BMRBj - BMREntryMaster

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	MET	HA	H	4.525	0.020	1
2	1	1	MET	HB2	H	2.167	0.020	2
3	1	1	MET	HB3	H	2.053	0.020	2
4	1	1	MET	HG2	H	2.640	0.020	2
5	1	1	MET	HG3	H	2.586	0.020	2
6	1	1	MET	C	C	175.712	0.400	1
7	1	1	MET	CA	C	54.833	0.400	1
8	1	1	MET	CB	C	33.665	0.400	1
9	1	1	MET	CG	C	32.423	0.400	1
10	1	2	ASP	H	H	8.536	0.020	1
11	1	2	ASP	HA	H	4.629	0.020	1
12	1	2	ASP	HB2	H	2.715	0.020	2
13	1	2	ASP	HB3	H	2.715	0.020	2
14	1	2	ASP	C	C	176.363	0.400	1
15	1	2	ASP	CA	C	55.005	0.400	1
16	1	2	ASP	CB	C	41.364	0.400	1
17	1	2	ASP	N	N	120.295	0.400	1
18	1	3	SER	H	H	7.964	0.020	1
19	1	3	SER	HA	H	4.495	0.020	1
20	1	3	SER	HB2	H	3.900	0.020	2
21	1	3	SER	HB3	H	3.900	0.020	2
22	1	3	SER	C	C	174.026	0.400	1
23	1	3	SER	CA	C	58.525	0.400	1
24	1	3	SER	CB	C	64.366	0.400	1
25	1	3	SER	N	N	114.221	0.400	1
26	1	4	ALA	H	H	8.224	0.020	1
27	1	4	ALA	HA	H	4.534	0.020	1
28	1	4	ALA	HB1	H	1.344	0.020	1
29	1	4	ALA	HB2	H	1.344	0.020	1
30	1	4	ALA	HB3	H	1.344	0.020	1
31	1	4	ALA	CA	C	51.674	0.400	1
32	1	4	ALA	CB	C	18.443	0.400	1
33	1	4	ALA	N	N	125.443	0.400	1
34	1	5	PRO	HA	H	4.505	0.020	1
35	1	5	PRO	HB2	H	2.148	0.020	2
36	1	5	PRO	HB3	H	1.863	0.020	2
37	1	5	PRO	HG2	H	1.987	0.020	2
38	1	5	PRO	HG3	H	1.927	0.020	2
39	1	5	PRO	HD2	H	3.786	0.020	2
40	1	5	PRO	HD3	H	3.558	0.020	2
41	1	5	PRO	C	C	176.698	0.400	1
42	1	5	PRO	CA	C	64.075	0.400	1
43	1	5	PRO	CB	C	31.106	0.400	1
44	1	5	PRO	CG	C	27.803	0.400	1
45	1	5	PRO	CD	C	50.371	0.400	1
46	1	6	PHE	H	H	7.992	0.020	1
47	1	6	PHE	HA	H	4.389	0.020	1
48	1	6	PHE	HB2	H	3.198	0.020	2
49	1	6	PHE	HB3	H	3.172	0.020	2
50	1	6	PHE	C	C	176.483	0.400	1
51	1	6	PHE	CA	C	59.573	0.400	1
52	1	6	PHE	CB	C	39.330	0.400	1
53	1	6	PHE	N	N	117.550	0.400	1
54	1	7	GLU	H	H	8.524	0.020	1
55	1	7	GLU	HA	H	4.130	0.020	1
56	1	7	GLU	HB2	H	2.131	0.020	2
57	1	7	GLU	HB3	H	2.131	0.020	2
58	1	7	GLU	HG2	H	2.350	0.020	2
59	1	7	GLU	HG3	H	2.350	0.020	2
60	1	7	GLU	C	C	178.330	0.400	1
61	1	7	GLU	CA	C	58.871	0.400	1
62	1	7	GLU	CB	C	29.798	0.400	1
63	1	7	GLU	CG	C	36.873	0.400	1
64	1	7	GLU	N	N	118.925	0.400	1
65	1	8	LEU	H	H	7.949	0.020	1
66	1	8	LEU	HA	H	4.147	0.020	1
67	1	8	LEU	HB2	H	1.678	0.020	2
68	1	8	LEU	HB3	H	1.487	0.020	2
69	1	8	LEU	HG	H	1.678	0.020	1
70	1	8	LEU	HD11	H	0.905	0.020	2
71	1	8	LEU	HD12	H	0.905	0.020	2
72	1	8	LEU	HD13	H	0.905	0.020	2
73	1	8	LEU	HD21	H	0.862	0.020	2
74	1	8	LEU	HD22	H	0.862	0.020	2
75	1	8	LEU	HD23	H	0.862	0.020	2
76	1	8	LEU	C	C	178.212	0.400	1
77	1	8	LEU	CA	C	57.494	0.400	1
78	1	8	LEU	CB	C	42.236	0.400	1
79	1	8	LEU	CG	C	27.294	0.400	1
80	1	8	LEU	CD1	C	25.207	0.400	2
81	1	8	LEU	CD2	C	24.362	0.400	2
82	1	8	LEU	N	N	119.706	0.400	1
83	1	9	PHE	H	H	7.825	0.020	1
84	1	9	PHE	HA	H	4.175	0.020	1
85	1	9	PHE	HB2	H	3.012	0.020	2
86	1	9	PHE	HB3	H	3.012	0.020	2
87	1	9	PHE	HD1	H	7.133	0.020	1
88	1	9	PHE	HD2	H	7.133	0.020	1
89	1	9	PHE	C	C	176.226	0.400	1
90	1	9	PHE	CA	C	60.483	0.400	1
91	1	9	PHE	CB	C	38.857	0.400	1
92	1	9	PHE	N	N	116.149	0.400	1
93	1	10	PHE	H	H	7.654	0.020	1
94	1	10	PHE	HA	H	4.518	0.020	1
95	1	10	PHE	HB2	H	3.359	0.020	2
96	1	10	PHE	HB3	H	3.124	0.020	2
97	1	10	PHE	HD1	H	7.341	0.020	1
98	1	10	PHE	HD2	H	7.341	0.020	1
99	1	10	PHE	C	C	176.343	0.400	1
100	1	10	PHE	CA	C	58.836	0.400	1
101	1	10	PHE	CB	C	38.903	0.400	1
102	1	10	PHE	N	N	114.981	0.400	1
103	1	11	MET	H	H	7.830	0.020	1
104	1	11	MET	HA	H	4.421	0.020	1
105	1	11	MET	HB2	H	2.201	0.020	2
106	1	11	MET	HB3	H	2.201	0.020	2
107	1	11	MET	HG2	H	2.708	0.020	2
108	1	11	MET	HG3	H	2.607	0.020	2
109	1	11	MET	C	C	176.153	0.400	1
110	1	11	MET	CA	C	56.764	0.400	1
111	1	11	MET	CB	C	33.657	0.400	1
112	1	11	MET	CG	C	32.700	0.400	1
113	1	11	MET	N	N	117.429	0.400	1
114	1	12	ILE	H	H	7.537	0.020	1
115	1	12	ILE	HA	H	4.085	0.020	1
116	1	12	ILE	HB	H	1.904	0.020	1
117	1	12	ILE	HG12	H	1.611	0.020	2
118	1	12	ILE	HG13	H	1.230	0.020	2
119	1	12	ILE	HG21	H	0.933	0.020	1
120	1	12	ILE	HG22	H	0.933	0.020	1
121	1	12	ILE	HG23	H	0.933	0.020	1
122	1	12	ILE	HD11	H	0.818	0.020	1
123	1	12	ILE	HD12	H	0.818	0.020	1
124	1	12	ILE	HD13	H	0.818	0.020	1
125	1	12	ILE	C	C	174.740	0.400	1
126	1	12	ILE	CA	C	61.709	0.400	1
127	1	12	ILE	CB	C	39.111	0.400	1
128	1	12	ILE	CG1	C	27.756	0.400	1
129	1	12	ILE	CG2	C	17.952	0.400	1
130	1	12	ILE	CD1	C	13.695	0.400	1
131	1	12	ILE	N	N	116.961	0.400	1
132	1	13	ASN	H	H	7.797	0.020	1
133	1	13	ASN	HA	H	4.651	0.020	1
134	1	13	ASN	HB2	H	2.984	0.020	2
135	1	13	ASN	HB3	H	2.797	0.020	2
136	1	13	ASN	C	C	176.208	0.400	1
137	1	13	ASN	CA	C	54.148	0.400	1
138	1	13	ASN	CB	C	39.637	0.400	1
139	1	13	ASN	N	N	120.347	0.400	1
140	1	14	THR	H	H	8.485	0.020	1
141	1	14	THR	HA	H	3.839	0.020	1
142	1	14	THR	HB	H	4.135	0.020	1
143	1	14	THR	HG21	H	1.261	0.020	1
144	1	14	THR	HG22	H	1.261	0.020	1
145	1	14	THR	HG23	H	1.261	0.020	1
146	1	14	THR	C	C	175.861	0.400	1
147	1	14	THR	CA	C	66.918	0.400	1
148	1	14	THR	CB	C	68.807	0.400	1
149	1	14	THR	CG2	C	22.976	0.400	1
150	1	14	THR	N	N	117.285	0.400	1
151	1	15	SER	H	H	8.250	0.020	1
152	1	15	SER	HA	H	4.101	0.020	1
153	1	15	SER	HB2	H	4.012	0.020	2
154	1	15	SER	HB3	H	3.812	0.020	2
155	1	15	SER	C	C	175.512	0.400	1
156	1	15	SER	CA	C	63.098	0.400	1
157	1	15	SER	CB	C	62.856	0.400	1
158	1	15	SER	N	N	116.786	0.400	1
159	1	16	ILE	H	H	7.726	0.020	1
160	1	16	ILE	HA	H	3.729	0.020	1
161	1	16	ILE	HB	H	1.972	0.020	1
162	1	16	ILE	HG12	H	1.758	0.020	2
163	1	16	ILE	HG13	H	1.219	0.020	2
164	1	16	ILE	HG21	H	0.897	0.020	1
165	1	16	ILE	HG22	H	0.897	0.020	1
166	1	16	ILE	HG23	H	0.897	0.020	1
167	1	16	ILE	HD11	H	0.923	0.020	1
168	1	16	ILE	HD12	H	0.923	0.020	1
169	1	16	ILE	HD13	H	0.923	0.020	1
170	1	16	ILE	C	C	177.262	0.400	1
171	1	16	ILE	CA	C	64.582	0.400	1
172	1	16	ILE	CB	C	37.519	0.400	1
173	1	16	ILE	CG1	C	29.285	0.400	1
174	1	16	ILE	CG2	C	17.890	0.400	1
175	1	16	ILE	CD1	C	12.894	0.400	1
176	1	16	ILE	N	N	119.985	0.400	1
177	1	17	LEU	H	H	7.756	0.020	1
178	1	17	LEU	HA	H	4.091	0.020	1
179	1	17	LEU	HB2	H	1.759	0.020	2
180	1	17	LEU	HB3	H	1.853	0.020	2
181	1	17	LEU	HG	H	1.729	0.020	1
182	1	17	LEU	HD11	H	0.912	0.020	2
183	1	17	LEU	HD12	H	0.912	0.020	2
184	1	17	LEU	HD13	H	0.912	0.020	2
185	1	17	LEU	HD21	H	0.952	0.020	2
186	1	17	LEU	HD22	H	0.952	0.020	2
187	1	17	LEU	HD23	H	0.952	0.020	2
188	1	17	LEU	C	C	178.373	0.400	1
189	1	17	LEU	CA	C	58.533	0.400	1
190	1	17	LEU	CB	C	41.995	0.400	1
191	1	17	LEU	CG	C	27.205	0.400	1
192	1	17	LEU	CD1	C	24.947	0.400	2
193	1	17	LEU	CD2	C	24.519	0.400	2
194	1	17	LEU	N	N	119.307	0.400	1
195	1	18	LEU	H	H	8.158	0.020	1
196	1	18	LEU	HA	H	4.044	0.020	1
197	1	18	LEU	HB2	H	1.980	0.020	2
198	1	18	LEU	HB3	H	1.531	0.020	2
199	1	18	LEU	HG	H	1.872	0.020	1
200	1	18	LEU	HD11	H	0.898	0.020	2
201	1	18	LEU	HD12	H	0.898	0.020	2
202	1	18	LEU	HD13	H	0.898	0.020	2
203	1	18	LEU	HD21	H	0.877	0.020	2
204	1	18	LEU	HD22	H	0.877	0.020	2
205	1	18	LEU	HD23	H	0.877	0.020	2
206	1	18	LEU	C	C	178.369	0.400	1
207	1	18	LEU	CA	C	58.498	0.400	1
208	1	18	LEU	CB	C	41.940	0.400	1
209	1	18	LEU	CG	C	27.201	0.400	1
210	1	18	LEU	CD1	C	25.524	0.400	2
211	1	18	LEU	CD2	C	23.699	0.400	2
212	1	18	LEU	N	N	117.078	0.400	1
213	1	19	ILE	H	H	7.954	0.020	1
214	1	19	ILE	HA	H	3.733	0.020	1
215	1	19	ILE	HB	H	2.075	0.020	1
216	1	19	ILE	HG12	H	1.962	0.020	2
217	1	19	ILE	HG13	H	1.095	0.020	2
218	1	19	ILE	HG21	H	0.952	0.020	1
219	1	19	ILE	HG22	H	0.952	0.020	1
220	1	19	ILE	HG23	H	0.952	0.020	1
221	1	19	ILE	HD11	H	0.869	0.020	1
222	1	19	ILE	HD12	H	0.869	0.020	1
223	1	19	ILE	HD13	H	0.869	0.020	1
224	1	19	ILE	C	C	177.380	0.400	1
225	1	19	ILE	CA	C	65.792	0.400	1
226	1	19	ILE	CB	C	37.739	0.400	1
227	1	19	ILE	CG1	C	29.815	0.400	1
228	1	19	ILE	CG2	C	17.740	0.400	1
229	1	19	ILE	CD1	C	13.356	0.400	1
230	1	19	ILE	N	N	118.204	0.400	1
231	1	20	PHE	H	H	8.380	0.020	1
232	1	20	PHE	HA	H	4.227	0.020	1
233	1	20	PHE	HB2	H	3.246	0.020	2
234	1	20	PHE	HB3	H	3.349	0.020	2
235	1	20	PHE	C	C	176.909	0.400	1
236	1	20	PHE	CA	C	62.007	0.400	1
237	1	20	PHE	CB	C	39.118	0.400	1
238	1	20	PHE	N	N	119.077	0.400	1
239	1	21	ILE	H	H	8.473	0.020	1
240	1	21	ILE	HA	H	3.466	0.020	1
241	1	21	ILE	HB	H	2.088	0.020	1
242	1	21	ILE	HG12	H	1.986	0.020	2
243	1	21	ILE	HG13	H	1.162	0.020	2
244	1	21	ILE	HG21	H	0.874	0.020	1
245	1	21	ILE	HG22	H	0.874	0.020	1
246	1	21	ILE	HG23	H	0.874	0.020	1
247	1	21	ILE	HD11	H	0.828	0.020	1
248	1	21	ILE	HD12	H	0.828	0.020	1
249	1	21	ILE	HD13	H	0.828	0.020	1
250	1	21	ILE	C	C	177.215	0.400	1
251	1	21	ILE	CA	C	65.617	0.400	1
252	1	21	ILE	CB	C	37.467	0.400	1
253	1	21	ILE	CG1	C	29.558	0.400	1
254	1	21	ILE	CG2	C	17.583	0.400	1
255	1	21	ILE	CD1	C	13.206	0.400	1
256	1	21	ILE	N	N	117.969	0.400	1
257	1	22	PHE	H	H	8.466	0.020	1
258	1	22	PHE	HA	H	4.216	0.020	1
259	1	22	PHE	HB2	H	3.323	0.020	2
260	1	22	PHE	HB3	H	3.280	0.020	2
261	1	22	PHE	C	C	177.096	0.400	1
262	1	22	PHE	CA	C	61.864	0.400	1
263	1	22	PHE	CB	C	39.071	0.400	1
264	1	22	PHE	N	N	119.111	0.400	1
265	1	23	ILE	H	H	8.443	0.020	1
266	1	23	ILE	HA	H	3.563	0.020	1
267	1	23	ILE	HB	H	2.095	0.020	1
268	1	23	ILE	HG12	H	1.992	0.020	2
269	1	23	ILE	HG13	H	1.172	0.020	2
270	1	23	ILE	HG21	H	0.861	0.020	1
271	1	23	ILE	HG22	H	0.861	0.020	1
272	1	23	ILE	HG23	H	0.861	0.020	1
273	1	23	ILE	HD11	H	0.837	0.020	1
274	1	23	ILE	HD12	H	0.837	0.020	1
275	1	23	ILE	HD13	H	0.837	0.020	1
276	1	23	ILE	C	C	177.601	0.400	1
277	1	23	ILE	CA	C	65.790	0.400	1
278	1	23	ILE	CB	C	37.427	0.400	1
279	1	23	ILE	CG1	C	29.550	0.400	1
280	1	23	ILE	CG2	C	17.259	0.400	1
281	1	23	ILE	CD1	C	13.215	0.400	1
282	1	23	ILE	N	N	118.303	0.400	1
283	1	24	VAL	H	H	8.192	0.020	1
284	1	24	VAL	HA	H	3.481	0.020	1
285	1	24	VAL	HB	H	2.126	0.020	1
286	1	24	VAL	HG11	H	0.720	0.020	2
287	1	24	VAL	HG12	H	0.720	0.020	2
288	1	24	VAL	HG13	H	0.720	0.020	2
289	1	24	VAL	HG21	H	0.850	0.020	2
290	1	24	VAL	HG22	H	0.850	0.020	2
291	1	24	VAL	HG23	H	0.850	0.020	2
292	1	24	VAL	C	C	178.389	0.400	1
293	1	24	VAL	CA	C	67.773	0.400	1
294	1	24	VAL	CB	C	31.156	0.400	1
295	1	24	VAL	CG1	C	23.274	0.400	2
296	1	24	VAL	CG2	C	21.981	0.400	2
297	1	24	VAL	N	N	119.041	0.400	1
298	1	25	LEU	H	H	8.411	0.020	1
299	1	25	LEU	HA	H	4.078	0.020	1
300	1	25	LEU	HB2	H	2.120	0.020	2
301	1	25	LEU	HB3	H	1.494	0.020	2
302	1	25	LEU	HG	H	2.025	0.020	1
303	1	25	LEU	HD11	H	0.841	0.020	2
304	1	25	LEU	HD12	H	0.841	0.020	2
305	1	25	LEU	HD13	H	0.841	0.020	2
306	1	25	LEU	HD21	H	0.897	0.020	2
307	1	25	LEU	HD22	H	0.897	0.020	2
308	1	25	LEU	HD23	H	0.897	0.020	2
309	1	25	LEU	C	C	178.868	0.400	1
310	1	25	LEU	CA	C	58.627	0.400	1
311	1	25	LEU	CB	C	42.117	0.400	1
312	1	25	LEU	CG	C	26.892	0.400	1
313	1	25	LEU	CD1	C	26.179	0.400	2
314	1	25	LEU	CD2	C	23.530	0.400	2
315	1	25	LEU	N	N	119.237	0.400	1
316	1	26	LEU	H	H	8.537	0.020	1
317	1	26	LEU	HA	H	3.919	0.020	1
318	1	26	LEU	HB2	H	1.742	0.020	2
319	1	26	LEU	HB3	H	1.619	0.020	2
320	1	26	LEU	HG	H	1.605	0.020	1
321	1	26	LEU	HD11	H	0.792	0.020	2
322	1	26	LEU	HD12	H	0.792	0.020	2
323	1	26	LEU	HD13	H	0.792	0.020	2
324	1	26	LEU	HD21	H	0.746	0.020	2
325	1	26	LEU	HD22	H	0.746	0.020	2
326	1	26	LEU	HD23	H	0.746	0.020	2
327	1	26	LEU	C	C	179.251	0.400	1
328	1	26	LEU	CA	C	58.905	0.400	1
329	1	26	LEU	CB	C	42.231	0.400	1
330	1	26	LEU	CG	C	27.021	0.400	1
331	1	26	LEU	CD1	C	24.716	0.400	2
332	1	26	LEU	CD2	C	25.122	0.400	2
333	1	26	LEU	N	N	119.832	0.400	1
334	1	27	ILE	H	H	8.361	0.020	1
335	1	27	ILE	HA	H	3.787	0.020	1
336	1	27	ILE	HB	H	2.022	0.020	1
337	1	27	ILE	HG12	H	1.929	0.020	2
338	1	27	ILE	HG13	H	1.148	0.020	2
339	1	27	ILE	HG21	H	0.905	0.020	1
340	1	27	ILE	HG22	H	0.905	0.020	1
341	1	27	ILE	HG23	H	0.905	0.020	1
342	1	27	ILE	HD11	H	0.825	0.020	1
343	1	27	ILE	HD12	H	0.825	0.020	1
344	1	27	ILE	HD13	H	0.825	0.020	1
345	1	27	ILE	C	C	178.665	0.400	1
346	1	27	ILE	CA	C	65.215	0.400	1
347	1	27	ILE	CB	C	38.032	0.400	1
348	1	27	ILE	CG1	C	29.284	0.400	1
349	1	27	ILE	CG2	C	17.799	0.400	1
350	1	27	ILE	CD1	C	13.896	0.400	1
351	1	27	ILE	N	N	117.735	0.400	1
352	1	28	HIS	H	H	8.619	0.020	1
353	1	28	HIS	HA	H	4.335	0.020	1
354	1	28	HIS	HB2	H	3.001	0.020	2
355	1	28	HIS	HB3	H	3.001	0.020	2
356	1	28	HIS	C	C	176.936	0.400	1
357	1	28	HIS	CA	C	60.317	0.400	1
358	1	28	HIS	CB	C	30.474	0.400	1
359	1	28	HIS	N	N	119.658	0.400	1
360	1	29	PHE	H	H	8.380	0.020	1
361	1	29	PHE	HA	H	4.492	0.020	1
362	1	29	PHE	HB2	H	3.369	0.020	2
363	1	29	PHE	HB3	H	2.975	0.020	2
364	1	29	PHE	CA	C	59.919	0.400	1
365	1	29	PHE	CB	C	39.150	0.400	1
366	1	29	PHE	N	N	113.724	0.400	1
367	1	30	GLU	H	H	8.049	0.020	1
368	1	30	GLU	HA	H	3.943	0.020	1
369	1	30	GLU	HB2	H	1.872	0.020	2
370	1	30	GLU	HB3	H	1.872	0.020	2
371	1	30	GLU	HG2	H	2.241	0.020	2
372	1	30	GLU	HG3	H	2.084	0.020	2
373	1	30	GLU	CA	C	56.402	0.400	1
374	1	30	GLU	CB	C	28.809	0.400	1
375	1	30	GLU	CG	C	35.583	0.400	1
376	1	30	GLU	N	N	115.522	0.400	1
377	1	31	GLY	H	H	8.563	0.020	1
378	1	31	GLY	HA2	H	3.806	0.020	2
379	1	31	GLY	HA3	H	3.721	0.020	2
380	1	31	GLY	C	C	174.303	0.400	1
381	1	31	GLY	CA	C	47.290	0.400	1
382	1	31	GLY	N	N	107.083	0.400	1
383	1	32	TRP	H	H	7.679	0.020	1
384	1	32	TRP	HA	H	4.486	0.020	1
385	1	32	TRP	HB2	H	3.452	0.020	2
386	1	32	TRP	HB3	H	3.194	0.020	2
387	1	32	TRP	C	C	176.903	0.400	1
388	1	32	TRP	CA	C	58.096	0.400	1
389	1	32	TRP	CB	C	28.391	0.400	1
390	1	32	TRP	N	N	117.971	0.400	1
391	1	33	ARG	H	H	7.566	0.020	1
392	1	33	ARG	HA	H	3.974	0.020	1
393	1	33	ARG	HB2	H	1.758	0.020	2
394	1	33	ARG	HB3	H	1.557	0.020	2
395	1	33	ARG	HD2	H	3.114	0.020	2
396	1	33	ARG	HD3	H	3.009	0.020	2
397	1	33	ARG	C	C	177.263	0.400	1
398	1	33	ARG	CA	C	58.016	0.400	1
399	1	33	ARG	CB	C	30.565	0.400	1
400	1	33	ARG	CD	C	43.763	0.400	1
401	1	33	ARG	N	N	121.151	0.400	1
402	1	34	ILE	H	H	7.776	0.020	1
403	1	34	ILE	HA	H	4.126	0.020	1
404	1	34	ILE	HB	H	2.050	0.020	1
405	1	34	ILE	HG12	H	1.604	0.020	2
406	1	34	ILE	HG13	H	1.305	0.020	2
407	1	34	ILE	HG21	H	0.985	0.020	1
408	1	34	ILE	HG22	H	0.985	0.020	1
409	1	34	ILE	HG23	H	0.985	0.020	1
410	1	34	ILE	HD11	H	0.911	0.020	1
411	1	34	ILE	HD12	H	0.911	0.020	1
412	1	34	ILE	HD13	H	0.911	0.020	1
413	1	34	ILE	C	C	176.338	0.400	1
414	1	34	ILE	CA	C	62.800	0.400	1
415	1	34	ILE	CB	C	38.588	0.400	1
416	1	34	ILE	CG1	C	28.381	0.400	1
417	1	34	ILE	CG2	C	18.234	0.400	1
418	1	34	ILE	CD1	C	14.005	0.400	1
419	1	34	ILE	N	N	117.194	0.400	1
420	1	35	SER	H	H	7.986	0.020	1
421	1	35	SER	HA	H	4.215	0.020	1
422	1	35	SER	HB2	H	3.988	0.020	2
423	1	35	SER	HB3	H	3.900	0.020	2
424	1	35	SER	C	C	175.229	0.400	1
425	1	35	SER	CA	C	60.543	0.400	1
426	1	35	SER	CB	C	63.490	0.400	1
427	1	35	SER	N	N	115.813	0.400	1
428	1	36	PHE	H	H	7.833	0.020	1
429	1	36	PHE	HA	H	4.453	0.020	1
430	1	36	PHE	HB2	H	3.065	0.020	2
431	1	36	PHE	HB3	H	2.934	0.020	2
432	1	36	PHE	C	C	176.189	0.400	1
433	1	36	PHE	CA	C	59.435	0.400	1
434	1	36	PHE	CB	C	39.421	0.400	1
435	1	36	PHE	N	N	120.745	0.400	1
436	1	37	TYR	H	H	7.710	0.020	1
437	1	37	TYR	HA	H	4.365	0.020	1
438	1	37	TYR	HB2	H	2.923	0.020	2
439	1	37	TYR	HB3	H	2.760	0.020	2
440	1	37	TYR	HD1	H	7.110	0.020	1
441	1	37	TYR	HD2	H	7.110	0.020	1
442	1	37	TYR	C	C	175.943	0.400	1
443	1	37	TYR	CA	C	59.329	0.400	1
444	1	37	TYR	CB	C	38.989	0.400	1
445	1	37	TYR	N	N	117.996	0.400	1
446	1	38	TRP	H	H	7.826	0.020	1
447	1	38	TRP	HA	H	4.649	0.020	1
448	1	38	TRP	HB2	H	3.383	0.020	2
449	1	38	TRP	HB3	H	3.229	0.020	2
450	1	38	TRP	C	C	175.600	0.400	1
451	1	38	TRP	CA	C	58.149	0.400	1
452	1	38	TRP	CB	C	30.385	0.400	1
453	1	38	TRP	N	N	119.155	0.400	1
454	1	39	ASN	H	H	8.201	0.020	1
455	1	39	ASN	HA	H	4.638	0.020	1
456	1	39	ASN	HB2	H	2.895	0.020	2
457	1	39	ASN	HB3	H	2.768	0.020	2
458	1	39	ASN	C	C	175.342	0.400	1
459	1	39	ASN	CA	C	54.192	0.400	1
460	1	39	ASN	CB	C	38.763	0.400	1
461	1	39	ASN	N	N	118.336	0.400	1
462	1	40	VAL	H	H	7.700	0.020	1
463	1	40	VAL	HA	H	4.102	0.020	1
464	1	40	VAL	HB	H	1.976	0.020	1
465	1	40	VAL	HG11	H	0.886	0.020	2
466	1	40	VAL	HG12	H	0.886	0.020	2
467	1	40	VAL	HG13	H	0.886	0.020	2
468	1	40	VAL	HG21	H	0.899	0.020	2
469	1	40	VAL	HG22	H	0.899	0.020	2
470	1	40	VAL	HG23	H	0.899	0.020	2
471	1	40	VAL	C	C	175.600	0.400	1
472	1	40	VAL	CA	C	62.649	0.400	1
473	1	40	VAL	CB	C	33.254	0.400	1
474	1	40	VAL	CG1	C	21.108	0.400	2
475	1	40	VAL	CG2	C	21.372	0.400	2
476	1	40	VAL	N	N	117.942	0.400	1
477	1	41	SER	H	H	8.096	0.020	1
478	1	41	SER	HA	H	4.633	0.020	1
479	1	41	SER	HB2	H	3.981	0.020	2
480	1	41	SER	HB3	H	3.853	0.020	2
481	1	41	SER	C	C	175.847	0.400	1
482	1	41	SER	CA	C	58.541	0.400	1
483	1	41	SER	CB	C	63.916	0.400	1
484	1	41	SER	N	N	117.727	0.400	1
485	1	42	VAL	H	H	8.596	0.020	1
486	1	42	VAL	HA	H	3.752	0.020	1
487	1	42	VAL	HB	H	2.092	0.020	1
488	1	42	VAL	HG11	H	0.892	0.020	2
489	1	42	VAL	HG12	H	0.892	0.020	2
490	1	42	VAL	HG13	H	0.892	0.020	2
491	1	42	VAL	HG21	H	0.948	0.020	2
492	1	42	VAL	HG22	H	0.948	0.020	2
493	1	42	VAL	HG23	H	0.948	0.020	2
494	1	42	VAL	C	C	176.807	0.400	1
495	1	42	VAL	CA	C	65.618	0.400	1
496	1	42	VAL	CB	C	31.870	0.400	1
497	1	42	VAL	CG1	C	21.490	0.400	2
498	1	42	VAL	CG2	C	22.215	0.400	2
499	1	42	VAL	N	N	123.335	0.400	1
500	1	43	HIS	H	H	8.191	0.020	1
501	1	43	HIS	HA	H	4.242	0.020	1
502	1	43	HIS	HB2	H	3.122	0.020	2
503	1	43	HIS	HB3	H	3.122	0.020	2
504	1	43	HIS	C	C	177.182	0.400	1
505	1	43	HIS	CA	C	59.626	0.400	1
506	1	43	HIS	CB	C	30.464	0.400	1
507	1	43	HIS	N	N	118.204	0.400	1
508	1	44	ARG	H	H	7.721	0.020	1
509	1	44	ARG	HA	H	4.263	0.020	1
510	1	44	ARG	HB2	H	1.935	0.020	2
511	1	44	ARG	HB3	H	1.914	0.020	2
512	1	44	ARG	HG2	H	1.649	0.020	2
513	1	44	ARG	HG3	H	1.629	0.020	2
514	1	44	ARG	HD2	H	3.272	0.020	2
515	1	44	ARG	HD3	H	3.244	0.020	2
516	1	44	ARG	C	C	178.821	0.400	1
517	1	44	ARG	CA	C	58.270	0.400	1
518	1	44	ARG	CB	C	30.380	0.400	1
519	1	44	ARG	CG	C	27.670	0.400	1
520	1	44	ARG	CD	C	43.404	0.400	1
521	1	44	ARG	N	N	118.439	0.400	1
522	1	45	VAL	H	H	7.839	0.020	1
523	1	45	VAL	HA	H	3.906	0.020	1
524	1	45	VAL	HB	H	2.227	0.020	1
525	1	45	VAL	HG11	H	1.084	0.020	2
526	1	45	VAL	HG12	H	1.084	0.020	2
527	1	45	VAL	HG13	H	1.084	0.020	2
528	1	45	VAL	HG21	H	0.994	0.020	2
529	1	45	VAL	HG22	H	0.994	0.020	2
530	1	45	VAL	HG23	H	0.994	0.020	2
531	1	45	VAL	C	C	176.210	0.400	1
532	1	45	VAL	CA	C	65.071	0.400	1
533	1	45	VAL	CB	C	32.088	0.400	1
534	1	45	VAL	CG1	C	22.344	0.400	2
535	1	45	VAL	CG2	C	21.781	0.400	2
536	1	45	VAL	N	N	118.307	0.400	1
537	1	46	LEU	H	H	7.653	0.020	1
538	1	46	LEU	HA	H	4.269	0.020	1
539	1	46	LEU	HB2	H	1.714	0.020	2
540	1	46	LEU	HB3	H	1.542	0.020	2
541	1	46	LEU	HG	H	1.800	0.020	1
542	1	46	LEU	HD11	H	0.897	0.020	2
543	1	46	LEU	HD12	H	0.897	0.020	2
544	1	46	LEU	HD13	H	0.897	0.020	2
545	1	46	LEU	HD21	H	0.884	0.020	2
546	1	46	LEU	HD22	H	0.884	0.020	2
547	1	46	LEU	HD23	H	0.884	0.020	2
548	1	46	LEU	C	C	176.934	0.400	1
549	1	46	LEU	CA	C	55.386	0.400	1
550	1	46	LEU	CB	C	42.368	0.400	1
551	1	46	LEU	CG	C	27.173	0.400	1
552	1	46	LEU	CD1	C	26.151	0.400	2
553	1	46	LEU	CD2	C	23.215	0.400	2
554	1	46	LEU	N	N	116.572	0.400	1
555	1	47	GLY	H	H	7.652	0.020	1
556	1	47	GLY	HA2	H	3.982	0.020	2
557	1	47	GLY	HA3	H	3.872	0.020	2
558	1	47	GLY	C	C	174.680	0.400	1
559	1	47	GLY	CA	C	45.908	0.400	1
560	1	47	GLY	N	N	104.940	0.400	1
561	1	48	PHE	H	H	7.937	0.020	1
562	1	48	PHE	HA	H	4.642	0.020	1
563	1	48	PHE	HB2	H	3.216	0.020	2
564	1	48	PHE	HB3	H	2.953	0.020	2
565	1	48	PHE	C	C	175.567	0.400	1
566	1	48	PHE	CA	C	57.820	0.400	1
567	1	48	PHE	CB	C	39.453	0.400	1
568	1	48	PHE	N	N	119.154	0.400	1
569	1	49	LYS	H	H	8.208	0.020	1
570	1	49	LYS	HA	H	4.362	0.020	1
571	1	49	LYS	HB2	H	1.761	0.020	2
572	1	49	LYS	HB3	H	1.879	0.020	2
573	1	49	LYS	HG2	H	1.460	0.020	2
574	1	49	LYS	HG3	H	1.460	0.020	2
575	1	49	LYS	HD2	H	1.709	0.020	2
576	1	49	LYS	HD3	H	1.709	0.020	2
577	1	49	LYS	HE2	H	3.022	0.020	2
578	1	49	LYS	HE3	H	3.022	0.020	2
579	1	49	LYS	C	C	175.333	0.400	1
580	1	49	LYS	CA	C	56.365	0.400	1
581	1	49	LYS	CB	C	33.878	0.400	1
582	1	49	LYS	CG	C	24.725	0.400	1
583	1	49	LYS	CD	C	29.242	0.400	1
584	1	49	LYS	CE	C	42.355	0.400	1
585	1	49	LYS	N	N	121.773	0.400	1
586	1	50	GLU	H	H	7.979	0.020	1
587	1	50	GLU	HA	H	4.100	0.020	1
588	1	50	GLU	HB2	H	1.918	0.020	2
589	1	50	GLU	HB3	H	2.050	0.020	2
590	1	50	GLU	HG2	H	2.216	0.020	2
591	1	50	GLU	HG3	H	2.216	0.020	2
592	1	50	GLU	CA	C	58.417	0.400	1
593	1	50	GLU	CB	C	31.407	0.400	1
594	1	50	GLU	CG	C	37.045	0.400	1
595	1	50	GLU	N	N	127.140	0.400	1

Release date

2022-09-26

Citation

The architecture of transmembrane and cytoplasmic juxtamembrane regions of Toll-like receptors
Kornilov, F.D., Shabalkina, A.V., Cong, L., Volynsky, P.E., Kot, E.F., Kayushin, A.L., Lushpa, V.A., Goncharuk, M.V., Arseniev, A.S., Goncharuk, S.A., Xiaohui, W., Mineev, K.S.
Nat. Commun. (2023), 14, 1503-1503, PubMed 36932058 , DOI 10.1038/s41467-023-37042-6 , Abstract

Entries sharing articles BMRB: 3 entries Detail

  BMRB: 34750 released on 2022-09-26
    Title Solution structure of TLR2 transmembrane and cytoplasmic juxtamembrane regions
  BMRB: 34752 released on 2022-09-26
    Title Solution structure of TLR5 transmembrane and cytoplasmic juxtamembrane regions
  BMRB: 34753 released on 2022-09-26
    Title Solution structure of TLR9 transmembrane and cytoplasmic juxtamembrane regions

Related entities 1. Toll-like receptor 3, : 1 : 1 : 3 : 7 entities Detail

Interaction partners 1. Toll-like receptor 3, : 14 interactors Detail

More details for 14 interactors identified by 8 citations

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0 (±0.1), Details 270 uM [U-13C; U-15N] protein, 128 mM [U-2H] DPC, 20 mM potassium phosphate, 4 mM TCEP, 0.05 % w/v sodium azide, 1 mM TSP, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	270 uM
2	DPC	[U-2H]	128 mM
3	potassium phosphate	natural abundance	20 mM
4	TCEP	natural abundance	4 mM
5	sodium azide	natural abundance	0.05 % w/v
6	TSP	natural abundance	1 mM

2 2D 1H-13C HSQC aliphatic constant time

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	270 uM
2	DPC	[U-2H]	128 mM
3	potassium phosphate	natural abundance	20 mM
4	TCEP	natural abundance	4 mM
5	sodium azide	natural abundance	0.05 % w/v
6	TSP	natural abundance	1 mM

3 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	270 uM
2	DPC	[U-2H]	128 mM
3	potassium phosphate	natural abundance	20 mM
4	TCEP	natural abundance	4 mM
5	sodium azide	natural abundance	0.05 % w/v
6	TSP	natural abundance	1 mM

4 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	270 uM
2	DPC	[U-2H]	128 mM
3	potassium phosphate	natural abundance	20 mM
4	TCEP	natural abundance	4 mM
5	sodium azide	natural abundance	0.05 % w/v
6	TSP	natural abundance	1 mM

5 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	270 uM
2	DPC	[U-2H]	128 mM
3	potassium phosphate	natural abundance	20 mM
4	TCEP	natural abundance	4 mM
5	sodium azide	natural abundance	0.05 % w/v
6	TSP	natural abundance	1 mM

6 3D HN(CO)CA

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	270 uM
2	DPC	[U-2H]	128 mM
3	potassium phosphate	natural abundance	20 mM
4	TCEP	natural abundance	4 mM
5	sodium azide	natural abundance	0.05 % w/v
6	TSP	natural abundance	1 mM

7 3D HNCA

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	270 uM
2	DPC	[U-2H]	128 mM
3	potassium phosphate	natural abundance	20 mM
4	TCEP	natural abundance	4 mM
5	sodium azide	natural abundance	0.05 % w/v
6	TSP	natural abundance	1 mM

8 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	270 uM
2	DPC	[U-2H]	128 mM
3	potassium phosphate	natural abundance	20 mM
4	TCEP	natural abundance	4 mM
5	sodium azide	natural abundance	0.05 % w/v
6	TSP	natural abundance	1 mM

9 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	270 uM
2	DPC	[U-2H]	128 mM
3	potassium phosphate	natural abundance	20 mM
4	TCEP	natural abundance	4 mM
5	sodium azide	natural abundance	0.05 % w/v
6	TSP	natural abundance	1 mM

10 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	270 uM
2	DPC	[U-2H]	128 mM
3	potassium phosphate	natural abundance	20 mM
4	TCEP	natural abundance	4 mM
5	sodium azide	natural abundance	0.05 % w/v
6	TSP	natural abundance	1 mM

11 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	270 uM
2	DPC	[U-2H]	128 mM
3	potassium phosphate	natural abundance	20 mM
4	TCEP	natural abundance	4 mM
5	sodium azide	natural abundance	0.05 % w/v
6	TSP	natural abundance	1 mM

12 3D hCCH-COSY aromatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	270 uM
2	DPC	[U-2H]	128 mM
3	potassium phosphate	natural abundance	20 mM
4	TCEP	natural abundance	4 mM
5	sodium azide	natural abundance	0.05 % w/v
6	TSP	natural abundance	1 mM

13 2D CBHD aromatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	270 uM
2	DPC	[U-2H]	128 mM
3	potassium phosphate	natural abundance	20 mM
4	TCEP	natural abundance	4 mM
5	sodium azide	natural abundance	0.05 % w/v
6	TSP	natural abundance	1 mM

14 2D 1H-15N IPAP-HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0 (±0.1), Details 220 uM [U-15N] protein, 142 mM DPC, 40 mM potassium phosphate, 4 mM TCEP, 0.05 % w/v sodium azide, 1 mM TSP, 37 mg/mL dGpG, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
7	protein	[U-15N]	220 uM
8	DPC	natural abundance	142 mM
9	potassium phosphate	natural abundance	40 mM
10	TCEP	natural abundance	4 mM
11	sodium azide	natural abundance	0.05 % w/v
12	TSP	natural abundance	1 mM
13	dGpG	natural abundance	37 mg/mL

15 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
7	protein	[U-15N]	220 uM
8	DPC	natural abundance	142 mM
9	potassium phosphate	natural abundance	40 mM
10	TCEP	natural abundance	4 mM
11	sodium azide	natural abundance	0.05 % w/v
12	TSP	natural abundance	1 mM
13	dGpG	natural abundance	37 mg/mL

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34751_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: bmr34751_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	595		100.0 (chain: 1, length: 50)
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: 50, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 342
  - ¹³C chemical shifts: 205
  - ¹⁵N chemical shifts: 48
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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	335	270	80.6
¹³C chemical shifts	270	205	75.9
¹⁵N chemical shifts	55	48	87.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	101	100	99.0
¹³C chemical shifts	100	96	96.0
¹⁵N chemical shifts	49	48	98.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	234	170	72.6
¹³C chemical shifts	170	109	64.1
¹⁵N chemical shifts	6	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	38	36	94.7
¹³C chemical shifts	38	36	94.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	60	6	10.0
¹³C chemical shifts	58	0	0.0
¹⁵N chemical shifts	2	0	0.0

Keywords MEMBRANE PROTEIN, PROTEIN

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Found 1 Document (0.576 seconds)

BMRB: 34751

Entries sharing articles BMRB: 3 entries Detail

Related entities 1. Toll-like receptor 3, : 1 : 1 : 3 : 7 entities Detail

Interaction partners 1. Toll-like receptor 3, : 14 interactors Detail

Experiments performed 15 experiments Detail

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Chemical shift validation 3 contents Detail