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BMRB: 31058

8F4V

Alpha7 nicotinic acetylcholine receptor intracellular and transmembrane domains bound to ivermectin in a desensitized state

Authors

Bondarenko, V., Chen, Q., Tang, P.

Assembly

Neuronal acetylcholine receptor subunit alpha-7

Entity

1. Neuronal acetylcholine receptor subunit alpha-7, entity 1 (polymer), 272 monomers, 29803.50 × 5 Da Detail

SNAEEELYYG LNLLIPCVLI SALALLVFLL PADSGEKISL GITVLLSLTV FMLLVAEIMP STSDSSPSIA QYFASTMIIV GLSVVVTVIV LQYHHHDPDG GKMPKWTRVI LLNWCAWFLR MKRPGEDKVR PACQHKQRRC SLASVEMSAV APPPASNGNL LYIGFRGLDG VHCVPTPDSG VVCGRMACSP THDEHLLHGG QPPEGDPDLA KILEEVRYIA NRFRCQDESE AVCSEWKFAA CVVDRLCLMA FSVFTIICTI GILMSAPNFV EE

2. Neuronal acetylcholine receptor subunit alpha-7, entity IVM (non-polymer), 875.093 × 5 Da

Total weight

153392.97 Da

Max. entity weight

29803.5 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 1104, ¹³C: 764, ¹⁵N: 239 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err
1	1	7	LEU	HA	H	4.019	0.012
2	1	7	LEU	HB2	H	1.654	0.015
3	1	7	LEU	HD11	H	0.89	0.019
4	1	7	LEU	HD12	H	0.89	0.019
5	1	7	LEU	HD13	H	0.89	0.019
6	1	7	LEU	C	C	178.172	0.01
7	1	7	LEU	CA	C	58.024	0.018
8	1	7	LEU	CB	C	41.907	0.01
9	1	7	LEU	CD1	C	25.104	0.049
10	1	7	LEU	N	N	118.867	0.037
11	1	8	TYR	H	H	8.039	0.014
12	1	8	TYR	HA	H	4.097	0.01
13	1	8	TYR	HB2	H	3.035	0.01
14	1	8	TYR	HD1	H	6.88	0.014
15	1	8	TYR	HE1	H	6.667	0.015
16	1	8	TYR	C	C	177.996	0.01
17	1	8	TYR	CA	C	60.965	0.031
18	1	8	TYR	CB	C	38.223	0.01
19	1	8	TYR	CD1	C	132.814	0.087
20	1	8	TYR	CE1	C	118.107	0.042
21	1	8	TYR	N	N	117.972	0.228
22	1	9	TYR	H	H	8.295	0.017
23	1	9	TYR	HA	H	4.131	0.018
24	1	9	TYR	HB2	H	3.079	0.017
25	1	9	TYR	HD1	H	7.108	0.026
26	1	9	TYR	HE1	H	6.675	0.016
27	1	9	TYR	C	C	178.111	0.01
28	1	9	TYR	CA	C	61.429	0.041
29	1	9	TYR	CB	C	38.322	0.01
30	1	9	TYR	CD1	C	133.228	0.247
31	1	9	TYR	CE1	C	117.92	0.251
32	1	9	TYR	N	N	118.831	0.116
33	1	10	GLY	H	H	8.484	0.01
34	1	10	GLY	HA2	H	3.735	0.016
35	1	10	GLY	C	C	175.281	0.01
36	1	10	GLY	CA	C	47.308	0.16
37	1	10	GLY	N	N	105.982	0.125
38	1	11	LEU	H	H	8.474	0.013
39	1	11	LEU	HA	H	4.029	0.01
40	1	11	LEU	HB2	H	1.909	0.011
41	1	11	LEU	HD11	H	0.844	0.019
42	1	11	LEU	HD12	H	0.844	0.019
43	1	11	LEU	HD13	H	0.844	0.019
44	1	11	LEU	C	C	177.943	0.01
45	1	11	LEU	CA	C	58.259	0.043
46	1	11	LEU	CB	C	41.896	0.01
47	1	11	LEU	CD1	C	24.989	0.03
48	1	11	LEU	N	N	121.132	0.083
49	1	12	ASN	H	H	7.774	0.007
50	1	12	ASN	HA	H	4.351	0.016
51	1	12	ASN	HB2	H	2.675	0.018
52	1	12	ASN	HB3	H	2.739	0.01
53	1	12	ASN	HD21	H	7.503	0.022
54	1	12	ASN	HD22	H	6.787	0.017
55	1	12	ASN	C	C	175.617	0.01
56	1	12	ASN	CA	C	56.044	0.022
57	1	12	ASN	CB	C	39.643	0.01
58	1	12	ASN	N	N	114.679	0.002
59	1	12	ASN	ND2	N	112.194	0.014
60	1	13	LEU	H	H	7.316	0.018
61	1	13	LEU	HA	H	4.381	0.016
62	1	13	LEU	HB2	H	1.646	0.017
63	1	13	LEU	HD11	H	0.766	0.018
64	1	13	LEU	HD12	H	0.766	0.018
65	1	13	LEU	HD13	H	0.766	0.018
66	1	13	LEU	HD21	H	0.849	0.012
67	1	13	LEU	HD22	H	0.849	0.012
68	1	13	LEU	HD23	H	0.849	0.012
69	1	13	LEU	C	C	177.603	0.01
70	1	13	LEU	CA	C	56.297	0.106
71	1	13	LEU	CB	C	42.221	0.01
72	1	13	LEU	CD1	C	24.021	0.147
73	1	13	LEU	CD2	C	25.149	0.111
74	1	13	LEU	N	N	114.997	0.062
75	1	14	LEU	H	H	8.168	0.011
76	1	14	LEU	HA	H	4.229	0.012
77	1	14	LEU	HB2	H	1.554	0.017
78	1	14	LEU	HD11	H	0.781	0.017
79	1	14	LEU	HD12	H	0.781	0.017
80	1	14	LEU	HD13	H	0.781	0.017
81	1	14	LEU	CA	C	56.314	0.091
82	1	14	LEU	CB	C	42.156	0.01
83	1	14	LEU	CD1	C	25.101	0.063
84	1	14	LEU	N	N	121.683	0.063
85	1	15	ILE	H	H	8.369	0.011
86	1	15	ILE	HA	H	3.505	0.013
87	1	15	ILE	HB	H	1.813	0.011
88	1	15	ILE	HG13	H	1.21	0.012
89	1	15	ILE	HG21	H	0.86	0.019
90	1	15	ILE	HG22	H	0.86	0.019
91	1	15	ILE	HG23	H	0.86	0.019
92	1	15	ILE	HD11	H	0.804	0.013
93	1	15	ILE	HD12	H	0.804	0.013
94	1	15	ILE	HD13	H	0.804	0.013
95	1	15	ILE	CA	C	65.938	0.023
96	1	15	ILE	CB	C	37.441	0.01
97	1	15	ILE	CG1	C	28.214	0.01
98	1	15	ILE	CG2	C	17.734	0.015
99	1	15	ILE	CD1	C	13.263	0.144
100	1	15	ILE	N	N	117.362	0.128
101	1	16	PRO	HA	H	4.11	0.01
102	1	16	PRO	HB2	H	1.817	0.018
103	1	16	PRO	HD2	H	3.496	0.012
104	1	16	PRO	C	C	177.481	0.01
105	1	16	PRO	CA	C	66.636	0.038
106	1	16	PRO	CB	C	31.007	0.01
107	1	16	PRO	CD	C	50.352	0.01
108	1	17	CYS	H	H	7.212	0.01
109	1	17	CYS	HA	H	3.931	0.013
110	1	17	CYS	HB2	H	3.165	0.018
111	1	17	CYS	HB3	H	2.663	0.016
112	1	17	CYS	C	C	177.471	0.01
113	1	17	CYS	CA	C	64.467	0.092
114	1	17	CYS	CB	C	26.898	0.053
115	1	17	CYS	N	N	113.246	0.115
116	1	18	VAL	H	H	8.43	0.012
117	1	18	VAL	HA	H	3.549	0.013
118	1	18	VAL	HB	H	2.224	0.015
119	1	18	VAL	HG11	H	1.047	0.019
120	1	18	VAL	HG12	H	1.047	0.019
121	1	18	VAL	HG13	H	1.047	0.019
122	1	18	VAL	HG21	H	0.923	0.024
123	1	18	VAL	HG22	H	0.923	0.024
124	1	18	VAL	HG23	H	0.923	0.024
125	1	18	VAL	CA	C	66.975	0.018
126	1	18	VAL	CB	C	31.769	0.01
127	1	18	VAL	CG1	C	23.516	0.049
128	1	18	VAL	CG2	C	21.639	0.013
129	1	18	VAL	N	N	121.584	0.17
130	1	19	LEU	H	H	8.168	0.009
131	1	19	LEU	HA	H	3.958	0.019
132	1	19	LEU	HB2	H	1.679	0.017
133	1	19	LEU	HD11	H	0.835	0.01
134	1	19	LEU	HD12	H	0.835	0.01
135	1	19	LEU	HD13	H	0.835	0.01
136	1	19	LEU	C	C	178.109	0.01
137	1	19	LEU	CA	C	58.271	0.035
138	1	19	LEU	CB	C	41.971	0.01
139	1	19	LEU	CD1	C	25.123	0.084
140	1	19	LEU	N	N	121.683	0.068
141	1	20	ILE	H	H	8.401	0.017
142	1	20	ILE	HA	H	3.617	0.018
143	1	20	ILE	HB	H	1.795	0.019
144	1	20	ILE	HG21	H	0.796	0.018
145	1	20	ILE	HG22	H	0.796	0.018
146	1	20	ILE	HG23	H	0.796	0.018
147	1	20	ILE	HD11	H	0.761	0.014
148	1	20	ILE	HD12	H	0.761	0.014
149	1	20	ILE	HD13	H	0.761	0.014
150	1	20	ILE	C	C	176.99	0.01
151	1	20	ILE	CA	C	65.162	0.043
152	1	20	ILE	CB	C	37.441	0.01
153	1	20	ILE	CG2	C	17.544	0.145
154	1	20	ILE	CD1	C	13.476	0.132
155	1	20	ILE	N	N	116.899	0.064
156	1	21	SER	H	H	7.781	0.017
157	1	21	SER	HA	H	4.054	0.01
158	1	21	SER	C	C	176.114	0.01
159	1	21	SER	CA	C	63.6	0.035
160	1	21	SER	N	N	115.514	0.066
161	1	22	ALA	H	H	8.314	0.013
162	1	22	ALA	HA	H	3.957	0.017
163	1	22	ALA	HB1	H	1.417	0.016
164	1	22	ALA	HB2	H	1.417	0.016
165	1	22	ALA	HB3	H	1.417	0.016
166	1	22	ALA	CA	C	56.071	0.065
167	1	22	ALA	CB	C	18.245	0.084
168	1	22	ALA	N	N	122.756	0.058
169	1	23	LEU	HA	H	3.934	0.016
170	1	23	LEU	CA	C	58.245	0.024
171	1	24	ALA	H	H	8.306	0.018
172	1	24	ALA	HA	H	3.945	0.022
173	1	24	ALA	HB1	H	1.451	0.011
174	1	24	ALA	HB2	H	1.451	0.011
175	1	24	ALA	HB3	H	1.451	0.011
176	1	24	ALA	C	C	178.759	0.01
177	1	24	ALA	CA	C	55.452	0.078
178	1	24	ALA	CB	C	18.309	0.133
179	1	24	ALA	N	N	119.455	0.109
180	1	25	LEU	H	H	7.916	0.01
181	1	25	LEU	HA	H	3.955	0.012
182	1	25	LEU	HB2	H	1.777	0.013
183	1	25	LEU	HD11	H	0.823	0.017
184	1	25	LEU	HD12	H	0.823	0.017
185	1	25	LEU	HD13	H	0.823	0.017
186	1	25	LEU	C	C	178.37	0.01
187	1	25	LEU	CA	C	58.173	0.059
188	1	25	LEU	CB	C	41.952	0.01
189	1	25	LEU	CD1	C	25.299	0.265
190	1	25	LEU	N	N	116.346	0.102
191	1	26	LEU	H	H	8.096	0.015
192	1	26	LEU	HA	H	4.048	0.011
193	1	26	LEU	HB2	H	1.853	0.014
194	1	26	LEU	HD11	H	0.876	0.017
195	1	26	LEU	HD12	H	0.876	0.017
196	1	26	LEU	HD13	H	0.876	0.017
197	1	26	LEU	C	C	178.264	0.01
198	1	26	LEU	CA	C	58.232	0.02
199	1	26	LEU	CB	C	42.116	0.01
200	1	26	LEU	CD1	C	25.021	0.012
201	1	26	LEU	N	N	112.846	0.116
202	1	27	VAL	H	H	7.880	0.011
203	1	27	VAL	HA	H	3.56	0.013
204	1	27	VAL	HB	H	2.184	0.014
205	1	27	VAL	HG11	H	0.893	0.025
206	1	27	VAL	HG12	H	0.893	0.025
207	1	27	VAL	HG13	H	0.893	0.025
208	1	27	VAL	HG21	H	0.669	0.018
209	1	27	VAL	HG22	H	0.669	0.018
210	1	27	VAL	HG23	H	0.669	0.018
211	1	27	VAL	CA	C	66.18	0.11
212	1	27	VAL	CB	C	31.662	0.01
213	1	27	VAL	CG1	C	22.029	0.094
214	1	27	VAL	CG2	C	21.85	0.15
215	1	27	VAL	N	N	114.771	0.148
216	1	28	PHE	H	H	7.956	0.018
217	1	28	PHE	HA	H	4.268	0.021
218	1	28	PHE	HB2	H	3.13	0.015
219	1	28	PHE	HD1	H	7.351	0.011
220	1	28	PHE	HE1	H	7.156	0.01
221	1	28	PHE	C	C	176.498	0.01
222	1	28	PHE	CA	C	60.731	0.056
223	1	28	PHE	CB	C	38.365	0.01
224	1	28	PHE	CD1	C	130.536	0.135
225	1	28	PHE	N	N	115.568	0.136
226	1	29	LEU	H	H	7.918	0.012
227	1	29	LEU	HA	H	4.335	0.022
228	1	29	LEU	HB2	H	1.909	0.017
229	1	29	LEU	HB3	H	1.479	0.017
230	1	29	LEU	HD11	H	0.636	0.018
231	1	29	LEU	HD12	H	0.636	0.018
232	1	29	LEU	HD13	H	0.636	0.018
233	1	29	LEU	HD21	H	0.856	0.015
234	1	29	LEU	HD22	H	0.856	0.015
235	1	29	LEU	HD23	H	0.856	0.015
236	1	29	LEU	C	C	176.971	0.01
237	1	29	LEU	CA	C	55.598	0.086
238	1	29	LEU	CB	C	41.956	0.017
239	1	29	LEU	CD1	C	23.191	0.148
240	1	29	LEU	CD2	C	24.913	0.106
241	1	29	LEU	N	N	116.924	0.267
242	1	30	LEU	H	H	7.498	0.01
243	1	30	LEU	HA	H	4.419	0.01
244	1	30	LEU	HB2	H	1.962	0.022
245	1	30	LEU	HD11	H	0.843	0.016
246	1	30	LEU	HD12	H	0.843	0.016
247	1	30	LEU	HD13	H	0.843	0.016
248	1	30	LEU	CA	C	54.251	0.01
249	1	30	LEU	CB	C	41.985	0.01
250	1	30	LEU	CD1	C	24.31	0.162
251	1	30	LEU	N	N	120.058	0.092
252	1	31	PRO	HA	H	4.483	0.018
253	1	31	PRO	HB2	H	1.993	0.015
254	1	31	PRO	HD3	H	3.543	0.011
255	1	31	PRO	C	C	176.353	0.01
256	1	31	PRO	CA	C	63.133	0.047
257	1	31	PRO	CB	C	31.189	0.01
258	1	31	PRO	CD	C	50.397	0.01
259	1	32	ALA	H	H	8.208	0.019
260	1	32	ALA	HA	H	4.242	0.021
261	1	32	ALA	HB1	H	1.35	0.017
262	1	32	ALA	HB2	H	1.35	0.017
263	1	32	ALA	HB3	H	1.35	0.017
264	1	32	ALA	C	C	177.196	0.01
265	1	32	ALA	CA	C	52.857	0.049
266	1	32	ALA	CB	C	19.335	0.122
267	1	32	ALA	N	N	123.401	0.106
268	1	33	ASP	H	H	8.213	0.015
269	1	33	ASP	HA	H	4.553	0.016
270	1	33	ASP	HB2	H	2.793	0.015
271	1	33	ASP	C	C	176.625	0.01
272	1	33	ASP	CA	C	54.352	0.176
273	1	33	ASP	CB	C	41.214	0.01
274	1	33	ASP	N	N	118.039	0.09
275	1	34	SER	H	H	8.161	0.01
276	1	34	SER	HA	H	4.293	0.013
277	1	34	SER	HB2	H	3.881	0.013
278	1	34	SER	C	C	175.478	0.01
279	1	34	SER	CA	C	60.288	0.065
280	1	34	SER	CB	C	63.5	0.01
281	1	34	SER	N	N	115.507	0.081
282	1	35	GLY	H	H	8.479	0.018
283	1	35	GLY	HA2	H	3.822	0.01
284	1	35	GLY	C	C	175.245	0.01
285	1	35	GLY	CA	C	46.463	0.209
286	1	35	GLY	N	N	110.004	0.04
287	1	36	GLU	H	H	8.168	0.016
288	1	36	GLU	HA	H	4.185	0.018
289	1	36	GLU	HB2	H	2.03	0.019
290	1	36	GLU	CA	C	58.361	0.153
291	1	36	GLU	CB	C	29.664	0.01
292	1	36	GLU	N	N	121.683	0.054
293	1	37	LYS	H	H	8.438	0.015
294	1	37	LYS	HA	H	3.934	0.012
295	1	37	LYS	HB2	H	1.774	0.01
296	1	37	LYS	HG2	H	1.428	0.01
297	1	37	LYS	HD2	H	1.663	0.016
298	1	37	LYS	HE2	H	2.973	0.012
299	1	37	LYS	CA	C	58.205	0.01
300	1	37	LYS	CB	C	31.843	0.01
301	1	37	LYS	CG	C	24.809	0.01
302	1	37	LYS	CD	C	29.208	0.01
303	1	37	LYS	CE	C	42.278	0.011
304	1	37	LYS	N	N	124.218	0.098
305	1	38	ILE	H	H	8.249	0.01
306	1	38	ILE	HA	H	3.696	0.01
307	1	38	ILE	HB	H	1.96	0.012
308	1	38	ILE	HG21	H	0.894	0.013
309	1	38	ILE	HG22	H	0.894	0.013
310	1	38	ILE	HG23	H	0.894	0.013
311	1	38	ILE	HD11	H	0.745	0.01
312	1	38	ILE	HD12	H	0.745	0.01
313	1	38	ILE	HD13	H	0.745	0.01
314	1	38	ILE	CA	C	64.8	0.161
315	1	38	ILE	CB	C	37.774	0.01
316	1	38	ILE	CG2	C	18.02	0.01
317	1	38	ILE	CD1	C	13.235	0.01
318	1	38	ILE	N	N	116.747	0.01
319	1	39	SER	H	H	8.133	0.01
320	1	39	SER	HA	H	4.027	0.015
321	1	39	SER	C	C	176.123	0.01
322	1	39	SER	CA	C	63.514	0.09
323	1	39	SER	N	N	115.661	0.01
324	1	40	LEU	H	H	8.228	0.018
325	1	40	LEU	HA	H	3.966	0.023
326	1	40	LEU	HB2	H	1.772	0.015
327	1	40	LEU	HD11	H	0.857	0.013
328	1	40	LEU	HD12	H	0.857	0.013
329	1	40	LEU	HD13	H	0.857	0.013
330	1	40	LEU	C	C	178.392	0.01
331	1	40	LEU	CA	C	58.256	0.029
332	1	40	LEU	CB	C	41.909	0.01
333	1	40	LEU	CD1	C	25.26	0.01
334	1	40	LEU	N	N	121.327	0.015
335	1	41	GLY	H	H	8.506	0.015
336	1	41	GLY	HA2	H	3.678	0.022
337	1	41	GLY	CA	C	48.005	0.167
338	1	41	GLY	N	N	107.096	0.131
339	1	42	ILE	H	H	7.962	0.007
340	1	42	ILE	HA	H	3.661	0.01
341	1	42	ILE	CA	C	65.217	0.034
342	1	42	ILE	N	N	118.535	0.014
343	1	43	THR	H	H	8.200	0.015
344	1	43	THR	HA	H	3.625	0.03
345	1	43	THR	HB	H	4.255	0.01
346	1	43	THR	HG21	H	1.12	0.011
347	1	43	THR	HG22	H	1.12	0.011
348	1	43	THR	HG23	H	1.12	0.011
349	1	43	THR	C	C	175.995	0.01
350	1	43	THR	CA	C	68.666	0.087
351	1	43	THR	CG2	C	21.868	0.016
352	1	43	THR	N	N	115.223	0.084
353	1	44	VAL	H	H	8.291	0.019
354	1	44	VAL	HA	H	3.569	0.016
355	1	44	VAL	HB	H	2.172	0.012
356	1	44	VAL	HG11	H	0.99	0.011
357	1	44	VAL	HG12	H	0.99	0.011
358	1	44	VAL	HG13	H	0.99	0.011
359	1	44	VAL	HG21	H	0.892	0.01
360	1	44	VAL	HG22	H	0.892	0.01
361	1	44	VAL	HG23	H	0.892	0.01
362	1	44	VAL	C	C	178.191	0.01
363	1	44	VAL	CA	C	67.248	0.083
364	1	44	VAL	CB	C	31.576	0.01
365	1	44	VAL	CG1	C	23.346	0.012
366	1	44	VAL	CG2	C	21.538	0.088
367	1	44	VAL	N	N	124.208	0.052
368	1	45	LEU	H	H	8.093	0.012
369	1	45	LEU	HA	H	4.048	0.018
370	1	45	LEU	HB2	H	1.78	0.014
371	1	45	LEU	HD11	H	0.825	0.018
372	1	45	LEU	HD12	H	0.825	0.018
373	1	45	LEU	HD13	H	0.825	0.018
374	1	45	LEU	C	C	180.075	0.01
375	1	45	LEU	CA	C	58.717	0.025
376	1	45	LEU	CB	C	41.974	0.01
377	1	45	LEU	CD1	C	25.074	0.036
378	1	45	LEU	N	N	118.686	0.094
379	1	46	LEU	H	H	8.891	0.01
380	1	46	LEU	HA	H	3.982	0.012
381	1	46	LEU	HB2	H	1.757	0.015
382	1	46	LEU	HB3	H	1.512	0.014
383	1	46	LEU	HD11	H	0.864	0.016
384	1	46	LEU	HD12	H	0.864	0.016
385	1	46	LEU	HD13	H	0.864	0.016
386	1	46	LEU	C	C	178.433	0.01
387	1	46	LEU	CA	C	58.396	0.101
388	1	46	LEU	CB	C	41.968	0.017
389	1	46	LEU	CD1	C	24.989	0.03
390	1	46	LEU	N	N	120.094	0.116
391	1	47	SER	H	H	8.133	0.017
392	1	47	SER	HA	H	4.046	0.01
393	1	47	SER	HB2	H	3.966	0.018
394	1	47	SER	CA	C	63.653	0.067
395	1	47	SER	CB	C	63.274	0.01
396	1	47	SER	N	N	115.661	0.129
397	1	48	LEU	HA	H	3.956	0.012
398	1	48	LEU	HB2	H	1.753	0.014
399	1	48	LEU	HD11	H	0.821	0.017
400	1	48	LEU	HD12	H	0.821	0.017
401	1	48	LEU	HD13	H	0.821	0.017
402	1	48	LEU	C	C	178.008	0.01
403	1	48	LEU	CA	C	58.397	0.052
404	1	48	LEU	CB	C	41.888	0.01
405	1	48	LEU	CD1	C	24.766	0.226
406	1	49	THR	H	H	8.007	0.017
407	1	49	THR	HA	H	3.725	0.024
408	1	49	THR	HG21	H	1.134	0.015
409	1	49	THR	HG22	H	1.134	0.015
410	1	49	THR	HG23	H	1.134	0.015
411	1	49	THR	C	C	175.952	0.01
412	1	49	THR	CA	C	68.782	0.068
413	1	49	THR	CG2	C	21.999	0.112
414	1	49	THR	N	N	117.589	0.105
415	1	50	VAL	H	H	8.595	0.012
416	1	50	VAL	HA	H	3.511	0.015
417	1	50	VAL	HB	H	2.191	0.013
418	1	50	VAL	HG11	H	0.962	0.017
419	1	50	VAL	HG12	H	0.962	0.017
420	1	50	VAL	HG13	H	0.962	0.017
421	1	50	VAL	HG21	H	0.835	0.01
422	1	50	VAL	HG22	H	0.835	0.01
423	1	50	VAL	HG23	H	0.835	0.01
424	1	50	VAL	C	C	177.285	0.01
425	1	50	VAL	CA	C	67.36	0.051
426	1	50	VAL	CB	C	31.662	0.01
427	1	50	VAL	CG1	C	22.689	0.095
428	1	50	VAL	CG2	C	21.327	0.023
429	1	50	VAL	N	N	123.423	0.08
430	1	51	PHE	H	H	8.360	0.011
431	1	51	PHE	HA	H	4.15	0.01
432	1	51	PHE	HD1	H	7.356	0.012
433	1	51	PHE	C	C	177.051	0.01
434	1	51	PHE	CA	C	61.907	0.042
435	1	51	PHE	CD1	C	130.626	0.062
436	1	51	PHE	N	N	118.015	0.064
437	1	52	MET	H	H	8.425	0.011
438	1	52	MET	HA	H	4.128	0.012
439	1	52	MET	HB2	H	1.979	0.017
440	1	52	MET	HG2	H	2.6	0.014
441	1	52	MET	HG3	H	2.397	0.01
442	1	52	MET	HE1	H	1.979	0.01
443	1	52	MET	HE2	H	1.979	0.01
444	1	52	MET	HE3	H	1.979	0.01
445	1	52	MET	C	C	178.115	0.01
446	1	52	MET	CA	C	58.882	0.064
447	1	52	MET	CB	C	31.93	0.01
448	1	52	MET	CG	C	33.329	0.071
449	1	52	MET	CE	C	17.395	0.01
450	1	52	MET	N	N	116.230	0.123
451	1	53	LEU	H	H	8.023	0.013
452	1	53	LEU	HA	H	3.975	0.01
453	1	53	LEU	HB2	H	1.855	0.012
454	1	53	LEU	HD11	H	0.818	0.016
455	1	53	LEU	HD12	H	0.818	0.016
456	1	53	LEU	HD13	H	0.818	0.016
457	1	53	LEU	C	C	178.244	0.01
458	1	53	LEU	CA	C	58.144	0.018
459	1	53	LEU	CB	C	42.116	0.01
460	1	53	LEU	CD1	C	24.968	0.051
461	1	53	LEU	N	N	118.735	0.113
462	1	54	LEU	H	H	8.039	0.016
463	1	54	LEU	HA	H	3.978	0.023
464	1	54	LEU	HB2	H	1.846	0.013
465	1	54	LEU	HD11	H	0.796	0.014
466	1	54	LEU	HD12	H	0.796	0.014
467	1	54	LEU	HD13	H	0.796	0.014
468	1	54	LEU	C	C	178.026	0.01
469	1	54	LEU	CA	C	58.259	0.05
470	1	54	LEU	CB	C	42.116	0.01
471	1	54	LEU	CD1	C	24.527	0.015
472	1	54	LEU	N	N	117.972	0.096
473	1	55	VAL	H	H	8.060	0.017
474	1	55	VAL	HA	H	3.422	0.03
475	1	55	VAL	HB	H	1.956	0.019
476	1	55	VAL	HG11	H	0.942	0.021
477	1	55	VAL	HG12	H	0.942	0.021
478	1	55	VAL	HG13	H	0.942	0.021
479	1	55	VAL	HG21	H	0.768	0.016
480	1	55	VAL	HG22	H	0.768	0.016
481	1	55	VAL	HG23	H	0.768	0.016
482	1	55	VAL	C	C	177.37	0.01
483	1	55	VAL	CA	C	66.793	0.043
484	1	55	VAL	CB	C	31.93	0.01
485	1	55	VAL	CG1	C	22.671	0.062
486	1	55	VAL	CG2	C	22.265	0.245
487	1	55	VAL	N	N	117.284	0.059
488	1	56	ALA	H	H	7.926	0.016
489	1	56	ALA	HA	H	3.953	0.018
490	1	56	ALA	HB1	H	1.449	0.01
491	1	56	ALA	HB2	H	1.449	0.01
492	1	56	ALA	HB3	H	1.449	0.01
493	1	56	ALA	C	C	178.769	0.01
494	1	56	ALA	CA	C	54.712	0.043
495	1	56	ALA	CB	C	18.659	0.059
496	1	56	ALA	N	N	119.631	0.043
497	1	57	GLU	H	H	7.592	0.01
498	1	57	GLU	HA	H	4.263	0.011
499	1	57	GLU	HB2	H	2.086	0.01
500	1	57	GLU	HG2	H	2.211	0.01
501	1	57	GLU	C	C	177.3	0.01
502	1	57	GLU	CA	C	57.203	0.056
503	1	57	GLU	CB	C	29.578	0.01
504	1	57	GLU	CG	C	36.039	0.01
505	1	57	GLU	N	N	113.471	0.108
506	1	58	ILE	H	H	7.667	0.011
507	1	58	ILE	HA	H	4.176	0.017
508	1	58	ILE	HB	H	1.907	0.015
509	1	58	ILE	HG13	H	1.316	0.025
510	1	58	ILE	HG21	H	0.913	0.013
511	1	58	ILE	HG22	H	0.913	0.013
512	1	58	ILE	HG23	H	0.913	0.013
513	1	58	ILE	HD11	H	0.781	0.015
514	1	58	ILE	HD12	H	0.781	0.015
515	1	58	ILE	HD13	H	0.781	0.015
516	1	58	ILE	C	C	175.556	0.01
517	1	58	ILE	CA	C	61.911	0.066
518	1	58	ILE	CB	C	38.515	0.01
519	1	58	ILE	CG1	C	28.268	0.01
520	1	58	ILE	CG2	C	18.203	0.031
521	1	58	ILE	CD1	C	13.652	0.265
522	1	58	ILE	N	N	113.926	0.096
523	1	59	MET	H	H	7.648	0.015
524	1	59	MET	HA	H	4.567	0.014
525	1	59	MET	HB2	H	2.018	0.018
526	1	59	MET	HG2	H	2.564	0.018
527	1	59	MET	HE1	H	1.979	0.01
528	1	59	MET	HE2	H	1.979	0.01
529	1	59	MET	HE3	H	1.979	0.01
530	1	59	MET	CA	C	54.317	0.042
531	1	59	MET	CB	C	33.005	0.01
532	1	59	MET	CG	C	32.806	0.01
533	1	59	MET	CE	C	17.395	0.01
534	1	59	MET	N	N	119.885	0.103
535	1	60	PRO	HA	H	4.465	0.01
536	1	60	PRO	HB2	H	1.909	0.017
537	1	60	PRO	HB3	H	2.287	0.014
538	1	60	PRO	HD3	H	3.609	0.015
539	1	60	PRO	C	C	176.874	0.01
540	1	60	PRO	CA	C	63.525	0.028
541	1	60	PRO	CB	C	31.232	0.011
542	1	60	PRO	CD	C	50.595	0.01
543	1	61	SER	H	H	8.329	0.017
544	1	61	SER	HA	H	4.476	0.02
545	1	61	SER	HB2	H	3.87	0.01
546	1	61	SER	C	C	174.979	0.01
547	1	61	SER	CA	C	58.527	0.022
548	1	61	SER	CB	C	63.554	0.01
549	1	61	SER	N	N	115.321	0.048
550	1	62	THR	H	H	8.013	0.015
551	1	62	THR	HA	H	4.407	0.013
552	1	62	THR	HG21	H	1.177	0.017
553	1	62	THR	HG22	H	1.177	0.017
554	1	62	THR	HG23	H	1.177	0.017
555	1	62	THR	C	C	174.765	0.01
556	1	62	THR	CA	C	61.995	0.048
557	1	62	THR	CG2	C	21.888	0.028
558	1	62	THR	N	N	114.442	0.163
559	1	63	SER	H	H	8.184	0.016
560	1	63	SER	HA	H	4.404	0.012
561	1	63	SER	HB2	H	3.848	0.01
562	1	63	SER	C	C	174.351	0.01
563	1	63	SER	CA	C	58.748	0.079
564	1	63	SER	CB	C	63.992	0.01
565	1	63	SER	N	N	116.611	0.063
566	1	64	ASP	H	H	8.168	0.014
567	1	64	ASP	HA	H	4.504	0.015
568	1	64	ASP	HB2	H	2.684	0.02
569	1	64	ASP	C	C	176.016	0.01
570	1	64	ASP	CA	C	54.587	0.045
571	1	64	ASP	CB	C	41.293	0.01
572	1	64	ASP	N	N	121.683	0.105
573	1	65	SER	H	H	8.007	0.014
574	1	65	SER	HA	H	4.429	0.016
575	1	65	SER	HB2	H	3.861	0.012
576	1	65	SER	C	C	174.398	0.01
577	1	65	SER	CA	C	58.612	0.03
578	1	65	SER	CB	C	63.992	0.01
579	1	65	SER	N	N	114.879	0.127
580	1	66	SER	H	H	8.213	0.019
581	1	66	SER	HA	H	4.684	0.016
582	1	66	SER	HB2	H	3.889	0.015
583	1	66	SER	CA	C	57.401	0.019
584	1	66	SER	CB	C	64.027	0.01
585	1	66	SER	N	N	118.039	0.104
586	1	67	PRO	HA	H	4.373	0.01
587	1	67	PRO	HB2	H	2.183	0.01
588	1	67	PRO	HD2	H	3.486	0.01
589	1	67	PRO	HD3	H	3.567	0.012
590	1	67	PRO	C	C	177.094	0.01
591	1	67	PRO	CA	C	63.92	0.046
592	1	67	PRO	CB	C	31.275	0.01
593	1	67	PRO	CD	C	50.427	0.01
594	1	68	SER	H	H	8.064	0.015
595	1	68	SER	HA	H	4.437	0.01
596	1	68	SER	HB2	H	3.872	0.011
597	1	68	SER	C	C	175.206	0.01
598	1	68	SER	CA	C	58.83	0.016
599	1	68	SER	CB	C	63.768	0.01
600	1	68	SER	N	N	115.294	0.152
601	1	69	ILE	H	H	8.490	0.018
602	1	69	ILE	HA	H	3.947	0.018
603	1	69	ILE	HB	H	1.933	0.015
604	1	69	ILE	HG12	H	1.652	0.013
605	1	69	ILE	HG13	H	1.28	0.015
606	1	69	ILE	HG21	H	0.953	0.017
607	1	69	ILE	HG22	H	0.953	0.017
608	1	69	ILE	HG23	H	0.953	0.017
609	1	69	ILE	HD11	H	0.91	0.019
610	1	69	ILE	HD12	H	0.91	0.019
611	1	69	ILE	HD13	H	0.91	0.019
612	1	69	ILE	C	C	177.493	0.01
613	1	69	ILE	CA	C	64.525	0.019
614	1	69	ILE	CB	C	37.602	0.01
615	1	69	ILE	CG1	C	28.483	0.075
616	1	69	ILE	CG2	C	17.843	0.122
617	1	69	ILE	CD1	C	13.365	0.049
618	1	69	ILE	N	N	122.411	0.058
619	1	70	ALA	H	H	8.314	0.019
620	1	70	ALA	HA	H	3.964	0.02
621	1	70	ALA	HB1	H	1.409	0.019
622	1	70	ALA	HB2	H	1.409	0.019
623	1	70	ALA	HB3	H	1.409	0.019
624	1	70	ALA	C	C	179.564	0.01
625	1	70	ALA	CA	C	55.603	0.09
626	1	70	ALA	CB	C	18.255	0.074
627	1	70	ALA	N	N	122.756	0.16
628	1	71	GLN	H	H	7.973	0.014
629	1	71	GLN	HA	H	3.954	0.016
630	1	71	GLN	HB2	H	2.188	0.012
631	1	71	GLN	HG2	H	2.262	0.025
632	1	71	GLN	HE21	H	7.399	0.013
633	1	71	GLN	HE22	H	6.729	0.014
634	1	71	GLN	CA	C	59.229	0.059
635	1	71	GLN	CB	C	28.648	0.01
636	1	71	GLN	CG	C	34.336	0.01
637	1	71	GLN	N	N	116.925	0.118
638	1	71	GLN	NE2	N	111.637	0.017
639	1	72	TYR	H	H	8.262	0.019
640	1	72	TYR	HA	H	4.191	0.011
641	1	72	TYR	HB2	H	3.292	0.017
642	1	72	TYR	HB3	H	3.045	0.014
643	1	72	TYR	HD1	H	7.115	0.018
644	1	72	TYR	HE1	H	6.778	0.013
645	1	72	TYR	C	C	179.414	0.01
646	1	72	TYR	CA	C	61.653	0.093
647	1	72	TYR	CB	C	38.376	0.021
648	1	72	TYR	CD1	C	133.253	0.137
649	1	72	TYR	CE1	C	118.199	0.035
650	1	72	TYR	N	N	120.261	0.187
651	1	73	PHE	H	H	8.695	0.014
652	1	73	PHE	HA	H	4.168	0.014
653	1	73	PHE	HB2	H	3.086	0.014
654	1	73	PHE	HD1	H	7	0.02
655	1	73	PHE	HE1	H	7.003	0.031
656	1	73	PHE	C	C	177.647	0.01
657	1	73	PHE	CA	C	61.315	0.076
658	1	73	PHE	CB	C	38.365	0.01
659	1	73	PHE	CD1	C	131.232	0.014
660	1	73	PHE	N	N	120.938	0.049
661	1	74	ALA	H	H	8.609	0.012
662	1	74	ALA	HA	H	3.861	0.01
663	1	74	ALA	HB1	H	1.508	0.019
664	1	74	ALA	HB2	H	1.508	0.019
665	1	74	ALA	HB3	H	1.508	0.019
666	1	74	ALA	C	C	179.197	0.01
667	1	74	ALA	CA	C	55.902	0.075
668	1	74	ALA	CB	C	18.689	0.134
669	1	74	ALA	N	N	120.926	0.106
670	1	75	SER	H	H	8.267	0.019
671	1	75	SER	HA	H	4.009	0.019
672	1	75	SER	CA	C	63.448	0.055
673	1	75	SER	N	N	111.815	0.103
674	1	76	THR	H	H	8.184	0.011
675	1	76	THR	HA	H	3.444	0.019
676	1	76	THR	HG21	H	1.116	0.017
677	1	76	THR	HG22	H	1.116	0.017
678	1	76	THR	HG23	H	1.116	0.017
679	1	76	THR	C	C	176.476	0.01
680	1	76	THR	CA	C	67.971	0.035
681	1	76	THR	CG2	C	21.907	0.034
682	1	76	THR	N	N	115.733	0.064
683	1	77	MET	H	H	8.180	0.018
684	1	77	MET	HA	H	4.054	0.016
685	1	77	MET	HB2	H	1.946	0.019
686	1	77	MET	HG2	H	2.532	0.011
687	1	77	MET	HG3	H	2.644	0.02
688	1	77	MET	CA	C	59.326	0.015
689	1	77	MET	CB	C	31.995	0.01
690	1	77	MET	CG	C	33.269	0.036
691	1	77	MET	N	N	119.244	0.056
692	1	78	ILE	H	H	8.203	0.018
693	1	78	ILE	HA	H	3.478	0.019
694	1	78	ILE	HB	H	1.833	0.01
695	1	78	ILE	HG21	H	0.812	0.011
696	1	78	ILE	HG22	H	0.812	0.011
697	1	78	ILE	HG23	H	0.812	0.011
698	1	78	ILE	HD11	H	0.704	0.018
699	1	78	ILE	HD12	H	0.704	0.018
700	1	78	ILE	HD13	H	0.704	0.018
701	1	78	ILE	CA	C	65.845	0.083
702	1	78	ILE	CB	C	37.387	0.01
703	1	78	ILE	CG2	C	17.679	0.07
704	1	78	ILE	CD1	C	13.127	0.158
705	1	78	ILE	N	N	119.328	0.012
706	1	79	ILE	H	H	8.162	0.016
707	1	79	ILE	HA	H	3.686	0.016
708	1	79	ILE	HB	H	1.853	0.01
709	1	79	ILE	HG21	H	0.839	0.016
710	1	79	ILE	HG22	H	0.839	0.016
711	1	79	ILE	HG23	H	0.839	0.016
712	1	79	ILE	HD11	H	0.832	0.016
713	1	79	ILE	HD12	H	0.832	0.016
714	1	79	ILE	HD13	H	0.832	0.016
715	1	79	ILE	C	C	178.115	0.01
716	1	79	ILE	CA	C	66.007	0.024
717	1	79	ILE	CB	C	37.386	0.01
718	1	79	ILE	CG2	C	17.724	0.012
719	1	79	ILE	CD1	C	13.33	0.076
720	1	79	ILE	N	N	119.686	0.043
721	1	80	VAL	H	H	8.289	0.014
722	1	80	VAL	HA	H	3.675	0.013
723	1	80	VAL	HB	H	2.322	0.012
724	1	80	VAL	HG11	H	1.023	0.02
725	1	80	VAL	HG12	H	1.023	0.02
726	1	80	VAL	HG13	H	1.023	0.02
727	1	80	VAL	HG21	H	0.945	0.018
728	1	80	VAL	HG22	H	0.945	0.018
729	1	80	VAL	HG23	H	0.945	0.018
730	1	80	VAL	CA	C	67.149	0.041
731	1	80	VAL	CB	C	31.511	0.01
732	1	80	VAL	CG1	C	23.355	0.234
733	1	80	VAL	CG2	C	22.133	0.023
734	1	80	VAL	N	N	118.420	0.121
735	1	81	GLY	H	H	8.663	0.011
736	1	81	GLY	HA2	H	3.621	0.019
737	1	81	GLY	C	C	174.948	0.01
738	1	81	GLY	CA	C	48.004	0.151
739	1	81	GLY	N	N	107.159	0.073
740	1	82	LEU	H	H	8.729	0.019
741	1	82	LEU	HA	H	4.027	0.01
742	1	82	LEU	HB2	H	1.603	0.014
743	1	82	LEU	HD11	H	0.795	0.013
744	1	82	LEU	HD12	H	0.795	0.013
745	1	82	LEU	HD13	H	0.795	0.013
746	1	82	LEU	C	C	178.413	0.01
747	1	82	LEU	CA	C	58.221	0.013
748	1	82	LEU	CB	C	42.275	0.01
749	1	82	LEU	CD1	C	25.125	0.087
750	1	82	LEU	N	N	120.215	0.16
751	1	83	SER	H	H	8.133	0.017
752	1	83	SER	HA	H	4.034	0.01
753	1	83	SER	CA	C	63.693	0.011
754	1	83	SER	N	N	115.661	0.079
755	1	84	VAL	H	H	8.505	0.018
756	1	84	VAL	HA	H	3.558	0.013
757	1	84	VAL	HG11	H	1.056	0.016
758	1	84	VAL	HG12	H	1.056	0.016
759	1	84	VAL	HG13	H	1.056	0.016
760	1	84	VAL	CA	C	67.677	0.078
761	1	84	VAL	CG1	C	23.488	0.01
762	1	84	VAL	N	N	121.704	0.075
763	1	85	VAL	H	H	8.469	0.018
764	1	85	VAL	HA	H	3.441	0.01
765	1	85	VAL	HB	H	2.214	0.013
766	1	85	VAL	HG11	H	1.004	0.018
767	1	85	VAL	HG12	H	1.004	0.018
768	1	85	VAL	HG13	H	1.004	0.018
769	1	85	VAL	HG21	H	0.872	0.01
770	1	85	VAL	HG22	H	0.872	0.01
771	1	85	VAL	HG23	H	0.872	0.01
772	1	85	VAL	C	C	177.476	0.01
773	1	85	VAL	CA	C	67.544	0.06
774	1	85	VAL	CB	C	31.383	0.01
775	1	85	VAL	CG1	C	23.378	0.033
776	1	85	VAL	CG2	C	21.606	0.02
777	1	85	VAL	N	N	116.844	0.021
778	1	86	VAL	H	H	7.866	0.019
779	1	86	VAL	HA	H	3.358	0.017
780	1	86	VAL	HB	H	2.215	0.012
781	1	86	VAL	HG11	H	1.012	0.01
782	1	86	VAL	HG12	H	1.012	0.01
783	1	86	VAL	HG13	H	1.012	0.01
784	1	86	VAL	HG21	H	0.913	0.013
785	1	86	VAL	HG22	H	0.913	0.013
786	1	86	VAL	HG23	H	0.913	0.013
787	1	86	VAL	C	C	177.915	0.01
788	1	86	VAL	CA	C	67.618	0.055
789	1	86	VAL	CB	C	31.823	0.01
790	1	86	VAL	CG1	C	23.395	0.05
791	1	86	VAL	CG2	C	21.708	0.082
792	1	86	VAL	N	N	118.505	0.061
793	1	87	THR	H	H	7.781	0.01
794	1	87	THR	HA	H	3.614	0.018
795	1	87	THR	HG21	H	1.074	0.011
796	1	87	THR	HG22	H	1.074	0.011
797	1	87	THR	HG23	H	1.074	0.011
798	1	87	THR	C	C	175.144	0.01
799	1	87	THR	CA	C	68.841	0.261
800	1	87	THR	CG2	C	21.454	0.039
801	1	87	THR	N	N	115.514	0.084
802	1	88	VAL	H	H	8.113	0.012
803	1	88	VAL	HA	H	3.51	0.019
804	1	88	VAL	HB	H	2.133	0.012
805	1	88	VAL	HG11	H	1.01	0.015
806	1	88	VAL	HG12	H	1.01	0.015
807	1	88	VAL	HG13	H	1.01	0.015
808	1	88	VAL	HG21	H	0.938	0.014
809	1	88	VAL	HG22	H	0.938	0.014
810	1	88	VAL	HG23	H	0.938	0.014
811	1	88	VAL	C	C	177.125	0.01
812	1	88	VAL	CA	C	67.571	0.087
813	1	88	VAL	CB	C	31.587	0.01
814	1	88	VAL	CG1	C	23.537	0.028
815	1	88	VAL	CG2	C	22.002	0.1
816	1	88	VAL	N	N	120.067	0.142
817	1	89	ILE	H	H	8.418	0.017
818	1	89	ILE	HA	H	3.971	0.017
819	1	89	ILE	HB	H	1.917	0.014
820	1	89	ILE	HG13	H	1.3	0.017
821	1	89	ILE	HG21	H	0.878	0.01
822	1	89	ILE	HG22	H	0.878	0.01
823	1	89	ILE	HG23	H	0.878	0.01
824	1	89	ILE	C	C	177.874	0.01
825	1	89	ILE	CA	C	64.454	0.012
826	1	89	ILE	CB	C	37.881	0.01
827	1	89	ILE	CG1	C	28.321	0.01
828	1	89	ILE	CG2	C	17.815	0.066
829	1	89	ILE	N	N	118.971	0.326
830	1	90	VAL	H	H	8.131	0.014
831	1	90	VAL	HA	H	3.825	0.018
832	1	90	VAL	HG21	H	0.897	0.015
833	1	90	VAL	HG22	H	0.897	0.015
834	1	90	VAL	HG23	H	0.897	0.015
835	1	90	VAL	CA	C	64.469	0.076
836	1	90	VAL	CG2	C	21.526	0.1
837	1	90	VAL	N	N	119.004	0.128
838	1	91	LEU	H	H	8.103	0.013
839	1	91	LEU	HA	H	4.276	0.013
840	1	91	LEU	HB2	H	1.847	0.019
841	1	91	LEU	HD11	H	0.826	0.018
842	1	91	LEU	HD12	H	0.826	0.018
843	1	91	LEU	HD13	H	0.826	0.018
844	1	91	LEU	CA	C	56.45	0.014
845	1	91	LEU	CB	C	42.156	0.01
846	1	91	LEU	CD1	C	24.602	0.067
847	1	91	LEU	N	N	120.214	0.076
848	1	92	GLN	HA	H	4.218	0.01
849	1	92	GLN	HB2	H	2.123	0.01
850	1	92	GLN	HG2	H	2.34	0.01
851	1	92	GLN	HE21	H	7.121	0.014
852	1	92	GLN	HE22	H	6.577	0.013
853	1	92	GLN	C	C	175.901	0.01
854	1	92	GLN	CA	C	57.581	0.064
855	1	92	GLN	CB	C	29.61	0.01
856	1	92	GLN	CG	C	34.006	0.01
857	1	92	GLN	NE2	N	109.806	0.021
858	1	93	TYR	H	H	8.1	0.016
859	1	93	TYR	HA	H	4.349	0.016
860	1	93	TYR	HB2	H	2.718	0.016
861	1	93	TYR	HB3	H	2.806	0.017
862	1	93	TYR	HD1	H	6.966	0.02
863	1	93	TYR	HE1	H	6.7	0.013
864	1	93	TYR	C	C	176.629	0.01
865	1	93	TYR	CA	C	59.972	0.017
866	1	93	TYR	CB	C	39.004	0.017
867	1	93	TYR	CD1	C	133.192	0.098
868	1	93	TYR	CE1	C	118.131	0.054
869	1	93	TYR	N	N	119.718	0.114
870	1	94	HIS	H	H	8.06	0.019
871	1	94	HIS	HA	H	4.572	0.015
872	1	94	HIS	HB2	H	3.135	0.01
873	1	94	HIS	HB3	H	3.065	0.019
874	1	94	HIS	HD2	H	7.195	0.011
875	1	94	HIS	CA	C	56.222	0.059
876	1	94	HIS	CB	C	29.778	0.014
877	1	94	HIS	N	N	122.371	0.07
878	1	95	HIS	H	H	8.134	0.016
879	1	95	HIS	HA	H	4.55	0.014
880	1	95	HIS	HB2	H	3.129	0.016
881	1	95	HIS	HB3	H	3.069	0.011
882	1	95	HIS	CA	C	56.096	0.04
883	1	95	HIS	CB	C	29.769	0.014
884	1	95	HIS	N	N	122.181	0.021
885	1	96	HIS	H	H	8.406	0.005
886	1	96	HIS	HA	H	4.558	0.013
887	1	96	HIS	HB2	H	3.131	0.015
888	1	96	HIS	HB3	H	3.077	0.016
889	1	96	HIS	HD2	H	7.162	0.009
890	1	96	HIS	C	C	173.576	0.01
891	1	96	HIS	CA	C	55.461	0.035
892	1	96	HIS	CB	C	29.778	0.014
893	1	96	HIS	N	N	120.776	0.112
894	1	97	ASP	H	H	8.247	0.014
895	1	97	ASP	HA	H	4.824	0.003
896	1	97	ASP	CA	C	52.331	0.193
897	1	97	ASP	N	N	122.938	0.012
898	1	98	PRO	HA	H	4.334	0.016
899	1	98	PRO	HB2	H	1.948	0.011
900	1	98	PRO	C	C	176.874	0
901	1	98	PRO	CA	C	63.936	0.032
902	1	98	PRO	CB	C	31.778	0.032
903	1	99	ASP	H	H	8.196	0.008
904	1	99	ASP	HA	H	4.588	0.024
905	1	99	ASP	HB2	H	2.688	0.006
906	1	99	ASP	HB3	H	2.672	0.005
907	1	99	ASP	C	C	176.984	0
908	1	99	ASP	CA	C	54.308	0.124
909	1	99	ASP	CB	C	41.218	0.083
910	1	99	ASP	N	N	118.270	0.334
911	1	100	GLY	H	H	8.093	0.006
912	1	100	GLY	HA2	H	3.872	0.002
913	1	100	GLY	C	C	174.88	0
914	1	100	GLY	CA	C	46.027	0.101
915	1	100	GLY	N	N	108.762	0.088
916	1	101	GLY	H	H	8.286	0.012
917	1	101	GLY	HA2	H	3.875	0.013
918	1	101	GLY	C	C	173.985	0
919	1	101	GLY	CA	C	45.542	0.093
920	1	101	GLY	N	N	108.397	0.093
921	1	102	LYS	H	H	7.882	0.004
922	1	102	LYS	HA	H	4.189	0.025
923	1	102	LYS	HB2	H	1.728	0.023
924	1	102	LYS	CA	C	55.879	0.001
925	1	102	LYS	CB	C	32.609	0.143
926	1	102	LYS	N	N	119.787	0.126
927	1	103	MET	H	H	8.271	0.01
928	1	103	MET	CA	C	54.113	0.107
929	1	103	MET	N	N	123.367	0.025
930	1	104	PRO	C	C	177.471	0
931	1	104	PRO	CA	C	63.378	0.093
932	1	105	LYS	H	H	8.434	0.012
933	1	105	LYS	CA	C	56.661	0.057
934	1	105	LYS	N	N	121.413	0.103
935	1	106	TRP	H	H	7.700	0.012
936	1	106	TRP	HE1	H	10.726	0.026
937	1	106	TRP	C	C	177.483	0
938	1	106	TRP	CA	C	58.458	0.041
939	1	106	TRP	N	N	118.131	0.072
940	1	106	TRP	NE1	N	131.839	0.079
941	1	107	THR	H	H	6.896	0.008
942	1	107	THR	HA	H	4.013	0.023
943	1	107	THR	C	C	175.294	0
944	1	107	THR	CA	C	64.873	0.078
945	1	107	THR	N	N	113.139	0.121
946	1	108	ARG	H	H	7.511	0.026
947	1	108	ARG	HA	H	3.909	0.014
948	1	108	ARG	HB2	H	1.886	0.017
949	1	108	ARG	C	C	177.549	0
950	1	108	ARG	CA	C	59.493	0.067
951	1	108	ARG	N	N	120.981	0.185
952	1	109	VAL	H	H	7.692	0.012
953	1	109	VAL	HA	H	3.825	0.006
954	1	109	VAL	HB	H	2.194	0.02
955	1	109	VAL	HG11	H	0.999	0.015
956	1	109	VAL	HG12	H	0.999	0.015
957	1	109	VAL	HG13	H	0.999	0.015
958	1	109	VAL	C	C	177.704	0
959	1	109	VAL	CA	C	65.557	0.04
960	1	109	VAL	N	N	116.599	0.166
961	1	110	ILE	H	H	7.386	0.015
962	1	110	ILE	HA	H	3.858	0.019
963	1	110	ILE	HB	H	1.747	0.01
964	1	110	ILE	HG21	H	0.569	0.002
965	1	110	ILE	HG22	H	0.569	0.002
966	1	110	ILE	HG23	H	0.569	0.002
967	1	110	ILE	C	C	176.812	0
968	1	110	ILE	CA	C	64.093	0.099
969	1	110	ILE	CG2	C	16.733	0.016
970	1	110	ILE	N	N	119.090	0.227
971	1	111	LEU	H	H	7.686	0.01
972	1	111	LEU	HA	H	4.088	0.021
973	1	111	LEU	HB2	H	1.671	0.005
974	1	111	LEU	HD11	H	0.852	0.008
975	1	111	LEU	HD12	H	0.852	0.008
976	1	111	LEU	HD13	H	0.852	0.008
977	1	111	LEU	C	C	177.988	0
978	1	111	LEU	CA	C	57.842	0.166
979	1	111	LEU	N	N	118.604	0.186
980	1	112	LEU	H	H	7.556	0.007
981	1	112	LEU	HA	H	4.125	0.016
982	1	112	LEU	C	C	179.089	0
983	1	112	LEU	CA	C	57.919	0.041
984	1	112	LEU	N	N	118.515	0.2
985	1	113	ASN	H	H	7.961	0.011
986	1	113	ASN	HA	H	4.581	0.015
987	1	113	ASN	HB3	H	2.633	0.018
988	1	113	ASN	CA	C	55.791	0.217
989	1	113	ASN	N	N	117.929	0.224
990	1	114	TRP	HE1	H	10.193	0.019
991	1	114	TRP	C	C	176.588	0
992	1	114	TRP	CA	C	59.698	0.21
993	1	114	TRP	NE1	N	128.757	0.007
994	1	115	CYS	H	H	8.226	0.027
995	1	115	CYS	HA	H	4.446	0.013
996	1	115	CYS	C	C	175.868	0
997	1	115	CYS	CA	C	62.901	0.017
998	1	115	CYS	N	N	115.951	0.063
999	1	116	ALA	H	H	7.838	0.086
1000	1	116	ALA	HA	H	4.097	0.016
1001	1	116	ALA	HB1	H	1.4	0.012
1002	1	116	ALA	HB2	H	1.4	0.012
1003	1	116	ALA	HB3	H	1.4	0.012
1004	1	116	ALA	C	C	179.122	0
1005	1	116	ALA	CA	C	54.975	0.069
1006	1	116	ALA	N	N	121.074	0.293
1007	1	117	TRP	H	H	7.822	0.024
1008	1	117	TRP	HB2	H	3.055	0.011
1009	1	117	TRP	HE1	H	10.246	0
1010	1	117	TRP	C	C	178.263	0
1011	1	117	TRP	CA	C	59.986	0.125
1012	1	117	TRP	N	N	117.584	0.162
1013	1	117	TRP	NE1	N	130.206	0.027
1014	1	118	PHE	H	H	7.833	0.02
1015	1	118	PHE	HA	H	4.217	0.016
1016	1	118	PHE	HB2	H	3.05	0.009
1017	1	118	PHE	HD1	H	7.202	0.009
1018	1	118	PHE	CA	C	60.023	0.217
1019	1	118	PHE	N	N	115.878	0.375
1020	1	119	LEU	H	H	7.649	0.002
1021	1	119	LEU	C	C	176.919	0
1022	1	119	LEU	CA	C	55.605	0.017
1023	1	119	LEU	N	N	116.769	0.016
1024	1	120	ARG	H	H	7.556	0.05
1025	1	120	ARG	HA	H	4.17	0.024
1026	1	120	ARG	CA	C	56.502	0.029
1027	1	120	ARG	N	N	118.515	0.363
1028	1	121	MET	H	H	7.793	0.01
1029	1	121	MET	C	C	176.29	0
1030	1	121	MET	CA	C	55.771	0.019
1031	1	121	MET	CB	C	32.739	0
1032	1	121	MET	N	N	120.506	0.127
1033	1	122	LYS	H	H	8.027	0.01
1034	1	122	LYS	HA	H	4.301	0.017
1035	1	122	LYS	HB2	H	1.691	0.014
1036	1	122	LYS	C	C	175.98	0
1037	1	122	LYS	CA	C	56.018	0.047
1038	1	122	LYS	CB	C	33.31	0
1039	1	122	LYS	N	N	122.080	0.138
1040	1	123	ARG	H	H	8.353	0.012
1041	1	123	ARG	HA	H	4.284	0.015
1042	1	123	ARG	HB2	H	1.695	0.011
1043	1	123	ARG	CA	C	54.033	0.165
1044	1	123	ARG	CB	C	29.458	0
1045	1	123	ARG	N	N	123.818	0.128
1046	1	124	PRO	HA	H	4.37	0.011
1047	1	124	PRO	HB2	H	2.223	0.016
1048	1	124	PRO	HB3	H	1.978	0.003
1049	1	124	PRO	HG2	H	1.975	0.017
1050	1	124	PRO	HG3	H	1.872	0.012
1051	1	124	PRO	HD2	H	3.591	0.006
1052	1	124	PRO	HD3	H	3.773	0.005
1053	1	124	PRO	C	C	177.476	0
1054	1	124	PRO	CA	C	63.423	0.124
1055	1	124	PRO	CB	C	31.851	0.04
1056	1	124	PRO	CD	C	50.592	0.126
1057	1	125	GLY	H	H	8.408	0.007
1058	1	125	GLY	HA2	H	3.891	0.017
1059	1	125	GLY	HA3	H	3.938	0.025
1060	1	125	GLY	C	C	174.419	0
1061	1	125	GLY	CA	C	45.445	0.182
1062	1	125	GLY	N	N	109.555	0.106
1063	1	126	GLU	H	H	8.008	0.008
1064	1	126	GLU	HA	H	4.267	0.008
1065	1	126	GLU	HB2	H	1.962	0.01
1066	1	126	GLU	HG2	H	2.244	0.023
1067	1	126	GLU	C	C	176.158	0
1068	1	126	GLU	CA	C	56.7	0.139
1069	1	126	GLU	CB	C	30.156	0.09
1070	1	126	GLU	CG	C	35.916	0.086
1071	1	126	GLU	N	N	120.252	0.093
1072	1	127	ASP	H	H	8.333	0.004
1073	1	127	ASP	HA	H	4.534	0.016
1074	1	127	ASP	HB2	H	2.632	0.012
1075	1	127	ASP	C	C	175.974	0
1076	1	127	ASP	CA	C	54.313	0.072
1077	1	127	ASP	CB	C	40.82	0.09
1078	1	127	ASP	N	N	120.557	0.114
1079	1	128	LYS	H	H	8.002	0.008
1080	1	128	LYS	HA	H	4.276	0.018
1081	1	128	LYS	HB2	H	1.701	0.013
1082	1	128	LYS	HE2	H	2.936	0.016
1083	1	128	LYS	C	C	176.338	0
1084	1	128	LYS	CA	C	56.2	0.015
1085	1	128	LYS	CB	C	32.904	0.006
1086	1	128	LYS	N	N	120.846	0.128
1087	1	129	VAL	H	H	7.914	0.01
1088	1	129	VAL	HA	H	4.024	0.014
1089	1	129	VAL	HB	H	1.903	0.017
1090	1	129	VAL	HG11	H	0.87	0.007
1091	1	129	VAL	HG12	H	0.87	0.007
1092	1	129	VAL	HG13	H	0.87	0.007
1093	1	129	VAL	C	C	175.797	0
1094	1	129	VAL	CA	C	62.313	0.064
1095	1	129	VAL	CB	C	32.557	0.039
1096	1	129	VAL	N	N	120.821	0.08
1097	1	130	ARG	H	H	8.256	0.009
1098	1	130	ARG	HA	H	4.554	0.011
1099	1	130	ARG	HB2	H	1.64	0.014
1100	1	130	ARG	HG2	H	1.641	0.016
1101	1	130	ARG	CA	C	53.948	0.312
1102	1	130	ARG	CB	C	29.278	0.355
1103	1	130	ARG	CD	C	42.434	0.234
1104	1	130	ARG	N	N	126.052	0.128
1105	1	131	PRO	HA	H	4.361	0.016
1106	1	131	PRO	HB3	H	1.896	0.016
1107	1	131	PRO	C	C	176.784	0
1108	1	131	PRO	CA	C	63.167	0.029
1109	1	131	PRO	CB	C	31.85	0.101
1110	1	132	ALA	H	H	8.296	0.004
1111	1	132	ALA	HA	H	4.324	0.02
1112	1	132	ALA	HB1	H	1.373	0.016
1113	1	132	ALA	HB2	H	1.373	0.016
1114	1	132	ALA	HB3	H	1.373	0.016
1115	1	132	ALA	C	C	177.895	0
1116	1	132	ALA	CA	C	52.538	0.173
1117	1	132	ALA	CB	C	18.996	0.073
1118	1	132	ALA	N	N	124.188	0.12
1119	1	133	CYS	H	H	8.102	0.009
1120	1	133	CYS	HA	H	4.328	0.018
1121	1	133	CYS	HB2	H	2.861	0.004
1122	1	133	CYS	C	C	174.565	0
1123	1	133	CYS	CA	C	58.355	0.07
1124	1	133	CYS	CB	C	28.072	0.052
1125	1	133	CYS	N	N	117.811	0.147
1126	1	134	GLN	H	H	8.168	0.008
1127	1	134	GLN	HA	H	4.29	0.009
1128	1	134	GLN	C	C	175.741	0
1129	1	134	GLN	CA	C	55.995	0.033
1130	1	134	GLN	CB	C	29.404	0.017
1131	1	134	GLN	N	N	121.683	0.107
1132	1	135	HIS	H	H	8.306	0.004
1133	1	135	HIS	HA	H	4.562	0
1134	1	135	HIS	HB2	H	3.065	0
1135	1	135	HIS	C	C	174.366	0
1136	1	135	HIS	CA	C	55.302	0.015
1137	1	135	HIS	CB	C	29.046	0
1138	1	135	HIS	N	N	119.455	0.085
1139	1	136	LYS	H	H	8.203	0.009
1140	1	136	LYS	HA	H	4.264	0.011
1141	1	136	LYS	C	C	176.282	0
1142	1	136	LYS	CA	C	56.391	0.045
1143	1	136	LYS	CB	C	32.955	0.027
1144	1	136	LYS	N	N	122.566	0.217
1145	1	137	GLN	H	H	8.306	0.009
1146	1	137	GLN	HA	H	4.265	0.009
1147	1	137	GLN	HB2	H	2.022	0.013
1148	1	137	GLN	HG2	H	2.03	0.013
1149	1	137	GLN	C	C	175.821	0
1150	1	137	GLN	CA	C	55.907	0.014
1151	1	137	GLN	CB	C	29.64	0.198
1152	1	137	GLN	N	N	121.666	0.055
1153	1	138	ARG	H	H	8.315	0.01
1154	1	138	ARG	HA	H	4.292	0.007
1155	1	138	ARG	HB2	H	1.798	0.016
1156	1	138	ARG	C	C	175.821	0
1157	1	138	ARG	CA	C	56.17	0.018
1158	1	138	ARG	CB	C	30.868	0.009
1159	1	138	ARG	N	N	122.954	0.167
1160	1	139	ARG	H	H	8.314	0.017
1161	1	139	ARG	HA	H	4.3	0.011
1162	1	139	ARG	HB2	H	1.791	0.014
1163	1	139	ARG	C	C	176.187	0
1164	1	139	ARG	CA	C	56.154	0.075
1165	1	139	ARG	CB	C	30.797	0.06
1166	1	139	ARG	N	N	122.756	0.123
1167	1	140	CYS	H	H	8.325	0.005
1168	1	140	CYS	C	C	174.536	0
1169	1	140	CYS	CA	C	58.303	0.021
1170	1	140	CYS	N	N	117.136	0.076
1171	1	141	SER	H	H	8.265	0.009
1172	1	141	SER	C	C	174.434	0
1173	1	141	SER	CA	C	58.428	0.064
1174	1	141	SER	CB	C	63.815	0.05
1175	1	141	SER	N	N	117.910	0.041
1176	1	142	LEU	H	H	8.109	0.006
1177	1	142	LEU	HB2	H	1.581	0.007
1178	1	142	LEU	HD11	H	0.85	0.007
1179	1	142	LEU	HD12	H	0.85	0.007
1180	1	142	LEU	HD13	H	0.85	0.007
1181	1	142	LEU	C	C	177.002	0
1182	1	142	LEU	CA	C	55.42	0.035
1183	1	142	LEU	CB	C	42.347	0.048
1184	1	142	LEU	N	N	123.566	0.05
1185	1	143	ALA	H	H	8.057	0.018
1186	1	143	ALA	HA	H	4.283	0.005
1187	1	143	ALA	HB1	H	1.351	0.004
1188	1	143	ALA	HB2	H	1.351	0.004
1189	1	143	ALA	HB3	H	1.351	0.004
1190	1	143	ALA	C	C	177.702	0
1191	1	143	ALA	CA	C	52.775	0.082
1192	1	143	ALA	CB	C	19.231	0.121
1193	1	143	ALA	N	N	123.863	0.157
1194	1	144	SER	H	H	8.013	0.009
1195	1	144	SER	HA	H	4.364	0.025
1196	1	144	SER	HB2	H	3.877	0.003
1197	1	144	SER	C	C	174.741	0
1198	1	144	SER	CA	C	58.519	0.027
1199	1	144	SER	CB	C	63.703	0.013
1200	1	144	SER	N	N	114.442	0.13
1201	1	145	VAL	H	H	7.914	0.009
1202	1	145	VAL	HA	H	4.09	0.008
1203	1	145	VAL	HB	H	2.042	0.008
1204	1	145	VAL	HG11	H	0.877	0.007
1205	1	145	VAL	HG12	H	0.877	0.007
1206	1	145	VAL	HG13	H	0.877	0.007
1207	1	145	VAL	C	C	176.083	0
1208	1	145	VAL	CA	C	62.447	0.21
1209	1	145	VAL	CB	C	32.709	0.107
1210	1	145	VAL	N	N	120.821	0.168
1211	1	146	GLU	H	H	8.271	0.008
1212	1	146	GLU	HA	H	4.252	0.008
1213	1	146	GLU	HB2	H	2.016	0.024
1214	1	146	GLU	HG2	H	2.239	0.003
1215	1	146	GLU	C	C	176.504	0
1216	1	146	GLU	CA	C	56.672	0.079
1217	1	146	GLU	CB	C	29.723	0.012
1218	1	146	GLU	CG	C	35.831	0.171
1219	1	146	GLU	N	N	123.367	0.092
1220	1	147	MET	H	H	8.204	0.008
1221	1	147	MET	HA	H	4.237	0.006
1222	1	147	MET	HB2	H	2.019	0.012
1223	1	147	MET	C	C	176.284	0
1224	1	147	MET	CA	C	55.898	0.077
1225	1	147	MET	CB	C	32.748	0.046
1226	1	147	MET	N	N	120.879	0.165
1227	1	148	SER	H	H	8.101	0.004
1228	1	148	SER	HA	H	4.522	0.019
1229	1	148	SER	HB2	H	3.864	0.011
1230	1	148	SER	C	C	174.134	0
1231	1	148	SER	CA	C	58.711	0.009
1232	1	148	SER	CB	C	63.752	0.008
1233	1	148	SER	N	N	115.991	0.133
1234	1	149	ALA	H	H	8.095	0.005
1235	1	149	ALA	HA	H	4.384	0.007
1236	1	149	ALA	HB1	H	1.359	0.02
1237	1	149	ALA	HB2	H	1.359	0.02
1238	1	149	ALA	HB3	H	1.359	0.02
1239	1	149	ALA	C	C	177.323	0
1240	1	149	ALA	CA	C	52.583	0.039
1241	1	149	ALA	CB	C	19.271	0.027
1242	1	149	ALA	N	N	125.335	0.124
1243	1	150	VAL	H	H	7.767	0.009
1244	1	150	VAL	HA	H	4.049	0.004
1245	1	150	VAL	HG11	H	0.838	0.019
1246	1	150	VAL	HG12	H	0.838	0.019
1247	1	150	VAL	HG13	H	0.838	0.019
1248	1	150	VAL	C	C	175.235	0
1249	1	150	VAL	CA	C	61.836	0.054
1250	1	150	VAL	CB	C	32.636	0.119
1251	1	150	VAL	N	N	117.558	0.153
1252	1	151	ALA	H	H	8.037	0.013
1253	1	151	ALA	HA	H	4.546	0.014
1254	1	151	ALA	HB1	H	1.296	0.005
1255	1	151	ALA	HB2	H	1.296	0.005
1256	1	151	ALA	HB3	H	1.296	0.005
1257	1	151	ALA	CA	C	50.19	0.181
1258	1	151	ALA	CB	C	18.426	0.216
1259	1	151	ALA	N	N	128.202	0.199
1260	1	152	PRO	HA	H	4.643	0.003
1261	1	152	PRO	HB2	H	2.292	0.017
1262	1	152	PRO	HB3	H	1.979	0.011
1263	1	152	PRO	HG2	H	2.094	0.007
1264	1	152	PRO	HG3	H	1.933	0.01
1265	1	152	PRO	HD2	H	3.781	0.009
1266	1	152	PRO	HD3	H	3.581	0.01
1267	1	152	PRO	CA	C	61.327	0.113
1268	1	152	PRO	CD	C	50.143	0.136
1269	1	153	PRO	HA	H	4.643	0.003
1270	1	153	PRO	CA	C	61.327	0.113
1271	1	154	PRO	C	C	176.799	0
1272	1	154	PRO	CA	C	63.141	0.004
1273	1	154	PRO	CB	C	31.801	0
1274	1	155	ALA	H	H	8.208	0.007
1275	1	155	ALA	HA	H	4.318	0
1276	1	155	ALA	HB1	H	1.366	0
1277	1	155	ALA	HB2	H	1.366	0
1278	1	155	ALA	HB3	H	1.366	0
1279	1	155	ALA	C	C	177.446	0
1280	1	155	ALA	CA	C	52.545	0.072
1281	1	155	ALA	CB	C	19.036	0
1282	1	155	ALA	N	N	123.401	0.113
1283	1	156	SER	H	H	8.102	0.029
1284	1	156	SER	HA	H	4.303	0
1285	1	156	SER	HB2	H	3.851	0
1286	1	156	SER	C	C	174.483	0
1287	1	156	SER	CA	C	58.421	0.079
1288	1	156	SER	CB	C	63.778	0
1289	1	156	SER	N	N	114.332	0.453
1290	1	157	ASN	H	H	8.262	0.008
1291	1	157	ASN	HA	H	4.477	0.015
1292	1	157	ASN	HB3	H	2.704	0.001
1293	1	157	ASN	C	C	175.741	0
1294	1	157	ASN	CA	C	53.579	0.028
1295	1	157	ASN	CB	C	38.767	0.009
1296	1	157	ASN	N	N	120.261	0.106
1297	1	158	GLY	H	H	8.286	0.003
1298	1	158	GLY	HA2	H	3.876	0.007
1299	1	158	GLY	C	C	174.062	0
1300	1	158	GLY	CA	C	45.732	0.089
1301	1	158	GLY	N	N	108.397	0.17
1302	1	159	ASN	H	H	8.097	0.006
1303	1	159	ASN	HA	H	4.583	0.026
1304	1	159	ASN	HB2	H	2.836	0.007
1305	1	159	ASN	HB3	H	2.735	0.011
1306	1	159	ASN	C	C	175.609	0
1307	1	159	ASN	CA	C	53.608	0.053
1308	1	159	ASN	CB	C	38.865	0.12
1309	1	159	ASN	N	N	118.367	0.131
1310	1	160	LEU	H	H	8.096	0.008
1311	1	160	LEU	HA	H	4.169	0.004
1312	1	160	LEU	HB2	H	1.648	0.027
1313	1	160	LEU	HD11	H	0.855	0.003
1314	1	160	LEU	HD12	H	0.855	0.003
1315	1	160	LEU	HD13	H	0.855	0.003
1316	1	160	LEU	C	C	177.089	0
1317	1	160	LEU	CA	C	56.41	0.098
1318	1	160	LEU	CB	C	42.291	0.077
1319	1	160	LEU	N	N	121.830	0.095
1320	1	161	LEU	H	H	7.897	0.009
1321	1	161	LEU	HA	H	4.109	0.011
1322	1	161	LEU	HB2	H	1.523	0.018
1323	1	161	LEU	HG	H	1.696	0.006
1324	1	161	LEU	HD11	H	0.813	0.027
1325	1	161	LEU	HD12	H	0.813	0.027
1326	1	161	LEU	HD13	H	0.813	0.027
1327	1	161	LEU	C	C	176.708	0
1328	1	161	LEU	CA	C	55.916	0.115
1329	1	161	LEU	CB	C	42.321	0.182
1330	1	161	LEU	CG	C	27.53	0.11
1331	1	161	LEU	CD1	C	23.502	0.153
1332	1	161	LEU	N	N	118.831	0.192
1333	1	162	TYR	H	H	7.640	0.019
1334	1	162	TYR	HA	H	4.416	0.023
1335	1	162	TYR	HB2	H	2.973	0.008
1336	1	162	TYR	HB3	H	2.731	0.008
1337	1	162	TYR	HD1	H	7	0.03
1338	1	162	TYR	HE1	H	6.73	0.002
1339	1	162	TYR	C	C	175.931	0
1340	1	162	TYR	CA	C	58.588	0.042
1341	1	162	TYR	CB	C	38.301	0.002
1342	1	162	TYR	CD1	C	132.624	0.177
1343	1	162	TYR	N	N	117.385	0.135
1344	1	163	ILE	H	H	7.711	0.024
1345	1	163	ILE	HA	H	3.77	0.01
1346	1	163	ILE	HB	H	1.833	0.021
1347	1	163	ILE	HG13	H	0.925	0.023
1348	1	163	ILE	HG21	H	0.563	0.003
1349	1	163	ILE	HG22	H	0.563	0.003
1350	1	163	ILE	HG23	H	0.563	0.003
1351	1	163	ILE	HD11	H	0.734	0.013
1352	1	163	ILE	HD12	H	0.734	0.013
1353	1	163	ILE	HD13	H	0.734	0.013
1354	1	163	ILE	C	C	176.043	0
1355	1	163	ILE	CA	C	61.894	0.033
1356	1	163	ILE	CB	C	38.577	0.111
1357	1	163	ILE	CG2	C	17.107	0.181
1358	1	163	ILE	N	N	119.281	0.14
1359	1	164	GLY	H	H	7.841	0.015
1360	1	164	GLY	HA2	H	3.771	0.01
1361	1	164	GLY	C	C	173.661	0
1362	1	164	GLY	CA	C	45.624	0.055
1363	1	164	GLY	N	N	108.962	0.131
1364	1	165	PHE	H	H	7.897	0.004
1365	1	165	PHE	HA	H	4.544	0.02
1366	1	165	PHE	HB2	H	3.056	0.005
1367	1	165	PHE	C	C	176.325	0
1368	1	165	PHE	CA	C	58.019	0.013
1369	1	165	PHE	CB	C	39.423	0.238
1370	1	165	PHE	N	N	118.831	0.053
1371	1	166	ARG	H	H	8.168	0.022
1372	1	166	ARG	HA	H	4.241	0.018
1373	1	166	ARG	HB2	H	1.794	0.003
1374	1	166	ARG	C	C	176.724	0
1375	1	166	ARG	CA	C	56.83	0.123
1376	1	166	ARG	CB	C	30.562	0.015
1377	1	166	ARG	N	N	121.683	0.147
1378	1	167	GLY	H	H	8.005	0.009
1379	1	167	GLY	HA2	H	3.834	0.026
1380	1	167	GLY	C	C	174.381	0
1381	1	167	GLY	CA	C	45.72	0.219
1382	1	167	GLY	N	N	108.384	0.09
1383	1	168	LEU	H	H	7.967	0.015
1384	1	168	LEU	HA	H	4.265	0.022
1385	1	168	LEU	HB2	H	1.625	0.004
1386	1	168	LEU	HD11	H	0.837	0.015
1387	1	168	LEU	HD12	H	0.837	0.015
1388	1	168	LEU	HD13	H	0.837	0.015
1389	1	168	LEU	C	C	176.524	0
1390	1	168	LEU	CA	C	55.442	0.123
1391	1	168	LEU	CB	C	42.267	0.116
1392	1	168	LEU	N	N	120.538	0.109
1393	1	169	ASP	H	H	8.097	0.004
1394	1	169	ASP	HA	H	4.502	0.004
1395	1	169	ASP	HB2	H	2.715	0.013
1396	1	169	ASP	C	C	176.533	0
1397	1	169	ASP	CA	C	54.452	0.025
1398	1	169	ASP	CB	C	41.243	0.085
1399	1	169	ASP	N	N	118.367	0.183
1400	1	170	GLY	H	H	8.088	0.005
1401	1	170	GLY	HA2	H	3.886	0.01
1402	1	170	GLY	C	C	174.098	0
1403	1	170	GLY	CA	C	45.492	0.031
1404	1	170	GLY	N	N	107.966	0.093
1405	1	171	VAL	H	H	7.794	0.005
1406	1	171	VAL	HA	H	3.948	0.021
1407	1	171	VAL	HB	H	2.018	0.019
1408	1	171	VAL	HG11	H	0.867	0.018
1409	1	171	VAL	HG12	H	0.867	0.018
1410	1	171	VAL	HG13	H	0.867	0.018
1411	1	171	VAL	C	C	175.884	0
1412	1	171	VAL	CA	C	62.98	0.37
1413	1	171	VAL	CB	C	32.753	0.076
1414	1	171	VAL	CG2	C	20.863	0.203
1415	1	171	VAL	N	N	118.796	0.133
1416	1	172	HIS	H	H	8.542	0.012
1417	1	172	HIS	HA	H	4.543	0
1418	1	172	HIS	C	C	174.235	0
1419	1	172	HIS	CA	C	55.219	0.06
1420	1	172	HIS	N	N	121.419	0.175
1421	1	173	CYS	H	H	8.132	0.005
1422	1	173	CYS	HA	H	4.555	0
1423	1	173	CYS	C	C	173.586	0
1424	1	173	CYS	CA	C	58.297	0.026
1425	1	173	CYS	N	N	116.879	0.095
1426	1	174	VAL	H	H	7.991	0.058
1427	1	174	VAL	HA	H	4.169	0.01
1428	1	174	VAL	HG11	H	0.841	0.012
1429	1	174	VAL	HG12	H	0.841	0.012
1430	1	174	VAL	HG13	H	0.841	0.012
1431	1	174	VAL	CA	C	59.655	0
1432	1	174	VAL	N	N	121.738	0.387
1433	1	175	PRO	HB3	H	1.951	0.011
1434	1	175	PRO	C	C	176.434	0
1435	1	175	PRO	CA	C	63.152	0.122
1436	1	175	PRO	CB	C	31.886	0.081
1437	1	176	THR	H	H	8.061	0.006
1438	1	176	THR	HA	H	4.459	0.009
1439	1	176	THR	HB	H	4.243	0.014
1440	1	176	THR	HG21	H	1.241	0.017
1441	1	176	THR	HG22	H	1.241	0.017
1442	1	176	THR	HG23	H	1.241	0.017
1443	1	176	THR	CA	C	59.661	0.002
1444	1	176	THR	CB	C	69.452	0.111
1445	1	176	THR	N	N	115.787	0.113
1446	1	177	PRO	HA	H	4.391	0.023
1447	1	177	PRO	HB2	H	2.214	0.011
1448	1	177	PRO	HB3	H	1.913	0.004
1449	1	177	PRO	HG2	H	2.249	0.001
1450	1	177	PRO	C	C	176.543	0
1451	1	177	PRO	CA	C	63.584	0.071
1452	1	177	PRO	CB	C	31.936	0.083
1453	1	178	ASP	H	H	8.241	0.006
1454	1	178	ASP	HA	H	4.528	0.025
1455	1	178	ASP	HB2	H	2.633	0.009
1456	1	178	ASP	C	C	176.284	0
1457	1	178	ASP	CA	C	54.311	0.032
1458	1	178	ASP	CB	C	40.89	0.098
1459	1	178	ASP	N	N	119.782	0.139
1460	1	179	SER	H	H	8.101	0.005
1461	1	179	SER	HA	H	4.38	0.009
1462	1	179	SER	HB2	H	3.864	0.019
1463	1	179	SER	C	C	175.133	0
1464	1	179	SER	CA	C	58.906	0.094
1465	1	179	SER	CB	C	63.851	0.017
1466	1	179	SER	N	N	115.991	0.062
1467	1	180	GLY	H	H	8.356	0.006
1468	1	180	GLY	HA2	H	3.927	0.015
1469	1	180	GLY	HA3	H	3.924	0.007
1470	1	180	GLY	C	C	174.112	0
1471	1	180	GLY	CA	C	45.542	0.119
1472	1	180	GLY	N	N	110.481	0.043
1473	1	181	VAL	H	H	7.774	0.004
1474	1	181	VAL	HA	H	4.162	0.01
1475	1	181	VAL	HB	H	2.003	0.015
1476	1	181	VAL	HG11	H	0.867	0.011
1477	1	181	VAL	HG12	H	0.867	0.011
1478	1	181	VAL	HG13	H	0.867	0.011
1479	1	181	VAL	C	C	176.271	0
1480	1	181	VAL	CA	C	62.643	0.055
1481	1	181	VAL	CB	C	32.543	0.122
1482	1	181	VAL	N	N	119.176	0.081
1483	1	182	VAL	H	H	8.024	0.013
1484	1	182	VAL	HA	H	4.128	0.006
1485	1	182	VAL	HB	H	2.018	0.001
1486	1	182	VAL	HG11	H	0.885	0.013
1487	1	182	VAL	HG12	H	0.885	0.013
1488	1	182	VAL	HG13	H	0.885	0.013
1489	1	182	VAL	C	C	176.084	0
1490	1	182	VAL	CA	C	62.453	0.041
1491	1	182	VAL	CB	C	32.49	0.065
1492	1	182	VAL	N	N	122.579	0.099
1493	1	183	CYS	H	H	8.248	0.005
1494	1	183	CYS	HA	H	4.479	0.021
1495	1	183	CYS	C	C	174.996	0
1496	1	183	CYS	CA	C	58.507	0.013
1497	1	183	CYS	N	N	121.355	0.112
1498	1	184	GLY	H	H	8.255	0.004
1499	1	184	GLY	HA2	H	3.915	0.006
1500	1	184	GLY	C	C	174.071	0
1501	1	184	GLY	CA	C	45.246	0.185
1502	1	184	GLY	N	N	110.488	0.11
1503	1	185	ARG	H	H	8.008	0.008
1504	1	185	ARG	HA	H	4.254	0.018
1505	1	185	ARG	HB2	H	1.744	0.021
1506	1	185	ARG	C	C	176.325	0.009
1507	1	185	ARG	CA	C	56.215	0.088
1508	1	185	ARG	CB	C	30.687	0.041
1509	1	185	ARG	N	N	120.252	0.096
1510	1	186	MET	H	H	8.239	0.005
1511	1	186	MET	HA	H	4.282	0.012
1512	1	186	MET	HB2	H	1.954	0.009
1513	1	186	MET	C	C	175.818	0
1514	1	186	MET	CA	C	55.576	0.022
1515	1	186	MET	CB	C	32.889	0.057
1516	1	186	MET	N	N	121.176	0.133
1517	1	187	ALA	H	H	8.158	0.008
1518	1	187	ALA	HA	H	4.327	0.042
1519	1	187	ALA	HB1	H	1.359	0.009
1520	1	187	ALA	HB2	H	1.359	0.009
1521	1	187	ALA	HB3	H	1.359	0.009
1522	1	187	ALA	C	C	177.485	0
1523	1	187	ALA	CA	C	52.507	0.052
1524	1	187	ALA	CB	C	19.304	0.047
1525	1	187	ALA	N	N	125.057	0.12
1526	1	188	CYS	H	H	8.107	0.006
1527	1	188	CYS	HA	H	4.534	0
1528	1	188	CYS	C	C	174.126	0
1529	1	188	CYS	CA	C	58.071	0.041
1530	1	188	CYS	N	N	117.354	0.148
1531	1	189	SER	H	H	8.133	0.013
1532	1	189	SER	HA	H	4.745	0.022
1533	1	189	SER	HB2	H	3.796	0.024
1534	1	189	SER	CA	C	56.353	0.082
1535	1	189	SER	CB	C	63.69	0
1536	1	189	SER	N	N	118.313	0.125
1537	1	190	PRO	HB3	H	1.95	0.01
1538	1	190	PRO	C	C	177.098	0
1539	1	190	PRO	CA	C	63.539	0.019
1540	1	190	PRO	CB	C	31.935	0.12
1541	1	191	THR	H	H	7.984	0.006
1542	1	191	THR	HA	H	4.524	0.019
1543	1	191	THR	HB	H	4.15	0.001
1544	1	191	THR	HG21	H	1.129	0.01
1545	1	191	THR	HG22	H	1.129	0.01
1546	1	191	THR	HG23	H	1.129	0.01
1547	1	191	THR	C	C	174.461	0
1548	1	191	THR	CA	C	61.832	0.068
1549	1	191	THR	CB	C	69.636	0.115
1550	1	191	THR	N	N	112.994	0.121
1551	1	192	HIS	H	H	8.262	0.005
1552	1	192	HIS	HA	H	4.537	0
1553	1	192	HIS	C	C	173.887	0
1554	1	192	HIS	CA	C	55.476	0.023
1555	1	192	HIS	CB	C	29.056	0.022
1556	1	192	HIS	N	N	120.261	0.1
1557	1	193	ASP	H	H	8.211	0.012
1558	1	193	ASP	HA	H	4.559	0.007
1559	1	193	ASP	HB2	H	2.575	0.014
1560	1	193	ASP	C	C	176.236	0
1561	1	193	ASP	CA	C	54.302	0.054
1562	1	193	ASP	CB	C	41.168	0.176
1563	1	193	ASP	N	N	121.535	0.107
1564	1	194	GLU	H	H	8.490	0.003
1565	1	194	GLU	HA	H	4.183	0.018
1566	1	194	GLU	HB2	H	1.876	0.025
1567	1	194	GLU	HG2	H	2.205	0.02
1568	1	194	GLU	C	C	176.738	0
1569	1	194	GLU	CA	C	57.101	0.036
1570	1	194	GLU	CB	C	29.649	0.211
1571	1	194	GLU	CG	C	35.856	0.015
1572	1	194	GLU	N	N	122.411	0.127
1573	1	195	HIS	H	H	8.466	0.01
1574	1	195	HIS	HA	H	4.543	0.005
1575	1	195	HIS	HB2	H	3.163	0
1576	1	195	HIS	C	C	174.741	0
1577	1	195	HIS	CA	C	56.188	0.021
1578	1	195	HIS	CB	C	28.295	0.048
1579	1	195	HIS	N	N	118.371	0.122
1580	1	196	LEU	H	H	7.923	0.008
1581	1	196	LEU	HA	H	4.22	0.018
1582	1	196	LEU	HB2	H	1.538	0.017
1583	1	196	LEU	HD11	H	0.833	0.024
1584	1	196	LEU	HD12	H	0.833	0.024
1585	1	196	LEU	HD13	H	0.833	0.024
1586	1	196	LEU	C	C	177.172	0
1587	1	196	LEU	CA	C	55.548	0.095
1588	1	196	LEU	CB	C	42.153	0.063
1589	1	196	LEU	N	N	121.371	0.166
1590	1	197	LEU	H	H	7.947	0.012
1591	1	197	LEU	HA	H	4.234	0.02
1592	1	197	LEU	HB2	H	1.484	0.02
1593	1	197	LEU	HD11	H	0.821	0.008
1594	1	197	LEU	HD12	H	0.821	0.008
1595	1	197	LEU	HD13	H	0.821	0.008
1596	1	197	LEU	C	C	177.183	0
1597	1	197	LEU	CA	C	55.412	0.08
1598	1	197	LEU	CB	C	42.198	0.038
1599	1	197	LEU	CD1	C	24.687	0.047
1600	1	197	LEU	N	N	121.086	0.127
1601	1	198	HIS	H	H	8.265	0.011
1602	1	198	HIS	HA	H	4.549	0.014
1603	1	198	HIS	HB2	H	3.228	0.034
1604	1	198	HIS	C	C	174.908	0
1605	1	198	HIS	CA	C	55.213	0.036
1606	1	198	HIS	CB	C	28.949	0.161
1607	1	198	HIS	N	N	117.910	0.133
1608	1	199	GLY	H	H	8.152	0.007
1609	1	199	GLY	HA2	H	3.964	0.028
1610	1	199	GLY	C	C	174.435	0
1611	1	199	GLY	CA	C	45.372	0.029
1612	1	199	GLY	N	N	109.691	0.118
1613	1	200	GLY	H	H	8.15	0.005
1614	1	200	GLY	HA2	H	3.888	0.02
1615	1	200	GLY	C	C	173.626	0
1616	1	200	GLY	CA	C	45.023	0.075
1617	1	200	GLY	N	N	108.411	0.105
1618	1	201	GLN	H	H	8.071	0.006
1619	1	201	GLN	HA	H	4.253	0.01
1620	1	201	GLN	HB2	H	1.944	0.011
1621	1	201	GLN	HG2	H	2.269	0.022
1622	1	201	GLN	CA	C	53.579	0.031
1623	1	201	GLN	CB	C	28.907	0.015
1624	1	201	GLN	CG	C	31.95	0.074
1625	1	201	GLN	N	N	120.496	0.087
1626	1	203	PRO	HA	H	4.401	0.024
1627	1	203	PRO	HD2	H	3.796	0.01
1628	1	203	PRO	C	C	176.911	0
1629	1	203	PRO	CA	C	63.434	0.145
1630	1	203	PRO	CB	C	31.74	0
1631	1	203	PRO	CD	C	50.491	0.113
1632	1	204	GLU	H	H	8.466	0.004
1633	1	204	GLU	HA	H	4.292	0.088
1634	1	204	GLU	HB2	H	1.975	0.03
1635	1	204	GLU	HG2	H	2.24	0.003
1636	1	204	GLU	C	C	176.565	0
1637	1	204	GLU	CA	C	56.634	0.048
1638	1	204	GLU	CB	C	28.322	1.16
1639	1	204	GLU	CG	C	35.942	0.068
1640	1	204	GLU	N	N	119.863	0.125
1641	1	205	GLY	H	H	8.167	0.008
1642	1	205	GLY	HA2	H	3.923	0.011
1643	1	205	GLY	C	C	173.626	0
1644	1	205	GLY	CA	C	45.056	0.078
1645	1	205	GLY	N	N	109.048	0.098
1646	1	206	ASP	H	H	8.071	0.005
1647	1	206	ASP	HA	H	4.555	0.004
1648	1	206	ASP	HB2	H	2.649	0.006
1649	1	206	ASP	CA	C	52.201	0
1650	1	206	ASP	CB	C	41.139	0.081
1651	1	206	ASP	N	N	120.496	0.136
1652	1	207	PRO	C	C	177.847	0
1653	1	207	PRO	CA	C	64.305	0
1654	1	208	ASP	H	H	8.211	0.024
1655	1	208	ASP	HA	H	4.5	0
1656	1	208	ASP	HB2	H	2.622	0.066
1657	1	208	ASP	C	C	177.928	0
1658	1	208	ASP	CA	C	56.252	0.035
1659	1	208	ASP	N	N	119.108	0.082
1660	1	209	LEU	H	H	8.121	0.007
1661	1	209	LEU	HB2	H	1.699	0.001
1662	1	209	LEU	C	C	178.208	0
1663	1	209	LEU	CA	C	57.491	0.062
1664	1	209	LEU	CB	C	42.257	0
1665	1	209	LEU	N	N	121.298	0.048
1666	1	210	ALA	H	H	8.008	0.017
1667	1	210	ALA	HB1	H	1.251	0.012
1668	1	210	ALA	HB2	H	1.251	0.012
1669	1	210	ALA	HB3	H	1.251	0.012
1670	1	210	ALA	CA	C	55.606	0
1671	1	210	ALA	N	N	120.252	0.096
1672	1	211	LYS	C	C	179.174	0
1673	1	211	LYS	CA	C	58.858	0
1674	1	212	ILE	H	H	7.737	0.011
1675	1	212	ILE	HA	H	3.877	0.014
1676	1	212	ILE	C	C	177.75	0
1677	1	212	ILE	CA	C	64.837	0.014
1678	1	212	ILE	N	N	119.499	0.123
1679	1	213	LEU	H	H	8.211	0.004
1680	1	213	LEU	HA	H	3.927	0.012
1681	1	213	LEU	C	C	179.115	0
1682	1	213	LEU	CA	C	58.216	0.006
1683	1	213	LEU	N	N	119.108	0.177
1684	1	214	GLU	H	H	7.882	0.007
1685	1	214	GLU	HA	H	3.952	0
1686	1	214	GLU	HB2	H	2.068	0.014
1687	1	214	GLU	C	C	179.044	0
1688	1	214	GLU	CA	C	59.308	0.141
1689	1	214	GLU	N	N	119.148	0.181
1690	1	215	GLU	H	H	7.882	0.005
1691	1	215	GLU	HA	H	3.895	0
1692	1	215	GLU	HB2	H	2.085	0.007
1693	1	215	GLU	HG2	H	2.355	0.012
1694	1	215	GLU	C	C	178.634	0
1695	1	215	GLU	CA	C	59.238	0.04
1696	1	215	GLU	N	N	119.787	0.095
1697	1	216	VAL	H	H	8.265	0.014
1698	1	216	VAL	HB	H	2.238	0
1699	1	216	VAL	HG11	H	0.855	0.006
1700	1	216	VAL	HG12	H	0.855	0.006
1701	1	216	VAL	HG13	H	0.855	0.006
1702	1	216	VAL	C	C	177.156	0
1703	1	216	VAL	CA	C	66.643	0.03
1704	1	216	VAL	N	N	117.910	0.145
1705	1	217	ARG	H	H	8.113	0.012
1706	1	217	ARG	HA	H	3.904	0
1707	1	217	ARG	HB2	H	1.937	0
1708	1	217	ARG	C	C	177.808	0
1709	1	217	ARG	CA	C	59.977	0.003
1710	1	217	ARG	N	N	120.067	0.121
1711	1	218	TYR	H	H	7.897	0.008
1712	1	218	TYR	HA	H	4.156	0
1713	1	218	TYR	HB2	H	2.942	0.006
1714	1	218	TYR	C	C	178.066	0
1715	1	218	TYR	CA	C	61.351	0.076
1716	1	218	TYR	N	N	118.831	0.113
1717	1	219	ILE	H	H	8.023	0.007
1718	1	219	ILE	HA	H	3.822	0.099
1719	1	219	ILE	HB	H	1.935	0
1720	1	219	ILE	C	C	177.471	0
1721	1	219	ILE	CA	C	64.184	0.007
1722	1	219	ILE	N	N	118.735	0.125
1723	1	220	ALA	H	H	8.474	0.018
1724	1	220	ALA	HA	H	3.916	0.006
1725	1	220	ALA	HB1	H	1.403	0.038
1726	1	220	ALA	HB2	H	1.403	0.038
1727	1	220	ALA	HB3	H	1.403	0.038
1728	1	220	ALA	C	C	179.126	0
1729	1	220	ALA	CA	C	55.306	0.165
1730	1	220	ALA	CB	C	17.682	0
1731	1	220	ALA	N	N	121.132	0.148
1732	1	221	ASN	H	H	7.942	0.01
1733	1	221	ASN	HA	H	4.482	0.011
1734	1	221	ASN	HB3	H	2.748	0
1735	1	221	ASN	CA	C	54.951	0.006
1736	1	221	ASN	N	N	114.592	0.142
1737	1	222	ARG	H	H	7.794	0.006
1738	1	222	ARG	CA	C	56.7	0.014
1739	1	222	ARG	N	N	118.796	0.048
1740	1	223	PHE	H	H	7.701	0.015
1741	1	223	PHE	HA	H	4.303	0.011
1742	1	223	PHE	C	C	178.976	0
1743	1	223	PHE	CA	C	58.376	0
1744	1	223	PHE	N	N	118.135	0.149
1745	1	224	ARG	H	H	8.314	0.014
1746	1	224	ARG	HA	H	3.993	0.016
1747	1	224	ARG	CA	C	57.861	0
1748	1	224	ARG	N	N	122.756	0.094
1749	1	226	GLN	C	C	175.937	0
1750	1	226	GLN	CA	C	56.93	0
1751	1	227	ASP	H	H	8.113	0.011
1752	1	227	ASP	HA	H	4.262	0.001
1753	1	227	ASP	HB2	H	2.627	0.01
1754	1	227	ASP	C	C	176.598	0
1755	1	227	ASP	CA	C	54.904	0.101
1756	1	227	ASP	N	N	120.067	0.129
1757	1	228	GLU	H	H	8.204	0.008
1758	1	228	GLU	HA	H	3.947	0
1759	1	228	GLU	HB2	H	2.03	0.016
1760	1	228	GLU	C	C	176.781	0
1761	1	228	GLU	CA	C	57.348	0.01
1762	1	228	GLU	N	N	120.879	0.159
1763	1	229	SER	H	H	8.161	0.007
1764	1	229	SER	HA	H	4.253	0.005
1765	1	229	SER	HB2	H	3.867	0.001
1766	1	229	SER	C	C	175.499	0
1767	1	229	SER	CA	C	59.884	0.071
1768	1	229	SER	N	N	115.507	0.15
1769	1	230	GLU	H	H	8.232	0.01
1770	1	230	GLU	HA	H	4.105	0.152
1771	1	230	GLU	HB2	H	2.028	0.009
1772	1	230	GLU	HG2	H	2.261	0.031
1773	1	230	GLU	C	C	177.161	0
1774	1	230	GLU	CA	C	57.769	0.071
1775	1	230	GLU	CB	C	30.135	0.069
1776	1	230	GLU	N	N	122.120	0.046
1777	1	231	ALA	H	H	8.027	0.017
1778	1	231	ALA	HA	H	4.204	0.018
1779	1	231	ALA	HB1	H	1.374	0.019
1780	1	231	ALA	HB2	H	1.374	0.019
1781	1	231	ALA	HB3	H	1.374	0.019
1782	1	231	ALA	C	C	178.532	0
1783	1	231	ALA	CA	C	53.511	0.198
1784	1	231	ALA	CB	C	18.994	0.051
1785	1	231	ALA	N	N	123.058	0.155
1786	1	232	VAL	H	H	7.789	0.011
1787	1	232	VAL	HA	H	4.001	0.017
1788	1	232	VAL	HB	H	2.173	0.019
1789	1	232	VAL	HG11	H	0.952	0.011
1790	1	232	VAL	HG12	H	0.952	0.011
1791	1	232	VAL	HG13	H	0.952	0.011
1792	1	232	VAL	CA	C	63.469	0.187
1793	1	232	VAL	N	N	116.247	0.113
1794	1	234	SER	HA	H	4.288	0
1795	1	234	SER	HB2	H	3.877	0
1796	1	234	SER	C	C	175.009	0
1797	1	234	SER	CA	C	59.217	0
1798	1	235	GLU	H	H	8.366	0.012
1799	1	235	GLU	HB2	H	1.97	0.013
1800	1	235	GLU	HG2	H	2.222	0.008
1801	1	235	GLU	CA	C	56.842	0.133
1802	1	235	GLU	CG	C	36.002	0.121
1803	1	235	GLU	N	N	121.564	0.108
1804	1	236	TRP	HA	H	4.388	0.018
1805	1	236	TRP	HE1	H	10.430	0.008
1806	1	236	TRP	CA	C	58.455	0.203
1807	1	236	TRP	NE1	N	129.942	0.127
1808	1	237	LYS	H	H	7.741	0.005
1809	1	237	LYS	CA	C	56.405	0
1810	1	237	LYS	N	N	120.034	0.168
1811	1	238	PHE	CA	C	58.372	0
1812	1	239	ALA	H	H	7.749	0.001
1813	1	239	ALA	HB1	H	1.365	0.012
1814	1	239	ALA	HB2	H	1.365	0.012
1815	1	239	ALA	HB3	H	1.365	0.012
1816	1	239	ALA	CA	C	52.577	0.155
1817	1	239	ALA	CB	C	19.331	0.123
1818	1	239	ALA	N	N	118.418	0.082
1819	1	240	ALA	HB1	H	1.381	0.017
1820	1	240	ALA	HB2	H	1.381	0.017
1821	1	240	ALA	HB3	H	1.381	0.017
1822	1	240	ALA	CB	C	19.305	0.065
1823	1	241	CYS	C	C	174.878	0
1824	1	241	CYS	CA	C	58.337	0
1825	1	242	VAL	H	H	7.686	0.003
1826	1	242	VAL	HA	H	3.733	0.017
1827	1	242	VAL	HB	H	2.14	0.012
1828	1	242	VAL	HG11	H	1.022	0.002
1829	1	242	VAL	HG12	H	1.022	0.002
1830	1	242	VAL	HG13	H	1.022	0.002
1831	1	242	VAL	CA	C	62.175	0.117
1832	1	242	VAL	CG1	C	22.2	0.003
1833	1	242	VAL	N	N	118.604	0.095
1834	1	244	ASP	H	H	8.234	0.018
1835	1	244	ASP	HA	H	4.317	0.012
1836	1	244	ASP	HB2	H	2.598	0.014
1837	1	244	ASP	C	C	176.972	0.01
1838	1	244	ASP	CA	C	57.157	0.05
1839	1	244	ASP	CB	C	39.868	0.01
1840	1	244	ASP	N	N	121.592	0.093
1841	1	245	ARG	H	H	7.866	0.015
1842	1	245	ARG	HA	H	4.014	0.016
1843	1	245	ARG	HB2	H	2.091	0.015
1844	1	245	ARG	HG3	H	1.604	0.01
1845	1	245	ARG	HD2	H	3.167	0.015
1846	1	245	ARG	C	C	176.625	0.01
1847	1	245	ARG	CA	C	59.739	0.037
1848	1	245	ARG	CB	C	30.115	0.01
1849	1	245	ARG	CG	C	27.19	0.106
1850	1	245	ARG	CD	C	43.504	0.016
1851	1	245	ARG	N	N	118.505	0.422
1852	1	246	LEU	H	H	7.789	0.013
1853	1	246	LEU	HA	H	3.941	0.015
1854	1	246	LEU	HB2	H	1.773	0.011
1855	1	246	LEU	HD11	H	0.898	0.012
1856	1	246	LEU	HD12	H	0.898	0.012
1857	1	246	LEU	HD13	H	0.898	0.012
1858	1	246	LEU	CA	C	58.442	0.043
1859	1	246	LEU	CB	C	41.974	0.01
1860	1	246	LEU	CD1	C	25.177	0.158
1861	1	246	LEU	N	N	116.247	0.077
1862	1	247	CYS	H	H	8.405	0.015
1863	1	247	CYS	HA	H	4.047	0.013
1864	1	247	CYS	HB2	H	3.175	0.011
1865	1	247	CYS	HB3	H	2.614	0.01
1866	1	247	CYS	C	C	177.817	0.01
1867	1	247	CYS	CA	C	64.614	0.03
1868	1	247	CYS	CB	C	27.053	0.108
1869	1	247	CYS	N	N	116.886	0.107
1870	1	248	LEU	H	H	8.165	0.011
1871	1	248	LEU	HA	H	4.059	0.015
1872	1	248	LEU	HB2	H	1.716	0.011
1873	1	248	LEU	HD11	H	0.881	0.01
1874	1	248	LEU	HD12	H	0.881	0.01
1875	1	248	LEU	HD13	H	0.881	0.01
1876	1	248	LEU	C	C	179.889	0.01
1877	1	248	LEU	CA	C	58.51	0.056
1878	1	248	LEU	CB	C	41.909	0.01
1879	1	248	LEU	CD1	C	25.164	0.105
1880	1	248	LEU	N	N	119.564	0.126
1881	1	249	MET	H	H	8.487	0.017
1882	1	249	MET	HA	H	4.058	0.017
1883	1	249	MET	HB2	H	1.929	0.013
1884	1	249	MET	HG2	H	2.765	0.016
1885	1	249	MET	C	C	178.998	0.01
1886	1	249	MET	CA	C	59.512	0.063
1887	1	249	MET	CB	C	31.952	0.01
1888	1	249	MET	CG	C	33.424	0.01
1889	1	249	MET	N	N	120.78	0.024
1890	1	250	ALA	H	H	8.717	0.01
1891	1	250	ALA	HA	H	3.991	0.028
1892	1	250	ALA	HB1	H	1.411	0.014
1893	1	250	ALA	HB2	H	1.411	0.014
1894	1	250	ALA	HB3	H	1.411	0.014
1895	1	250	ALA	C	C	177.967	0.01
1896	1	250	ALA	CA	C	55.595	0.094
1897	1	250	ALA	CB	C	18.239	0.09
1898	1	250	ALA	N	N	121.305	0.08
1899	1	251	PHE	H	H	8.643	0.016
1900	1	251	PHE	HA	H	4.16	0.011
1901	1	251	PHE	HB2	H	3.15	0.013
1902	1	251	PHE	HD1	H	7.226	0.012
1903	1	251	PHE	HE1	H	7.17	0.025
1904	1	251	PHE	C	C	178.156	0.01
1905	1	251	PHE	CA	C	61.427	0.011
1906	1	251	PHE	CB	C	38.386	0.01
1907	1	251	PHE	CD1	C	131.239	0.136
1908	1	251	PHE	CE1	C	130.442	0.01
1909	1	251	PHE	N	N	116.448	0.075
1910	1	252	SER	H	H	7.82	0.013
1911	1	252	SER	HA	H	4.106	0.01
1912	1	252	SER	HB2	H	3.943	0.01
1913	1	252	SER	C	C	176.592	0.01
1914	1	252	SER	CA	C	63.216	0.186
1915	1	252	SER	N	N	117.735	0.069
1916	1	253	VAL	H	H	8.211	0.015
1917	1	253	VAL	HA	H	3.589	0.022
1918	1	253	VAL	HB	H	2.228	0.017
1919	1	253	VAL	HG11	H	0.974	0.018
1920	1	253	VAL	HG12	H	0.974	0.018
1921	1	253	VAL	HG13	H	0.974	0.018
1922	1	253	VAL	HG21	H	0.875	0.01
1923	1	253	VAL	HG22	H	0.875	0.01
1924	1	253	VAL	HG23	H	0.875	0.01
1925	1	253	VAL	C	C	178.998	0.01
1926	1	253	VAL	CA	C	67.572	0.012
1927	1	253	VAL	CB	C	31.791	0.01
1928	1	253	VAL	CG1	C	23.341	0.014
1929	1	253	VAL	CG2	C	21.719	0.093
1930	1	253	VAL	N	N	119.108	0.175
1931	1	254	PHE	H	H	8.677	0.033
1932	1	254	PHE	HA	H	4.031	0.019
1933	1	254	PHE	HB2	H	3.205	0.015
1934	1	254	PHE	HD1	H	7.161	0.017
1935	1	254	PHE	HE1	H	7.127	0.01
1936	1	254	PHE	CA	C	61.672	0.054
1937	1	254	PHE	CB	C	38.397	0.01
1938	1	254	PHE	CD1	C	131.354	0.01
1939	1	254	PHE	CE1	C	130.661	0.132
1940	1	254	PHE	N	N	120.947	0.117
1941	1	255	THR	HA	H	3.727	0.01
1942	1	255	THR	HG21	H	1.116	0.014
1943	1	255	THR	HG22	H	1.116	0.014
1944	1	255	THR	HG23	H	1.116	0.014
1945	1	255	THR	C	C	176.743	0.01
1946	1	255	THR	CA	C	68.301	0.01
1947	1	255	THR	CG2	C	21.958	0.109
1948	1	256	ILE	H	H	8.021	0.017
1949	1	256	ILE	HA	H	3.587	0.011
1950	1	256	ILE	HB	H	1.874	0.017
1951	1	256	ILE	HG21	H	0.848	0.01
1952	1	256	ILE	HG22	H	0.848	0.01
1953	1	256	ILE	HG23	H	0.848	0.01
1954	1	256	ILE	C	C	176.625	0.01
1955	1	256	ILE	CA	C	65.501	0.018
1956	1	256	ILE	CB	C	37.452	0.01
1957	1	256	ILE	CG2	C	17.773	0.01
1958	1	256	ILE	N	N	118.724	0.01
1959	1	257	ILE	H	H	7.894	0.01
1960	1	257	ILE	HA	H	3.62	0.013
1961	1	257	ILE	HB	H	1.814	0.018
1962	1	257	ILE	HG13	H	1.29	0.018
1963	1	257	ILE	HG21	H	0.837	0.014
1964	1	257	ILE	HG22	H	0.837	0.014
1965	1	257	ILE	HG23	H	0.837	0.014
1966	1	257	ILE	HD11	H	0.768	0.015
1967	1	257	ILE	HD12	H	0.768	0.015
1968	1	257	ILE	HD13	H	0.768	0.015
1969	1	257	ILE	C	C	177.54	0.01
1970	1	257	ILE	CA	C	65.522	0.012
1971	1	257	ILE	CB	C	37.441	0.01
1972	1	257	ILE	CG1	C	28.257	0.01
1973	1	257	ILE	CG2	C	17.802	0.046
1974	1	257	ILE	CD1	C	13.448	0.061
1975	1	257	ILE	N	N	119.435	0.128
1976	1	258	CYS	H	H	8.206	0.016
1977	1	258	CYS	HA	H	3.885	0.018
1978	1	258	CYS	HB2	H	2.593	0.012
1979	1	258	CYS	C	C	177.425	0.01
1980	1	258	CYS	CA	C	64.121	0.075
1981	1	258	CYS	CB	C	26.94	0.01
1982	1	258	CYS	N	N	116.809	0.085
1983	1	259	THR	H	H	7.901	0.01
1984	1	259	THR	HA	H	3.71	0.01
1985	1	259	THR	HB	H	4.199	0.01
1986	1	259	THR	HG21	H	1.063	0.019
1987	1	259	THR	HG22	H	1.063	0.019
1988	1	259	THR	HG23	H	1.063	0.019
1989	1	259	THR	CA	C	68.236	0.05
1990	1	259	THR	CG2	C	21.459	0.176
1991	1	259	THR	N	N	115.712	0.139
1992	1	260	ILE	H	H	7.971	0.018
1993	1	260	ILE	HA	H	3.717	0.023
1994	1	260	ILE	HB	H	1.941	0.017
1995	1	260	ILE	HG21	H	0.87	0.016
1996	1	260	ILE	HG22	H	0.87	0.016
1997	1	260	ILE	HG23	H	0.87	0.016
1998	1	260	ILE	HD11	H	0.79	0.012
1999	1	260	ILE	HD12	H	0.79	0.012
2000	1	260	ILE	HD13	H	0.79	0.012
2001	1	260	ILE	CA	C	65.759	0.121
2002	1	260	ILE	CB	C	37.623	0.01
2003	1	260	ILE	CG2	C	17.874	0.017
2004	1	260	ILE	CD1	C	13.453	0.066
2005	1	260	ILE	N	N	118.867	0.089
2006	1	261	GLY	H	H	8.484	0.019
2007	1	261	GLY	HA2	H	3.615	0.012
2008	1	261	GLY	C	C	175.794	0.01
2009	1	261	GLY	CA	C	46.427	0.182
2010	1	261	GLY	N	N	105.982	0.128
2011	1	262	ILE	H	H	8.138	0.017
2012	1	262	ILE	HA	H	3.959	0.014
2013	1	262	ILE	HB	H	1.97	0.018
2014	1	262	ILE	HG13	H	1.226	0.01
2015	1	262	ILE	HG21	H	0.877	0.019
2016	1	262	ILE	HG22	H	0.877	0.019
2017	1	262	ILE	HG23	H	0.877	0.019
2018	1	262	ILE	HD11	H	0.81	0.014
2019	1	262	ILE	HD12	H	0.81	0.014
2020	1	262	ILE	HD13	H	0.81	0.014
2021	1	262	ILE	C	C	177.09	0.01
2022	1	262	ILE	CA	C	63.12	0.046
2023	1	262	ILE	CB	C	37.742	0.01
2024	1	262	ILE	CG2	C	17.997	0.236
2025	1	262	ILE	CD1	C	13.427	0.028
2026	1	262	ILE	N	N	120.431	0.063
2027	1	263	LEU	H	H	8.373	0.016
2028	1	263	LEU	HA	H	4.118	0.017
2029	1	263	LEU	HB2	H	1.781	0.014
2030	1	263	LEU	HD11	H	0.891	0.025
2031	1	263	LEU	HD12	H	0.891	0.025
2032	1	263	LEU	HD13	H	0.891	0.025
2033	1	263	LEU	C	C	178.269	0.01
2034	1	263	LEU	CA	C	57.521	0.045
2035	1	263	LEU	CB	C	42.13	0.01
2036	1	263	LEU	CD1	C	25.112	0.094
2037	1	263	LEU	N	N	122.601	0.142
2038	1	264	MET	H	H	8.072	0.011
2039	1	264	MET	HA	H	4.117	0.012
2040	1	264	MET	HB2	H	2.049	0.017
2041	1	264	MET	HG2	H	2.547	0.013
2042	1	264	MET	HG3	H	2.416	0.01
2043	1	264	MET	HE1	H	1.972	0.017
2044	1	264	MET	HE2	H	1.972	0.017
2045	1	264	MET	HE3	H	1.972	0.017
2046	1	264	MET	C	C	176.393	0.01
2047	1	264	MET	CA	C	57.183	0.112
2048	1	264	MET	CG	C	33.041	0.285
2049	1	264	MET	CE	C	17.395	0.01
2050	1	264	MET	N	N	117.002	0.054
2051	1	265	SER	H	H	7.537	0.017
2052	1	265	SER	HA	H	4.407	0.011
2053	1	265	SER	HB2	H	3.855	0.018
2054	1	265	SER	C	C	173.598	0.01
2055	1	265	SER	CA	C	59.453	0.065
2056	1	265	SER	CB	C	63.992	0.01
2057	1	265	SER	N	N	112.624	0.076
2058	1	266	ALA	H	H	7.813	0.016
2059	1	266	ALA	HA	H	4.471	0.01
2060	1	266	ALA	HB1	H	1.319	0.017
2061	1	266	ALA	HB2	H	1.319	0.017
2062	1	266	ALA	HB3	H	1.319	0.017
2063	1	266	ALA	CA	C	51.231	0.105
2064	1	266	ALA	CB	C	18.419	0.014
2065	1	266	ALA	N	N	124.622	0.066
2066	1	267	PRO	HA	H	4.401	0.02
2067	1	267	PRO	HB2	H	1.857	0.011
2068	1	267	PRO	HD3	H	3.686	0.014
2069	1	267	PRO	C	C	176.53	0.01
2070	1	267	PRO	CA	C	64.164	0.07
2071	1	267	PRO	CB	C	31.192	0.01
2072	1	267	PRO	CD	C	50.599	0.01
2073	1	268	ASN	H	H	8.166	0.018
2074	1	268	ASN	HA	H	4.534	0.012
2075	1	268	ASN	HB2	H	2.685	0.016
2076	1	268	ASN	HB3	H	2.753	0.012
2077	1	268	ASN	HD21	H	7.476	0.017
2078	1	268	ASN	HD22	H	6.807	0.015
2079	1	268	ASN	C	C	175.456	0.01
2080	1	268	ASN	CA	C	54.058	0.025
2081	1	268	ASN	CB	C	38.435	0.011
2082	1	268	ASN	N	N	114.617	0.047
2083	1	268	ASN	ND2	N	112.19	0.043
2084	1	269	PHE	H	H	7.962	0.017
2085	1	269	PHE	HA	H	4.538	0.019
2086	1	269	PHE	HB2	H	3.128	0.014
2087	1	269	PHE	HD1	H	7.192	0.015
2088	1	269	PHE	C	C	175.08	0.01
2089	1	269	PHE	CA	C	58.653	0.016
2090	1	269	PHE	CB	C	39.594	0.01
2091	1	269	PHE	CD1	C	131.432	0.078
2092	1	269	PHE	N	N	118.535	0.091
2093	1	270	VAL	H	H	7.522	0.016
2094	1	270	VAL	HA	H	4.063	0.016
2095	1	270	VAL	HB	H	2.099	0.014
2096	1	270	VAL	HG11	H	0.861	0.015
2097	1	270	VAL	HG12	H	0.861	0.015
2098	1	270	VAL	HG13	H	0.861	0.015
2099	1	270	VAL	HG21	H	0.85	0.015
2100	1	270	VAL	HG22	H	0.85	0.015
2101	1	270	VAL	HG23	H	0.85	0.015
2102	1	270	VAL	C	C	174.837	0.01
2103	1	270	VAL	CA	C	62.33	0.028
2104	1	270	VAL	CB	C	32.947	0.01
2105	1	270	VAL	CG1	C	21.743	0.101
2106	1	270	VAL	CG2	C	20.955	0.084
2107	1	270	VAL	N	N	114.707	0.054

Release date

2022-12-11

Citation

Structural Elucidation of Ivermectin Binding to α7nAChR and the Induced Channel Desensitization
Bondarenko, V., Chen, Q., Singewald, K., Haloi, N., Tillman, T.S., Howard, R.J., Lindahl, E., Xu, Y., Tang, P.
ACS Chem. Neurosci. (2023), 14, 1156-1165, PubMed 36821490 , DOI 10.1021/acschemneuro.2c00783 , Abstract

Related entities 1. Neuronal acetylcholine receptor subunit alpha-7, entity 1, : 1 : 1 : 255 entities Detail

Interaction partners 1. Neuronal acetylcholine receptor subunit alpha-7, entity 1, : 6 interactors Detail

More details for 6 interactors identified by 4 citations

Experiments performed 27 experiments Detail

1 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7, Details 0.25 mM [U-15N] alpha7nAChR C317 TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	alpha7nAChR C317 TMD+ICD	[U-15N]	0.25 (±0.01) mM
2	sodium acetate	natural abundance	5 mM
3	LDAO	natural abundance	35 mM
4	sodium chloride	natural abundance	25 mM
5	D2O	natural abundance	5 %
6	DSS	natural abundance	20 uM

2 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
7	alpha7nAChR C317 TMD+ICD	[U-15N]	0.25 (±0.01) mM
8	sodium acetate	natural abundance	5 mM
9	LDAO	natural abundance	35 mM
10	sodium chloride	natural abundance	25 mM
11	D2O	natural abundance	5 %
12	DSS	natural abundance	20 uM
13	ivermectin	natural abundance	30 uM
14	DMSO	natural abundance	0.1 %

3 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
15	alpha7nAChR C317 TMD+ICD	[U-15N]	0.25 (±0.01) mM
16	sodium acetate	natural abundance	5 mM
17	LDAO	natural abundance	35 mM
18	sodium chloride	natural abundance	25 mM
19	D2O	natural abundance	5 %
20	DSS	natural abundance	20 uM
21	ivermectin	natural abundance	100 uM
22	DMSO	natural abundance	0.3 %

4 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
23	alpha7nAChR C317 TMD+ICD	[U-15N]	0.25 (±0.01) mM
24	sodium acetate	natural abundance	5 mM
25	LDAO	natural abundance	35 mM
26	sodium chloride	natural abundance	25 mM
27	D2O	natural abundance	5 %
28	DSS	natural abundance	20 uM
29	ivermectin	natural abundance	250 uM
30	DMSO	natural abundance	0.55 %

5 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
31	alpha7nAChR C317 TMD+ICD	[U-15N]	0.25 (±0.01) mM
32	sodium acetate	natural abundance	5 mM
33	LDAO	natural abundance	35 mM
34	sodium chloride	natural abundance	25 mM
35	D2O	natural abundance	5 %
36	DSS	natural abundance	20 uM
37	ivermectin	natural abundance	500 uM
38	DMSO	natural abundance	0.95 %

6 2D 1H-15N STD TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
39	alpha7nAChR C317 TMD+ICD	[U-15N]	0.25 (±0.01) mM
40	sodium acetate	natural abundance	5 mM
41	LDAO	natural abundance	35 mM
42	sodium chloride	natural abundance	25 mM
43	D2O	natural abundance	5 %
44	DSS	natural abundance	20 uM
45	ivermectin	natural abundance	500 uM
46	DMSO	natural abundance	0.8 %

7 2D 1H-15N STD TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
47	alpha7nAChR C317 TMD+ICD	[U-15N]	0.25 (±0.01) mM
48	sodium acetate	natural abundance	5 mM
49	LDAO	natural abundance	35 mM
50	sodium chloride	natural abundance	25 mM
51	D2O	natural abundance	5 %
52	DSS	natural abundance	20 uM
53	ivermectin	natural abundance	500 uM
54	DMSO	natural abundance	0.8 %

8 2D 1H-15N STD TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
55	alpha7nAChR C317 TMD+ICD	[U-15N]	0.25 (±0.01) mM
56	sodium acetate	natural abundance	5 mM
57	LDAO	natural abundance	35 mM
58	sodium chloride	natural abundance	25 mM
59	D2O	natural abundance	5 %
60	DSS	natural abundance	20 uM
61	ivermectin	natural abundance	500 uM
62	DMSO	natural abundance	0.8 %

9 2D NOESY

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7, Details 0.20 mM [U-15N] alpha7nAChR C317 TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 500 uM ivermectin, 0.8 % DMSO, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
63	alpha7nAChR C317 TMD+ICD	[U-15N]	0.20 (±0.01) mM
64	sodium acetate	natural abundance	5 mM
65	LDAO	natural abundance	35 mM
66	sodium chloride	natural abundance	25 mM
67	D2O	natural abundance	5 %
68	DSS	natural abundance	20 uM
69	ivermectin	natural abundance	500 uM
70	DMSO	natural abundance	0.8 %

10 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7, Details 0.22 mM [U-15N] V311C-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 220 uM ivermectin, 0.4 % DMSO, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
71	sodium acetate	natural abundance	5 mM
72	LDAO	natural abundance	35 mM
73	sodium chloride	natural abundance	25 mM
74	D2O	natural abundance	5 %
75	DSS	natural abundance	20 uM
76	ivermectin	natural abundance	220 uM
77	DMSO	natural abundance	0.4 %
78	V311C-MTSL alpha7nAChR TMD+ICD	[U-15N]	0.22 (±0.01) mM

11 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
79	sodium acetate	natural abundance	5 mM
80	LDAO	natural abundance	35 mM
81	sodium chloride	natural abundance	25 mM
82	D2O	natural abundance	5 %
83	DSS	natural abundance	20 uM
84	V311C-MTSL alpha7nAChR TMD+ICD	[U-15N]	0.22 (±0.01) mM

12 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7, Details 0.22 mM [U-15N] C335-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 26 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 220 uM ivermectin, 0.4 % DMSO, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
85	sodium acetate	natural abundance	5 mM
86	LDAO	natural abundance	26 mM
87	sodium chloride	natural abundance	25 mM
88	D2O	natural abundance	5 %
89	DSS	natural abundance	20 uM
90	ivermectin	natural abundance	220 uM
91	DMSO	natural abundance	0.4 %
92	C335-MTSL alpha7nAChR TMD+ICD	[U-15N]	0.22 (±0.01) mM

13 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
93	sodium acetate	natural abundance	5 mM
94	LDAO	natural abundance	26 mM
95	sodium chloride	natural abundance	25 mM
96	D2O	natural abundance	5 %
97	DSS	natural abundance	20 uM
98	C335-MTSL alpha7nAChR TMD+ICD	[U-15N]	0.22 (±0.01) mM

14 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7, Details 0.2 mM [U-15N] C342-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 26 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 200 uM ivermectin, 0.4 % DMSO, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
99	sodium acetate	natural abundance	5 mM
100	LDAO	natural abundance	26 mM
101	sodium chloride	natural abundance	25 mM
102	D2O	natural abundance	5 %
103	DSS	natural abundance	20 uM
104	ivermectin	natural abundance	200 uM
105	DMSO	natural abundance	0.4 %
106	C342-MTSL alpha7nAChR TMD+ICD	[U-15N]	0.2 (±0.01) mM

15 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7, Details 0.2 % [U-15N] C342-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 26 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
107	sodium acetate	natural abundance	5 mM
108	LDAO	natural abundance	26 mM
109	sodium chloride	natural abundance	25 mM
110	D2O	natural abundance	5 %
111	DSS	natural abundance	20 uM
112	C342-MTSL alpha7nAChR TMD+ICD	[U-15N]	0.2 (±0.01) %

16 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7, Details 0.2 mM [U-15N] S350C-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 44 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 200 uM ivermectin, 0.4 % DMSO, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
113	sodium acetate	natural abundance	5 mM
114	LDAO	natural abundance	44 mM
115	sodium chloride	natural abundance	25 mM
116	D2O	natural abundance	5 %
117	DSS	natural abundance	20 uM
118	ivermectin	natural abundance	200 uM
119	DMSO	natural abundance	0.4 %
120	S350C-MTSL alpha7nAChR TMD+ICD	[U-15N]	0.2 (±0.01) mM

17 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
121	sodium acetate	natural abundance	5 mM
122	LDAO	natural abundance	44 mM
123	sodium chloride	natural abundance	25 mM
124	D2O	natural abundance	5 %
125	DSS	natural abundance	20 uM
126	S350C-MTSL alpha7nAChR TMD+ICD	[U-15N]	0.2 (±0.01) mM

18 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7, Details 0.2 mM [U-15N] C375-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 200 uM ivermectin, 0.4 % DMSO, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
127	sodium acetate	natural abundance	5 mM
128	LDAO	natural abundance	35 mM
129	sodium chloride	natural abundance	25 mM
130	D2O	natural abundance	5 %
131	DSS	natural abundance	20 uM
132	ivermectin	natural abundance	200 uM
133	DMSO	natural abundance	0.4 %
134	C375-MTSL alpha7nAChR TMD+ICD	[U-15N]	0.2 (±0.01) mM

19 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
135	sodium acetate	natural abundance	5 mM
136	LDAO	natural abundance	35 mM
137	sodium chloride	natural abundance	25 mM
138	D2O	natural abundance	5 %
139	DSS	natural abundance	20 uM
140	C375-MTSL alpha7nAChR TMD+ICD	[U-15N]	0.2 (±0.01) mM

20 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7, Details 0.25 mM [U-15N] C390-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 44 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 250 uM ivermectin, 0.4 % DMSO, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
141	sodium acetate	natural abundance	5 mM
142	LDAO	natural abundance	44 mM
143	sodium chloride	natural abundance	25 mM
144	D2O	natural abundance	5 %
145	DSS	natural abundance	20 uM
146	ivermectin	natural abundance	250 uM
147	DMSO	natural abundance	0.4 %
148	C390-MTSL alpha7nAChR TMD+ICD	[U-15N]	0.25 (±0.01) mM

21 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
149	sodium acetate	natural abundance	5 mM
150	LDAO	natural abundance	44 mM
151	sodium chloride	natural abundance	25 mM
152	D2O	natural abundance	5 %
153	DSS	natural abundance	20 uM
154	C390-MTSL alpha7nAChR TMD+ICD	[U-15N]	0.25 (±0.01) mM

22 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7, Details 0.24 mM [U-15N] L415C-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 240 uM ivermectin, 0.4 % DMSO, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
155	sodium acetate	natural abundance	5 mM
156	LDAO	natural abundance	35 mM
157	sodium chloride	natural abundance	25 mM
158	D2O	natural abundance	5 %
159	DSS	natural abundance	20 uM
160	ivermectin	natural abundance	240 uM
161	DMSO	natural abundance	0.4 %
162	L415C-MTSL alpha7nAChR TMD+ICD	[U-15N]	0.24 (±0.01) mM

23 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
163	sodium acetate	natural abundance	5 mM
164	LDAO	natural abundance	35 mM
165	sodium chloride	natural abundance	25 mM
166	D2O	natural abundance	5 %
167	DSS	natural abundance	20 uM
168	L415C-MTSL alpha7nAChR TMD+ICD	[U-15N]	0.24 (±0.01) mM

24 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7, Details 0.2 mM [U-15N] C435-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 22 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 200 uM ivermectin, 0.4 % DMSO, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
169	sodium acetate	natural abundance	5 mM
170	LDAO	natural abundance	22 mM
171	sodium chloride	natural abundance	25 mM
172	D2O	natural abundance	5 %
173	DSS	natural abundance	20 uM
174	ivermectin	natural abundance	200 uM
175	DMSO	natural abundance	0.4 %
176	C435-MTSL alpha7nAChR TMD+ICD	[U-15N]	0.2 (±0.01) mM

25 2D 1H-15N TROSY-HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
177	sodium acetate	natural abundance	5 mM
178	LDAO	natural abundance	22 mM
179	sodium chloride	natural abundance	25 mM
180	D2O	natural abundance	5 %
181	DSS	natural abundance	20 uM
182	C435-MTSL alpha7nAChR TMD+ICD	[U-15N]	0.2 (±0.01) mM

26 3D TROSY-HNCO

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7, Details 0.22 mM [U-13C; U-15N] alpha7nAChR C317 TMD+ICD, 5 mM sodium acetate, 44 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 30 uM ivermectin, 30 uM PNU, 0.2 % DMSO, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
183	alpha7nAChR C317 TMD+ICD	[U-13C; U-15N]	0.22 (±0.01) mM
184	sodium acetate	natural abundance	5 mM
185	LDAO	natural abundance	44 mM
186	sodium chloride	natural abundance	25 mM
187	D2O	natural abundance	5 %
188	DSS	natural abundance	20 uM
189	ivermectin	natural abundance	30 uM
190	DMSO	natural abundance	0.2 %
191	PNU	natural abundance	30 uM

27 3D TROSY-HNCO

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
192	alpha7nAChR C317 TMD+ICD	[U-13C; U-15N]	0.22 (±0.01) mM
193	sodium acetate	natural abundance	5 mM
194	LDAO	natural abundance	44 mM
195	sodium chloride	natural abundance	25 mM
196	D2O	natural abundance	5 %
197	DSS	natural abundance	20 uM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr31058_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	OK

Disulfide bonds

None

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

None

Non-standard residues

None

Content subtype: bmr31058_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	2107		95.6 (chain: 1, length: 272)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 272, Sequence coverage: 95.6%
- Total number of assignments
  - ¹H chemical shifts: 1104
  - ¹³C chemical shifts: 764
  - ¹⁵N chemical shifts: 239
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1595	862	54.0
¹³C chemical shifts	1240	764	61.6
¹⁵N chemical shifts	283	239	84.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	543	465	85.6
¹³C chemical shifts	544	459	84.4
¹⁵N chemical shifts	254	231	90.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1052	397	37.7
¹³C chemical shifts	696	305	43.8
¹⁵N chemical shifts	29	8	27.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	188	121	64.4
¹³C chemical shifts	188	102	54.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	114	27	23.7
¹³C chemical shifts	110	17	15.5
¹⁵N chemical shifts	4	4	100.0

Keywords MEMBRANE PROTEIN, desensitized state, ivermectin, nicotinic acetylcholine receptor, transmembrane and intracellular domain

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Found 1 Document (0.618 seconds)

BMRB: 31058

Related entities 1. Neuronal acetylcholine receptor subunit alpha-7, entity 1, : 1 : 1 : 255 entities Detail

Interaction partners 1. Neuronal acetylcholine receptor subunit alpha-7, entity 1, : 6 interactors Detail

Experiments performed 27 experiments Detail

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