	1
1009	1	90	LEU	HD13	H	1.1330	1
1010	1	90	LEU	C	C	174.5900	1
1011	1	90	LEU	CA	C	53.6700	1
1012	1	90	LEU	CB	C	46.6100	1
1013	1	90	LEU	CD1	C	24.8000	1
1014	1	91	TRP	H	H	9.6040	1
1015	1	91	TRP	HA	H	5.7670	1
1016	1	91	TRP	HB2	H	3.6970	1
1017	1	91	TRP	HB3	H	3.2650	1
1018	1	91	TRP	HD1	H	7.1170	1
1019	1	91	TRP	HE1	H	10.5210	1
1020	1	91	TRP	HE3	H	7.4820	1
1021	1	91	TRP	HZ2	H	6.9200	1
1022	1	91	TRP	HZ3	H	6.9260	1
1023	1	91	TRP	HH2	H	6.9730	1
1024	1	91	TRP	C	C	175.3000	1
1025	1	91	TRP	CA	C	55.1200	1
1026	1	91	TRP	CB	C	32.6200	1
1027	1	91	TRP	CD1	C	126.5400	1
1028	1	91	TRP	CE3	C	119.4000	1
1029	1	91	TRP	CZ2	C	113.2300	1
1030	1	91	TRP	CZ3	C	122.8600	1
1031	1	91	TRP	CH2	C	124.2900	1
1032	1	91	TRP	N	N	126.3000	1
1033	1	91	TRP	NE1	N	132.7100	1
1034	1	92	LEU	H	H	9.5940	1
1035	1	92	LEU	HA	H	5.9800	1
1036	1	92	LEU	HB2	H	1.8730	1
1037	1	92	LEU	HB3	H	1.9720	1
1038	1	92	LEU	HD11	H	0.8450	1
1039	1	92	LEU	HD12	H	0.8450	1
1040	1	92	LEU	HD13	H	0.8450	1
1041	1	92	LEU	C	C	175.6000	1
1042	1	92	LEU	CA	C	54.7300	1
1043	1	92	LEU	CB	C	46.7000	1
1044	1	92	LEU	CD1	C	26.3700	1
1045	1	92	LEU	N	N	119.7100	1
1046	1	93	PHE	H	H	9.0660	1
1047	1	93	PHE	HA	H	4.7510	1
1048	1	93	PHE	HB2	H	3.5560	1
1049	1	93	PHE	HB3	H	3.4940	1
1050	1	93	PHE	HD1	H	7.2050	1
1051	1	93	PHE	HE1	H	6.8500	1
1052	1	93	PHE	C	C	173.6400	1
1053	1	93	PHE	CA	C	59.6600	1
1054	1	93	PHE	CB	C	43.4000	1
1055	1	93	PHE	CD1	C	132.1200	1
1056	1	93	PHE	N	N	122.3400	1
1057	1	94	GLY	H	H	6.9390	1
1058	1	94	GLY	HA2	H	4.5520	1
1059	1	94	GLY	HA3	H	2.5130	1
1060	1	94	GLY	C	C	171.0100	1
1061	1	94	GLY	CA	C	45.1300	1
1062	1	94	GLY	N	N	114.7100	1
1063	1	95	TYR	H	H	8.9350	1
1064	1	95	TYR	HA	H	4.9320	1
1065	1	95	TYR	HB2	H	2.7960	1
1066	1	95	TYR	HB3	H	2.7340	1
1067	1	95	TYR	HD1	H	6.7810	1
1068	1	95	TYR	HE1	H	6.8630	1
1069	1	95	TYR	C	C	175.4200	1
1070	1	95	TYR	CA	C	56.2000	1
1071	1	95	TYR	CB	C	42.8400	1
1072	1	95	TYR	CD1	C	133.5100	1
1073	1	95	TYR	CE1	C	117.6290	1
1074	1	95	TYR	N	N	115.5600	1
1075	1	96	ASP	H	H	8.6100	1
1076	1	96	ASP	HA	H	4.6460	1
1077	1	96	ASP	HB2	H	3.3860	1
1078	1	96	ASP	HB3	H	2.6310	1
1079	1	96	ASP	C	C	178.6600	1
1080	1	96	ASP	CA	C	52.0200	1
1081	1	96	ASP	CB	C	41.3800	1
1082	1	96	ASP	N	N	118.0000	1
1083	1	97	GLU	H	H	9.0080	1
1084	1	97	GLU	HA	H	4.2310	1
1085	1	97	GLU	HB2	H	2.2200	1
1086	1	97	GLU	HG2	H	2.5300	1
1087	1	97	GLU	C	C	177.4600	1
1088	1	97	GLU	CA	C	58.8600	1
1089	1	97	GLU	CB	C	28.9200	1
1090	1	97	GLU	CG	C	36.5400	1
1091	1	97	GLU	N	N	119.2900	1
1092	1	98	GLN	H	H	8.3100	1
1093	1	98	GLN	HA	H	4.5030	1
1094	1	98	GLN	HB2	H	2.1340	1
1095	1	98	GLN	HG2	H	2.5000	1
1096	1	98	GLN	C	C	175.0400	1
1097	1	98	GLN	CA	C	55.3600	1
1098	1	98	GLN	CB	C	28.5100	1
1099	1	98	GLN	CG	C	40.5200	1
1100	1	98	GLN	N	N	119.4100	1
1101	1	99	ARG	H	H	8.4550	1
1102	1	99	ARG	HA	H	3.6060	1
1103	1	99	ARG	HB2	H	1.4880	1
1104	1	99	ARG	HB3	H	1.4330	1
1105	1	99	ARG	HD2	H	3.0080	1
1106	1	99	ARG	HD3	H	2.9600	1
1107	1	99	ARG	C	C	174.7900	1
1108	1	99	ARG	CA	C	57.5200	1
1109	1	99	ARG	CB	C	27.6100	1
1110	1	99	ARG	CD	C	42.3600	1
1111	1	99	ARG	N	N	114.8200	1
1112	1	100	GLN	H	H	8.5640	1
1113	1	100	GLN	HA	H	4.8960	1
1114	1	100	GLN	HB2	H	2.3790	1
1115	1	100	GLN	HB3	H	2.1400	1
1116	1	100	GLN	HG2	H	2.3160	1
1117	1	100	GLN	HG3	H	2.4980	1
1118	1	100	GLN	C	C	174.5100	1
1119	1	100	GLN	CA	C	52.6500	1
1120	1	100	GLN	CB	C	27.7500	1
1121	1	100	GLN	CG	C	34.0500	1
1122	1	100	GLN	N	N	119.9600	1
1123	1	101	PRO	HA	H	4.3360	1
1124	1	101	PRO	HB2	H	2.3400	1
1125	1	101	PRO	HB3	H	1.9200	1
1126	1	101	PRO	HG2	H	2.3920	1
1127	1	101	PRO	HG3	H	2.1210	1
1128	1	101	PRO	HD2	H	4.1640	1
1129	1	101	PRO	HD3	H	3.8220	1
1130	1	101	PRO	C	C	177.4600	1
1131	1	101	PRO	CA	C	63.0500	1
1132	1	101	PRO	CB	C	32.4800	1
1133	1	101	PRO	CG	C	27.9600	1
1134	1	101	PRO	CD	C	50.7700	1
1135	1	102	LEU	H	H	8.1990	1
1136	1	102	LEU	HA	H	4.4840	1
1137	1	102	LEU	HB2	H	1.4670	1
1138	1	102	LEU	HB3	H	1.2030	1
1139	1	102	LEU	HD11	H	0.4500	1
1140	1	102	LEU	HD12	H	0.4500	1
1141	1	102	LEU	HD13	H	0.4500	1
1142	1	102	LEU	HD21	H	0.6880	1
1143	1	102	LEU	HD22	H	0.6880	1
1144	1	102	LEU	HD23	H	0.6880	1
1145	1	102	LEU	C	C	177.5200	1
1146	1	102	LEU	CA	C	53.6400	1
1147	1	102	LEU	CB	C	43.7800	1
1148	1	102	LEU	CD1	C	27.7400	1
1149	1	102	LEU	CD2	C	23.1500	1
1150	1	102	LEU	N	N	125.3900	1
1151	1	103	THR	H	H	8.2120	1
1152	1	103	THR	HA	H	4.4350	1
1153	1	103	THR	HB	H	4.6280	1
1154	1	103	THR	HG21	H	1.3900	1
1155	1	103	THR	HG22	H	1.3900	1
1156	1	103	THR	HG23	H	1.3900	1
1157	1	103	THR	C	C	176.3500	1
1158	1	103	THR	CA	C	60.5600	1
1159	1	103	THR	CB	C	70.6200	1
1160	1	103	THR	CG2	C	22.2200	1
1161	1	103	THR	N	N	110.6200	1
1162	1	104	VAL	H	H	8.6970	1
1163	1	104	VAL	HA	H	3.4460	1
1164	1	104	VAL	HB	H	1.9180	1
1165	1	104	VAL	HG11	H	0.7560	1
1166	1	104	VAL	HG12	H	0.7560	1
1167	1	104	VAL	HG13	H	0.7560	1
1168	1	104	VAL	HG21	H	1.0190	1
1169	1	104	VAL	HG22	H	1.0190	1
1170	1	104	VAL	HG23	H	1.0190	1
1171	1	104	VAL	C	C	176.6200	1
1172	1	104	VAL	CA	C	67.1700	1
1173	1	104	VAL	CB	C	31.3300	1
1174	1	104	VAL	CG1	C	21.3500	1
1175	1	104	VAL	CG2	C	22.1700	1
1176	1	104	VAL	N	N	121.5100	1
1177	1	105	GLU	H	H	8.2920	1
1178	1	105	GLU	HA	H	3.8170	1
1179	1	105	GLU	HB2	H	1.8700	1
1180	1	105	GLU	HB3	H	1.7870	1
1181	1	105	GLU	HG2	H	2.2800	1
1182	1	105	GLU	HG3	H	2.2030	1
1183	1	105	GLU	C	C	179.5100	1
1184	1	105	GLU	CA	C	60.1200	1
1185	1	105	GLU	CB	C	28.5700	1
1186	1	105	GLU	CG	C	36.9900	1
1187	1	105	GLU	N	N	116.4200	1
1188	1	106	HIS	H	H	7.5990	1
1189	1	106	HIS	HA	H	4.7720	1
1190	1	106	HIS	HB2	H	3.3190	1
1191	1	106	HIS	HD2	H	7.2520	1
1192	1	106	HIS	C	C	179.3900	1
1193	1	106	HIS	CA	C	58.0500	1
1194	1	106	HIS	CB	C	30.4000	1
1195	1	106	HIS	N	N	116.2700	1
1196	1	107	MET	H	H	8.5270	1
1197	1	107	MET	HA	H	4.4650	1
1198	1	107	MET	HB2	H	2.7160	1
1199	1	107	MET	HB3	H	2.5970	1
1200	1	107	MET	HE1	H	2.0400	1
1201	1	107	MET	HE2	H	2.0400	1
1202	1	107	MET	HE3	H	2.0400	1
1203	1	107	MET	C	C	178.3400	1
1204	1	107	MET	CA	C	60.4800	1
1205	1	107	MET	CB	C	34.1000	1
1206	1	107	MET	CE	C	17.9900	1
1207	1	107	MET	N	N	124.3200	1
1208	1	108	TYR	H	H	8.2310	1
1209	1	108	TYR	HA	H	4.3970	1
1210	1	108	TYR	HB2	H	3.2470	1
1211	1	108	TYR	HD1	H	7.1110	1
1212	1	108	TYR	HE1	H	6.6980	1
1213	1	108	TYR	C	C	178.3200	1
1214	1	108	TYR	CA	C	59.0200	1
1215	1	108	TYR	CB	C	37.1000	1
1216	1	108	TYR	CD1	C	131.3000	1
1217	1	108	TYR	CE1	C	118.2000	1
1218	1	108	TYR	N	N	115.6700	1
1219	1	109	GLU	H	H	7.7620	1
1220	1	109	GLU	HA	H	4.3040	1
1221	1	109	GLU	HB2	H	2.1480	1
1222	1	109	GLU	HG2	H	2.3700	1
1223	1	109	GLU	C	C	177.0600	1
1224	1	109	GLU	CA	C	58.0200	1
1225	1	109	GLU	CB	C	30.8800	1
1226	1	109	GLU	CG	C	36.6000	1
1227	1	109	GLU	N	N	116.0900	1
1228	1	110	ASP	H	H	8.1610	1
1229	1	110	ASP	HA	H	5.1330	1
1230	1	110	ASP	HB2	H	2.7540	1
1231	1	110	ASP	C	C	173.4500	1
1232	1	110	ASP	CA	C	55.4200	1
1233	1	110	ASP	CB	C	41.4200	1
1234	1	110	ASP	N	N	119.1900	1
1235	1	111	ILE	H	H	7.3060	1
1236	1	111	ILE	HA	H	4.8020	1
1237	1	111	ILE	HB	H	1.6860	1
1238	1	111	ILE	HG12	H	1.6300	1
1239	1	111	ILE	HG21	H	0.9290	1
1240	1	111	ILE	HG22	H	0.9290	1
1241	1	111	ILE	HG23	H	0.9290	1
1242	1	111	ILE	HD11	H	0.6830	1
1243	1	111	ILE	HD12	H	0.6830	1
1244	1	111	ILE	HD13	H	0.6830	1
1245	1	111	ILE	C	C	175.0000	1
1246	1	111	ILE	CA	C	59.0000	1
1247	1	111	ILE	CB	C	40.0800	1
1248	1	111	ILE	CG1	C	26.8200	1
1249	1	111	ILE	CG2	C	17.6300	1
1250	1	111	ILE	CD1	C	13.6000	1
1251	1	111	ILE	N	N	120.6800	1
1252	1	112	SER	H	H	9.1170	1
1253	1	112	SER	HA	H	4.5000	1
1254	1	112	SER	HB2	H	4.1000	1
1255	1	112	SER	C	C	177.4000	1
1256	1	112	SER	CA	C	58.9000	1
1257	1	112	SER	CB	C	63.8200	1
1258	1	112	SER	N	N	121.4400	1
1259	1	113	GLN	HA	H	4.1650	1
1260	1	113	GLN	HB2	H	2.2300	1
1261	1	113	GLN	HG2	H	2.5400	1
1262	1	113	GLN	C	C	176.8700	1
1263	1	113	GLN	CA	C	58.2700	1
1264	1	113	GLN	CB	C	28.7000	1
1265	1	113	GLN	CG	C	34.1100	1
1266	1	114	ASP	H	H	8.4670	1
1267	1	114	ASP	HA	H	4.4910	1
1268	1	114	ASP	HB2	H	2.5220	1
1269	1	114	ASP	HB3	H	2.4890	1
1270	1	114	ASP	C	C	176.6300	1
1271	1	114	ASP	CA	C	55.5700	1
1272	1	114	ASP	CB	C	40.5300	1
1273	1	114	ASP	N	N	118.3000	1
1274	1	115	HIS	H	H	7.8870	1
1275	1	115	HIS	HA	H	4.5760	1
1276	1	115	HIS	HB2	H	3.1820	1
1277	1	115	HIS	HB3	H	2.9510	1
1278	1	115	HIS	HD2	H	6.1600	1
1279	1	115	HIS	C	C	176.7900	1
1280	1	115	HIS	CA	C	58.0700	1
1281	1	115	HIS	CB	C	33.3100	1
1282	1	115	HIS	N	N	116.4000	1
1283	1	116	VAL	H	H	7.7290	1
1284	1	116	VAL	HA	H	3.6610	1
1285	1	116	VAL	HB	H	2.0650	1
1286	1	116	VAL	HG11	H	0.7720	1
1287	1	116	VAL	HG12	H	0.7720	1
1288	1	116	VAL	HG13	H	0.7720	1
1289	1	116	VAL	HG21	H	0.7740	1
1290	1	116	VAL	HG22	H	0.7740	1
1291	1	116	VAL	HG23	H	0.7740	1
1292	1	116	VAL	C	C	176.2800	1
1293	1	116	VAL	CA	C	65.9100	1
1294	1	116	VAL	CB	C	31.4000	1
1295	1	116	VAL	CG1	C	21.3500	1
1296	1	116	VAL	CG2	C	20.8200	1
1297	1	116	VAL	N	N	121.1700	1
1298	1	117	LYS	HA	H	4.2140	1
1299	1	117	LYS	HB2	H	1.8660	1
1300	1	117	LYS	HB3	H	1.9160	1
1301	1	117	LYS	HG2	H	1.5180	1
1302	1	117	LYS	HD2	H	1.7000	1
1303	1	117	LYS	HE2	H	3.0350	1
1304	1	117	LYS	C	C	177.5900	1
1305	1	117	LYS	CA	C	58.5700	1
1306	1	117	LYS	CB	C	31.9500	1
1307	1	117	LYS	CG	C	25.4000	1
1308	1	117	LYS	CD	C	29.1000	1
1309	1	117	LYS	CE	C	41.9000	1
1310	1	118	LYS	H	H	8.0180	1
1311	1	118	LYS	HA	H	4.4660	1
1312	1	118	LYS	HB2	H	1.8540	1
1313	1	118	LYS	HG2	H	1.3780	1
1314	1	118	LYS	HG3	H	1.4600	1
1315	1	118	LYS	HD2	H	1.5850	1
1316	1	118	LYS	HE2	H	2.8500	1
1317	1	118	LYS	C	C	177.3300	1
1318	1	118	LYS	CA	C	57.8800	1
1319	1	118	LYS	CB	C	34.2300	1
1320	1	118	LYS	CG	C	25.1600	1
1321	1	118	LYS	CD	C	29.4400	1
1322	1	118	LYS	CE	C	41.7000	1
1323	1	118	LYS	N	N	116.8000	1
1324	1	119	THR	H	H	8.3040	1
1325	1	119	THR	HA	H	4.4870	1
1326	1	119	THR	HB	H	4.3640	1
1327	1	119	THR	HG21	H	1.2730	1
1328	1	119	THR	HG22	H	1.2730	1
1329	1	119	THR	HG23	H	1.2730	1
1330	1	119	THR	C	C	174.0100	1
1331	1	119	THR	CA	C	63.7000	1
1332	1	119	THR	CB	C	69.8100	1
1333	1	119	THR	CG2	C	23.7400	1
1334	1	119	THR	N	N	111.5900	1
1335	1	120	VAL	H	H	7.6070	1
1336	1	120	VAL	HA	H	5.5260	1
1337	1	120	VAL	HB	H	2.1890	1
1338	1	120	VAL	HG11	H	0.9760	1
1339	1	120	VAL	HG12	H	0.9760	1
1340	1	120	VAL	HG13	H	0.9760	1
1341	1	120	VAL	C	C	176.1100	1
1342	1	120	VAL	CA	C	60.9900	1
1343	1	120	VAL	CB	C	33.1000	1
1344	1	120	VAL	CG1	C	21.3500	1
1345	1	120	VAL	N	N	123.0100	1
1346	1	121	THR	H	H	8.8820	1
1347	1	121	THR	HA	H	4.7860	1
1348	1	121	THR	HB	H	4.3410	1
1349	1	121	THR	HG21	H	1.1920	1
1350	1	121	THR	HG22	H	1.1920	1
1351	1	121	THR	HG23	H	1.1920	1
1352	1	121	THR	C	C	171.9900	1
1353	1	121	THR	CA	C	59.5200	1
1354	1	121	THR	CB	C	72.0530	1
1355	1	121	THR	CG2	C	23.3400	1
1356	1	121	THR	N	N	118.6300	1
1357	1	122	ILE	H	H	8.5570	1
1358	1	122	ILE	HA	H	5.2100	1
1359	1	122	ILE	HB	H	2.1300	1
1360	1	122	ILE	HG12	H	1.6300	1
1361	1	122	ILE	HG21	H	0.8990	1
1362	1	122	ILE	HG22	H	0.8990	1
1363	1	122	ILE	HG23	H	0.8990	1
1364	1	122	ILE	HD11	H	0.9170	1
1365	1	122	ILE	HD12	H	0.9170	1
1366	1	122	ILE	HD13	H	0.9170	1
1367	1	122	ILE	C	C	176.2300	1
1368	1	122	ILE	CA	C	58.8300	1
1369	1	122	ILE	CB	C	36.9300	1
1370	1	122	ILE	CG1	C	26.8400	1
1371	1	122	ILE	CG2	C	17.7300	1
1372	1	122	ILE	CD1	C	12.2400	1
1373	1	122	ILE	N	N	121.6100	1
1374	1	123	GLU	H	H	8.9570	1
1375	1	123	GLU	HA	H	4.9140	1
1376	1	123	GLU	HB2	H	2.4960	1
1377	1	123	GLU	HG2	H	2.3420	1
1378	1	123	GLU	C	C	174.5600	1
1379	1	123	GLU	CA	C	54.6200	1
1380	1	123	GLU	CB	C	34.6900	1
1381	1	123	GLU	CG	C	36.4000	1
1382	1	123	GLU	N	N	124.7100	1
1383	1	124	ASN	H	H	8.9710	1
1384	1	124	ASN	HA	H	4.5780	1
1385	1	124	ASN	HB2	H	2.7300	1
1386	1	124	ASN	HB3	H	2.4900	1
1387	1	124	ASN	C	C	174.2900	1
1388	1	124	ASN	CA	C	54.0100	1
1389	1	124	ASN	CB	C	38.3500	1
1390	1	124	ASN	N	N	121.8400	1
1391	1	125	HIS	H	H	9.0330	1
1392	1	125	HIS	HA	H	2.8320	1
1393	1	125	HIS	HB2	H	2.6350	1
1394	1	125	HIS	HB3	H	2.3570	1
1395	1	125	HIS	HD2	H	5.9750	1
1396	1	125	HIS	C	C	175.8100	1
1397	1	125	HIS	CA	C	54.4200	1
1398	1	125	HIS	CB	C	31.2000	1
1399	1	125	HIS	CD2	C	117.5200	1
1400	1	125	HIS	N	N	127.3200	1
1401	1	126	PRO	HA	H	4.1660	1
1402	1	126	PRO	HB2	H	2.2250	1
1403	1	126	PRO	HB3	H	1.4270	1
1404	1	126	PRO	HG2	H	1.8600	1
1405	1	126	PRO	HG3	H	1.6040	1
1406	1	126	PRO	HD2	H	2.5300	1
1407	1	126	PRO	HD3	H	1.3520	1
1408	1	126	PRO	C	C	176.6700	1
1409	1	126	PRO	CA	C	63.8400	1
1410	1	126	PRO	CB	C	32.0300	1
1411	1	126	PRO	CG	C	26.9400	1
1412	1	126	PRO	CD	C	50.1200	1
1413	1	127	HIS	H	H	9.8860	1
1414	1	127	HIS	HA	H	4.7050	1
1415	1	127	HIS	HB2	H	4.1070	1
1416	1	127	HIS	HD2	H	6.1600	1
1417	1	127	HIS	C	C	172.5600	1
1418	1	127	HIS	CA	C	54.9900	1
1419	1	127	HIS	CB	C	33.0900	1
1420	1	127	HIS	N	N	116.8500	1
1421	1	128	LEU	H	H	6.8740	1
1422	1	128	LEU	HA	H	4.9650	1
1423	1	128	LEU	HB2	H	1.2650	1
1424	1	128	LEU	HB3	H	0.6220	1
1425	1	128	LEU	HG	H	0.5020	1
1426	1	128	LEU	HD11	H	0.9580	1
1427	1	128	LEU	HD12	H	0.9580	1
1428	1	128	LEU	HD13	H	0.9580	1
1429	1	128	LEU	HD21	H	-0.3920	1
1430	1	128	LEU	HD22	H	-0.3920	1
1431	1	128	LEU	HD23	H	-0.3920	1
1432	1	128	LEU	C	C	173.3600	1
1433	1	128	LEU	CA	C	52.3700	1
1434	1	128	LEU	CB	C	44.4800	1
1435	1	128	LEU	CG	C	26.9600	1
1436	1	128	LEU	CD1	C	22.5400	1
1437	1	128	LEU	CD2	C	24.4100	1
1438	1	128	LEU	N	N	120.5700	1
1439	1	129	PRO	HA	H	4.6800	1
1440	1	129	PRO	HB2	H	2.4220	1
1441	1	129	PRO	HB3	H	2.0410	1
1442	1	129	PRO	HG2	H	1.9090	1
1443	1	129	PRO	HD2	H	3.5290	1
1444	1	129	PRO	C	C	174.0000	1
1445	1	129	PRO	CA	C	62.0400	1
1446	1	129	PRO	CB	C	30.3200	1
1447	1	129	PRO	CG	C	26.9100	1
1448	1	129	PRO	CD	C	50.7400	1
1449	1	130	PRO	HA	H	4.2590	1
1450	1	130	PRO	HB2	H	2.4410	1
1451	1	130	PRO	HB3	H	1.8560	1
1452	1	130	PRO	HD2	H	3.7600	1
1453	1	130	PRO	HD3	H	3.4900	1
1454	1	130	PRO	C	C	174.3600	1
1455	1	130	PRO	CA	C	61.8800	1
1456	1	130	PRO	CB	C	29.9800	1
1457	1	130	PRO	CG	C	27.7000	1
1458	1	130	PRO	CD	C	50.2400	1
1459	1	131	PRO	HA	H	4.8060	1
1460	1	131	PRO	HB2	H	2.6530	1
1461	1	131	PRO	HB3	H	2.4640	1
1462	1	131	PRO	HG2	H	2.0370	1
1463	1	131	PRO	HG3	H	1.8410	1
1464	1	131	PRO	HD2	H	3.5310	1
1465	1	131	PRO	C	C	174.0200	1
1466	1	131	PRO	CA	C	61.2200	1
1467	1	131	PRO	CB	C	34.0900	1
1468	1	131	PRO	CG	C	24.7100	1
1469	1	131	PRO	CD	C	51.4300	1
1470	1	132	PRO	HA	H	4.4870	1
1471	1	132	PRO	HB2	H	1.8340	1
1472	1	132	PRO	HB3	H	1.6400	1
1473	1	132	PRO	HG2	H	1.9770	1
1474	1	132	PRO	HG3	H	2.0860	1
1475	1	132	PRO	HD2	H	3.8100	1
1476	1	132	PRO	C	C	173.7200	1
1477	1	132	PRO	CA	C	63.7000	1
1478	1	132	PRO	CB	C	32.6300	1
1479	1	132	PRO	CG	C	27.1000	1
1480	1	132	PRO	CD	C	50.8800	1
1481	1	133	MET	H	H	8.4440	1
1482	1	133	MET	HA	H	5.2590	1
1483	1	133	MET	HB2	H	2.8090	1
1484	1	133	MET	HB3	H	2.5090	1
1485	1	133	MET	HG2	H	2.9370	1
1486	1	133	MET	HG3	H	2.8540	1
1487	1	133	MET	HE1	H	1.6830	1
1488	1	133	MET	HE2	H	1.6830	1
1489	1	133	MET	HE3	H	1.6830	1
1490	1	133	MET	C	C	174.2400	1
1491	1	133	MET	CA	C	54.2700	1
1492	1	133	MET	CB	C	36.4100	1
1493	1	133	MET	CG	C	33.5400	1
1494	1	133	MET	CE	C	17.6900	1
1495	1	133	MET	N	N	116.0400	1
1496	1	134	CYS	H	H	8.4440	1
1497	1	134	CYS	HA	H	5.0910	1
1498	1	134	CYS	HB2	H	2.7660	1
1499	1	134	CYS	HB3	H	3.0350	1
1500	1	134	CYS	C	C	174.3000	1
1501	1	134	CYS	CA	C	59.1500	1
1502	1	134	CYS	CB	C	27.7100	1
1503	1	134	CYS	N	N	116.0400	1
1504	1	135	SER	H	H	9.4000	1
1505	1	135	SER	HA	H	4.5010	1
1506	1	135	SER	HB2	H	3.5370	1
1507	1	135	SER	CA	C	55.9000	1
1508	1	135	SER	CB	C	63.2000	1
1509	1	135	SER	N	N	121.3700	1
1510	1	136	VAL	HA	H	4.3440	1
1511	1	136	VAL	HB	H	2.0700	1
1512	1	136	VAL	HG11	H	0.8040	1
1513	1	136	VAL	HG12	H	0.8040	1
1514	1	136	VAL	HG13	H	0.8040	1
1515	1	136	VAL	HG21	H	0.8700	1
1516	1	136	VAL	HG22	H	0.8700	1
1517	1	136	VAL	HG23	H	0.8700	1
1518	1	136	VAL	C	C	173.6400	1
1519	1	136	VAL	CA	C	61.6600	1
1520	1	136	VAL	CB	C	32.8100	1
1521	1	136	VAL	CG1	C	20.7900	1
1522	1	136	VAL	CG2	C	21.9200	1
1523	1	139	CYS	HA	H	4.1000	1
1524	1	139	CYS	HB2	H	3.5220	1
1525	1	139	CYS	HB3	H	3.0610	1
1526	1	139	CYS	CA	C	61.2500	1
1527	1	139	CYS	CB	C	27.5100	1
1528	1	141	HIS	H	H	7.7200	1
1529	1	141	HIS	HA	H	4.5100	1
1530	1	141	HIS	HB2	H	3.3950	1
1531	1	141	HIS	HB3	H	2.9750	1
1532	1	141	HIS	CA	C	56.5800	1
1533	1	141	HIS	CB	C	31.5000	1
1534	1	141	HIS	N	N	119.3500	1
1535	1	142	ALA	HA	H	4.1220	1
1536	1	142	ALA	HB1	H	1.5540	1
1537	1	142	ALA	HB2	H	1.5540	1
1538	1	142	ALA	HB3	H	1.5540	1
1539	1	142	ALA	C	C	179.4900	1
1540	1	142	ALA	CA	C	55.6300	1
1541	1	142	ALA	CB	C	18.5500	1
1542	1	143	GLU	HA	H	4.1010	1
1543	1	143	GLU	HB2	H	2.1400	1
1544	1	143	GLU	HG2	H	2.3890	1
1545	1	143	GLU	C	C	178.8200	1
1546	1	143	GLU	CA	C	59.1700	1
1547	1	143	GLU	CB	C	29.7000	1
1548	1	143	GLU	CG	C	36.6300	1
1549	1	144	VAL	H	H	7.4920	1
1550	1	144	VAL	HA	H	3.6390	1
1551	1	144	VAL	HB	H	2.3080	1
1552	1	144	VAL	HG11	H	0.8940	1
1553	1	144	VAL	HG12	H	0.8940	1
1554	1	144	VAL	HG13	H	0.8940	1
1555	1	144	VAL	HG21	H	1.0400	1
1556	1	144	VAL	HG22	H	1.0400	1
1557	1	144	VAL	HG23	H	1.0400	1
1558	1	144	VAL	C	C	177.7000	1
1559	1	144	VAL	CA	C	65.8080	1
1560	1	144	VAL	CB	C	31.4100	1
1561	1	144	VAL	CG1	C	22.4700	1
1562	1	144	VAL	CG2	C	22.6500	1
1563	1	144	VAL	N	N	120.5300	1
1564	1	145	MET	HA	H	4.3100	1
1565	1	145	MET	HB2	H	2.7470	1
1566	1	145	MET	HE1	H	2.1240	1
1567	1	145	MET	HE2	H	2.1240	1
1568	1	145	MET	HE3	H	2.1240	1
1569	1	145	MET	C	C	178.2200	1
1570	1	145	MET	CA	C	57.3400	1
1571	1	145	MET	CB	C	32.2000	1
1572	1	145	MET	CE	C	17.1200	1
1573	1	146	LYS	H	H	8.2670	1
1574	1	146	LYS	HA	H	3.9150	1
1575	1	146	LYS	HB2	H	1.8830	1
1576	1	146	LYS	HG2	H	1.5370	1
1577	1	146	LYS	HG3	H	1.3980	1
1578	1	146	LYS	HD2	H	1.6830	1
1579	1	146	LYS	HE2	H	3.0000	1
1580	1	146	LYS	C	C	178.2600	1
1581	1	146	LYS	CA	C	59.7800	1
1582	1	146	LYS	CB	C	32.4300	1
1583	1	146	LYS	CG	C	24.9300	1
1584	1	146	LYS	CD	C	29.5200	1
1585	1	146	LYS	CE	C	42.3000	1
1586	1	146	LYS	N	N	118.1100	1
1587	1	147	LYS	H	H	7.3360	1
1588	1	147	LYS	HA	H	4.1530	1
1589	1	147	LYS	HB2	H	1.6790	1
1590	1	147	LYS	HG2	H	1.5640	1
1591	1	147	LYS	HD2	H	1.7070	1
1592	1	147	LYS	HE2	H	2.9190	1
1593	1	147	LYS	C	C	179.7300	1
1594	1	147	LYS	CA	C	58.3600	1
1595	1	147	LYS	CB	C	32.1300	1
1596	1	147	LYS	CG	C	25.0000	1
1597	1	147	LYS	CD	C	28.6700	1
1598	1	147	LYS	CE	C	42.2400	1
1599	1	147	LYS	N	N	117.8300	1
1600	1	148	ILE	H	H	8.0660	1
1601	1	148	ILE	HA	H	3.5470	1
1602	1	148	ILE	HB	H	2.1000	1
1603	1	148	ILE	HG12	H	1.6010	1
1604	1	148	ILE	HG21	H	0.8000	1
1605	1	148	ILE	HG22	H	0.8000	1
1606	1	148	ILE	HG23	H	0.8000	1
1607	1	148	ILE	HD11	H	0.7950	1
1608	1	148	ILE	HD12	H	0.7950	1
1609	1	148	ILE	HD13	H	0.7950	1
1610	1	148	ILE	C	C	178.0700	1
1611	1	148	ILE	CA	C	66.1600	1
1612	1	148	ILE	CB	C	37.4800	1
1613	1	148	ILE	CG1	C	29.2800	1
1614	1	148	ILE	CG2	C	16.5700	1
1615	1	148	ILE	CD1	C	13.6700	1
1616	1	148	ILE	N	N	122.6600	1
1617	1	149	ILE	H	H	8.3570	1
1618	1	149	ILE	HA	H	3.4910	1
1619	1	149	ILE	HB	H	1.9280	1
1620	1	149	ILE	HG12	H	0.0000	1
1621	1	149	ILE	HG21	H	0.8770	1
1622	1	149	ILE	HG22	H	0.8770	1
1623	1	149	ILE	HG23	H	0.8770	1
1624	1	149	ILE	HD11	H	0.7640	1
1625	1	149	ILE	HD12	H	0.7640	1
1626	1	149	ILE	HD13	H	0.7640	1
1627	1	149	ILE	C	C	178.0700	1
1628	1	149	ILE	CA	C	65.6900	1
1629	1	149	ILE	CB	C	38.0800	1
1630	1	149	ILE	CG1	C	29.4900	1
1631	1	149	ILE	CG2	C	17.6700	1
1632	1	149	ILE	CD1	C	14.0400	1
1633	1	149	ILE	N	N	120.0100	1
1634	1	150	GLU	H	H	8.1540	1
1635	1	150	GLU	HA	H	4.0980	1
1636	1	150	GLU	HB2	H	2.1170	1
1637	1	150	GLU	HG2	H	2.3800	1
1638	1	150	GLU	C	C	178.7400	1
1639	1	150	GLU	CA	C	59.1400	1
1640	1	150	GLU	CB	C	29.3700	1
1641	1	150	GLU	CG	C	36.9000	1
1642	1	150	GLU	N	N	118.7100	1
1643	1	151	THR	H	H	7.9570	1
1644	1	151	THR	HA	H	4.1350	1
1645	1	151	THR	HB	H	4.4780	1
1646	1	151	THR	HG21	H	1.3680	1
1647	1	151	THR	HG22	H	1.3680	1
1648	1	151	THR	HG23	H	1.3680	1
1649	1	151	THR	C	C	176.5200	1
1650	1	151	THR	CA	C	66.5100	1
1651	1	151	THR	CB	C	68.8200	1
1652	1	151	THR	CG2	C	21.5500	1
1653	1	151	THR	N	N	115.7900	1
1654	1	152	VAL	H	H	8.2560	1
1655	1	152	VAL	HA	H	3.8640	1
1656	1	152	VAL	HB	H	2.2500	1
1657	1	152	VAL	HG11	H	0.9000	1
1658	1	152	VAL	HG12	H	0.9000	1
1659	1	152	VAL	HG13	H	0.9000	1
1660	1	152	VAL	HG21	H	1.0060	1
1661	1	152	VAL	HG22	H	1.0060	1
1662	1	152	VAL	HG23	H	1.0060	1
1663	1	152	VAL	C	C	177.8000	1
1664	1	152	VAL	CA	C	65.1800	1
1665	1	152	VAL	CB	C	31.8000	1
1666	1	152	VAL	CG1	C	21.9400	1
1667	1	152	VAL	CG2	C	22.1700	1
1668	1	152	VAL	N	N	121.3600	1
1669	1	153	ALA	H	H	8.3280	1
1670	1	153	ALA	HA	H	4.2750	1
1671	1	153	ALA	HB1	H	1.5490	1
1672	1	153	ALA	HB2	H	1.5490	1
1673	1	153	ALA	HB3	H	1.5490	1
1674	1	153	ALA	C	C	179.5400	1
1675	1	153	ALA	CA	C	54.0500	1
1676	1	153	ALA	CB	C	18.6900	1
1677	1	153	ALA	N	N	122.9800	1
1678	1	154	GLU	H	H	7.9630	1
1679	1	154	GLU	HA	H	4.2640	1
1680	1	154	GLU	HB2	H	2.1300	1
1681	1	154	GLU	C	C	177.7000	1
1682	1	154	GLU	CA	C	57.8600	1
1683	1	154	GLU	CB	C	29.9500	1
1684	1	154	GLU	CG	C	36.4000	1
1685	1	154	GLU	N	N	118.6300	1
1686	1	155	GLY	H	H	8.1150	1
1687	1	155	GLY	HA2	H	4.1850	1
1688	1	155	GLY	HA3	H	3.9510	1
1689	1	155	GLY	C	C	175.0900	1
1690	1	155	GLY	CA	C	45.7700	1
1691	1	155	GLY	N	N	107.5700	1
1692	1	156	GLY	H	H	8.1010	1
1693	1	156	GLY	HA2	H	4.1900	1
1694	1	156	GLY	HA3	H	4.0180	1
1695	1	156	GLY	C	C	175.0200	1
1696	1	156	GLY	CA	C	45.4300	1
1697	1	156	GLY	N	N	108.1000	1
1698	1	157	GLY	H	H	8.3950	1
1699	1	157	GLY	HA2	H	4.1900	1
1700	1	157	GLY	HA3	H	4.0180	1
1701	1	157	GLY	C	C	174.2100	1
1702	1	157	GLY	CA	C	45.4300	1
1703	1	157	GLY	N	N	108.8900	1
1704	1	158	GLU	H	H	8.4330	1
1705	1	158	GLU	HA	H	4.3550	1
1706	1	158	GLU	HB2	H	2.0350	1
1707	1	158	GLU	HG2	H	2.3570	1
1708	1	158	GLU	C	C	176.2700	1
1709	1	158	GLU	CA	C	56.7700	1
1710	1	158	GLU	CB	C	30.2000	1
1711	1	158	GLU	CG	C	36.3300	1
1712	1	158	GLU	N	N	120.4200	1
1713	1	159	LEU	HA	H	4.5120	1
1714	1	159	LEU	HB2	H	1.7830	1
1715	1	159	LEU	HB3	H	1.7350	1
1716	1	159	LEU	HD11	H	0.9770	1
1717	1	159	LEU	HD12	H	0.9770	1
1718	1	159	LEU	HD13	H	0.9770	1
1719	1	159	LEU	HD21	H	0.9770	1
1720	1	159	LEU	HD22	H	0.9770	1
1721	1	159	LEU	HD23	H	0.9770	1
1722	1	159	LEU	C	C	176.3500	1
1723	1	159	LEU	CA	C	54.8900	1
1724	1	159	LEU	CB	C	42.4000	1
1725	1	159	LEU	CD1	C	25.5400	1
1726	1	159	LEU	CD2	C	23.9200	1
1727	1	160	GLY	H	H	7.7130	1
1728	1	160	GLY	HA2	H	4.4640	1
1729	1	160	GLY	HA3	H	3.9340	1
1730	1	160	GLY	C	C	174.6600	1
1731	1	160	GLY	CA	C	44.6000	1
1732	1	160	GLY	N	N	109.0400	1
1733	1	161	VAL	H	H	8.6210	1
1734	1	161	VAL	HA	H	2.9920	1
1735	1	161	VAL	HB	H	1.7120	1
1736	1	161	VAL	HG11	H	0.9020	1
1737	1	161	VAL	HG12	H	0.9020	1
1738	1	161	VAL	HG13	H	0.9020	1
1739	1	161	VAL	HG21	H	0.6260	1
1740	1	161	VAL	HG22	H	0.6260	1
1741	1	161	VAL	HG23	H	0.6260	1
1742	1	161	VAL	C	C	175.7900	1
1743	1	161	VAL	CA	C	64.6300	1
1744	1	161	VAL	CB	C	31.4000	1
1745	1	161	VAL	CG1	C	19.5600	1
1746	1	161	VAL	CG2	C	22.7100	1
1747	1	161	VAL	N	N	121.6600	1
1748	1	162	HIS	H	H	8.2220	1
1749	1	162	HIS	HA	H	4.0110	1
1750	1	162	HIS	HB2	H	2.8190	1
1751	1	162	HIS	HD2	H	5.9120	1
1752	1	162	HIS	C	C	175.3700	1
1753	1	162	HIS	CA	C	58.2100	1
1754	1	162	HIS	CB	C	29.0700	1
1755	1	162	HIS	CD2	C	117.4010	1
1756	1	162	HIS	N	N	117.2300	1
1757	1	163	MET	H	H	7.3640	1
1758	1	163	MET	HA	H	4.2930	1
1759	1	163	MET	HB2	H	1.8030	1
1760	1	163	MET	HB3	H	2.1360	1
1761	1	163	MET	HE1	H	2.0210	1
1762	1	163	MET	HE2	H	2.0210	1
1763	1	163	MET	HE3	H	2.0210	1
1764	1	163	MET	C	C	177.8600	1
1765	1	163	MET	CA	C	54.5800	1
1766	1	163	MET	CB	C	32.1000	1
1767	1	163	MET	CE	C	17.0200	1
1768	1	163	MET	N	N	115.9300	1
1769	1	164	TYR	H	H	8.0830	1
1770	1	164	TYR	HA	H	3.6840	1
1771	1	164	TYR	HB2	H	3.3000	1
1772	1	164	TYR	HB3	H	2.6860	1
1773	1	164	TYR	HD1	H	6.7660	1
1774	1	164	TYR	HE1	H	6.6200	1
1775	1	164	TYR	C	C	177.8400	1
1776	1	164	TYR	CA	C	63.2100	1
1777	1	164	TYR	CB	C	39.9700	1
1778	1	164	TYR	CD1	C	132.7000	1
1779	1	164	TYR	CE1	C	117.4780	1
1780	1	164	TYR	N	N	118.9500	1
1781	1	165	LEU	H	H	8.2970	1
1782	1	165	LEU	HA	H	4.3610	1
1783	1	165	LEU	HB2	H	1.6620	1
1784	1	165	LEU	HB3	H	1.7310	1
1785	1	165	LEU	HG	H	1.2150	1
1786	1	165	LEU	HD11	H	0.4760	1
1787	1	165	LEU	HD12	H	0.4760	1
1788	1	165	LEU	HD13	H	0.4760	1
1789	1	165	LEU	HD21	H	0.8140	1
1790	1	165	LEU	HD22	H	0.8140	1
1791	1	165	LEU	HD23	H	0.8140	1
1792	1	165	LEU	C	C	178.2200	1
1793	1	165	LEU	CA	C	56.7000	1
1794	1	165	LEU	CB	C	41.0000	1
1795	1	165	LEU	CG	C	27.5600	1
1796	1	165	LEU	CD1	C	25.7800	1
1797	1	165	LEU	CD2	C	23.4700	1
1798	1	165	LEU	N	N	111.8700	1
1799	1	166	LEU	H	H	7.3000	1
1800	1	166	LEU	HA	H	4.1530	1
1801	1	166	LEU	HB2	H	1.7300	1
1802	1	166	LEU	HD11	H	1.0740	1
1803	1	166	LEU	HD12	H	1.0740	1
1804	1	166	LEU	HD13	H	1.0740	1
1805	1	166	LEU	HD21	H	1.0710	1
1806	1	166	LEU	HD22	H	1.0710	1
1807	1	166	LEU	HD23	H	1.0710	1
1808	1	166	LEU	C	C	178.9300	1
1809	1	166	LEU	CA	C	58.3600	1
1810	1	166	LEU	CB	C	40.9500	1
1811	1	166	LEU	CD1	C	26.5500	1
1812	1	166	LEU	CD2	C	24.1000	1
1813	1	166	LEU	N	N	120.2000	1
1814	1	167	ILE	H	H	7.5240	1
1815	1	167	ILE	HA	H	3.6690	1
1816	1	167	ILE	HB	H	1.8150	1
1817	1	167	ILE	HG12	H	0.0000	1
1818	1	167	ILE	HG21	H	0.9400	1
1819	1	167	ILE	HG22	H	0.9400	1
1820	1	167	ILE	HG23	H	0.9400	1
1821	1	167	ILE	HD11	H	0.7420	1
1822	1	167	ILE	HD12	H	0.7420	1
1823	1	167	ILE	HD13	H	0.7420	1
1824	1	167	ILE	C	C	177.5900	1
1825	1	167	ILE	CA	C	64.7600	1
1826	1	167	ILE	CB	C	37.7600	1
1827	1	167	ILE	CG1	C	28.4400	1
1828	1	167	ILE	CG2	C	18.5000	1
1829	1	167	ILE	CD1	C	13.6300	1
1830	1	167	ILE	N	N	119.2200	1
1831	1	168	PHE	H	H	8.5890	1
1832	1	168	PHE	HA	H	4.0930	1
1833	1	168	PHE	HB2	H	3.3000	1
1834	1	168	PHE	HB3	H	3.1200	1
1835	1	168	PHE	HD1	H	7.1430	1
1836	1	168	PHE	C	C	176.1300	1
1837	1	168	PHE	CA	C	61.7000	1
1838	1	168	PHE	CB	C	40.1400	1
1839	1	168	PHE	CD1	C	131.7700	1
1840	1	168	PHE	N	N	120.5200	1
1841	1	169	LEU	H	H	8.4980	1
1842	1	169	LEU	HA	H	3.8000	1
1843	1	169	LEU	HB2	H	1.9150	1
1844	1	169	LEU	HB3	H	1.2550	1
1845	1	169	LEU	HD11	H	0.6850	1
1846	1	169	LEU	HD12	H	0.6850	1
1847	1	169	LEU	HD13	H	0.6850	1
1848	1	169	LEU	HD21	H	0.6640	1
1849	1	169	LEU	HD22	H	0.6640	1
1850	1	169	LEU	HD23	H	0.6640	1
1851	1	169	LEU	C	C	178.3900	1
1852	1	169	LEU	CA	C	57.0400	1
1853	1	169	LEU	CB	C	41.5000	1
1854	1	169	LEU	CD1	C	27.0100	1
1855	1	169	LEU	CD2	C	20.9100	1
1856	1	169	LEU	N	N	117.2400	1
1857	1	170	LYS	H	H	7.4950	1
1858	1	170	LYS	HA	H	3.8680	1
1859	1	170	LYS	HB2	H	1.9110	1
1860	1	170	LYS	HG2	H	1.3670	1
1861	1	170	LYS	HD2	H	1.6700	1
1862	1	170	LYS	HE2	H	3.0130	1
1863	1	170	LYS	C	C	178.6700	1
1864	1	170	LYS	CA	C	58.9600	1
1865	1	170	LYS	CB	C	32.0800	1
1866	1	170	LYS	CG	C	24.9000	1
1867	1	170	LYS	CD	C	29.3000	1
1868	1	170	LYS	CE	C	41.9200	1
1869	1	170	LYS	N	N	121.3500	1
1870	1	171	PHE	H	H	7.7730	1
1871	1	171	PHE	HA	H	4.3430	1
1872	1	171	PHE	HB2	H	3.1620	1
1873	1	171	PHE	HB3	H	2.9780	1
1874	1	171	PHE	HD1	H	7.2460	1
1875	1	171	PHE	HE1	H	6.9510	1
1876	1	171	PHE	C	C	178.2900	1
1877	1	171	PHE	CA	C	60.8100	1
1878	1	171	PHE	CB	C	38.4300	1
1879	1	171	PHE	CD1	C	129.5100	1
1880	1	171	PHE	CE1	C	131.3130	1
1881	1	171	PHE	N	N	119.0300	1
1882	1	172	VAL	H	H	8.1970	1
1883	1	172	VAL	HA	H	3.4510	1
1884	1	172	VAL	HB	H	1.7400	1
1885	1	172	VAL	HG11	H	0.6340	1
1886	1	172	VAL	HG12	H	0.6340	1
1887	1	172	VAL	HG13	H	0.6340	1
1888	1	172	VAL	HG21	H	0.5230	1
1889	1	172	VAL	HG22	H	0.5230	1
1890	1	172	VAL	HG23	H	0.5230	1
1891	1	172	VAL	C	C	175.6900	1
1892	1	172	VAL	CA	C	64.2400	1
1893	1	172	VAL	CB	C	31.4500	1
1894	1	172	VAL	CG1	C	22.2600	1
1895	1	172	VAL	CG2	C	22.8700	1
1896	1	172	VAL	N	N	116.9000	1
1897	1	173	GLN	H	H	6.9360	1
1898	1	173	GLN	HA	H	4.0650	1
1899	1	173	GLN	HB2	H	2.2000	1
1900	1	173	GLN	HG2	H	2.5400	1
1901	1	173	GLN	C	C	176.8500	1
1902	1	173	GLN	CA	C	58.8700	1
1903	1	173	GLN	CB	C	28.2400	1
1904	1	173	GLN	CG	C	33.9000	1
1905	1	173	GLN	N	N	122.6400	1
1906	1	174	ALA	H	H	6.9060	1
1907	1	174	ALA	HA	H	4.0610	1
1908	1	174	ALA	HB1	H	1.3650	1
1909	1	174	ALA	HB2	H	1.3650	1
1910	1	174	ALA	HB3	H	1.3650	1
1911	1	174	ALA	C	C	178.8100	1
1912	1	174	ALA	CA	C	53.7600	1
1913	1	174	ALA	CB	C	18.7900	1
1914	1	174	ALA	N	N	114.5300	1
1915	1	175	VAL	H	H	7.7670	1
1916	1	175	VAL	HA	H	3.5580	1
1917	1	175	VAL	HB	H	2.1390	1
1918	1	175	VAL	HG11	H	0.3940	1
1919	1	175	VAL	HG12	H	0.3940	1
1920	1	175	VAL	HG13	H	0.3940	1
1921	1	175	VAL	HG21	H	0.8540	1
1922	1	175	VAL	HG22	H	0.8540	1
1923	1	175	VAL	HG23	H	0.8540	1
1924	1	175	VAL	C	C	174.7500	1
1925	1	175	VAL	CA	C	64.3300	1
1926	1	175	VAL	CB	C	31.6200	1
1927	1	175	VAL	CG1	C	21.0100	1
1928	1	175	VAL	CG2	C	22.4400	1
1929	1	175	VAL	N	N	116.7400	1
1930	1	176	ILE	H	H	6.9290	1
1931	1	176	ILE	HA	H	5.0380	1
1932	1	176	ILE	HB	H	2.0640	1
1933	1	176	ILE	HG21	H	0.8680	1
1934	1	176	ILE	HG22	H	0.8680	1
1935	1	176	ILE	HG23	H	0.8680	1
1936	1	176	ILE	HD11	H	0.8130	1
1937	1	176	ILE	HD12	H	0.8130	1
1938	1	176	ILE	HD13	H	0.8130	1
1939	1	176	ILE	C	C	174.8700	1
1940	1	176	ILE	CA	C	57.6900	1
1941	1	176	ILE	CB	C	38.2300	1
1942	1	176	ILE	CG1	C	27.2500	1
1943	1	176	ILE	CG2	C	19.3100	1
1944	1	176	ILE	CD1	C	15.5700	1
1945	1	176	ILE	N	N	110.4500	1
1946	1	177	PRO	HA	H	4.6510	1
1947	1	177	PRO	HB2	H	2.0720	1
1948	1	177	PRO	HB3	H	2.3700	1
1949	1	177	PRO	HG2	H	2.3200	1
1950	1	177	PRO	HG3	H	2.1270	1
1951	1	177	PRO	HD2	H	3.6180	1
1952	1	177	PRO	HD3	H	3.3610	1
1953	1	177	PRO	C	C	178.8300	1
1954	1	177	PRO	CA	C	65.5800	1
1955	1	177	PRO	CB	C	33.0600	1
1956	1	177	PRO	CG	C	28.1400	1
1957	1	177	PRO	CD	C	50.3700	1
1958	1	178	THR	H	H	9.3930	1
1959	1	178	THR	HA	H	4.7680	1
1960	1	178	THR	HB	H	4.7860	1
1961	1	178	THR	HG21	H	0.9940	1
1962	1	178	THR	HG22	H	0.9940	1
1963	1	178	THR	HG23	H	0.9940	1
1964	1	178	THR	C	C	174.2900	1
1965	1	178	THR	CA	C	60.1100	1
1966	1	178	THR	CB	C	69.2200	1
1967	1	178	THR	CG2	C	22.2200	1
1968	1	178	THR	N	N	109.9900	1
1969	1	179	ILE	H	H	7.4370	1
1970	1	179	ILE	HA	H	4.1710	1
1971	1	179	ILE	HB	H	2.0300	1
1972	1	179	ILE	HG21	H	0.8340	1
1973	1	179	ILE	HG22	H	0.8340	1
1974	1	179	ILE	HG23	H	0.8340	1
1975	1	179	ILE	HD11	H	0.0090	1
1976	1	179	ILE	HD12	H	0.0090	1
1977	1	179	ILE	HD13	H	0.0090	1
1978	1	179	ILE	C	C	175.6800	1
1979	1	179	ILE	CA	C	63.0800	1
1980	1	179	ILE	CB	C	37.3100	1
1981	1	179	ILE	CG1	C	27.8900	1
1982	1	179	ILE	CG2	C	18.8100	1
1983	1	179	ILE	CD1	C	11.7800	1
1984	1	179	ILE	N	N	125.6400	1
1985	1	180	GLU	H	H	8.2090	1
1986	1	180	GLU	HA	H	4.5410	1
1987	1	180	GLU	HB2	H	1.9600	1
1988	1	180	GLU	HG2	H	2.1670	1
1989	1	180	GLU	C	C	175.7200	1
1990	1	180	GLU	CA	C	56.2600	1
1991	1	180	GLU	CB	C	27.2900	1
1992	1	180	GLU	CG	C	35.6000	1
1993	1	180	GLU	N	N	129.6600	1
1994	1	181	TYR	H	H	7.4530	1
1995	1	181	TYR	HA	H	4.6970	1
1996	1	181	TYR	HB2	H	2.8300	1
1997	1	181	TYR	HB3	H	3.2290	1
1998	1	181	TYR	HD1	H	7.0840	1
1999	1	181	TYR	HE1	H	6.6560	1
2000	1	181	TYR	C	C	174.6200	1
2001	1	181	TYR	CA	C	55.9800	1
2002	1	181	TYR	CB	C	39.5400	1
2003	1	181	TYR	CD1	C	132.9500	1
2004	1	181	TYR	CE1	C	118.9190	1
2005	1	181	TYR	N	N	118.7400	1
2006	1	182	ASP	H	H	8.6830	1
2007	1	182	ASP	HA	H	5.0020	1
2008	1	182	ASP	HB2	H	2.8000	1
2009	1	182	ASP	HB3	H	2.7250	1
2010	1	182	ASP	C	C	175.8200	1
2011	1	182	ASP	CA	C	54.5800	1
2012	1	182	ASP	CB	C	42.9500	1
2013	1	182	ASP	N	N	120.6500	1
2014	1	183	TYR	H	H	7.9740	1
2015	1	183	TYR	HA	H	5.0290	1
2016	1	183	TYR	HB2	H	3.5700	1
2017	1	183	TYR	HB3	H	3.0890	1
2018	1	183	TYR	HD1	H	7.0730	1
2019	1	183	TYR	HE1	H	6.6300	1
2020	1	183	TYR	C	C	173.6500	1
2021	1	183	TYR	CA	C	57.7800	1
2022	1	183	TYR	CB	C	38.3000	1
2023	1	183	TYR	CD1	C	134.3400	1
2024	1	183	TYR	CE1	C	117.4780	1
2025	1	183	TYR	N	N	117.2300	1
2026	1	184	THR	H	H	7.1370	1
2027	1	184	THR	HA	H	4.2700	1
2028	1	184	THR	HB	H	4.0680	1
2029	1	184	THR	HG21	H	1.0880	1
2030	1	184	THR	HG22	H	1.0880	1
2031	1	184	THR	HG23	H	1.0880	1
2032	1	184	THR	C	C	173.6300	1
2033	1	184	THR	CA	C	61.6400	1
2034	1	184	THR	CB	C	69.5100	1
2035	1	184	THR	CG2	C	21.7000	1
2036	1	184	THR	N	N	114.2300	1
2037	1	185	ARG	H	H	8.2510	1
2038	1	185	ARG	HA	H	4.1160	1
2039	1	185	ARG	HB2	H	1.6450	1
2040	1	185	ARG	HB3	H	1.5860	1
2041	1	185	ARG	HG2	H	1.4420	1
2042	1	185	ARG	HG3	H	1.3890	1
2043	1	185	ARG	HD2	H	2.9970	1
2044	1	185	ARG	C	C	175.9200	1
2045	1	185	ARG	CA	C	56.5900	1
2046	1	185	ARG	CB	C	30.3700	1
2047	1	185	ARG	CG	C	27.3200	1
2048	1	185	ARG	CD	C	43.1600	1
2049	1	185	ARG	N	N	123.2600	1
2050	1	186	HIS	H	H	8.2460	1
2051	1	186	HIS	HA	H	4.6700	1
2052	1	186	HIS	HB2	H	3.0800	1
2053	1	186	HIS	HD2	H	7.1880	1
2054	1	186	HIS	C	C	174.3400	1
2055	1	186	HIS	CA	C	55.3000	1
2056	1	186	HIS	CB	C	30.4000	1
2057	1	186	HIS	CD2	C	120.0500	1
2058	1	186	HIS	N	N	119.4600	1
2059	1	187	PHE	HA	H	4.8080	1
2060	1	187	PHE	HB2	H	3.2130	1
2061	1	187	PHE	HB3	H	3.0900	1
2062	1	187	PHE	HD1	H	7.2600	1
2063	1	187	PHE	HE1	H	7.2600	1
2064	1	187	PHE	C	C	175.1600	1
2065	1	187	PHE	CA	C	57.1300	1
2066	1	187	PHE	CB	C	39.5100	1
2067	1	187	PHE	CD1	C	131.9800	1
2068	1	188	THR	H	H	8.1020	1
2069	1	188	THR	HA	H	4.4370	1
2070	1	188	THR	HB	H	4.2800	1
2071	1	188	THR	HG21	H	1.2160	1
2072	1	188	THR	HG22	H	1.2160	1
2073	1	188	THR	HG23	H	1.2160	1
2074	1	188	THR	C	C	173.2700	1
2075	1	188	THR	CA	C	61.4600	1
2076	1	188	THR	CB	C	69.9900	1
2077	1	188	THR	CG2	C	21.5500	1
2078	1	188	THR	N	N	115.4400	1
2079	1	189	MET	H	H	8.0580	1
2080	1	189	MET	HA	H	4.3610	1
2081	1	189	MET	HB2	H	2.1700	1
2082	1	189	MET	HB3	H	2.0340	1
2083	1	189	MET	HG2	H	2.5920	1
2084	1	189	MET	HE1	H	2.1240	1
2085	1	189	MET	HE2	H	2.1240	1
2086	1	189	MET	HE3	H	2.1240	1
2087	1	189	MET	C	C	176.3800	1
2088	1	189	MET	CA	C	57.4000	1
2089	1	189	MET	CB	C	33.8500	1
2090	1	189	MET	CG	C	32.6000	1
2091	1	189	MET	CE	C	17.1200	1
2092	1	189	MET	N	N	127.5500	1

Release date

2023-01-31

Citation

Translating Membrane Geometry into Protein Function: Multifaceted Membrane Interactions of Human Atg3 Promote LC3-Phosphatidylethanolamine Conjugation during Autophagy
Ye, Y.S., Tian, F., Tyndall, E.R., Bui, V., Bewley, M.C., Wang, G.F., Hong, X.P., Shen, Y., Flanagan, J.M., Wang, H.G.

Related entities 1. Ubiquitin-like-conjugating enzyme ATG3 (E.C.2.3.2.-), : 1 : 17 entities Detail

Experiments performed 20 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE II - 600 MHz

Sample

State isotropic, Solvent system 96% H2O/4% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 150 mM NaCl, 50 mM HEPES, 2 mM TCEP, 0.5 mM [U-13C; U-15N] human Atg3, 96% H2O/4% D2O

#	Name	Isotope labeling	Concentration
1	NaCl	natural abundance	150 mM
2	HEPES	natural abundance	50 mM
3	TCEP	natural abundance	2 mM
4	human Atg3	[U-13C; U-15N]	0.5 mM

2 2D 1H-13C HSQC

Instrument

Bruker AVANCE II - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NaCl	natural abundance	150 mM
2	HEPES	natural abundance	50 mM
3	TCEP	natural abundance	2 mM
4	human Atg3	[U-13C; U-15N]	0.5 mM

3 3D HNCO

Instrument

Bruker AVANCE II - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NaCl	natural abundance	150 mM
2	HEPES	natural abundance	50 mM
3	TCEP	natural abundance	2 mM
4	human Atg3	[U-13C; U-15N]	0.5 mM

4 3D HNCA

Instrument

Bruker AVANCE II - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NaCl	natural abundance	150 mM
2	HEPES	natural abundance	50 mM
3	TCEP	natural abundance	2 mM
4	human Atg3	[U-13C; U-15N]	0.5 mM

5 3D HN(CA)CO

Instrument

Bruker AVANCE II - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NaCl	natural abundance	150 mM
2	HEPES	natural abundance	50 mM
3	TCEP	natural abundance	2 mM
4	human Atg3	[U-13C; U-15N]	0.5 mM

6 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NaCl	natural abundance	150 mM
2	HEPES	natural abundance	50 mM
3	TCEP	natural abundance	2 mM
4	human Atg3	[U-13C; U-15N]	0.5 mM

7 3D 1H-13C NOESY

Instrument

Bruker AVANCE III - 850 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 150 mM NaCl, 50 mM HEPES, 2 mM TCEP, 0.5 mM [U-13C; U-15N] human Atg3, 100% D2O

#	Name	Isotope labeling	Concentration
25	NaCl	natural abundance	150 mM
26	HEPES	natural abundance	50 mM
27	TCEP	natural abundance	2 mM
28	human Atg3	[U-13C; U-15N]	0.5 mM

8 3D HN(COCA)CB

Instrument

Bruker AVANCE II - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NaCl	natural abundance	150 mM
2	HEPES	natural abundance	50 mM
3	TCEP	natural abundance	2 mM
4	human Atg3	[U-13C; U-15N]	0.5 mM

9 3D HNCACB

Instrument

Bruker AVANCE II - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NaCl	natural abundance	150 mM
2	HEPES	natural abundance	50 mM
3	TCEP	natural abundance	2 mM
4	human Atg3	[U-13C; U-15N]	0.5 mM

10 3D HCCH-TOCSY

Instrument

Bruker AVANCE II - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 150 mM NaCl, 50 mM HEPES, 2 mM TCEP, 0.5 mM [U-13C; U-15N] human Atg3, 100% D2O

#	Name	Isotope labeling	Concentration
25	NaCl	natural abundance	150 mM
26	HEPES	natural abundance	50 mM
27	TCEP	natural abundance	2 mM
28	human Atg3	[U-13C; U-15N]	0.5 mM

11 2D ARTSY

Instrument

Bruker AVANCE II - 600 MHz

Sample

State anisotropic, Solvent system 92% H2O/8% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 150 mM NaCl, 50 mM HEPES, 2 mM TCEP, 0.5 mM [U-13C; U-15N] human Atg3, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
29	NaCl	natural abundance	150 mM
30	HEPES	natural abundance	50 mM
31	TCEP	natural abundance	2 mM
32	human Atg3	[U-13C; U-15N]	0.5 mM

12 2D ARTSY

Instrument

Bruker AVANCE II - 600 MHz

Sample

State anisotropic, Solvent system 96% H2O/4% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 150 mM NaCl, 50 mM HEPES, 2 mM TCEP, 0.5 mM [U-13C; U-15N] human Atg3, 5 % neutral gel, 96% H2O/4% D2O

#	Name	Isotope labeling	Concentration
20	NaCl	natural abundance	150 mM
21	HEPES	natural abundance	50 mM
22	TCEP	natural abundance	2 mM
23	human Atg3	[U-13C; U-15N]	0.5 mM
24	neutral gel	natural abundance	5 %

13 2D ARTSY

Instrument

Bruker AVANCE II - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
15	NaCl	natural abundance	150 mM
16	HEPES	natural abundance	50 mM
17	TCEP	natural abundance	2 mM
18	human Atg3	[U-13C; U-15N]	0.5 mM
19	negative gel	natural abundance	5 %

14 2D ARTSY

Instrument

Bruker AVANCE II - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
10	NaCl	natural abundance	150 mM
11	HEPES	natural abundance	50 mM
12	TCEP	natural abundance	2 mM
13	human Atg3	[U-13C; U-15N]	0.5 mM
14	positive gel	natural abundance	7 %

15 2D ARTSY

Instrument

Bruker AVANCE II - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
5	NaCl	natural abundance	150 mM
6	HEPES	natural abundance	50 mM
7	TCEP	natural abundance	2 mM
8	human Atg3	[U-13C; U-15N]	0.5 mM
9	Pf1 phage	natural abundance	6.5 mg/mL

16 HBHA(CO)NH

Instrument

Bruker AVANCE II - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NaCl	natural abundance	150 mM
2	HEPES	natural abundance	50 mM
3	TCEP	natural abundance	2 mM
4	human Atg3	[U-13C; U-15N]	0.5 mM

17 2D Hb(CbCgCd)Hd

Instrument

Bruker AVANCE II - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 150 mM NaCl, 50 mM HEPES, 2 mM TCEP, 0.5 mM [U-13C; U-15N] human Atg3, 100% D2O

#	Name	Isotope labeling	Concentration
25	NaCl	natural abundance	150 mM
26	HEPES	natural abundance	50 mM
27	TCEP	natural abundance	2 mM
28	human Atg3	[U-13C; U-15N]	0.5 mM

18 2D Hb(CbCgCdCe)He

Instrument

Bruker AVANCE II - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 150 mM NaCl, 50 mM HEPES, 2 mM TCEP, 0.5 mM [U-13C; U-15N] human Atg3, 100% D2O

#	Name	Isotope labeling	Concentration
25	NaCl	natural abundance	150 mM
26	HEPES	natural abundance	50 mM
27	TCEP	natural abundance	2 mM
28	human Atg3	[U-13C; U-15N]	0.5 mM

19 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE II - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 150 mM NaCl, 50 mM HEPES, 2 mM TCEP, 0.5 mM [U-13C; U-15N] human Atg3, 100% D2O

#	Name	Isotope labeling	Concentration
25	NaCl	natural abundance	150 mM
26	HEPES	natural abundance	50 mM
27	TCEP	natural abundance	2 mM
28	human Atg3	[U-13C; U-15N]	0.5 mM

20 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE II - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 150 mM NaCl, 50 mM HEPES, 2 mM TCEP, 0.5 mM [U-13C; U-15N] human Atg3, 100% D2O

#	Name	Isotope labeling	Concentration
25	NaCl	natural abundance	150 mM
26	HEPES	natural abundance	50 mM
27	TCEP	natural abundance	2 mM
28	human Atg3	[U-13C; U-15N]	0.5 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr31065_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: bmr31065_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	2092		97.9 (chain: 1, length: 189)
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: 189, Sequence coverage: 97.9%
- Total number of assignments
  - ¹H chemical shifts: 1123
  - ¹³C chemical shifts: 804
  - ¹⁵N chemical shifts: 165
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1191	915	76.8
¹³C chemical shifts	913	804	88.1
¹⁵N chemical shifts	196	165	84.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	375	356	94.9
¹³C chemical shifts	378	367	97.1
¹⁵N chemical shifts	176	162	92.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	816	559	68.5
¹³C chemical shifts	535	437	81.7
¹⁵N chemical shifts	20	3	15.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	109	104	95.4
¹³C chemical shifts	109	104	95.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	123	66	53.7
¹³C chemical shifts	120	54	45.0
¹⁵N chemical shifts	3	3	100.0

Keywords Atg3, Autophagy, Conjugase, LIGASE

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Found 1 Document (0.631 seconds)

BMRB: 31065

Related entities 1. Ubiquitin-like-conjugating enzyme ATG3 (E.C.2.3.2.-), : 1 : 17 entities Detail

Experiments performed 20 experiments Detail

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Chemical shift validation 3 contents Detail