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BMRB: 52100

8U27

Solution NMR structure of Bcl-2-xL bound to compound 35

Authors

Pan, Y., Rizo, J.

Assembly

Bcl-2-xL/35 complex

Entity

1. Bcl-2-xL/35 complex, entity 1 (polymer, Thiol state: all free), 177 monomers, 20667.90 Da Detail

MAHAGRTGYD NREIVMKYIH YKLSQRGYEW DAGDDVEENR TEAPEGTESE VVHLTLRQAG DDFSRRYRRD FAEMSSQLHL TPFTARGRFA TVVEELFRDG VNWGRIVAFF EFGGVMCVES VNREMSPLVD NIALWMTEYL NRHLHTWIQD NGGWDAFVEL YGPSMRPLFD FSWLSLK

2. Bcl-2-xL/35 complex, entity 2 (non-polymer, Thiol state: not present), na Da

Formula weight

20667.9 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 1194, ¹³C: 753, ¹⁵N: 185 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err
1	1	1	MET	HA	H	4.440	0.03
2	1	1	MET	HE1	H	2.100	0.03
3	1	1	MET	HE2	H	2.100	0.03
4	1	1	MET	HE3	H	2.100	0.03
5	1	1	MET	C	C	176.000	0.3
6	1	1	MET	CA	C	55.500	0.3
7	1	1	MET	CB	C	33.300	0.3
8	1	1	MET	CE	C	16.600	0.3
9	1	2	ALA	H	H	8.530	0.03
10	1	2	ALA	HA	H	4.280	0.03
11	1	2	ALA	HB1	H	1.330	0.03
12	1	2	ALA	HB2	H	1.330	0.03
13	1	2	ALA	HB3	H	1.330	0.03
14	1	2	ALA	C	C	177.400	0.3
15	1	2	ALA	CA	C	52.600	0.3
16	1	2	ALA	CB	C	19.100	0.3
17	1	2	ALA	N	N	125.600	0.3
18	1	3	HIS	H	H	8.330	0.03
19	1	3	HIS	HA	H	4.570	0.03
20	1	3	HIS	HB2	H	3.110	0.03
21	1	3	HIS	HB3	H	3.110	0.03
22	1	3	HIS	HD2	H	7.040	0.03
23	1	3	HIS	C	C	175.100	0.3
24	1	3	HIS	CA	C	56.000	0.3
25	1	3	HIS	CB	C	30.600	0.3
26	1	3	HIS	CD2	C	119.800	0.3
27	1	3	HIS	N	N	118.800	0.3
28	1	4	ALA	H	H	8.360	0.03
29	1	4	ALA	HA	H	4.290	0.03
30	1	4	ALA	HB1	H	1.360	0.03
31	1	4	ALA	HB2	H	1.360	0.03
32	1	4	ALA	HB3	H	1.360	0.03
33	1	4	ALA	C	C	178.000	0.3
34	1	4	ALA	CA	C	52.600	0.3
35	1	4	ALA	CB	C	19.300	0.3
36	1	4	ALA	N	N	125.400	0.3
37	1	5	GLY	H	H	8.480	0.03
38	1	5	GLY	HA2	H	3.970	0.03
39	1	5	GLY	HA3	H	3.970	0.03
40	1	5	GLY	C	C	174.100	0.3
41	1	5	GLY	CA	C	45.200	0.3
42	1	5	GLY	N	N	108.500	0.3
43	1	6	ARG	H	H	8.270	0.03
44	1	6	ARG	HA	H	4.460	0.03
45	1	6	ARG	HB2	H	1.800	0.03
46	1	6	ARG	HB3	H	1.900	0.03
47	1	6	ARG	HG2	H	1.630	0.03
48	1	6	ARG	HG3	H	1.630	0.03
49	1	6	ARG	HD2	H	3.160	0.03
50	1	6	ARG	HD3	H	3.160	0.03
51	1	6	ARG	C	C	176.600	0.3
52	1	6	ARG	CA	C	56.100	0.3
53	1	6	ARG	CB	C	31.000	0.3
54	1	6	ARG	CG	C	27.100	0.3
55	1	6	ARG	CD	C	43.300	0.3
56	1	6	ARG	N	N	120.800	0.3
57	1	7	THR	H	H	8.400	0.03
58	1	7	THR	HA	H	4.350	0.03
59	1	7	THR	HB	H	4.200	0.03
60	1	7	THR	HG21	H	1.160	0.03
61	1	7	THR	HG22	H	1.160	0.03
62	1	7	THR	HG23	H	1.160	0.03
63	1	7	THR	C	C	174.800	0.3
64	1	7	THR	CA	C	62.000	0.3
65	1	7	THR	CB	C	69.800	0.3
66	1	7	THR	CG2	C	21.400	0.3
67	1	7	THR	N	N	115.700	0.3
68	1	8	GLY	H	H	8.360	0.03
69	1	8	GLY	HA2	H	3.920	0.03
70	1	8	GLY	HA3	H	3.950	0.03
71	1	8	GLY	C	C	173.300	0.3
72	1	8	GLY	CA	C	45.100	0.3
73	1	8	GLY	N	N	111.200	0.3
74	1	9	TYR	H	H	8.090	0.03
75	1	9	TYR	HA	H	4.590	0.03
76	1	9	TYR	HB2	H	2.870	0.03
77	1	9	TYR	HB3	H	2.940	0.03
78	1	9	TYR	HD1	H	7.160	0.03
79	1	9	TYR	HD2	H	7.160	0.03
80	1	9	TYR	HE1	H	6.780	0.03
81	1	9	TYR	HE2	H	6.780	0.03
82	1	9	TYR	C	C	175.100	0.3
83	1	9	TYR	CA	C	57.700	0.3
84	1	9	TYR	CB	C	40.100	0.3
85	1	9	TYR	CD1	C	133.100	0.3
86	1	9	TYR	CD2	C	133.100	0.3
87	1	9	TYR	CE1	C	118.200	0.3
88	1	9	TYR	CE2	C	118.200	0.3
89	1	9	TYR	N	N	119.100	0.3
90	1	10	ASP	H	H	8.770	0.03
91	1	10	ASP	HA	H	4.800	0.03
92	1	10	ASP	HB2	H	2.670	0.03
93	1	10	ASP	HB3	H	2.930	0.03
94	1	10	ASP	C	C	176.400	0.3
95	1	10	ASP	CA	C	53.300	0.3
96	1	10	ASP	CB	C	42.700	0.3
97	1	10	ASP	N	N	123.000	0.3
98	1	11	ASN	H	H	9.020	0.03
99	1	11	ASN	HA	H	4.710	0.03
100	1	11	ASN	HB2	H	2.760	0.03
101	1	11	ASN	HB3	H	3.080	0.03
102	1	11	ASN	HD21	H	7.900	0.03
103	1	11	ASN	HD22	H	7.090	0.03
104	1	11	ASN	C	C	176.800	0.3
105	1	11	ASN	CA	C	56.500	0.3
106	1	11	ASN	CB	C	38.600	0.3
107	1	11	ASN	N	N	124.700	0.3
108	1	11	ASN	ND2	N	110.900	0.3
109	1	12	ARG	H	H	8.310	0.03
110	1	12	ARG	HA	H	4.190	0.03
111	1	12	ARG	HB2	H	1.860	0.03
112	1	12	ARG	HB3	H	2.150	0.03
113	1	12	ARG	HG2	H	1.610	0.03
114	1	12	ARG	HG3	H	1.740	0.03
115	1	12	ARG	HD2	H	3.230	0.03
116	1	12	ARG	HD3	H	3.230	0.03
117	1	12	ARG	C	C	178.000	0.3
118	1	12	ARG	CA	C	59.500	0.3
119	1	12	ARG	CB	C	29.700	0.3
120	1	12	ARG	CG	C	27.800	0.3
121	1	12	ARG	CD	C	43.500	0.3
122	1	12	ARG	N	N	119.500	0.3
123	1	13	GLU	H	H	7.850	0.03
124	1	13	GLU	HA	H	3.980	0.03
125	1	13	GLU	HB2	H	2.200	0.03
126	1	13	GLU	HB3	H	2.320	0.03
127	1	13	GLU	HG2	H	2.350	0.03
128	1	13	GLU	HG3	H	2.350	0.03
129	1	13	GLU	C	C	178.300	0.3
130	1	13	GLU	CA	C	59.500	0.3
131	1	13	GLU	CB	C	30.000	0.3
132	1	13	GLU	CG	C	36.200	0.3
133	1	13	GLU	N	N	120.000	0.3
134	1	14	ILE	H	H	7.920	0.03
135	1	14	ILE	HA	H	3.750	0.03
136	1	14	ILE	HB	H	1.950	0.03
137	1	14	ILE	HG12	H	0.460	0.03
138	1	14	ILE	HG13	H	1.760	0.03
139	1	14	ILE	HG21	H	0.460	0.03
140	1	14	ILE	HG22	H	0.460	0.03
141	1	14	ILE	HG23	H	0.460	0.03
142	1	14	ILE	HD11	H	-0.070	0.03
143	1	14	ILE	HD12	H	-0.070	0.03
144	1	14	ILE	HD13	H	-0.070	0.03
145	1	14	ILE	C	C	179.200	0.3
146	1	14	ILE	CA	C	65.600	0.3
147	1	14	ILE	CB	C	38.200	0.3
148	1	14	ILE	CG1	C	29.500	0.3
149	1	14	ILE	CG2	C	18.000	0.3
150	1	14	ILE	CD1	C	12.600	0.3
151	1	14	ILE	N	N	118.200	0.3
152	1	15	VAL	H	H	7.970	0.03
153	1	15	VAL	HA	H	3.810	0.03
154	1	15	VAL	HB	H	2.460	0.03
155	1	15	VAL	HG11	H	1.170	0.03
156	1	15	VAL	HG12	H	1.170	0.03
157	1	15	VAL	HG13	H	1.170	0.03
158	1	15	VAL	HG21	H	1.190	0.03
159	1	15	VAL	HG22	H	1.190	0.03
160	1	15	VAL	HG23	H	1.190	0.03
161	1	15	VAL	C	C	177.500	0.3
162	1	15	VAL	CA	C	68.000	0.3
163	1	15	VAL	CB	C	32.500	0.3
164	1	15	VAL	CG1	C	22.600	0.3
165	1	15	VAL	CG2	C	24.300	0.3
166	1	15	VAL	N	N	119.900	0.3
167	1	16	MET	H	H	8.870	0.03
168	1	16	MET	HA	H	4.370	0.03
169	1	16	MET	HB2	H	2.100	0.03
170	1	16	MET	HB3	H	2.240	0.03
171	1	16	MET	HG2	H	2.470	0.03
172	1	16	MET	HG3	H	2.470	0.03
173	1	16	MET	HE1	H	1.950	0.03
174	1	16	MET	HE2	H	1.950	0.03
175	1	16	MET	HE3	H	1.950	0.03
176	1	16	MET	C	C	179.700	0.3
177	1	16	MET	CA	C	58.700	0.3
178	1	16	MET	CB	C	31.800	0.3
179	1	16	MET	CG	C	32.500	0.3
180	1	16	MET	CE	C	17.900	0.3
181	1	16	MET	N	N	116.500	0.3
182	1	17	LYS	H	H	8.800	0.03
183	1	17	LYS	HA	H	4.050	0.03
184	1	17	LYS	HB2	H	1.440	0.03
185	1	17	LYS	HB3	H	1.810	0.03
186	1	17	LYS	C	C	179.900	0.3
187	1	17	LYS	CA	C	59.800	0.3
188	1	17	LYS	CB	C	31.900	0.3
189	1	17	LYS	N	N	117.900	0.3
190	1	18	TYR	H	H	7.940	0.03
191	1	18	TYR	HA	H	4.160	0.03
192	1	18	TYR	HB2	H	3.290	0.03
193	1	18	TYR	HB3	H	3.390	0.03
194	1	18	TYR	HD1	H	6.910	0.03
195	1	18	TYR	HD2	H	6.910	0.03
196	1	18	TYR	HE1	H	6.750	0.03
197	1	18	TYR	HE2	H	6.750	0.03
198	1	18	TYR	C	C	178.000	0.3
199	1	18	TYR	CA	C	62.800	0.3
200	1	18	TYR	CB	C	39.400	0.3
201	1	18	TYR	CD1	C	132.700	0.3
202	1	18	TYR	CD2	C	132.700	0.3
203	1	18	TYR	CE1	C	118.000	0.3
204	1	18	TYR	CE2	C	118.000	0.3
205	1	18	TYR	N	N	124.000	0.3
206	1	19	ILE	H	H	8.610	0.03
207	1	19	ILE	HA	H	3.410	0.03
208	1	19	ILE	HB	H	1.950	0.03
209	1	19	ILE	HG12	H	1.180	0.03
210	1	19	ILE	HG13	H	1.780	0.03
211	1	19	ILE	HG21	H	0.190	0.03
212	1	19	ILE	HG22	H	0.190	0.03
213	1	19	ILE	HG23	H	0.190	0.03
214	1	19	ILE	HD11	H	0.780	0.03
215	1	19	ILE	HD12	H	0.780	0.03
216	1	19	ILE	HD13	H	0.780	0.03
217	1	19	ILE	C	C	177.900	0.3
218	1	19	ILE	CA	C	65.800	0.3
219	1	19	ILE	CB	C	38.100	0.3
220	1	19	ILE	CG1	C	29.000	0.3
221	1	19	ILE	CG2	C	18.200	0.3
222	1	19	ILE	CD1	C	14.000	0.3
223	1	19	ILE	N	N	119.100	0.3
224	1	20	HIS	H	H	8.910	0.03
225	1	20	HIS	HA	H	4.280	0.03
226	1	20	HIS	HB2	H	3.330	0.03
227	1	20	HIS	HB3	H	3.560	0.03
228	1	20	HIS	HD2	H	7.380	0.03
229	1	20	HIS	C	C	178.400	0.3
230	1	20	HIS	CA	C	61.400	0.3
231	1	20	HIS	CB	C	30.500	0.3
232	1	20	HIS	CD2	C	119.800	0.3
233	1	20	HIS	N	N	117.800	0.3
234	1	21	TYR	H	H	7.960	0.03
235	1	21	TYR	HA	H	4.290	0.03
236	1	21	TYR	HB2	H	3.090	0.03
237	1	21	TYR	HB3	H	3.260	0.03
238	1	21	TYR	HD1	H	6.840	0.03
239	1	21	TYR	HD2	H	6.840	0.03
240	1	21	TYR	HE1	H	6.760	0.03
241	1	21	TYR	HE2	H	6.760	0.03
242	1	21	TYR	C	C	177.500	0.3
243	1	21	TYR	CA	C	61.100	0.3
244	1	21	TYR	CB	C	37.800	0.3
245	1	21	TYR	CD1	C	133.300	0.3
246	1	21	TYR	CD2	C	133.300	0.3
247	1	21	TYR	CE1	C	117.500	0.3
248	1	21	TYR	CE2	C	117.500	0.3
249	1	21	TYR	N	N	120.400	0.3
250	1	22	LYS	H	H	8.110	0.03
251	1	22	LYS	HA	H	3.550	0.03
252	1	22	LYS	HB2	H	1.470	0.03
253	1	22	LYS	HB3	H	1.840	0.03
254	1	22	LYS	C	C	179.600	0.3
255	1	22	LYS	CA	C	57.400	0.3
256	1	22	LYS	CB	C	30.800	0.3
257	1	22	LYS	N	N	119.700	0.3
258	1	23	LEU	H	H	8.330	0.03
259	1	23	LEU	HA	H	3.930	0.03
260	1	23	LEU	HB2	H	1.600	0.03
261	1	23	LEU	HB3	H	1.840	0.03
262	1	23	LEU	HG	H	1.510	0.03
263	1	23	LEU	HD11	H	0.490	0.03
264	1	23	LEU	HD12	H	0.490	0.03
265	1	23	LEU	HD13	H	0.490	0.03
266	1	23	LEU	HD21	H	0.390	0.03
267	1	23	LEU	HD22	H	0.430	0.03
268	1	23	LEU	HD23	H	0.430	0.03
269	1	23	LEU	C	C	179.600	0.3
270	1	23	LEU	CA	C	58.000	0.3
271	1	23	LEU	CB	C	40.600	0.3
272	1	23	LEU	CG	C	27.400	0.3
273	1	23	LEU	CD1	C	23.500	0.3
274	1	23	LEU	CD2	C	27.200	0.3
275	1	23	LEU	N	N	117.400	0.3
276	1	24	SER	H	H	8.430	0.03
277	1	24	SER	HA	H	4.170	0.03
278	1	24	SER	HB2	H	3.880	0.03
279	1	24	SER	HB3	H	3.880	0.03
280	1	24	SER	C	C	178.500	0.3
281	1	24	SER	CA	C	61.700	0.3
282	1	24	SER	CB	C	62.500	0.3
283	1	24	SER	N	N	118.000	0.3
284	1	25	GLN	H	H	7.810	0.03
285	1	25	GLN	HA	H	3.910	0.03
286	1	25	GLN	HB2	H	1.890	0.03
287	1	25	GLN	HB3	H	1.930	0.03
288	1	25	GLN	HG2	H	1.890	0.03
289	1	25	GLN	HG3	H	1.890	0.03
290	1	25	GLN	HE21	H	7.300	0.03
291	1	25	GLN	HE22	H	6.970	0.03
292	1	25	GLN	C	C	176.900	0.3
293	1	25	GLN	CA	C	58.200	0.3
294	1	25	GLN	CB	C	29.200	0.3
295	1	25	GLN	N	N	121.900	0.3
296	1	25	GLN	NE2	N	114.400	0.3
297	1	26	ARG	H	H	7.140	0.03
298	1	26	ARG	HA	H	4.380	0.03
299	1	26	ARG	HB2	H	1.610	0.03
300	1	26	ARG	HB3	H	1.930	0.03
301	1	26	ARG	HG2	H	1.630	0.03
302	1	26	ARG	HG3	H	1.630	0.03
303	1	26	ARG	HD2	H	3.090	0.03
304	1	26	ARG	HD3	H	3.130	0.03
305	1	26	ARG	C	C	175.800	0.3
306	1	26	ARG	CA	C	53.700	0.3
307	1	26	ARG	CB	C	29.900	0.3
308	1	26	ARG	CG	C	26.900	0.3
309	1	26	ARG	CD	C	42.300	0.3
310	1	26	ARG	N	N	116.400	0.3
311	1	27	GLY	H	H	7.730	0.03
312	1	27	GLY	HA2	H	3.710	0.03
313	1	27	GLY	HA3	H	4.000	0.03
314	1	27	GLY	C	C	173.500	0.3
315	1	27	GLY	CA	C	45.600	0.3
316	1	27	GLY	N	N	107.600	0.3
317	1	28	TYR	H	H	7.800	0.03
318	1	28	TYR	HA	H	4.730	0.03
319	1	28	TYR	HB2	H	2.690	0.03
320	1	28	TYR	HB3	H	2.860	0.03
321	1	28	TYR	HD1	H	6.890	0.03
322	1	28	TYR	HD2	H	6.890	0.03
323	1	28	TYR	HE1	H	6.750	0.03
324	1	28	TYR	HE2	H	6.750	0.03
325	1	28	TYR	C	C	174.300	0.3
326	1	28	TYR	CA	C	56.000	0.3
327	1	28	TYR	CB	C	39.600	0.3
328	1	28	TYR	CD1	C	132.400	0.3
329	1	28	TYR	CD2	C	132.400	0.3
330	1	28	TYR	CE1	C	117.900	0.3
331	1	28	TYR	CE2	C	117.900	0.3
332	1	28	TYR	N	N	121.500	0.3
333	1	29	GLU	H	H	8.290	0.03
334	1	29	GLU	HA	H	4.260	0.03
335	1	29	GLU	HB2	H	1.780	0.03
336	1	29	GLU	HB3	H	1.890	0.03
337	1	29	GLU	HG2	H	2.140	0.03
338	1	29	GLU	HG3	H	2.130	0.03
339	1	29	GLU	C	C	174.300	0.3
340	1	29	GLU	CA	C	55.400	0.3
341	1	29	GLU	CB	C	30.400	0.3
342	1	29	GLU	CG	C	35.900	0.3
343	1	29	GLU	N	N	125.500	0.3
344	1	30	TRP	H	H	8.450	0.03
345	1	30	TRP	HA	H	4.710	0.03
346	1	30	TRP	HB2	H	2.940	0.03
347	1	30	TRP	HB3	H	3.170	0.03
348	1	30	TRP	HD1	H	7.280	0.03
349	1	30	TRP	HE1	H	10.110	0.03
350	1	30	TRP	HE3	H	7.060	0.03
351	1	30	TRP	HZ2	H	7.220	0.03
352	1	30	TRP	HZ3	H	7.310	0.03
353	1	30	TRP	HH2	H	7.060	0.03
354	1	30	TRP	C	C	174.400	0.3
355	1	30	TRP	CA	C	56.300	0.3
356	1	30	TRP	CB	C	30.700	0.3
357	1	30	TRP	CD1	C	125.800	0.3
358	1	30	TRP	CE3	C	119.300	0.3
359	1	30	TRP	CZ2	C	114.400	0.3
360	1	30	TRP	CZ3	C	121.100	0.3
361	1	30	TRP	CH2	C	123.800	0.3
362	1	30	TRP	N	N	126.900	0.3
363	1	30	TRP	NE1	N	130.800	0.3
364	1	31	ASP	H	H	8.180	0.03
365	1	31	ASP	HA	H	4.340	0.03
366	1	31	ASP	HB2	H	2.380	0.03
367	1	31	ASP	HB3	H	2.520	0.03
368	1	31	ASP	C	C	174.800	0.3
369	1	31	ASP	CA	C	53.700	0.3
370	1	31	ASP	CB	C	41.200	0.3
371	1	31	ASP	N	N	127.500	0.3
372	1	32	ALA	H	H	7.530	0.03
373	1	32	ALA	HA	H	3.530	0.03
374	1	32	ALA	HB1	H	0.780	0.03
375	1	32	ALA	HB2	H	0.780	0.03
376	1	32	ALA	HB3	H	0.780	0.03
377	1	32	ALA	C	C	177.900	0.3
378	1	32	ALA	CA	C	52.400	0.3
379	1	32	ALA	CB	C	19.000	0.3
380	1	32	ALA	N	N	125.000	0.3
381	1	33	GLY	H	H	8.040	0.03
382	1	33	GLY	HA2	H	3.670	0.03
383	1	33	GLY	HA3	H	3.720	0.03
384	1	33	GLY	C	C	174.000	0.3
385	1	33	GLY	CA	C	45.200	0.3
386	1	33	GLY	N	N	107.000	0.3
387	1	34	ASP	H	H	8.040	0.03
388	1	34	ASP	HA	H	4.460	0.03
389	1	34	ASP	HB2	H	2.480	0.03
390	1	34	ASP	HB3	H	2.580	0.03
391	1	34	ASP	C	C	176.000	0.3
392	1	34	ASP	CA	C	54.200	0.3
393	1	34	ASP	CB	C	41.300	0.3
394	1	34	ASP	N	N	120.000	0.3
395	1	35	ASP	H	H	8.330	0.03
396	1	35	ASP	HA	H	4.530	0.03
397	1	35	ASP	HB2	H	2.520	0.03
398	1	35	ASP	HB3	H	2.640	0.03
399	1	35	ASP	C	C	176.300	0.3
400	1	35	ASP	CA	C	54.200	0.3
401	1	35	ASP	CB	C	41.000	0.3
402	1	35	ASP	N	N	120.600	0.3
403	1	36	VAL	H	H	7.960	0.03
404	1	36	VAL	HA	H	4.030	0.03
405	1	36	VAL	HB	H	2.070	0.03
406	1	36	VAL	HG11	H	0.860	0.03
407	1	36	VAL	HG12	H	0.860	0.03
408	1	36	VAL	HG13	H	0.860	0.03
409	1	36	VAL	HG21	H	0.850	0.03
410	1	36	VAL	HG22	H	0.850	0.03
411	1	36	VAL	HG23	H	0.850	0.03
412	1	36	VAL	C	C	176.400	0.3
413	1	36	VAL	CA	C	62.400	0.3
414	1	36	VAL	CB	C	32.700	0.3
415	1	36	VAL	CG1	C	21.300	0.3
416	1	36	VAL	CG2	C	20.500	0.3
417	1	36	VAL	N	N	119.500	0.3
418	1	37	GLU	H	H	8.390	0.03
419	1	37	GLU	HA	H	4.160	0.03
420	1	37	GLU	HB2	H	1.910	0.03
421	1	37	GLU	HB3	H	1.950	0.03
422	1	37	GLU	HG2	H	2.220	0.03
423	1	37	GLU	HG3	H	2.220	0.03
424	1	37	GLU	C	C	176.800	0.3
425	1	37	GLU	CA	C	56.900	0.3
426	1	37	GLU	CB	C	30.100	0.3
427	1	37	GLU	CG	C	36.100	0.3
428	1	37	GLU	N	N	123.900	0.3
429	1	38	GLU	H	H	8.410	0.03
430	1	38	GLU	HA	H	4.160	0.03
431	1	38	GLU	HB2	H	1.910	0.03
432	1	38	GLU	HB3	H	1.970	0.03
433	1	38	GLU	HG2	H	2.200	0.03
434	1	38	GLU	HG3	H	2.230	0.03
435	1	38	GLU	C	C	176.200	0.3
436	1	38	GLU	CA	C	57.000	0.3
437	1	38	GLU	CB	C	30.200	0.3
438	1	38	GLU	CG	C	36.200	0.3
439	1	38	GLU	N	N	121.500	0.3
440	1	39	ASN	H	H	8.420	0.03
441	1	39	ASN	HA	H	4.660	0.03
442	1	39	ASN	HB2	H	2.720	0.03
443	1	39	ASN	HB3	H	2.840	0.03
444	1	39	ASN	HD21	H	7.640	0.03
445	1	39	ASN	HD22	H	6.920	0.03
446	1	39	ASN	C	C	175.100	0.3
447	1	39	ASN	CA	C	53.200	0.3
448	1	39	ASN	CB	C	38.700	0.3
449	1	39	ASN	N	N	119.000	0.3
450	1	39	ASN	ND2	N	113.100	0.3
451	1	40	ARG	H	H	8.220	0.03
452	1	40	ARG	HA	H	4.360	0.03
453	1	40	ARG	HB2	H	1.750	0.03
454	1	40	ARG	HB3	H	1.860	0.03
455	1	40	ARG	HG2	H	1.580	0.03
456	1	40	ARG	HG3	H	1.580	0.03
457	1	40	ARG	HD2	H	3.160	0.03
458	1	40	ARG	HD3	H	3.160	0.03
459	1	40	ARG	C	C	176.600	0.3
460	1	40	ARG	CA	C	56.300	0.3
461	1	40	ARG	CB	C	30.700	0.3
462	1	40	ARG	CG	C	27.200	0.3
463	1	40	ARG	CD	C	43.300	0.3
464	1	40	ARG	N	N	121.700	0.3
465	1	41	THR	H	H	8.250	0.03
466	1	41	THR	HA	H	4.290	0.03
467	1	41	THR	HB	H	4.190	0.03
468	1	41	THR	HG21	H	1.170	0.03
469	1	41	THR	HG22	H	1.170	0.03
470	1	41	THR	HG23	H	1.170	0.03
471	1	41	THR	C	C	174.400	0.3
472	1	41	THR	CA	C	62.200	0.3
473	1	41	THR	CB	C	69.800	0.3
474	1	41	THR	CG2	C	21.600	0.3
475	1	41	THR	N	N	115.600	0.3
476	1	42	GLU	H	H	8.340	0.03
477	1	42	GLU	HA	H	4.270	0.03
478	1	42	GLU	HB2	H	1.890	0.03
479	1	42	GLU	HB3	H	2.040	0.03
480	1	42	GLU	HG2	H	2.230	0.03
481	1	42	GLU	HG3	H	2.230	0.03
482	1	42	GLU	C	C	175.600	0.3
483	1	42	GLU	CA	C	56.300	0.3
484	1	42	GLU	CB	C	30.400	0.3
485	1	42	GLU	CG	C	36.100	0.3
486	1	42	GLU	N	N	122.800	0.3
487	1	43	ALA	H	H	8.320	0.03
488	1	43	ALA	HA	H	4.580	0.03
489	1	43	ALA	HB1	H	1.340	0.03
490	1	43	ALA	HB2	H	1.340	0.03
491	1	43	ALA	HB3	H	1.340	0.03
492	1	43	ALA	CA	C	50.500	0.3
493	1	43	ALA	CB	C	18.400	0.3
494	1	43	ALA	N	N	126.500	0.3
495	1	44	PRO	HA	H	4.400	0.03
496	1	44	PRO	HB2	H	1.920	0.03
497	1	44	PRO	HB3	H	2.270	0.03
498	1	44	PRO	HG2	H	2.000	0.03
499	1	44	PRO	HG3	H	2.000	0.03
500	1	44	PRO	HD2	H	3.640	0.03
501	1	44	PRO	HD3	H	3.740	0.03
502	1	44	PRO	C	C	177.100	0.3
503	1	44	PRO	CA	C	63.100	0.3
504	1	44	PRO	CB	C	32.100	0.3
505	1	44	PRO	CG	C	27.400	0.3
506	1	44	PRO	CD	C	50.400	0.3
507	1	45	GLU	H	H	8.660	0.03
508	1	45	GLU	HA	H	4.270	0.03
509	1	45	GLU	HB2	H	1.980	0.03
510	1	45	GLU	HB3	H	2.050	0.03
511	1	45	GLU	HG2	H	2.290	0.03
512	1	45	GLU	HG3	H	2.290	0.03
513	1	45	GLU	C	C	177.100	0.3
514	1	45	GLU	CA	C	56.900	0.3
515	1	45	GLU	CB	C	30.200	0.3
516	1	45	GLU	CG	C	36.300	0.3
517	1	45	GLU	N	N	121.000	0.3
518	1	46	GLY	H	H	8.530	0.03
519	1	46	GLY	HA2	H	4.030	0.03
520	1	46	GLY	HA3	H	4.080	0.03
521	1	46	GLY	C	C	174.600	0.3
522	1	46	GLY	CA	C	45.500	0.3
523	1	46	GLY	N	N	110.300	0.3
524	1	47	THR	H	H	8.110	0.03
525	1	47	THR	HA	H	4.390	0.03
526	1	47	THR	HB	H	4.300	0.03
527	1	47	THR	HG21	H	1.190	0.03
528	1	47	THR	HG22	H	1.190	0.03
529	1	47	THR	HG23	H	1.190	0.03
530	1	47	THR	C	C	175.500	0.3
531	1	47	THR	CA	C	62.200	0.3
532	1	47	THR	CB	C	69.800	0.3
533	1	47	THR	CG2	C	21.900	0.3
534	1	47	THR	N	N	113.200	0.3
535	1	48	GLU	H	H	8.900	0.03
536	1	48	GLU	HA	H	4.300	0.03
537	1	48	GLU	HB2	H	2.040	0.03
538	1	48	GLU	HB3	H	2.150	0.03
539	1	48	GLU	HG2	H	2.340	0.03
540	1	48	GLU	HG3	H	2.340	0.03
541	1	48	GLU	C	C	177.500	0.3
542	1	48	GLU	CA	C	57.900	0.3
543	1	48	GLU	CB	C	29.700	0.3
544	1	48	GLU	CG	C	36.500	0.3
545	1	48	GLU	N	N	123.400	0.3
546	1	49	SER	H	H	8.420	0.03
547	1	49	SER	HA	H	4.290	0.03
548	1	49	SER	HB2	H	3.830	0.03
549	1	49	SER	HB3	H	3.830	0.03
550	1	49	SER	C	C	175.300	0.3
551	1	49	SER	CA	C	59.500	0.3
552	1	49	SER	CB	C	63.400	0.3
553	1	49	SER	N	N	115.300	0.3
554	1	50	GLU	H	H	8.260	0.03
555	1	50	GLU	HA	H	4.310	0.03
556	1	50	GLU	HB2	H	2.120	0.03
557	1	50	GLU	HB3	H	2.160	0.03
558	1	50	GLU	HG2	H	2.340	0.03
559	1	50	GLU	HG3	H	2.340	0.03
560	1	50	GLU	C	C	177.600	0.3
561	1	50	GLU	CA	C	58.200	0.3
562	1	50	GLU	CB	C	29.800	0.3
563	1	50	GLU	CG	C	36.000	0.3
564	1	50	GLU	N	N	122.300	0.3
565	1	51	VAL	H	H	7.850	0.03
566	1	51	VAL	HA	H	3.800	0.03
567	1	51	VAL	HB	H	2.170	0.03
568	1	51	VAL	HG11	H	1.010	0.03
569	1	51	VAL	HG12	H	1.010	0.03
570	1	51	VAL	HG13	H	1.010	0.03
571	1	51	VAL	HG21	H	1.060	0.03
572	1	51	VAL	HG22	H	1.060	0.03
573	1	51	VAL	HG23	H	1.060	0.03
574	1	51	VAL	C	C	178.800	0.3
575	1	51	VAL	CA	C	66.000	0.3
576	1	51	VAL	CB	C	31.800	0.3
577	1	51	VAL	CG1	C	21.500	0.3
578	1	51	VAL	CG2	C	22.200	0.3
579	1	51	VAL	N	N	117.800	0.3
580	1	52	VAL	H	H	7.920	0.03
581	1	52	VAL	HA	H	3.380	0.03
582	1	52	VAL	HB	H	1.540	0.03
583	1	52	VAL	HG11	H	0.050	0.03
584	1	52	VAL	HG12	H	0.050	0.03
585	1	52	VAL	HG13	H	0.050	0.03
586	1	52	VAL	HG21	H	0.500	0.03
587	1	52	VAL	HG22	H	0.500	0.03
588	1	52	VAL	HG23	H	0.500	0.03
589	1	52	VAL	CA	C	67.000	0.3
590	1	52	VAL	CB	C	31.100	0.3
591	1	52	VAL	CG1	C	19.600	0.3
592	1	52	VAL	CG2	C	22.600	0.3
593	1	52	VAL	N	N	124.600	0.3
594	1	53	HIS	HA	H	4.260	0.03
595	1	53	HIS	C	C	179.800	0.3
596	1	54	LEU	H	H	8.360	0.03
597	1	54	LEU	HA	H	3.830	0.03
598	1	54	LEU	HB2	H	1.590	0.03
599	1	54	LEU	HB3	H	1.750	0.03
600	1	54	LEU	HG	H	1.710	0.03
601	1	54	LEU	HD11	H	0.860	0.03
602	1	54	LEU	HD12	H	0.860	0.03
603	1	54	LEU	HD13	H	0.860	0.03
604	1	54	LEU	HD21	H	0.790	0.03
605	1	54	LEU	HD22	H	0.790	0.03
606	1	54	LEU	HD23	H	0.790	0.03
607	1	54	LEU	C	C	179.100	0.3
608	1	54	LEU	CA	C	58.000	0.3
609	1	54	LEU	CB	C	41.800	0.3
610	1	54	LEU	CG	C	26.900	0.3
611	1	54	LEU	CD1	C	24.600	0.3
612	1	54	LEU	CD2	C	23.200	0.3
613	1	54	LEU	N	N	119.100	0.3
614	1	55	THR	H	H	8.150	0.03
615	1	55	THR	HA	H	3.920	0.03
616	1	55	THR	HB	H	4.190	0.03
617	1	55	THR	HG1	H	5.370	0.03
618	1	55	THR	HG21	H	0.950	0.03
619	1	55	THR	HG22	H	0.950	0.03
620	1	55	THR	HG23	H	0.950	0.03
621	1	55	THR	C	C	176.600	0.3
622	1	55	THR	CA	C	67.400	0.3
623	1	55	THR	CB	C	68.400	0.3
624	1	55	THR	CG2	C	22.800	0.3
625	1	55	THR	N	N	117.400	0.3
626	1	56	LEU	H	H	8.560	0.03
627	1	56	LEU	HA	H	4.250	0.03
628	1	56	LEU	HB2	H	1.440	0.03
629	1	56	LEU	HB3	H	1.710	0.03
630	1	56	LEU	HG	H	1.350	0.03
631	1	56	LEU	HD11	H	0.270	0.03
632	1	56	LEU	HD12	H	0.270	0.03
633	1	56	LEU	HD13	H	0.270	0.03
634	1	56	LEU	HD21	H	-0.250	0.03
635	1	56	LEU	HD22	H	-0.250	0.03
636	1	56	LEU	HD23	H	-0.250	0.03
637	1	56	LEU	C	C	178.500	0.3
638	1	56	LEU	CA	C	58.600	0.3
639	1	56	LEU	CB	C	42.300	0.3
640	1	56	LEU	CG	C	26.900	0.3
641	1	56	LEU	CD1	C	23.000	0.3
642	1	56	LEU	CD2	C	24.100	0.3
643	1	56	LEU	N	N	123.600	0.3
644	1	57	ARG	H	H	7.980	0.03
645	1	57	ARG	HB2	H	1.760	0.03
646	1	57	ARG	HB3	H	1.760	0.03
647	1	57	ARG	C	C	178.400	0.3
648	1	57	ARG	CA	C	59.000	0.3
649	1	57	ARG	CB	C	29.300	0.3
650	1	57	ARG	N	N	117.600	0.3
651	1	58	GLN	H	H	7.670	0.03
652	1	58	GLN	HA	H	4.220	0.03
653	1	58	GLN	HB2	H	2.250	0.03
654	1	58	GLN	HB3	H	2.320	0.03
655	1	58	GLN	HG2	H	2.490	0.03
656	1	58	GLN	HG3	H	2.600	0.03
657	1	58	GLN	HE21	H	7.520	0.03
658	1	58	GLN	HE22	H	6.920	0.03
659	1	58	GLN	C	C	178.600	0.3
660	1	58	GLN	CA	C	58.900	0.3
661	1	58	GLN	CB	C	28.700	0.3
662	1	58	GLN	CG	C	34.300	0.3
663	1	58	GLN	N	N	119.300	0.3
664	1	58	GLN	NE2	N	112.500	0.3
665	1	59	ALA	H	H	8.490	0.03
666	1	59	ALA	HA	H	4.510	0.03
667	1	59	ALA	HB1	H	1.710	0.03
668	1	59	ALA	HB2	H	1.710	0.03
669	1	59	ALA	HB3	H	1.710	0.03
670	1	59	ALA	C	C	181.500	0.3
671	1	59	ALA	CA	C	55.200	0.3
672	1	59	ALA	CB	C	19.100	0.3
673	1	59	ALA	N	N	123.000	0.3
674	1	60	GLY	H	H	9.300	0.03
675	1	60	GLY	HA2	H	3.760	0.03
676	1	60	GLY	HA3	H	4.940	0.03
677	1	60	GLY	C	C	175.900	0.3
678	1	60	GLY	CA	C	47.300	0.3
679	1	60	GLY	N	N	109.100	0.3
680	1	61	ASP	H	H	8.440	0.03
681	1	61	ASP	HA	H	4.510	0.03
682	1	61	ASP	HB2	H	2.720	0.03
683	1	61	ASP	HB3	H	2.980	0.03
684	1	61	ASP	C	C	179.500	0.3
685	1	61	ASP	CA	C	57.400	0.3
686	1	61	ASP	CB	C	40.500	0.3
687	1	61	ASP	N	N	122.700	0.3
688	1	62	ASP	H	H	8.390	0.03
689	1	62	ASP	HA	H	4.510	0.03
690	1	62	ASP	HB2	H	2.980	0.03
691	1	62	ASP	HB3	H	3.170	0.03
692	1	62	ASP	C	C	178.400	0.3
693	1	62	ASP	CA	C	57.800	0.3
694	1	62	ASP	CB	C	40.900	0.3
695	1	62	ASP	N	N	120.600	0.3
696	1	63	PHE	H	H	8.540	0.03
697	1	63	PHE	HA	H	4.270	0.03
698	1	63	PHE	HB2	H	3.290	0.03
699	1	63	PHE	HB3	H	3.290	0.03
700	1	63	PHE	HD1	H	7.310	0.03
701	1	63	PHE	HD2	H	7.310	0.03
702	1	63	PHE	C	C	177.100	0.3
703	1	63	PHE	CA	C	62.600	0.3
704	1	63	PHE	CB	C	40.400	0.3
705	1	63	PHE	N	N	123.400	0.3
706	1	64	SER	H	H	8.900	0.03
707	1	64	SER	HA	H	4.140	0.03
708	1	64	SER	HB2	H	3.930	0.03
709	1	64	SER	HB3	H	3.930	0.03
710	1	64	SER	C	C	177.000	0.3
711	1	64	SER	CA	C	62.600	0.3
712	1	64	SER	N	N	114.700	0.3
713	1	65	ARG	H	H	7.820	0.03
714	1	65	ARG	HA	H	4.080	0.03
715	1	65	ARG	HB2	H	2.000	0.03
716	1	65	ARG	HB3	H	2.000	0.03
717	1	65	ARG	HG2	H	1.580	0.03
718	1	65	ARG	HG3	H	1.810	0.03
719	1	65	ARG	HD2	H	3.250	0.03
720	1	65	ARG	HD3	H	3.250	0.03
721	1	65	ARG	C	C	179.500	0.3
722	1	65	ARG	CA	C	59.400	0.3
723	1	65	ARG	CB	C	30.700	0.3
724	1	65	ARG	CG	C	28.200	0.3
725	1	65	ARG	CD	C	43.500	0.3
726	1	65	ARG	N	N	119.000	0.3
727	1	66	ARG	H	H	8.210	0.03
728	1	66	ARG	HA	H	3.910	0.03
729	1	66	ARG	HB2	H	1.580	0.03
730	1	66	ARG	HB3	H	1.780	0.03
731	1	66	ARG	HG2	H	0.950	0.03
732	1	66	ARG	HG3	H	1.230	0.03
733	1	66	ARG	HD2	H	3.100	0.03
734	1	66	ARG	HD3	H	3.100	0.03
735	1	66	ARG	C	C	178.200	0.3
736	1	66	ARG	CA	C	58.900	0.3
737	1	66	ARG	CB	C	30.200	0.3
738	1	66	ARG	CG	C	27.400	0.3
739	1	66	ARG	CD	C	43.500	0.3
740	1	66	ARG	N	N	121.000	0.3
741	1	67	TYR	H	H	7.850	0.03
742	1	67	TYR	HA	H	4.790	0.03
743	1	67	TYR	HB2	H	3.320	0.03
744	1	67	TYR	HB3	H	3.320	0.03
745	1	67	TYR	HD1	H	6.830	0.03
746	1	67	TYR	HD2	H	6.830	0.03
747	1	67	TYR	HE1	H	6.770	0.03
748	1	67	TYR	HE2	H	6.770	0.03
749	1	67	TYR	C	C	175.500	0.3
750	1	67	TYR	CA	C	58.200	0.3
751	1	67	TYR	CB	C	37.200	0.3
752	1	67	TYR	CD1	C	134.000	0.3
753	1	67	TYR	CD2	C	134.000	0.3
754	1	67	TYR	CE1	C	117.700	0.3
755	1	67	TYR	CE2	C	117.700	0.3
756	1	67	TYR	N	N	116.200	0.3
757	1	68	ARG	H	H	6.920	0.03
758	1	68	ARG	HA	H	4.210	0.03
759	1	68	ARG	HB2	H	1.890	0.03
760	1	68	ARG	HB3	H	2.200	0.03
761	1	68	ARG	HG2	H	1.680	0.03
762	1	68	ARG	HG3	H	1.680	0.03
763	1	68	ARG	HD2	H	3.230	0.03
764	1	68	ARG	HD3	H	3.320	0.03
765	1	68	ARG	C	C	179.000	0.3
766	1	68	ARG	CA	C	60.400	0.3
767	1	68	ARG	CB	C	30.400	0.3
768	1	68	ARG	CG	C	26.200	0.3
769	1	68	ARG	N	N	122.800	0.3
770	1	69	ARG	H	H	8.710	0.03
771	1	69	ARG	HA	H	4.010	0.03
772	1	69	ARG	HB2	H	1.680	0.03
773	1	69	ARG	HB3	H	1.740	0.03
774	1	69	ARG	HG2	H	1.480	0.03
775	1	69	ARG	HG3	H	1.630	0.03
776	1	69	ARG	HD2	H	3.090	0.03
777	1	69	ARG	HD3	H	3.090	0.03
778	1	69	ARG	C	C	178.200	0.3
779	1	69	ARG	CA	C	59.200	0.3
780	1	69	ARG	CB	C	29.700	0.3
781	1	69	ARG	CG	C	27.300	0.3
782	1	69	ARG	N	N	119.600	0.3
783	1	70	ASP	H	H	7.490	0.03
784	1	70	ASP	HA	H	3.790	0.03
785	1	70	ASP	HB2	H	-0.070	0.03
786	1	70	ASP	HB3	H	0.920	0.03
787	1	70	ASP	C	C	178.900	0.3
788	1	70	ASP	CA	C	56.900	0.3
789	1	70	ASP	CB	C	37.900	0.3
790	1	70	ASP	N	N	120.000	0.3
791	1	71	PHE	H	H	8.470	0.03
792	1	71	PHE	HA	H	4.150	0.03
793	1	71	PHE	HB2	H	3.250	0.03
794	1	71	PHE	HB3	H	3.250	0.03
795	1	71	PHE	HD1	H	7.500	0.03
796	1	71	PHE	HD2	H	7.500	0.03
797	1	71	PHE	HE1	H	7.500	0.03
798	1	71	PHE	HE2	H	7.500	0.03
799	1	71	PHE	HZ	H	7.400	0.03
800	1	71	PHE	C	C	178.600	0.3
801	1	71	PHE	CA	C	63.500	0.3
802	1	71	PHE	CB	C	39.100	0.3
803	1	71	PHE	CD1	C	132.700	0.3
804	1	71	PHE	CD2	C	132.700	0.3
805	1	71	PHE	CE1	C	131.000	0.3
806	1	71	PHE	CE2	C	131.000	0.3
807	1	71	PHE	CZ	C	128.800	0.3
808	1	71	PHE	N	N	118.500	0.3
809	1	72	ALA	H	H	8.000	0.03
810	1	72	ALA	HA	H	4.220	0.03
811	1	72	ALA	HB1	H	1.510	0.03
812	1	72	ALA	HB2	H	1.510	0.03
813	1	72	ALA	HB3	H	1.510	0.03
814	1	72	ALA	C	C	180.800	0.3
815	1	72	ALA	CA	C	55.200	0.3
816	1	72	ALA	CB	C	17.800	0.3
817	1	72	ALA	N	N	122.600	0.3
818	1	73	GLU	H	H	7.980	0.03
819	1	73	GLU	HA	H	4.020	0.03
820	1	73	GLU	HB2	H	2.030	0.03
821	1	73	GLU	HB3	H	2.030	0.03
822	1	73	GLU	HG2	H	2.310	0.03
823	1	73	GLU	HG3	H	2.310	0.03
824	1	73	GLU	C	C	179.000	0.3
825	1	73	GLU	CA	C	59.300	0.3
826	1	73	GLU	CB	C	29.300	0.3
827	1	73	GLU	CG	C	36.100	0.3
828	1	73	GLU	N	N	120.400	0.3
829	1	74	MET	H	H	8.190	0.03
830	1	74	MET	HA	H	3.900	0.03
831	1	74	MET	HB2	H	1.730	0.03
832	1	74	MET	HB3	H	2.090	0.03
833	1	74	MET	HG2	H	2.320	0.03
834	1	74	MET	HG3	H	2.320	0.03
835	1	74	MET	HE1	H	2.110	0.03
836	1	74	MET	HE2	H	2.110	0.03
837	1	74	MET	HE3	H	2.110	0.03
838	1	74	MET	C	C	179.200	0.3
839	1	74	MET	CA	C	58.900	0.3
840	1	74	MET	CB	C	32.000	0.3
841	1	74	MET	CE	C	17.800	0.3
842	1	74	MET	N	N	120.800	0.3
843	1	75	SER	H	H	8.440	0.03
844	1	75	SER	HA	H	3.830	0.03
845	1	75	SER	HB2	H	3.990	0.03
846	1	75	SER	HB3	H	3.900	0.03
847	1	75	SER	C	C	177.300	0.3
848	1	75	SER	CA	C	62.100	0.3
849	1	75	SER	CB	C	62.800	0.3
850	1	75	SER	N	N	114.100	0.3
851	1	76	SER	H	H	7.790	0.03
852	1	76	SER	HA	H	4.330	0.03
853	1	76	SER	HB2	H	4.030	0.03
854	1	76	SER	HB3	H	4.030	0.03
855	1	76	SER	C	C	175.300	0.3
856	1	76	SER	CA	C	60.900	0.3
857	1	76	SER	CB	C	63.100	0.3
858	1	76	SER	N	N	114.300	0.3
859	1	77	GLN	H	H	7.360	0.03
860	1	77	GLN	HA	H	4.510	0.03
861	1	77	GLN	HB2	H	2.080	0.03
862	1	77	GLN	HB3	H	2.420	0.03
863	1	77	GLN	HG2	H	2.480	0.03
864	1	77	GLN	HG3	H	2.570	0.03
865	1	77	GLN	HE21	H	7.490	0.03
866	1	77	GLN	HE22	H	6.880	0.03
867	1	77	GLN	C	C	175.900	0.3
868	1	77	GLN	CA	C	55.200	0.3
869	1	77	GLN	CB	C	29.900	0.3
870	1	77	GLN	CG	C	33.800	0.3
871	1	77	GLN	N	N	118.200	0.3
872	1	77	GLN	NE2	N	112.000	0.3
873	1	78	LEU	H	H	7.210	0.03
874	1	78	LEU	HA	H	4.090	0.03
875	1	78	LEU	HB2	H	1.500	0.03
876	1	78	LEU	HB3	H	1.760	0.03
877	1	78	LEU	HG	H	1.580	0.03
878	1	78	LEU	HD11	H	0.610	0.03
879	1	78	LEU	HD12	H	0.610	0.03
880	1	78	LEU	HD13	H	0.610	0.03
881	1	78	LEU	HD21	H	0.580	0.03
882	1	78	LEU	HD22	H	0.580	0.03
883	1	78	LEU	HD23	H	0.580	0.03
884	1	78	LEU	C	C	176.200	0.3
885	1	78	LEU	CA	C	55.900	0.3
886	1	78	LEU	CB	C	43.600	0.3
887	1	78	LEU	CG	C	26.300	0.3
888	1	78	LEU	CD1	C	24.300	0.3
889	1	78	LEU	CD2	C	25.000	0.3
890	1	78	LEU	N	N	121.500	0.3
891	1	79	HIS	H	H	8.950	0.03
892	1	79	HIS	HA	H	4.910	0.03
893	1	79	HIS	HB2	H	3.030	0.03
894	1	79	HIS	HB3	H	3.220	0.03
895	1	79	HIS	HD2	H	7.000	0.03
896	1	79	HIS	HE1	H	7.840	0.03
897	1	79	HIS	C	C	173.800	0.3
898	1	79	HIS	CA	C	55.000	0.3
899	1	79	HIS	CB	C	30.400	0.3
900	1	79	HIS	CD2	C	118.700	0.3
901	1	79	HIS	CE1	C	138.100	0.3
902	1	79	HIS	N	N	126.400	0.3
903	1	80	LEU	H	H	8.330	0.03
904	1	80	LEU	HA	H	4.650	0.03
905	1	80	LEU	HB2	H	1.010	0.03
906	1	80	LEU	HB3	H	1.760	0.03
907	1	80	LEU	HD11	H	0.950	0.03
908	1	80	LEU	HD12	H	0.950	0.03
909	1	80	LEU	HD13	H	0.950	0.03
910	1	80	LEU	HD21	H	0.800	0.03
911	1	80	LEU	HD22	H	0.800	0.03
912	1	80	LEU	HD23	H	0.800	0.03
913	1	80	LEU	C	C	174.600	0.3
914	1	80	LEU	CA	C	53.800	0.3
915	1	80	LEU	CB	C	44.000	0.3
916	1	80	LEU	CD1	C	24.800	0.3
917	1	80	LEU	CD2	C	26.300	0.3
918	1	80	LEU	N	N	128.400	0.3
919	1	81	THR	H	H	8.850	0.03
920	1	81	THR	HA	H	5.030	0.03
921	1	81	THR	HB	H	4.500	0.03
922	1	81	THR	HG21	H	1.110	0.03
923	1	81	THR	HG22	H	1.110	0.03
924	1	81	THR	HG23	H	1.110	0.03
925	1	81	THR	CA	C	57.800	0.3
926	1	81	THR	CB	C	70.400	0.3
927	1	81	THR	CG2	C	21.300	0.3
928	1	81	THR	N	N	118.000	0.3
929	1	82	PRO	HA	H	4.340	0.03
930	1	82	PRO	HD2	H	3.890	0.03
931	1	82	PRO	HD3	H	4.040	0.03
932	1	83	PHE	HA	H	4.600	0.03
933	1	83	PHE	HB2	H	3.150	0.03
934	1	83	PHE	HB3	H	3.250	0.03
935	1	83	PHE	HD1	H	7.310	0.03
936	1	83	PHE	HD2	H	7.310	0.03
937	1	83	PHE	HE1	H	7.420	0.03
938	1	83	PHE	HE2	H	7.420	0.03
939	1	83	PHE	HZ	H	7.350	0.03
940	1	83	PHE	C	C	177.100	0.3
941	1	83	PHE	CA	C	59.400	0.3
942	1	83	PHE	CB	C	39.300	0.3
943	1	83	PHE	CD1	C	131.400	0.3
944	1	83	PHE	CD2	C	131.400	0.3
945	1	83	PHE	CE1	C	131.700	0.3
946	1	83	PHE	CE2	C	131.700	0.3
947	1	83	PHE	CZ	C	130.100	0.3
948	1	84	THR	H	H	7.330	0.03
949	1	84	THR	HG21	H	1.090	0.03
950	1	84	THR	HG22	H	1.090	0.03
951	1	84	THR	HG23	H	1.090	0.03
952	1	84	THR	C	C	176.100	0.3
953	1	84	THR	N	N	105.000	0.3
954	1	85	ALA	H	H	7.510	0.03
955	1	85	ALA	HA	H	3.960	0.03
956	1	85	ALA	HB1	H	1.880	0.03
957	1	85	ALA	HB2	H	1.880	0.03
958	1	85	ALA	HB3	H	1.880	0.03
959	1	85	ALA	C	C	176.800	0.3
960	1	85	ALA	CA	C	56.500	0.3
961	1	85	ALA	CB	C	19.400	0.3
962	1	85	ALA	N	N	124.500	0.3
963	1	86	ARG	H	H	8.480	0.03
964	1	86	ARG	HA	H	2.140	0.03
965	1	86	ARG	HB2	H	1.340	0.03
966	1	86	ARG	HB3	H	1.340	0.03
967	1	86	ARG	HG2	H	0.190	0.03
968	1	86	ARG	HG3	H	0.920	0.03
969	1	86	ARG	HD2	H	2.690	0.03
970	1	86	ARG	HD3	H	2.690	0.03
971	1	86	ARG	C	C	179.300	0.3
972	1	86	ARG	CA	C	59.700	0.3
973	1	86	ARG	CB	C	29.700	0.3
974	1	86	ARG	CG	C	26.700	0.3
975	1	86	ARG	CD	C	43.000	0.3
976	1	86	ARG	N	N	117.900	0.3
977	1	87	GLY	H	H	8.180	0.03
978	1	87	GLY	HA2	H	3.680	0.03
979	1	87	GLY	HA3	H	3.680	0.03
980	1	87	GLY	C	C	176.900	0.3
981	1	87	GLY	CA	C	46.100	0.3
982	1	87	GLY	N	N	106.200	0.3
983	1	88	ARG	H	H	7.540	0.03
984	1	88	ARG	HA	H	3.690	0.03
985	1	88	ARG	HB2	H	0.240	0.03
986	1	88	ARG	HB3	H	0.770	0.03
987	1	88	ARG	HG2	H	1.080	0.03
988	1	88	ARG	HG3	H	1.330	0.03
989	1	88	ARG	HD2	H	1.740	0.03
990	1	88	ARG	HD3	H	2.190	0.03
991	1	88	ARG	C	C	177.600	0.3
992	1	88	ARG	CA	C	58.500	0.3
993	1	88	ARG	CB	C	28.700	0.3
994	1	88	ARG	CG	C	26.900	0.3
995	1	88	ARG	CD	C	42.000	0.3
996	1	88	ARG	N	N	121.500	0.3
997	1	89	PHE	H	H	8.590	0.03
998	1	89	PHE	HA	H	3.970	0.03
999	1	89	PHE	HB2	H	3.130	0.03
1000	1	89	PHE	HB3	H	3.130	0.03
1001	1	89	PHE	HD1	H	7.460	0.03
1002	1	89	PHE	HD2	H	7.460	0.03
1003	1	89	PHE	HE1	H	7.120	0.03
1004	1	89	PHE	HE2	H	7.120	0.03
1005	1	89	PHE	HZ	H	7.000	0.03
1006	1	89	PHE	C	C	176.300	0.3
1007	1	89	PHE	CA	C	63.400	0.3
1008	1	89	PHE	CB	C	39.300	0.3
1009	1	89	PHE	CD1	C	132.400	0.3
1010	1	89	PHE	CD2	C	132.400	0.3
1011	1	89	PHE	CE1	C	131.000	0.3
1012	1	89	PHE	CE2	C	131.000	0.3
1013	1	89	PHE	CZ	C	128.800	0.3
1014	1	89	PHE	N	N	120.200	0.3
1015	1	90	ALA	H	H	7.720	0.03
1016	1	90	ALA	HA	H	3.920	0.03
1017	1	90	ALA	HB1	H	1.430	0.03
1018	1	90	ALA	HB2	H	1.430	0.03
1019	1	90	ALA	HB3	H	1.430	0.03
1020	1	90	ALA	C	C	179.700	0.3
1021	1	90	ALA	CA	C	55.000	0.3
1022	1	90	ALA	CB	C	18.100	0.3
1023	1	90	ALA	N	N	118.500	0.3
1024	1	91	THR	H	H	7.860	0.03
1025	1	91	THR	HA	H	3.800	0.03
1026	1	91	THR	HB	H	4.260	0.03
1027	1	91	THR	HG21	H	1.220	0.03
1028	1	91	THR	HG22	H	1.220	0.03
1029	1	91	THR	HG23	H	1.220	0.03
1030	1	91	THR	C	C	175.900	0.3
1031	1	91	THR	CA	C	66.900	0.3
1032	1	91	THR	CB	C	68.900	0.3
1033	1	91	THR	CG2	C	21.900	0.3
1034	1	91	THR	N	N	115.600	0.3
1035	1	92	VAL	H	H	7.740	0.03
1036	1	92	VAL	HA	H	2.880	0.03
1037	1	92	VAL	HB	H	1.820	0.03
1038	1	92	VAL	HG11	H	-0.220	0.03
1039	1	92	VAL	HG12	H	-0.220	0.03
1040	1	92	VAL	HG13	H	-0.220	0.03
1041	1	92	VAL	HG21	H	0.920	0.03
1042	1	92	VAL	HG22	H	0.920	0.03
1043	1	92	VAL	HG23	H	0.920	0.03
1044	1	92	VAL	C	C	176.900	0.3
1045	1	92	VAL	CA	C	66.900	0.3
1046	1	92	VAL	CB	C	31.400	0.3
1047	1	92	VAL	CG1	C	20.800	0.3
1048	1	92	VAL	CG2	C	23.000	0.3
1049	1	92	VAL	N	N	120.400	0.3
1050	1	93	VAL	H	H	7.760	0.03
1051	1	93	VAL	HA	H	3.150	0.03
1052	1	93	VAL	HB	H	1.520	0.03
1053	1	93	VAL	HG11	H	0.190	0.03
1054	1	93	VAL	HG12	H	0.190	0.03
1055	1	93	VAL	HG13	H	0.190	0.03
1056	1	93	VAL	HG21	H	0.430	0.03
1057	1	93	VAL	HG22	H	0.430	0.03
1058	1	93	VAL	HG23	H	0.430	0.03
1059	1	93	VAL	C	C	176.700	0.3
1060	1	93	VAL	CA	C	66.400	0.3
1061	1	93	VAL	CB	C	31.200	0.3
1062	1	93	VAL	CG1	C	21.500	0.3
1063	1	93	VAL	CG2	C	22.200	0.3
1064	1	93	VAL	N	N	115.600	0.3
1065	1	94	GLU	H	H	7.970	0.03
1066	1	94	GLU	HA	H	3.880	0.03
1067	1	94	GLU	HB2	H	1.940	0.03
1068	1	94	GLU	HB3	H	2.030	0.03
1069	1	94	GLU	HG2	H	2.160	0.03
1070	1	94	GLU	HG3	H	2.310	0.03
1071	1	94	GLU	C	C	179.700	0.3
1072	1	94	GLU	CA	C	58.900	0.3
1073	1	94	GLU	CB	C	29.200	0.3
1074	1	94	GLU	CG	C	36.500	0.3
1075	1	94	GLU	N	N	118.700	0.3
1076	1	95	GLU	H	H	7.430	0.03
1077	1	95	GLU	HA	H	3.920	0.03
1078	1	95	GLU	HB2	H	1.780	0.03
1079	1	95	GLU	HB3	H	1.820	0.03
1080	1	95	GLU	HG2	H	2.020	0.03
1081	1	95	GLU	HG3	H	2.170	0.03
1082	1	95	GLU	C	C	178.400	0.3
1083	1	95	GLU	CA	C	58.400	0.3
1084	1	95	GLU	CB	C	28.600	0.3
1085	1	95	GLU	CG	C	35.300	0.3
1086	1	95	GLU	N	N	117.900	0.3
1087	1	96	LEU	H	H	8.260	0.03
1088	1	96	LEU	HA	H	3.650	0.03
1089	1	96	LEU	HB2	H	0.860	0.03
1090	1	96	LEU	HB3	H	1.600	0.03
1091	1	96	LEU	HG	H	0.070	0.03
1092	1	96	LEU	HD11	H	0.650	0.03
1093	1	96	LEU	HD12	H	0.650	0.03
1094	1	96	LEU	HD13	H	0.650	0.03
1095	1	96	LEU	HD21	H	0.400	0.03
1096	1	96	LEU	HD22	H	0.400	0.03
1097	1	96	LEU	HD23	H	0.400	0.03
1098	1	96	LEU	C	C	177.300	0.3
1099	1	96	LEU	CA	C	57.400	0.3
1100	1	96	LEU	CB	C	41.900	0.3
1101	1	96	LEU	CG	C	26.200	0.3
1102	1	96	LEU	CD1	C	23.500	0.3
1103	1	96	LEU	CD2	C	26.200	0.3
1104	1	96	LEU	N	N	121.300	0.3
1105	1	97	PHE	H	H	7.070	0.03
1106	1	97	PHE	HA	H	4.870	0.03
1107	1	97	PHE	HB2	H	2.520	0.03
1108	1	97	PHE	HB3	H	3.230	0.03
1109	1	97	PHE	HD1	H	7.220	0.03
1110	1	97	PHE	HD2	H	7.220	0.03
1111	1	97	PHE	HE1	H	6.650	0.03
1112	1	97	PHE	HE2	H	6.650	0.03
1113	1	97	PHE	C	C	176.800	0.3
1114	1	97	PHE	CA	C	57.300	0.3
1115	1	97	PHE	CB	C	38.600	0.3
1116	1	97	PHE	CD1	C	132.700	0.3
1117	1	97	PHE	CD2	C	132.700	0.3
1118	1	97	PHE	CE1	C	129.900	0.3
1119	1	97	PHE	CE2	C	129.900	0.3
1120	1	97	PHE	N	N	111.300	0.3
1121	1	98	ARG	H	H	7.320	0.03
1122	1	98	ARG	HA	H	3.870	0.03
1123	1	98	ARG	HB2	H	1.650	0.03
1124	1	98	ARG	HB3	H	2.150	0.03
1125	1	98	ARG	HG2	H	1.560	0.03
1126	1	98	ARG	HG3	H	1.560	0.03
1127	1	98	ARG	HD2	H	3.090	0.03
1128	1	98	ARG	HD3	H	3.230	0.03
1129	1	98	ARG	C	C	177.500	0.3
1130	1	98	ARG	CA	C	60.200	0.3
1131	1	98	ARG	CB	C	30.000	0.3
1132	1	98	ARG	CG	C	26.200	0.3
1133	1	98	ARG	CD	C	43.100	0.3
1134	1	98	ARG	N	N	124.300	0.3
1135	1	99	ASP	H	H	8.680	0.03
1136	1	99	ASP	HA	H	4.810	0.03
1137	1	99	ASP	HB2	H	2.520	0.03
1138	1	99	ASP	HB3	H	2.760	0.03
1139	1	99	ASP	C	C	175.600	0.3
1140	1	99	ASP	CA	C	53.700	0.3
1141	1	99	ASP	CB	C	40.700	0.3
1142	1	99	ASP	N	N	115.800	0.3
1143	1	100	GLY	H	H	7.450	0.03
1144	1	100	GLY	HA2	H	3.690	0.03
1145	1	100	GLY	HA3	H	4.480	0.03
1146	1	100	GLY	C	C	172.000	0.3
1147	1	100	GLY	CA	C	43.900	0.3
1148	1	100	GLY	N	N	108.300	0.3
1149	1	101	VAL	H	H	8.170	0.03
1150	1	101	VAL	HA	H	3.590	0.03
1151	1	101	VAL	HB	H	0.060	0.03
1152	1	101	VAL	HG11	H	-0.690	0.03
1153	1	101	VAL	HG12	H	-0.690	0.03
1154	1	101	VAL	HG13	H	-0.690	0.03
1155	1	101	VAL	HG21	H	0.350	0.03
1156	1	101	VAL	HG22	H	0.350	0.03
1157	1	101	VAL	HG23	H	0.350	0.03
1158	1	101	VAL	C	C	174.600	0.3
1159	1	101	VAL	CA	C	62.200	0.3
1160	1	101	VAL	CB	C	32.800	0.3
1161	1	101	VAL	CG1	C	23.300	0.3
1162	1	101	VAL	CG2	C	21.100	0.3
1163	1	101	VAL	N	N	119.500	0.3
1164	1	102	ASN	H	H	6.330	0.03
1165	1	102	ASN	HA	H	4.550	0.03
1166	1	102	ASN	HB2	H	3.220	0.03
1167	1	102	ASN	HB3	H	3.080	0.03
1168	1	102	ASN	C	C	175.500	0.3
1169	1	102	ASN	CA	C	51.900	0.3
1170	1	102	ASN	CB	C	40.200	0.3
1171	1	102	ASN	N	N	115.400	0.3
1172	1	103	TRP	H	H	8.650	0.03
1173	1	103	TRP	HA	H	4.160	0.03
1174	1	103	TRP	HB2	H	3.320	0.03
1175	1	103	TRP	HB3	H	3.570	0.03
1176	1	103	TRP	HD1	H	7.590	0.03
1177	1	103	TRP	HE1	H	10.590	0.03
1178	1	103	TRP	HE3	H	7.230	0.03
1179	1	103	TRP	HZ2	H	7.210	0.03
1180	1	103	TRP	HZ3	H	5.820	0.03
1181	1	103	TRP	HH2	H	6.170	0.03
1182	1	103	TRP	C	C	178.000	0.3
1183	1	103	TRP	CA	C	60.800	0.3
1184	1	103	TRP	CB	C	30.900	0.3
1185	1	103	TRP	CD1	C	128.400	0.3
1186	1	103	TRP	CE3	C	121.000	0.3
1187	1	103	TRP	CZ2	C	115.500	0.3
1188	1	103	TRP	CZ3	C	121.000	0.3
1189	1	103	TRP	CH2	C	125.200	0.3
1190	1	103	TRP	N	N	118.200	0.3
1191	1	103	TRP	NE1	N	129.200	0.3
1192	1	104	GLY	H	H	8.200	0.03
1193	1	104	GLY	HA2	H	3.720	0.03
1194	1	104	GLY	HA3	H	3.760	0.03
1195	1	104	GLY	C	C	176.800	0.3
1196	1	104	GLY	CA	C	47.200	0.3
1197	1	104	GLY	N	N	106.900	0.3
1198	1	105	ARG	H	H	8.140	0.03
1199	1	105	ARG	HA	H	3.780	0.03
1200	1	105	ARG	HB2	H	1.530	0.03
1201	1	105	ARG	HB3	H	2.030	0.03
1202	1	105	ARG	C	C	177.500	0.3
1203	1	105	ARG	CA	C	59.000	0.3
1204	1	105	ARG	CB	C	31.400	0.3
1205	1	105	ARG	N	N	120.800	0.3
1206	1	106	ILE	H	H	7.680	0.03
1207	1	106	ILE	HA	H	3.920	0.03
1208	1	106	ILE	HB	H	2.360	0.03
1209	1	106	ILE	HG12	H	0.710	0.03
1210	1	106	ILE	HG13	H	1.630	0.03
1211	1	106	ILE	HG21	H	1.230	0.03
1212	1	106	ILE	HG22	H	1.230	0.03
1213	1	106	ILE	HG23	H	1.230	0.03
1214	1	106	ILE	HD11	H	0.230	0.03
1215	1	106	ILE	HD12	H	0.230	0.03
1216	1	106	ILE	HD13	H	0.230	0.03
1217	1	106	ILE	C	C	177.700	0.3
1218	1	106	ILE	CA	C	66.900	0.3
1219	1	106	ILE	CB	C	37.200	0.3
1220	1	106	ILE	CG1	C	30.600	0.3
1221	1	106	ILE	CG2	C	17.400	0.3
1222	1	106	ILE	CD1	C	14.200	0.3
1223	1	106	ILE	N	N	120.800	0.3
1224	1	107	VAL	H	H	8.400	0.03
1225	1	107	VAL	HA	H	3.490	0.03
1226	1	107	VAL	HB	H	2.270	0.03
1227	1	107	VAL	HG11	H	0.840	0.03
1228	1	107	VAL	HG12	H	0.840	0.03
1229	1	107	VAL	HG13	H	0.840	0.03
1230	1	107	VAL	HG21	H	1.150	0.03
1231	1	107	VAL	HG22	H	1.150	0.03
1232	1	107	VAL	HG23	H	1.150	0.03
1233	1	107	VAL	C	C	176.800	0.3
1234	1	107	VAL	CA	C	68.200	0.3
1235	1	107	VAL	CB	C	31.400	0.3
1236	1	107	VAL	CG1	C	21.100	0.3
1237	1	107	VAL	CG2	C	23.700	0.3
1238	1	107	VAL	N	N	122.100	0.3
1239	1	108	ALA	H	H	7.410	0.03
1240	1	108	ALA	HA	H	2.680	0.03
1241	1	108	ALA	HB1	H	0.590	0.03
1242	1	108	ALA	HB2	H	0.590	0.03
1243	1	108	ALA	HB3	H	0.590	0.03
1244	1	108	ALA	C	C	178.100	0.3
1245	1	108	ALA	CA	C	54.700	0.3
1246	1	108	ALA	CB	C	19.100	0.3
1247	1	108	ALA	N	N	120.000	0.3
1248	1	109	PHE	H	H	7.960	0.03
1249	1	109	PHE	HA	H	3.890	0.03
1250	1	109	PHE	HB2	H	3.270	0.03
1251	1	109	PHE	HB3	H	3.270	0.03
1252	1	109	PHE	HD1	H	6.980	0.03
1253	1	109	PHE	HD2	H	6.980	0.03
1254	1	109	PHE	HE1	H	6.880	0.03
1255	1	109	PHE	HE2	H	6.880	0.03
1256	1	109	PHE	HZ	H	7.850	0.03
1257	1	109	PHE	C	C	176.100	0.3
1258	1	109	PHE	CA	C	60.900	0.3
1259	1	109	PHE	CB	C	38.800	0.3
1260	1	109	PHE	CD1	C	132.300	0.3
1261	1	109	PHE	CD2	C	132.300	0.3
1262	1	109	PHE	CE1	C	130.100	0.3
1263	1	109	PHE	CE2	C	130.100	0.3
1264	1	109	PHE	CZ	C	128.800	0.3
1265	1	109	PHE	N	N	118.700	0.3
1266	1	110	PHE	H	H	8.180	0.03
1267	1	110	PHE	HA	H	3.450	0.03
1268	1	110	PHE	HB2	H	2.760	0.03
1269	1	110	PHE	HB3	H	2.760	0.03
1270	1	110	PHE	HD1	H	7.150	0.03
1271	1	110	PHE	HD2	H	7.150	0.03
1272	1	110	PHE	HE1	H	7.220	0.03
1273	1	110	PHE	HE2	H	7.220	0.03
1274	1	110	PHE	HZ	H	7.220	0.03
1275	1	110	PHE	C	C	177.400	0.3
1276	1	110	PHE	CA	C	62.900	0.3
1277	1	110	PHE	CB	C	37.700	0.3
1278	1	110	PHE	CD1	C	131.800	0.3
1279	1	110	PHE	CD2	C	131.800	0.3
1280	1	110	PHE	CE1	C	130.500	0.3
1281	1	110	PHE	CE2	C	130.500	0.3
1282	1	110	PHE	CZ	C	129.300	0.3
1283	1	110	PHE	N	N	119.300	0.3
1284	1	111	GLU	H	H	8.590	0.03
1285	1	111	GLU	HA	H	4.930	0.03
1286	1	111	GLU	C	C	178.400	0.3
1287	1	111	GLU	CA	C	58.400	0.3
1288	1	111	GLU	CB	C	28.700	0.3
1289	1	111	GLU	N	N	118.600	0.3
1290	1	112	PHE	H	H	9.080	0.03
1291	1	112	PHE	HA	H	4.460	0.03
1292	1	112	PHE	HB2	H	3.250	0.03
1293	1	112	PHE	HB3	H	3.500	0.03
1294	1	112	PHE	HD1	H	7.130	0.03
1295	1	112	PHE	HD2	H	7.130	0.03
1296	1	112	PHE	HE1	H	7.390	0.03
1297	1	112	PHE	HE2	H	7.390	0.03
1298	1	112	PHE	HZ	H	7.620	0.03
1299	1	112	PHE	C	C	176.800	0.3
1300	1	112	PHE	CA	C	61.300	0.3
1301	1	112	PHE	CB	C	39.700	0.3
1302	1	112	PHE	CZ	C	129.300	0.3
1303	1	112	PHE	N	N	118.800	0.3
1304	1	113	GLY	H	H	8.220	0.03
1305	1	113	GLY	HA2	H	3.240	0.03
1306	1	113	GLY	HA3	H	4.290	0.03
1307	1	113	GLY	C	C	176.300	0.3
1308	1	113	GLY	CA	C	48.000	0.3
1309	1	113	GLY	N	N	105.800	0.3
1310	1	114	GLY	H	H	9.160	0.03
1311	1	114	GLY	HA2	H	3.660	0.03
1312	1	114	GLY	HA3	H	3.660	0.03
1313	1	114	GLY	C	C	174.900	0.3
1314	1	114	GLY	CA	C	48.000	0.3
1315	1	114	GLY	N	N	108.000	0.3
1316	1	115	VAL	H	H	9.070	0.03
1317	1	115	VAL	HA	H	3.530	0.03
1318	1	115	VAL	HB	H	2.210	0.03
1319	1	115	VAL	HG11	H	0.930	0.03
1320	1	115	VAL	HG12	H	0.930	0.03
1321	1	115	VAL	HG13	H	0.930	0.03
1322	1	115	VAL	HG21	H	0.760	0.03
1323	1	115	VAL	HG22	H	0.760	0.03
1324	1	115	VAL	HG23	H	0.760	0.03
1325	1	115	VAL	C	C	178.400	0.3
1326	1	115	VAL	CA	C	66.900	0.3
1327	1	115	VAL	CB	C	31.300	0.3
1328	1	115	VAL	CG1	C	21.200	0.3
1329	1	115	VAL	CG2	C	24.200	0.3
1330	1	115	VAL	N	N	122.800	0.3
1331	1	116	MET	H	H	8.350	0.03
1332	1	116	MET	HA	H	4.360	0.03
1333	1	116	MET	HE1	H	1.580	0.03
1334	1	116	MET	HE2	H	2.050	0.03
1335	1	116	MET	HE3	H	2.050	0.03
1336	1	116	MET	C	C	180.400	0.3
1337	1	116	MET	CA	C	56.300	0.3
1338	1	116	MET	CB	C	31.000	0.3
1339	1	116	MET	CE	C	17.700	0.3
1340	1	116	MET	N	N	118.200	0.3
1341	1	117	CYS	H	H	7.980	0.03
1342	1	117	CYS	HA	H	3.810	0.03
1343	1	117	CYS	HB2	H	3.310	0.03
1344	1	117	CYS	HB3	H	3.310	0.03
1345	1	117	CYS	HG	H	3.080	0.03
1346	1	117	CYS	C	C	175.600	0.3
1347	1	117	CYS	CA	C	65.300	0.3
1348	1	117	CYS	CB	C	25.900	0.3
1349	1	117	CYS	N	N	121.500	0.3
1350	1	118	VAL	H	H	7.620	0.03
1351	1	118	VAL	HA	H	3.170	0.03
1352	1	118	VAL	HB	H	2.270	0.03
1353	1	118	VAL	HG11	H	0.840	0.03
1354	1	118	VAL	HG12	H	0.840	0.03
1355	1	118	VAL	HG13	H	0.840	0.03
1356	1	118	VAL	HG21	H	0.830	0.03
1357	1	118	VAL	HG22	H	0.830	0.03
1358	1	118	VAL	HG23	H	0.830	0.03
1359	1	118	VAL	C	C	178.000	0.3
1360	1	118	VAL	CA	C	67.100	0.3
1361	1	118	VAL	CB	C	31.400	0.3
1362	1	118	VAL	CG1	C	21.600	0.3
1363	1	118	VAL	CG2	C	23.300	0.3
1364	1	118	VAL	N	N	121.800	0.3
1365	1	119	GLU	H	H	8.910	0.03
1366	1	119	GLU	HA	H	3.900	0.03
1367	1	119	GLU	HB2	H	1.930	0.03
1368	1	119	GLU	HB3	H	2.270	0.03
1369	1	119	GLU	HG2	H	2.340	0.03
1370	1	119	GLU	HG3	H	2.340	0.03
1371	1	119	GLU	C	C	178.700	0.3
1372	1	119	GLU	CA	C	58.700	0.3
1373	1	119	GLU	CB	C	29.200	0.3
1374	1	119	GLU	CG	C	36.500	0.3
1375	1	119	GLU	N	N	118.100	0.3
1376	1	120	SER	H	H	7.730	0.03
1377	1	120	SER	C	C	175.900	0.3
1378	1	120	SER	CA	C	63.600	0.3
1379	1	120	SER	CB	C	62.200	0.3
1380	1	120	SER	N	N	115.400	0.3
1381	1	121	VAL	H	H	7.310	0.03
1382	1	121	VAL	HA	H	3.280	0.03
1383	1	121	VAL	HB	H	1.580	0.03
1384	1	121	VAL	HG11	H	0.160	0.03
1385	1	121	VAL	HG12	H	0.160	0.03
1386	1	121	VAL	HG13	H	0.160	0.03
1387	1	121	VAL	HG21	H	0.420	0.03
1388	1	121	VAL	HG22	H	0.420	0.03
1389	1	121	VAL	HG23	H	0.420	0.03
1390	1	121	VAL	C	C	180.100	0.3
1391	1	121	VAL	CA	C	66.500	0.3
1392	1	121	VAL	CB	C	31.200	0.3
1393	1	121	VAL	CG1	C	20.900	0.3
1394	1	121	VAL	CG2	C	22.200	0.3
1395	1	121	VAL	N	N	121.500	0.3
1396	1	122	ASN	H	H	8.560	0.03
1397	1	122	ASN	HA	H	4.360	0.03
1398	1	122	ASN	HB2	H	2.860	0.03
1399	1	122	ASN	HB3	H	2.960	0.03
1400	1	122	ASN	HD21	H	7.500	0.03
1401	1	122	ASN	HD22	H	6.590	0.03
1402	1	122	ASN	C	C	176.900	0.3
1403	1	122	ASN	CA	C	55.800	0.3
1404	1	122	ASN	CB	C	38.300	0.3
1405	1	122	ASN	N	N	121.100	0.3
1406	1	122	ASN	ND2	N	110.200	0.3
1407	1	123	ARG	H	H	7.510	0.03
1408	1	123	ARG	HA	H	4.430	0.03
1409	1	123	ARG	HB2	H	2.250	0.03
1410	1	123	ARG	HB3	H	2.250	0.03
1411	1	123	ARG	C	C	174.400	0.3
1412	1	123	ARG	CA	C	55.400	0.3
1413	1	123	ARG	CB	C	29.400	0.3
1414	1	123	ARG	N	N	116.700	0.3
1415	1	124	GLU	H	H	7.810	0.03
1416	1	124	GLU	HA	H	4.010	0.03
1417	1	124	GLU	HB2	H	2.300	0.03
1418	1	124	GLU	HB3	H	2.300	0.03
1419	1	124	GLU	HG2	H	2.210	0.03
1420	1	124	GLU	HG3	H	2.210	0.03
1421	1	124	GLU	C	C	175.900	0.3
1422	1	124	GLU	CA	C	57.700	0.3
1423	1	124	GLU	CB	C	26.300	0.3
1424	1	124	GLU	CG	C	37.100	0.3
1425	1	124	GLU	N	N	113.600	0.3
1426	1	125	MET	H	H	8.500	0.03
1427	1	125	MET	HA	H	4.830	0.03
1428	1	125	MET	HB2	H	1.760	0.03
1429	1	125	MET	HB3	H	2.210	0.03
1430	1	125	MET	HG2	H	2.500	0.03
1431	1	125	MET	HG3	H	2.530	0.03
1432	1	125	MET	HE1	H	2.170	0.03
1433	1	125	MET	HE2	H	2.170	0.03
1434	1	125	MET	HE3	H	2.170	0.03
1435	1	125	MET	C	C	176.100	0.3
1436	1	125	MET	CA	C	53.300	0.3
1437	1	125	MET	CB	C	33.200	0.3
1438	1	125	MET	CG	C	32.400	0.3
1439	1	125	MET	CE	C	18.100	0.3
1440	1	125	MET	N	N	119.100	0.3
1441	1	126	SER	H	H	8.320	0.03
1442	1	126	SER	HB2	H	3.880	0.03
1443	1	126	SER	HB3	H	4.020	0.03
1444	1	126	SER	CA	C	63.600	0.3
1445	1	126	SER	CB	C	62.500	0.3
1446	1	126	SER	N	N	117.300	0.3
1447	1	127	PRO	HA	H	4.450	0.03
1448	1	127	PRO	C	C	177.800	0.3
1449	1	127	PRO	CA	C	66.100	0.3
1450	1	128	LEU	H	H	7.900	0.03
1451	1	128	LEU	HA	H	4.010	0.03
1452	1	128	LEU	HB2	H	1.630	0.03
1453	1	128	LEU	HB3	H	1.810	0.03
1454	1	128	LEU	HG	H	1.740	0.03
1455	1	128	LEU	HD11	H	0.920	0.03
1456	1	128	LEU	HD12	H	0.920	0.03
1457	1	128	LEU	HD13	H	0.920	0.03
1458	1	128	LEU	HD21	H	0.920	0.03
1459	1	128	LEU	HD22	H	0.920	0.03
1460	1	128	LEU	HD23	H	0.920	0.03
1461	1	128	LEU	C	C	178.700	0.3
1462	1	128	LEU	CA	C	56.700	0.3
1463	1	128	LEU	CB	C	41.700	0.3
1464	1	128	LEU	CG	C	27.600	0.3
1465	1	128	LEU	CD1	C	25.400	0.3
1466	1	128	LEU	CD2	C	24.600	0.3
1467	1	128	LEU	N	N	114.700	0.3
1468	1	129	VAL	H	H	7.760	0.03
1469	1	129	VAL	HA	H	3.300	0.03
1470	1	129	VAL	HB	H	1.740	0.03
1471	1	129	VAL	HG11	H	-0.230	0.03
1472	1	129	VAL	HG12	H	-0.230	0.03
1473	1	129	VAL	HG13	H	-0.230	0.03
1474	1	129	VAL	HG21	H	0.680	0.03
1475	1	129	VAL	HG22	H	0.680	0.03
1476	1	129	VAL	HG23	H	0.680	0.03
1477	1	129	VAL	C	C	176.700	0.3
1478	1	129	VAL	CA	C	66.400	0.3
1479	1	129	VAL	CB	C	31.900	0.3
1480	1	129	VAL	CG1	C	20.500	0.3
1481	1	129	VAL	CG2	C	23.700	0.3
1482	1	129	VAL	N	N	118.700	0.3
1483	1	130	ASP	H	H	7.110	0.03
1484	1	130	ASP	HA	H	4.250	0.03
1485	1	130	ASP	HB2	H	2.570	0.03
1486	1	130	ASP	HB3	H	2.640	0.03
1487	1	130	ASP	C	C	178.800	0.3
1488	1	130	ASP	CA	C	57.300	0.3
1489	1	130	ASP	CB	C	40.800	0.3
1490	1	130	ASP	N	N	114.300	0.3
1491	1	131	ASN	H	H	6.730	0.03
1492	1	131	ASN	HA	H	3.860	0.03
1493	1	131	ASN	HB2	H	1.790	0.03
1494	1	131	ASN	HB3	H	2.130	0.03
1495	1	131	ASN	HD21	H	7.000	0.03
1496	1	131	ASN	HD22	H	6.860	0.03
1497	1	131	ASN	CA	C	55.500	0.3
1498	1	131	ASN	CB	C	38.300	0.3
1499	1	131	ASN	N	N	116.900	0.3
1500	1	131	ASN	ND2	N	110.400	0.3
1501	1	132	ILE	H	H	7.980	0.03
1502	1	132	ILE	HA	H	3.780	0.03
1503	1	132	ILE	HG12	H	0.400	0.03
1504	1	132	ILE	HG13	H	1.210	0.03
1505	1	132	ILE	HG21	H	0.470	0.03
1506	1	132	ILE	HG22	H	0.470	0.03
1507	1	132	ILE	HG23	H	0.470	0.03
1508	1	132	ILE	HD11	H	0.510	0.03
1509	1	132	ILE	HD12	H	0.510	0.03
1510	1	132	ILE	HD13	H	0.510	0.03
1511	1	132	ILE	C	C	177.700	0.3
1512	1	132	ILE	CA	C	65.500	0.3
1513	1	132	ILE	CB	C	37.100	0.3
1514	1	132	ILE	CG1	C	30.600	0.3
1515	1	132	ILE	CG2	C	18.000	0.3
1516	1	132	ILE	CD1	C	14.300	0.3
1517	1	132	ILE	N	N	119.900	0.3
1518	1	133	ALA	H	H	8.000	0.03
1519	1	133	ALA	HA	H	3.750	0.03
1520	1	133	ALA	HB1	H	1.430	0.03
1521	1	133	ALA	HB2	H	1.430	0.03
1522	1	133	ALA	HB3	H	1.430	0.03
1523	1	133	ALA	C	C	180.700	0.3
1524	1	133	ALA	CA	C	55.300	0.3
1525	1	133	ALA	CB	C	18.200	0.3
1526	1	133	ALA	N	N	119.700	0.3
1527	1	134	LEU	H	H	7.210	0.03
1528	1	134	LEU	HA	H	4.170	0.03
1529	1	134	LEU	HB2	H	1.660	0.03
1530	1	134	LEU	HB3	H	1.860	0.03
1531	1	134	LEU	HG	H	1.690	0.03
1532	1	134	LEU	HD11	H	0.990	0.03
1533	1	134	LEU	HD12	H	0.990	0.03
1534	1	134	LEU	HD13	H	0.990	0.03
1535	1	134	LEU	HD21	H	0.980	0.03
1536	1	134	LEU	HD22	H	0.980	0.03
1537	1	134	LEU	HD23	H	0.980	0.03
1538	1	134	LEU	C	C	179.000	0.3
1539	1	134	LEU	CA	C	58.400	0.3
1540	1	134	LEU	CB	C	41.300	0.3
1541	1	134	LEU	CG	C	27.100	0.3
1542	1	134	LEU	CD1	C	24.100	0.3
1543	1	134	LEU	CD2	C	25.200	0.3
1544	1	134	LEU	N	N	121.700	0.3
1545	1	135	TRP	H	H	8.670	0.03
1546	1	135	TRP	HA	H	4.730	0.03
1547	1	135	TRP	HB2	H	2.710	0.03
1548	1	135	TRP	HB3	H	2.950	0.03
1549	1	135	TRP	HD1	H	7.060	0.03
1550	1	135	TRP	HE1	H	10.350	0.03
1551	1	135	TRP	HE3	H	6.440	0.03
1552	1	135	TRP	HZ2	H	7.400	0.03
1553	1	135	TRP	HZ3	H	6.570	0.03
1554	1	135	TRP	HH2	H	6.980	0.03
1555	1	135	TRP	C	C	181.700	0.3
1556	1	135	TRP	CA	C	58.100	0.3
1557	1	135	TRP	CB	C	28.200	0.3
1558	1	135	TRP	CD1	C	125.800	0.3
1559	1	135	TRP	CE3	C	119.800	0.3
1560	1	135	TRP	CZ2	C	113.900	0.3
1561	1	135	TRP	CZ3	C	121.500	0.3
1562	1	135	TRP	CH2	C	123.200	0.3
1563	1	135	TRP	N	N	121.700	0.3
1564	1	135	TRP	NE1	N	128.800	0.3
1565	1	136	MET	H	H	9.180	0.03
1566	1	136	MET	HA	H	4.350	0.03
1567	1	136	MET	HB2	H	2.020	0.03
1568	1	136	MET	HB3	H	2.020	0.03
1569	1	136	MET	HG2	H	2.290	0.03
1570	1	136	MET	HG3	H	2.290	0.03
1571	1	136	MET	HE1	H	1.490	0.03
1572	1	136	MET	HE2	H	1.490	0.03
1573	1	136	MET	HE3	H	1.490	0.03
1574	1	136	MET	C	C	177.800	0.3
1575	1	136	MET	CA	C	60.300	0.3
1576	1	136	MET	CB	C	35.400	0.3
1577	1	136	MET	CE	C	16.600	0.3
1578	1	136	MET	N	N	118.600	0.3
1579	1	137	THR	H	H	8.240	0.03
1580	1	137	THR	HA	H	4.470	0.03
1581	1	137	THR	HB	H	3.780	0.03
1582	1	137	THR	HG1	H	4.720	0.03
1583	1	137	THR	HG21	H	1.220	0.03
1584	1	137	THR	HG22	H	1.220	0.03
1585	1	137	THR	HG23	H	1.220	0.03
1586	1	137	THR	C	C	175.900	0.3
1587	1	137	THR	CA	C	68.400	0.3
1588	1	137	THR	CB	C	68.600	0.3
1589	1	137	THR	CG2	C	21.800	0.3
1590	1	137	THR	N	N	117.600	0.3
1591	1	138	GLU	H	H	9.000	0.03
1592	1	138	GLU	HA	H	4.180	0.03
1593	1	138	GLU	HB2	H	2.160	0.03
1594	1	138	GLU	HB3	H	2.330	0.03
1595	1	138	GLU	HG2	H	2.330	0.03
1596	1	138	GLU	HG3	H	2.590	0.03
1597	1	138	GLU	C	C	178.400	0.3
1598	1	138	GLU	CA	C	59.700	0.3
1599	1	138	GLU	CB	C	29.900	0.3
1600	1	138	GLU	CG	C	36.9	0.3
1601	1	138	GLU	N	N	120.400	0.3
1602	1	139	TYR	H	H	8.340	0.03
1603	1	139	TYR	HA	H	4.160	0.03
1604	1	139	TYR	HB2	H	3.230	0.03
1605	1	139	TYR	HB3	H	3.230	0.03
1606	1	139	TYR	HD1	H	6.720	0.03
1607	1	139	TYR	HD2	H	6.720	0.03
1608	1	139	TYR	HE1	H	6.090	0.03
1609	1	139	TYR	HE2	H	6.090	0.03
1610	1	139	TYR	C	C	179.100	0.3
1611	1	139	TYR	CA	C	63.600	0.3
1612	1	139	TYR	CB	C	38.900	0.3
1613	1	139	TYR	CD1	C	132.500	0.3
1614	1	139	TYR	CD2	C	132.500	0.3
1615	1	139	TYR	CE1	C	118.500	0.3
1616	1	139	TYR	CE2	C	118.500	0.3
1617	1	139	TYR	N	N	120.400	0.3
1618	1	140	LEU	H	H	8.620	0.03
1619	1	140	LEU	HA	H	3.900	0.03
1620	1	140	LEU	HB2	H	2.000	0.03
1621	1	140	LEU	HB3	H	2.000	0.03
1622	1	140	LEU	HG	H	1.830	0.03
1623	1	140	LEU	HD11	H	1.210	0.03
1624	1	140	LEU	HD12	H	1.210	0.03
1625	1	140	LEU	HD13	H	1.210	0.03
1626	1	140	LEU	HD21	H	1.210	0.03
1627	1	140	LEU	HD22	H	1.210	0.03
1628	1	140	LEU	HD23	H	1.210	0.03
1629	1	140	LEU	C	C	178.200	0.3
1630	1	140	LEU	CA	C	59.100	0.3
1631	1	140	LEU	CB	C	42.700	0.3
1632	1	140	LEU	CG	C	28.000	0.3
1633	1	140	LEU	CD1	C	26.700	0.3
1634	1	140	LEU	CD2	C	26.700	0.3
1635	1	140	LEU	N	N	120.400	0.3
1636	1	141	ASN	H	H	8.630	0.03
1637	1	141	ASN	HA	H	4.460	0.03
1638	1	141	ASN	HB2	H	2.740	0.03
1639	1	141	ASN	HB3	H	2.940	0.03
1640	1	141	ASN	HD21	H	7.640	0.03
1641	1	141	ASN	HD22	H	7.060	0.03
1642	1	141	ASN	C	C	177.100	0.3
1643	1	141	ASN	CA	C	55.900	0.3
1644	1	141	ASN	CB	C	38.100	0.3
1645	1	141	ASN	N	N	115.600	0.3
1646	1	141	ASN	ND2	N	111.400	0.3
1647	1	142	ARG	H	H	8.480	0.03
1648	1	142	ARG	HA	H	4.130	0.03
1649	1	142	ARG	HB2	H	1.300	0.03
1650	1	142	ARG	HB3	H	1.630	0.03
1651	1	142	ARG	HG2	H	1.170	0.03
1652	1	142	ARG	HG3	H	1.430	0.03
1653	1	142	ARG	HD2	H	3.040	0.03
1654	1	142	ARG	HD3	H	3.040	0.03
1655	1	142	ARG	C	C	177.300	0.3
1656	1	142	ARG	CA	C	57.900	0.3
1657	1	142	ARG	CB	C	31.200	0.3
1658	1	142	ARG	CG	C	27.400	0.3
1659	1	142	ARG	CD	C	43.300	0.3
1660	1	142	ARG	N	N	116.700	0.3
1661	1	143	HIS	H	H	8.010	0.03
1662	1	143	HIS	HA	H	4.690	0.03
1663	1	143	HIS	HB2	H	1.800	0.03
1664	1	143	HIS	HB3	H	2.380	0.03
1665	1	143	HIS	HD2	H	6.360	0.03
1666	1	143	HIS	C	C	176.400	0.3
1667	1	143	HIS	CA	C	56.900	0.3
1668	1	143	HIS	CB	C	31.500	0.3
1669	1	143	HIS	CD2	C	122.100	0.3
1670	1	143	HIS	N	N	114.300	0.3
1671	1	144	LEU	H	H	7.260	0.03
1672	1	144	LEU	HA	H	4.380	0.03
1673	1	144	LEU	HB2	H	1.150	0.03
1674	1	144	LEU	HB3	H	1.980	0.03
1675	1	144	LEU	HG	H	1.210	0.03
1676	1	144	LEU	HD11	H	0.160	0.03
1677	1	144	LEU	HD12	H	0.160	0.03
1678	1	144	LEU	HD13	H	0.160	0.03
1679	1	144	LEU	HD21	H	-0.250	0.03
1680	1	144	LEU	HD22	H	-0.250	0.03
1681	1	144	LEU	HD23	H	-0.250	0.03
1682	1	144	LEU	C	C	176.800	0.3
1683	1	144	LEU	CA	C	55.600	0.3
1684	1	144	LEU	CB	C	43.300	0.3
1685	1	144	LEU	CG	C	26.700	0.3
1686	1	144	LEU	CD1	C	24.600	0.3
1687	1	144	LEU	CD2	C	22.200	0.3
1688	1	144	LEU	N	N	116.900	0.3
1689	1	145	HIS	H	H	8.160	0.03
1690	1	145	HIS	HA	H	4.180	0.03
1691	1	145	HIS	HB2	H	3.140	0.03
1692	1	145	HIS	HB3	H	3.370	0.03
1693	1	145	HIS	HD2	H	6.930	0.03
1694	1	145	HIS	HE1	H	7.700	0.03
1695	1	145	HIS	C	C	176.500	0.3
1696	1	145	HIS	CA	C	60.600	0.3
1697	1	145	HIS	CB	C	31.900	0.3
1698	1	145	HIS	CD2	C	118.900	0.3
1699	1	145	HIS	CE1	C	138.200	0.3
1700	1	145	HIS	N	N	120.700	0.3
1701	1	146	THR	H	H	8.090	0.03
1702	1	146	THR	HA	H	3.660	0.03
1703	1	146	THR	HB	H	4.020	0.03
1704	1	146	THR	HG21	H	1.160	0.03
1705	1	146	THR	HG22	H	1.160	0.03
1706	1	146	THR	HG23	H	1.160	0.03
1707	1	146	THR	C	C	175.200	0.3
1708	1	146	THR	CA	C	66.300	0.3
1709	1	146	THR	CB	C	68.200	0.3
1710	1	146	THR	CG2	C	22.000	0.3
1711	1	146	THR	N	N	113.000	0.3
1712	1	147	TRP	H	H	7.480	0.03
1713	1	147	TRP	HA	H	3.800	0.03
1714	1	147	TRP	HB2	H	3.020	0.03
1715	1	147	TRP	HB3	H	3.110	0.03
1716	1	147	TRP	HD1	H	7.010	0.03
1717	1	147	TRP	HE1	H	9.520	0.03
1718	1	147	TRP	HE3	H	7.010	0.03
1719	1	147	TRP	HZ2	H	6.950	0.03
1720	1	147	TRP	HZ3	H	6.350	0.03
1721	1	147	TRP	HH2	H	5.380	0.03
1722	1	147	TRP	C	C	179.400	0.3
1723	1	147	TRP	CA	C	62.800	0.3
1724	1	147	TRP	CB	C	28.400	0.3
1725	1	147	TRP	CD1	C	126.300	0.3
1726	1	147	TRP	CZ2	C	114.000	0.3
1727	1	147	TRP	CZ3	C	119.900	0.3
1728	1	147	TRP	CH2	C	122.400	0.3
1729	1	147	TRP	N	N	122.200	0.3
1730	1	147	TRP	NE1	N	129.600	0.3
1731	1	148	ILE	H	H	8.400	0.03
1732	1	148	ILE	HA	H	2.880	0.03
1733	1	148	ILE	HB	H	1.800	0.03
1734	1	148	ILE	HG21	H	0.390	0.03
1735	1	148	ILE	HG22	H	0.390	0.03
1736	1	148	ILE	HG23	H	0.390	0.03
1737	1	148	ILE	HD11	H	0.560	0.03
1738	1	148	ILE	HD12	H	0.560	0.03
1739	1	148	ILE	HD13	H	0.560	0.03
1740	1	148	ILE	C	C	178.800	0.3
1741	1	148	ILE	CA	C	66.300	0.3
1742	1	148	ILE	CB	C	38.200	0.3
1743	1	148	ILE	CG2	C	16.000	0.3
1744	1	148	ILE	CD1	C	13.800	0.3
1745	1	148	ILE	N	N	120.300	0.3
1746	1	149	GLN	H	H	8.170	0.03
1747	1	149	GLN	HA	H	3.800	0.03
1748	1	149	GLN	HB2	H	1.970	0.03
1749	1	149	GLN	HB3	H	1.970	0.03
1750	1	149	GLN	HG2	H	2.030	0.03
1751	1	149	GLN	HG3	H	2.120	0.03
1752	1	149	GLN	HE21	H	7.230	0.03
1753	1	149	GLN	HE22	H	6.930	0.03
1754	1	149	GLN	C	C	179.000	0.3
1755	1	149	GLN	CA	C	58.400	0.3
1756	1	149	GLN	CB	C	28.700	0.3
1757	1	149	GLN	CG	C	33.800	0.3
1758	1	149	GLN	N	N	117.500	0.3
1759	1	149	GLN	NE2	N	112.200	0.3
1760	1	150	ASP	H	H	8.080	0.03
1761	1	150	ASP	HA	H	4.380	0.03
1762	1	150	ASP	HB2	H	2.360	0.03
1763	1	150	ASP	HB3	H	2.420	0.03
1764	1	150	ASP	C	C	176.800	0.3
1765	1	150	ASP	CA	C	55.900	0.3
1766	1	150	ASP	CB	C	40.400	0.3
1767	1	150	ASP	N	N	119.700	0.3
1768	1	151	ASN	H	H	7.170	0.03
1769	1	151	ASN	HA	H	4.400	0.03
1770	1	151	ASN	HB2	H	0.850	0.03
1771	1	151	ASN	HB3	H	2.000	0.03
1772	1	151	ASN	HD21	H	6.420	0.03
1773	1	151	ASN	HD22	H	6.020	0.03
1774	1	151	ASN	C	C	173.600	0.3
1775	1	151	ASN	CA	C	53.300	0.3
1776	1	151	ASN	CB	C	37.700	0.3
1777	1	151	ASN	N	N	118.100	0.3
1778	1	151	ASN	ND2	N	116.100	0.3
1779	1	152	GLY	H	H	7.390	0.03
1780	1	152	GLY	HA2	H	3.690	0.03
1781	1	152	GLY	HA3	H	4.410	0.03
1782	1	152	GLY	C	C	175.500	0.3
1783	1	152	GLY	CA	C	46.000	0.3
1784	1	152	GLY	N	N	105.100	0.3
1785	1	153	GLY	H	H	8.620	0.03
1786	1	153	GLY	HA2	H	3.670	0.03
1787	1	153	GLY	HA3	H	4.460	0.03
1788	1	153	GLY	C	C	173.300	0.3
1789	1	153	GLY	CA	C	44.600	0.3
1790	1	153	GLY	N	N	108.900	0.3
1791	1	154	TRP	H	H	8.580	0.03
1792	1	154	TRP	HA	H	4.390	0.03
1793	1	154	TRP	HB2	H	2.660	0.03
1794	1	154	TRP	HB3	H	3.110	0.03
1795	1	154	TRP	HD1	H	7.300	0.03
1796	1	154	TRP	HE1	H	10.090	0.03
1797	1	154	TRP	HE3	H	7.160	0.03
1798	1	154	TRP	HZ2	H	7.310	0.03
1799	1	154	TRP	HZ3	H	5.800	0.03
1800	1	154	TRP	HH2	H	6.820	0.03
1801	1	154	TRP	C	C	178.700	0.3
1802	1	154	TRP	CA	C	60.500	0.3
1803	1	154	TRP	CB	C	29.200	0.3
1804	1	154	TRP	CD1	C	126.900	0.3
1805	1	154	TRP	CE3	C	120.600	0.3
1806	1	154	TRP	CZ2	C	113.400	0.3
1807	1	154	TRP	CZ3	C	120.800	0.3
1808	1	154	TRP	CH2	C	123.600	0.3
1809	1	154	TRP	N	N	118.200	0.3
1810	1	154	TRP	NE1	N	127.500	0.3
1811	1	155	ASP	H	H	8.640	0.03
1812	1	155	ASP	HA	H	4.450	0.03
1813	1	155	ASP	HB2	H	2.680	0.03
1814	1	155	ASP	HB3	H	2.770	0.03
1815	1	155	ASP	C	C	178.600	0.3
1816	1	155	ASP	CA	C	57.800	0.3
1817	1	155	ASP	CB	C	40.700	0.3
1818	1	155	ASP	N	N	116.700	0.3
1819	1	156	ALA	H	H	7.450	0.03
1820	1	156	ALA	HA	H	4.240	0.03
1821	1	156	ALA	HB1	H	1.790	0.03
1822	1	156	ALA	HB2	H	1.790	0.03
1823	1	156	ALA	HB3	H	1.790	0.03
1824	1	156	ALA	C	C	179.800	0.3
1825	1	156	ALA	CA	C	54.900	0.3
1826	1	156	ALA	CB	C	18.800	0.3
1827	1	156	ALA	N	N	122.400	0.3
1828	1	157	PHE	H	H	6.640	0.03
1829	1	157	PHE	HA	H	4.420	0.03
1830	1	157	PHE	HB2	H	3.090	0.03
1831	1	157	PHE	HB3	H	3.090	0.03
1832	1	157	PHE	HD1	H	6.690	0.03
1833	1	157	PHE	HD2	H	6.690	0.03
1834	1	157	PHE	HE1	H	6.520	0.03
1835	1	157	PHE	HE2	H	6.520	0.03
1836	1	157	PHE	HZ	H	6.540	0.03
1837	1	157	PHE	C	C	176.300	0.3
1838	1	157	PHE	CA	C	61.200	0.3
1839	1	157	PHE	CB	C	37.300	0.3
1840	1	157	PHE	CD1	C	131.600	0.3
1841	1	157	PHE	CD2	C	131.600	0.3
1842	1	157	PHE	CE1	C	130.200	0.3
1843	1	157	PHE	CE2	C	130.200	0.3
1844	1	157	PHE	CZ	C	128.000	0.3
1845	1	157	PHE	N	N	119.400	0.3
1846	1	158	VAL	H	H	7.860	0.03
1847	1	158	VAL	HA	H	3.250	0.03
1848	1	158	VAL	HB	H	2.230	0.03
1849	1	158	VAL	HG11	H	0.900	0.03
1850	1	158	VAL	HG12	H	0.900	0.03
1851	1	158	VAL	HG13	H	0.900	0.03
1852	1	158	VAL	HG21	H	1.130	0.03
1853	1	158	VAL	HG22	H	1.130	0.03
1854	1	158	VAL	HG23	H	1.130	0.03
1855	1	158	VAL	C	C	178.200	0.3
1856	1	158	VAL	CA	C	66.400	0.3
1857	1	158	VAL	CB	C	31.700	0.3
1858	1	158	VAL	CG1	C	21.600	0.3
1859	1	158	VAL	CG2	C	23.500	0.3
1860	1	158	VAL	N	N	117.500	0.3
1861	1	159	GLU	H	H	7.460	0.03
1862	1	159	GLU	HA	H	3.970	0.03
1863	1	159	GLU	HB2	H	2.080	0.03
1864	1	159	GLU	HB3	H	2.080	0.03
1865	1	159	GLU	HG2	H	2.220	0.03
1866	1	159	GLU	HG3	H	2.360	0.03
1867	1	159	GLU	C	C	178.500	0.3
1868	1	159	GLU	CA	C	58.800	0.3
1869	1	159	GLU	CB	C	29.900	0.3
1870	1	159	GLU	CG	C	36.200	0.3
1871	1	159	GLU	N	N	118.300	0.3
1872	1	160	LEU	H	H	7.700	0.03
1873	1	160	LEU	HA	H	4.060	0.03
1874	1	160	LEU	HB2	H	1.360	0.03
1875	1	160	LEU	HB3	H	1.710	0.03
1876	1	160	LEU	HG	H	1.350	0.03
1877	1	160	LEU	HD11	H	1.030	0.03
1878	1	160	LEU	HD12	H	1.030	0.03
1879	1	160	LEU	HD13	H	1.030	0.03
1880	1	160	LEU	HD21	H	1.010	0.03
1881	1	160	LEU	HD22	H	1.010	0.03
1882	1	160	LEU	HD23	H	1.010	0.03
1883	1	160	LEU	C	C	177.200	0.3
1884	1	160	LEU	CA	C	56.900	0.3
1885	1	160	LEU	CB	C	43.600	0.3
1886	1	160	LEU	CD1	C	25.300	0.3
1887	1	160	LEU	CD2	C	24.000	0.3
1888	1	160	LEU	N	N	118.600	0.3
1889	1	161	TYR	H	H	7.900	0.03
1890	1	161	TYR	HA	H	4.170	0.03
1891	1	161	TYR	HB2	H	2.690	0.03
1892	1	161	TYR	HB3	H	2.690	0.03
1893	1	161	TYR	HD1	H	6.830	0.03
1894	1	161	TYR	HD2	H	6.830	0.03
1895	1	161	TYR	HE1	H	6.770	0.03
1896	1	161	TYR	HE2	H	6.770	0.03
1897	1	161	TYR	C	C	175.600	0.3
1898	1	161	TYR	CA	C	58.500	0.3
1899	1	161	TYR	CB	C	37.500	0.3
1900	1	161	TYR	CD1	C	133.200	0.3
1901	1	161	TYR	CD2	C	133.200	0.3
1902	1	161	TYR	CE1	C	117.600	0.3
1903	1	161	TYR	CE2	C	117.600	0.3
1904	1	161	TYR	N	N	115.200	0.3
1905	1	162	GLY	H	H	7.390	0.03
1906	1	162	GLY	HA2	H	3.970	0.03
1907	1	162	GLY	HA3	H	4.130	0.03
1908	1	162	GLY	CA	C	46.100	0.3
1909	1	162	GLY	N	N	108.600	0.3
1910	1	163	PRO	HA	H	4.340	0.03
1911	1	163	PRO	HB2	H	1.910	0.03
1912	1	163	PRO	HB3	H	2.330	0.03
1913	1	163	PRO	HG2	H	2.000	0.03
1914	1	163	PRO	HG3	H	2.000	0.03
1915	1	163	PRO	HD2	H	3.490	0.03
1916	1	163	PRO	HD3	H	3.640	0.03
1917	1	163	PRO	C	C	177.300	0.3
1918	1	163	PRO	CA	C	64.300	0.3
1919	1	163	PRO	CB	C	32.000	0.3
1920	1	163	PRO	CG	C	27.600	0.3
1921	1	163	PRO	CD	C	50.400	0.3
1922	1	164	SER	H	H	8.350	0.03
1923	1	164	SER	HA	H	4.290	0.03
1924	1	164	SER	HB2	H	3.910	0.03
1925	1	164	SER	HB3	H	3.910	0.03
1926	1	164	SER	C	C	174.500	0.3
1927	1	164	SER	CA	C	59.700	0.3
1928	1	164	SER	CB	C	63.200	0.3
1929	1	164	SER	N	N	113.500	0.3
1930	1	165	MET	H	H	7.790	0.03
1931	1	165	MET	HA	H	4.530	0.03
1932	1	165	MET	HB2	H	1.960	0.03
1933	1	165	MET	HB3	H	1.960	0.03
1934	1	165	MET	HG2	H	2.340	0.03
1935	1	165	MET	HG3	H	2.600	0.03
1936	1	165	MET	HE1	H	2.050	0.03
1937	1	165	MET	HE2	H	2.050	0.03
1938	1	165	MET	HE3	H	2.050	0.03
1939	1	165	MET	C	C	175.500	0.3
1940	1	165	MET	CA	C	50.600	0.3
1941	1	165	MET	CB	C	32.700	0.3
1942	1	165	MET	CG	C	32.000	0.3
1943	1	165	MET	CE	C	17.300	0.3
1944	1	165	MET	N	N	120.400	0.3
1945	1	166	ARG	H	H	8.170	0.03
1946	1	166	ARG	HA	H	4.510	0.03
1947	1	166	ARG	HB2	H	1.960	0.03
1948	1	166	ARG	HB3	H	1.960	0.03
1949	1	166	ARG	CA	C	54.300	0.3
1950	1	166	ARG	CB	C	32.600	0.3
1951	1	166	ARG	N	N	122.300	0.3
1952	1	167	PRO	HA	H	4.280	0.03
1953	1	167	PRO	HB2	H	1.600	0.03
1954	1	167	PRO	HB3	H	2.000	0.03
1955	1	167	PRO	HG2	H	1.530	0.03
1956	1	167	PRO	HG3	H	1.600	0.03
1957	1	167	PRO	HD2	H	3.160	0.03
1958	1	167	PRO	HD3	H	3.430	0.03
1959	1	167	PRO	C	C	176.500	0.3
1960	1	167	PRO	CA	C	63.000	0.3
1961	1	167	PRO	CB	C	32.100	0.3
1962	1	167	PRO	CG	C	27.300	0.3
1963	1	167	PRO	CD	C	50.500	0.3
1964	1	168	LEU	H	H	8.210	0.03
1965	1	168	LEU	HA	H	4.400	0.03
1966	1	168	LEU	HB2	H	1.570	0.03
1967	1	168	LEU	HB3	H	1.600	0.03
1968	1	168	LEU	HD11	H	0.960	0.03
1969	1	168	LEU	HD12	H	0.960	0.03
1970	1	168	LEU	HD13	H	0.960	0.03
1971	1	168	LEU	HD21	H	0.920	0.03
1972	1	168	LEU	HD22	H	0.920	0.03
1973	1	168	LEU	HD23	H	0.920	0.03
1974	1	168	LEU	C	C	176.900	0.3
1975	1	168	LEU	CA	C	54.500	0.3
1976	1	168	LEU	CB	C	42.500	0.3
1977	1	168	LEU	CD1	C	25.100	0.3
1978	1	168	LEU	CD2	C	24.000	0.3
1979	1	168	LEU	N	N	122.500	0.3
1980	1	169	PHE	H	H	8.390	0.03
1981	1	169	PHE	HA	H	4.850	0.03
1982	1	169	PHE	HB2	H	3.170	0.03
1983	1	169	PHE	HB3	H	3.390	0.03
1984	1	169	PHE	HD1	H	7.550	0.03
1985	1	169	PHE	HD2	H	7.550	0.03
1986	1	169	PHE	HE1	H	7.530	0.03
1987	1	169	PHE	HE2	H	7.530	0.03
1988	1	169	PHE	HZ	H	7.450	0.03
1989	1	169	PHE	C	C	175.400	0.3
1990	1	169	PHE	CA	C	57.500	0.3
1991	1	169	PHE	CB	C	40.400	0.3
1992	1	169	PHE	CD1	C	132.300	0.3
1993	1	169	PHE	CD2	C	132.300	0.3
1994	1	169	PHE	CE1	C	131.700	0.3
1995	1	169	PHE	CE2	C	131.700	0.3
1996	1	169	PHE	CZ	C	130.000	0.3
1997	1	169	PHE	N	N	121.700	0.3
1998	1	170	ASP	H	H	8.770	0.03
1999	1	170	ASP	HA	H	4.750	0.03
2000	1	170	ASP	HB2	H	2.710	0.03
2001	1	170	ASP	HB3	H	2.710	0.03
2002	1	170	ASP	C	C	174.900	0.3
2003	1	170	ASP	CA	C	54.200	0.3
2004	1	170	ASP	CB	C	40.600	0.3
2005	1	170	ASP	N	N	123.600	0.3
2006	1	171	PHE	H	H	7.950	0.03
2007	1	171	PHE	HA	H	4.500	0.03
2008	1	171	PHE	HB2	H	2.960	0.03
2009	1	171	PHE	HB3	H	3.170	0.03
2010	1	171	PHE	HD1	H	7.010	0.03
2011	1	171	PHE	HD2	H	7.010	0.03
2012	1	171	PHE	HE1	H	6.860	0.03
2013	1	171	PHE	HE2	H	6.860	0.03
2014	1	171	PHE	HZ	H	7.020	0.03
2015	1	171	PHE	C	C	173.600	0.3
2016	1	171	PHE	CA	C	58.700	0.3
2017	1	171	PHE	CB	C	41.400	0.3
2018	1	171	PHE	CD1	C	131.400	0.3
2019	1	171	PHE	CD2	C	131.400	0.3
2020	1	171	PHE	CE1	C	131.400	0.3
2021	1	171	PHE	CE2	C	131.400	0.3
2022	1	171	PHE	CZ	C	129.500	0.3
2023	1	171	PHE	N	N	123.200	0.3
2024	1	172	SER	H	H	6.850	0.03
2025	1	172	SER	HA	H	4.420	0.03
2026	1	172	SER	HB2	H	3.430	0.03
2027	1	172	SER	HB3	H	3.590	0.03
2028	1	172	SER	C	C	171.100	0.3
2029	1	172	SER	CA	C	56.700	0.3
2030	1	172	SER	CB	C	64.100	0.3
2031	1	172	SER	N	N	122.900	0.3
2032	1	173	TRP	H	H	8.470	0.03
2033	1	173	TRP	HA	H	3.760	0.03
2034	1	173	TRP	HB2	H	2.880	0.03
2035	1	173	TRP	HB3	H	3.020	0.03
2036	1	173	TRP	HD1	H	6.900	0.03
2037	1	173	TRP	HE1	H	9.760	0.03
2038	1	173	TRP	HE3	H	6.940	0.03
2039	1	173	TRP	HZ2	H	6.490	0.03
2040	1	173	TRP	HZ3	H	6.120	0.03
2041	1	173	TRP	HH2	H	5.060	0.03
2042	1	173	TRP	C	C	176.800	0.3
2043	1	173	TRP	CA	C	58.700	0.3
2044	1	173	TRP	CB	C	30.400	0.3
2045	1	173	TRP	CD1	C	127.500	0.3
2046	1	173	TRP	CE3	C	119.600	0.3
2047	1	173	TRP	CZ2	C	112.700	0.3
2048	1	173	TRP	CZ3	C	122.000	0.3
2049	1	173	TRP	N	N	124.800	0.3
2050	1	173	TRP	NE1	N	127.100	0.3
2051	1	174	LEU	H	H	8.030	0.03
2052	1	174	LEU	HA	H	4.010	0.03
2053	1	174	LEU	HB2	H	0.830	0.03
2054	1	174	LEU	HB3	H	1.010	0.03
2055	1	174	LEU	HG	H	1.360	0.03
2056	1	174	LEU	HD11	H	0.350	0.03
2057	1	174	LEU	HD12	H	0.350	0.03
2058	1	174	LEU	HD13	H	0.350	0.03
2059	1	174	LEU	HD21	H	0.556	0.03
2060	1	174	LEU	HD22	H	0.556	0.03
2061	1	174	LEU	HD23	H	0.556	0.03
2062	1	174	LEU	C	C	176.300	0.3
2063	1	174	LEU	CA	C	54.300	0.3
2064	1	174	LEU	CB	C	42.200	0.3
2065	1	174	LEU	CG	C	26.100	0.3
2066	1	174	LEU	CD1	C	25.700	0.3
2067	1	174	LEU	CD2	C	23.100	0.3
2068	1	174	LEU	N	N	128.900	0.3
2069	1	175	SER	H	H	8.410	0.03
2070	1	175	SER	HA	H	4.670	0.03
2071	1	175	SER	HB2	H	3.740	0.03
2072	1	175	SER	HB3	H	3.790	0.03
2073	1	175	SER	C	C	173.700	0.3
2074	1	175	SER	CA	C	56.700	0.3
2075	1	175	SER	CB	C	62.900	0.3
2076	1	175	SER	N	N	117.500	0.3
2077	1	176	LEU	H	H	7.490	0.03
2078	1	176	LEU	HA	H	4.130	0.03
2079	1	176	LEU	HB2	H	0.340	0.03
2080	1	176	LEU	HB3	H	0.620	0.03
2081	1	176	LEU	HG	H	0.750	0.03
2082	1	176	LEU	HD11	H	-0.090	0.03
2083	1	176	LEU	HD12	H	-0.090	0.03
2084	1	176	LEU	HD13	H	-0.090	0.03
2085	1	176	LEU	HD21	H	0.210	0.03
2086	1	176	LEU	HD22	H	0.210	0.03
2087	1	176	LEU	HD23	H	0.210	0.03
2088	1	176	LEU	C	C	174.500	0.3
2089	1	176	LEU	CA	C	53.800	0.3
2090	1	176	LEU	CB	C	42.700	0.3
2091	1	176	LEU	CG	C	26.700	0.3
2092	1	176	LEU	CD1	C	25.700	0.3
2093	1	176	LEU	CD2	C	23.500	0.3
2094	1	176	LEU	N	N	126.200	0.3
2095	1	177	LYS	H	H	7.550	0.03
2096	1	177	LYS	HA	H	3.970	0.03
2097	1	177	LYS	HB2	H	1.680	0.03
2098	1	177	LYS	HB3	H	1.780	0.03
2099	1	177	LYS	HG2	H	1.250	0.03
2100	1	177	LYS	HG3	H	1.290	0.03
2101	1	177	LYS	HD2	H	1.610	0.03
2102	1	177	LYS	HD3	H	1.610	0.03
2103	1	177	LYS	HE2	H	2.940	0.03
2104	1	177	LYS	HE3	H	2.940	0.03
2105	1	177	LYS	CA	C	57.600	0.3
2106	1	177	LYS	CB	C	34.200	0.3
2107	1	177	LYS	CG	C	24.100	0.3
2108	1	177	LYS	CD	C	29.300	0.3
2109	1	177	LYS	N	N	125.000	0.3
2110	2	1	LQR	H4	H	6.06	0.03
2111	2	1	LQR	H9	H	7.28	0.03
2112	2	1	LQR	H23	H	4.55	0.03
2113	2	1	LQR	HG1	H	8.57	0.03
2114	2	1	LQR	HG2	H	8.57	0.03
2115	2	1	LQR	HH1	H	3.11	0.03
2116	2	1	LQR	HH2	H	3.96	0.03
2117	2	1	LQR	HF1	H	7.85	0.03
2118	2	1	LQR	HF2	H	7.85	0.03
2119	2	1	LQR	HI1	H	7.11	0.03
2120	2	1	LQR	HI2	H	7.11	0.03
2121	2	1	LQR	HJ1	H	7.21	0.03
2122	2	1	LQR	HJ2	H	7.21	0.03
2123	2	1	LQR	HK1	H	7.90	0.03
2124	2	1	LQR	HK2	H	7.90	0.03
2125	2	1	LQR	HL1	H	7.14	0.03
2126	2	1	LQR	HL2	H	7.14	0.03
2127	2	1	LQR	HM1	H	1.06	0.03
2128	2	1	LQR	HM2	H	1.06	0.03
2129	2	1	LQR	HM3	H	1.06	0.03
2130	2	1	LQR	HN1	H	0.58	0.03
2131	2	1	LQR	HN2	H	0.58	0.03
2132	2	1	LQR	HN3	H	0.58	0.03

Release date

2023-08-23

Citation

Structural insights for selective disruption of Beclin 1 binding to Bcl-2
Pan, Y., Liang, Q., Tomchick, D.R., de Brabander, J.K., Rizo, J.
Commun. Biol. (2023), 6, 1080-1080, PubMed 37875561 , DOI 10.1038/s42003-023-05467-w , Abstract

Related entities 1. Bcl-2-xL/35 complex, entity 1, : 1 : 29 : 120 entities Detail

Interaction partners 1. Bcl-2-xL/35 complex, entity 1, : 58 interactors Detail

More details for 58 interactors identified by 35 citations

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC

Instrument

Agilent DDX - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7.3

#	Name	Isotope labeling	Type	Concentration
1	Bcl-2-xL	[U-99% 13C; U-99% 15N]		300 (±30.0) uM
2	Compound 35	natural abundance		300 (±30.0) uM

2 3D HNCO

Instrument

Agilent DDX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7.3

#	Name	Isotope labeling	Type	Concentration
1	Bcl-2-xL	[U-99% 13C; U-99% 15N]		300 (±30.0) uM
2	Compound 35	natural abundance		300 (±30.0) uM

3 3D HNCACB

Instrument

Agilent DDX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7.3

#	Name	Isotope labeling	Type	Concentration
1	Bcl-2-xL	[U-99% 13C; U-99% 15N]		300 (±30.0) uM
2	Compound 35	natural abundance		300 (±30.0) uM

4 3D CBCA(CO)NH

Instrument

Agilent DDX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7.3

#	Name	Isotope labeling	Type	Concentration
1	Bcl-2-xL	[U-99% 13C; U-99% 15N]		300 (±30.0) uM
2	Compound 35	natural abundance		300 (±30.0) uM

5 3D HCCH-TOCSY

Instrument

Agilent DDX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7.3

#	Name	Isotope labeling	Type	Concentration
1	Bcl-2-xL	[U-99% 13C; U-99% 15N]		300 (±30.0) uM
2	Compound 35	natural abundance		300 (±30.0) uM

6 3D C(CO)NH

Instrument

Agilent DDX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7.3

#	Name	Isotope labeling	Type	Concentration
1	Bcl-2-xL	[U-99% 13C; U-99% 15N]		300 (±30.0) uM
2	Compound 35	natural abundance		300 (±30.0) uM

7 3D H(CCO)NH

Instrument

Agilent DDX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7.3

#	Name	Isotope labeling	Type	Concentration
1	Bcl-2-xL	[U-99% 13C; U-99% 15N]		300 (±30.0) uM
2	Compound 35	natural abundance		300 (±30.0) uM

8 2D 1H-1H NOESY

Instrument

Agilent DDX - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 7.3

#	Name	Isotope labeling	Type	Concentration
3	Bcl-2-xL	[U-99% 15N]		300 (±30.0) uM
4	Compound 35	natural abundance		300 (±30.0) uM

9 2D 1H-1H TOCSY

Instrument

Agilent DDX - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 7.3

#	Name	Isotope labeling	Type	Concentration
3	Bcl-2-xL	[U-99% 15N]		300 (±30.0) uM
4	Compound 35	natural abundance		300 (±30.0) uM

10 2D HBCBCGCDHD

Instrument

Agilent DDX - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7.3

#	Name	Isotope labeling	Type	Concentration
1	Bcl-2-xL	[U-99% 13C; U-99% 15N]		300 (±30.0) uM
2	Compound 35	natural abundance		300 (±30.0) uM

11 2D HBCBCGCDCEHE

Instrument

Agilent DDX - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7.3

#	Name	Isotope labeling	Type	Concentration
1	Bcl-2-xL	[U-99% 13C; U-99% 15N]		300 (±30.0) uM
2	Compound 35	natural abundance		300 (±30.0) uM

12 15N,13C-15N,13C-filtered homonuclear 2D TOCSY

Instrument

Agilent DDX - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7.3

#	Name	Isotope labeling	Type	Concentration
1	Bcl-2-xL	[U-99% 13C; U-99% 15N]		300 (±30.0) uM
2	Compound 35	natural abundance		300 (±30.0) uM

13 15N,13C-15N,13C-filtered homonuclear 2D NOESY

Instrument

Agilent DDX - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7.3

#	Name	Isotope labeling	Type	Concentration
1	Bcl-2-xL	[U-99% 13C; U-99% 15N]		300 (±30.0) uM
2	Compound 35	natural abundance		300 (±30.0) uM

14 simultaneous 3D 1H-15N, 1H-13C NOESY-HSQC

Instrument

Agilent DDX - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7.3

#	Name	Isotope labeling	Type	Concentration
1	Bcl-2-xL	[U-99% 13C; U-99% 15N]		300 (±30.0) uM
2	Compound 35	natural abundance		300 (±30.0) uM

15 constant-time 1H-13C HSQC

Instrument

Agilent DDX - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7.3

#	Name	Isotope labeling	Type	Concentration
1	Bcl-2-xL	[U-99% 13C; U-99% 15N]		300 (±30.0) uM
2	Compound 35	natural abundance		300 (±30.0) uM

16 constant-time 1H-13C HSQC

Instrument

Agilent DDX - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7.3

#	Name	Isotope labeling	Type	Concentration
5	Bcl-2-xL	[U-10% 13C]		100 (±10.0) uM
6	Compound 35	natural abundance		100 (±10.0) uM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr52100_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

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
2	1	LQR	Not matched with CCD	Assigned chemical shifts

Content subtype: bmr52100_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	2132		100.0 (chain: 1, length: 177), 100.0 (chain: 2, length: 1)
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: 177, Sequence coverage: 100.0%
  - Entity_assembly_ID: 2, Chain length: 1, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 1194
  - ¹³C chemical shifts: 753
  - ¹⁵N chemical shifts: 185
- Completeness of assignments
  - Entity_assemble_ID: 1
  - Entity_assemble_ID: 2
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
55	THR	HG1	5.37
117	CYS	HG	3.08
137	THR	HG1	4.72

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1080	986	91.3
¹³C chemical shifts	819	753	91.9
¹⁵N chemical shifts	205	185	90.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	363	356	98.1
¹³C chemical shifts	354	342	96.6
¹⁵N chemical shifts	172	169	98.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	717	630	87.9
¹³C chemical shifts	465	411	88.4
¹⁵N chemical shifts	33	16	48.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	91	91	100.0
¹³C chemical shifts	91	90	98.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	131	122	93.1
¹³C chemical shifts	125	108	86.4
¹⁵N chemical shifts	6	6	100.0

Comp_index_ID	Comp_ID
1	LQR

Keywords Bcl-2, Bcl-2 inhibitor, NMR structure, autophagy activation, selective inhibition

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Found 1 Document (0.931 seconds)

BMRB: 52100

Related entities 1. Bcl-2-xL/35 complex, entity 1, : 1 : 29 : 120 entities Detail

Interaction partners 1. Bcl-2-xL/35 complex, entity 1, : 58 interactors Detail

Experiments performed 16 experiments Detail

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Chemical shift validation 3 contents Detail