BMRBj - BMREntryMaster

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err
1	1	9	THR	H	H	8.575	0.000
2	1	9	THR	HA	H	4.361	0.000
3	1	9	THR	HB	H	3.876	0.000
4	1	9	THR	HG1	H	4.052	0.010
5	1	9	THR	HG21	H	1.059	0.000
6	1	9	THR	HG22	H	1.059	0.000
7	1	9	THR	HG23	H	1.059	0.000
8	1	9	THR	CA	C	63.600	0.000
9	1	9	THR	CB	C	70.773	0.000
10	1	9	THR	CG2	C	22.696	0.000
11	1	9	THR	N	N	122.176	0.000
12	1	10	LYS	H	H	8.017	0.000
13	1	10	LYS	HA	H	4.685	0.000
14	1	10	LYS	HB2	H	1.719	0.010
15	1	10	LYS	HB3	H	1.720	0.010
16	1	10	LYS	HG2	H	1.381	0.000
17	1	10	LYS	HG3	H	1.382	0.000
18	1	10	LYS	HD2	H	1.583	0.010
19	1	10	LYS	HD3	H	1.582	0.010
20	1	10	LYS	HE2	H	2.859	0.000
21	1	10	LYS	HE3	H	2.859	0.000
22	1	10	LYS	CB	C	34.103	0.000
23	1	10	LYS	CG	C	24.454	0.000
24	1	10	LYS	CD	C	29.255	0.000
25	1	10	LYS	CE	C	41.986	0.000
26	1	10	LYS	N	N	126.935	0.000
27	1	11	GLY	H	H	7.581	0.000
28	1	11	GLY	HA2	H	2.908	0.000
29	1	11	GLY	HA3	H	4.502	0.000
30	1	11	GLY	CA	C	45.030	0.000
31	1	11	GLY	N	N	109.293	0.000
32	1	12	ASN	H	H	8.002	0.000
33	1	12	ASN	HA	H	5.514	0.000
34	1	12	ASN	HB2	H	2.527	0.000
35	1	12	ASN	HB3	H	2.791	0.000
36	1	12	ASN	HD21	H	7.660	0.000
37	1	12	ASN	HD22	H	6.171	0.000
38	1	12	ASN	CA	C	53.066	0.000
39	1	12	ASN	CB	C	43.796	0.000
40	1	12	ASN	N	N	117.738	0.000
41	1	12	ASN	ND2	N	111.586	0.000
42	1	13	VAL	H	H	9.394	0.000
43	1	13	VAL	HA	H	4.837	0.000
44	1	13	VAL	HB	H	2.026	0.000
45	1	13	VAL	HG11	H	0.561	0.010
46	1	13	VAL	HG12	H	0.561	0.010
47	1	13	VAL	HG13	H	0.561	0.010
48	1	13	VAL	HG21	H	1.075	0.010
49	1	13	VAL	HG22	H	1.075	0.010
50	1	13	VAL	HG23	H	1.075	0.010
51	1	13	VAL	CB	C	33.023	0.000
52	1	13	VAL	CG1	C	21.609	0.010
53	1	13	VAL	CG2	C	24.700	0.010
54	1	13	VAL	N	N	127.035	0.000
55	1	14	THR	H	H	8.305	0.000
56	1	14	THR	HA	H	4.801	0.010
57	1	14	THR	HB	H	3.646	0.000
58	1	14	THR	HG1	H	1.493	0.010
59	1	14	THR	HG21	H	0.960	0.000
60	1	14	THR	HG22	H	0.960	0.000
61	1	14	THR	HG23	H	0.960	0.000
62	1	14	THR	CB	C	73.840	0.000
63	1	14	THR	CG2	C	21.825	0.000
64	1	14	THR	N	N	118.394	0.000
65	1	15	SER	H	H	8.531	0.000
66	1	15	SER	HA	H	4.231	0.000
67	1	15	SER	HB2	H	4.060	0.000
68	1	15	SER	HB3	H	4.229	0.000
69	1	15	SER	HG	H	8.523	0.010
70	1	15	SER	CA	C	56.531	0.000
71	1	15	SER	CB	C	64.063	0.000
72	1	15	SER	N	N	114.952	0.000
73	1	16	LYS	H	H	9.533	0.000
74	1	16	LYS	HA	H	3.974	0.000
75	1	16	LYS	HB2	H	1.541	0.000
76	1	16	LYS	HB3	H	2.014	0.000
77	1	16	LYS	HG2	H	0.832	0.000
78	1	16	LYS	HG3	H	1.568	0.010
79	1	16	LYS	HD2	H	1.668	0.010
80	1	16	LYS	HD3	H	1.668	0.000
81	1	16	LYS	HE2	H	2.979	0.010
82	1	16	LYS	HE3	H	2.979	0.000
83	1	16	LYS	CA	C	58.883	0.000
84	1	16	LYS	CB	C	33.574	0.000
85	1	16	LYS	CG	C	25.364	0.000
86	1	16	LYS	CD	C	29.703	0.000
87	1	16	LYS	CE	C	42.148	0.000
88	1	16	LYS	N	N	129.770	0.000
89	1	17	THR	H	H	8.514	0.000
90	1	17	THR	HA	H	3.619	0.010
91	1	17	THR	HB	H	4.065	0.000
92	1	17	THR	HG1	H	4.779	0.010
93	1	17	THR	HG21	H	1.244	0.000
94	1	17	THR	HG22	H	1.244	0.000
95	1	17	THR	HG23	H	1.244	0.000
96	1	17	THR	CA	C	65.399	0.000
97	1	17	THR	CB	C	68.626	0.000
98	1	17	THR	CG2	C	22.124	0.010
99	1	17	THR	N	N	113.151	0.000
100	1	18	ASP	H	H	7.355	0.000
101	1	18	ASP	HA	H	3.893	0.010
102	1	18	ASP	HB2	H	2.475	0.000
103	1	18	ASP	HB3	H	3.078	0.000
104	1	18	ASP	CA	C	52.970	0.010
105	1	18	ASP	CB	C	42.063	0.000
106	1	18	ASP	N	N	115.633	0.000
107	1	19	GLY	H	H	8.212	0.000
108	1	19	GLY	HA2	H	3.901	0.000
109	1	19	GLY	HA3	H	4.048	0.000
110	1	19	GLY	CA	C	46.236	0.000
111	1	19	GLY	N	N	109.687	0.000
112	1	20	GLN	H	H	8.123	0.000
113	1	20	GLN	HA	H	4.559	0.000
114	1	20	GLN	HB2	H	2.058	0.010
115	1	20	GLN	HB3	H	2.329	0.010
116	1	20	GLN	HG2	H	2.183	0.000
117	1	20	GLN	HG3	H	2.185	0.010
118	1	20	GLN	HE21	H	6.878	0.000
119	1	20	GLN	HE22	H	7.649	0.000
120	1	20	GLN	CA	C	53.863	0.000
121	1	20	GLN	CB	C	27.877	0.000
122	1	20	GLN	CG	C	33.880	0.000
123	1	20	GLN	N	N	119.723	0.000
124	1	20	GLN	NE2	N	113.670	0.000
125	1	21	PRO	HA	H	4.460	0.000
126	1	21	PRO	HB2	H	1.870	0.000
127	1	21	PRO	HB3	H	1.466	0.000
128	1	21	PRO	HG2	H	1.946	0.000
129	1	21	PRO	HG3	H	2.090	0.000
130	1	21	PRO	HD2	H	3.678	0.000
131	1	21	PRO	HD3	H	3.842	0.000
132	1	21	PRO	CA	C	62.970	0.000
133	1	21	PRO	CB	C	31.776	0.000
134	1	21	PRO	CG	C	27.677	0.000
135	1	21	PRO	CD	C	50.482	0.000
136	1	22	ILE	H	H	7.902	0.000
137	1	22	ILE	HA	H	3.870	0.000
138	1	22	ILE	HB	H	1.161	0.000
139	1	22	ILE	HG12	H	0.789	0.000
140	1	22	ILE	HG13	H	0.792	0.000
141	1	22	ILE	HD11	H	-0.020	0.010
142	1	22	ILE	HD12	H	-0.020	0.010
143	1	22	ILE	HD13	H	-0.020	0.010
144	1	22	ILE	CA	C	58.952	0.000
145	1	22	ILE	CB	C	35.638	0.000
146	1	22	ILE	CG1	C	26.141	0.000
147	1	22	ILE	CD1	C	10.897	0.010
148	1	22	ILE	N	N	122.719	0.000
149	1	23	ILE	H	H	8.305	0.000
150	1	23	ILE	HA	H	3.751	0.000
151	1	23	ILE	HB	H	1.581	0.000
152	1	23	ILE	HG12	H	1.087	0.000
153	1	23	ILE	HG13	H	1.349	0.000
154	1	23	ILE	HG21	H	0.638	0.000
155	1	23	ILE	HG22	H	0.638	0.000
156	1	23	ILE	HG23	H	0.638	0.000
157	1	23	ILE	HD11	H	0.642	0.010
158	1	23	ILE	HD12	H	0.642	0.010
159	1	23	ILE	HD13	H	0.642	0.010
160	1	23	ILE	CA	C	61.167	0.000
161	1	23	ILE	CB	C	38.937	0.000
162	1	23	ILE	CG1	C	25.913	0.000
163	1	23	ILE	CG2	C	16.535	0.000
164	1	23	ILE	CD1	C	16.495	0.010
165	1	23	ILE	N	N	132.291	0.000
166	1	24	GLY	H	H	7.853	0.000
167	1	24	GLY	HA2	H	4.287	0.000
168	1	24	GLY	HA3	H	3.560	0.000
169	1	24	GLY	CA	C	45.176	0.000
170	1	24	GLY	N	N	115.114	0.000
171	1	25	ALA	H	H	8.047	0.000
172	1	25	ALA	HA	H	4.468	0.000
173	1	25	ALA	HB1	H	0.915	0.000
174	1	25	ALA	HB2	H	0.915	0.000
175	1	25	ALA	HB3	H	0.915	0.000
176	1	25	ALA	CA	C	52.279	0.000
177	1	25	ALA	CB	C	17.153	0.000
178	1	25	ALA	N	N	122.976	0.000
179	1	26	SER	H	H	8.759	0.000
180	1	26	SER	HA	H	5.795	0.010
181	1	26	SER	HB2	H	3.834	0.000
182	1	26	SER	HG	H	4.768	0.000
183	1	26	SER	CA	C	57.881	0.010
184	1	26	SER	CB	C	63.748	0.000
185	1	26	SER	N	N	116.916	0.000
186	1	27	VAL	H	H	8.108	0.000
187	1	27	VAL	HA	H	4.450	0.000
188	1	27	VAL	HB	H	1.210	0.000
189	1	27	VAL	HG21	H	-0.114	0.000
190	1	27	VAL	HG22	H	-0.114	0.000
191	1	27	VAL	HG23	H	-0.114	0.000
192	1	27	VAL	CA	C	61.185	0.000
193	1	27	VAL	CB	C	33.015	0.000
194	1	27	VAL	CG1	C	18.087	0.000
195	1	27	VAL	CG2	C	20.513	0.000
196	1	27	VAL	N	N	126.592	0.000
197	1	28	VAL	H	H	8.364	0.000
198	1	28	VAL	HA	H	5.013	0.000
199	1	28	VAL	HB	H	1.961	0.000
200	1	28	VAL	HG11	H	0.622	0.010
201	1	28	VAL	HG12	H	0.622	0.010
202	1	28	VAL	HG13	H	0.622	0.010
203	1	28	VAL	HG21	H	0.805	0.000
204	1	28	VAL	HG22	H	0.805	0.000
205	1	28	VAL	HG23	H	0.805	0.000
206	1	28	VAL	CA	C	58.574	0.000
207	1	28	VAL	CB	C	36.047	0.000
208	1	28	VAL	CG1	C	25.508	0.010
209	1	28	VAL	CG2	C	20.328	0.000
210	1	28	VAL	N	N	119.624	0.000
211	1	29	GLU	H	H	8.108	0.000
212	1	29	GLU	HA	H	4.512	0.000
213	1	29	GLU	HB2	H	1.958	0.000
214	1	29	GLU	HB3	H	2.547	0.000
215	1	29	GLU	HG2	H	2.340	0.010
216	1	29	GLU	HG3	H	2.354	0.010
217	1	29	GLU	CA	C	56.173	0.000
218	1	29	GLU	CB	C	30.167	0.000
219	1	29	GLU	CG	C	33.868	0.010
220	1	29	GLU	N	N	125.645	0.000
221	1	30	THR	H	H	8.821	0.000
222	1	30	THR	HA	H	3.789	0.000
223	1	30	THR	HB	H	4.186	0.000
224	1	30	THR	HG1	H	4.783	0.000
225	1	30	THR	HG21	H	1.151	0.000
226	1	30	THR	HG22	H	1.151	0.000
227	1	30	THR	HG23	H	1.151	0.000
228	1	30	THR	CA	C	65.974	0.000
229	1	30	THR	CB	C	68.354	0.000
230	1	30	THR	CG2	C	23.009	0.000
231	1	30	THR	N	N	121.638	0.000
232	1	31	THR	H	H	7.493	0.000
233	1	31	THR	HA	H	4.237	0.000
234	1	31	THR	HB	H	4.540	0.000
235	1	31	THR	HG1	H	4.780	0.010
236	1	31	THR	HG21	H	1.241	0.000
237	1	31	THR	HG22	H	1.241	0.000
238	1	31	THR	HG23	H	1.241	0.000
239	1	31	THR	CA	C	61.085	0.000
240	1	31	THR	CB	C	68.620	0.000
241	1	31	THR	CG2	C	23.054	0.000
242	1	31	THR	N	N	107.756	0.000
243	1	32	ALA	H	H	7.494	0.000
244	1	32	ALA	HA	H	4.599	0.000
245	1	32	ALA	HB1	H	1.307	0.000
246	1	32	ALA	HB2	H	1.307	0.000
247	1	32	ALA	HB3	H	1.307	0.000
248	1	32	ALA	CA	C	52.160	0.000
249	1	32	ALA	CB	C	18.460	0.000
250	1	32	ALA	N	N	125.236	0.000
251	1	33	THR	H	H	8.485	0.000
252	1	33	THR	HA	H	4.125	0.000
253	1	33	THR	HB	H	4.338	0.000
254	1	33	THR	HG1	H	4.124	0.010
255	1	33	THR	HG21	H	1.255	0.000
256	1	33	THR	HG22	H	1.255	0.000
257	1	33	THR	HG23	H	1.255	0.000
258	1	33	THR	CA	C	64.675	0.000
259	1	33	THR	CB	C	68.539	0.000
260	1	33	THR	CG2	C	22.058	0.000
261	1	33	THR	N	N	113.842	0.000
262	1	34	THR	H	H	7.508	0.000
263	1	34	THR	HA	H	4.252	0.000
264	1	34	THR	HB	H	4.397	0.000
265	1	34	THR	HG1	H	4.777	0.000
266	1	34	THR	HG21	H	1.241	0.000
267	1	34	THR	HG22	H	1.241	0.000
268	1	34	THR	HG23	H	1.241	0.000
269	1	34	THR	CA	C	62.224	0.000
270	1	34	THR	CB	C	68.835	0.000
271	1	34	THR	CG2	C	21.992	0.000
272	1	34	THR	N	N	109.606	0.000
273	1	35	ASN	H	H	8.629	0.000
274	1	35	ASN	HA	H	5.031	0.010
275	1	35	ASN	HB2	H	2.618	0.000
276	1	35	ASN	HB3	H	3.546	0.000
277	1	35	ASN	HD21	H	7.328	0.000
278	1	35	ASN	CA	C	51.996	0.010
279	1	35	ASN	CB	C	37.470	0.000
280	1	35	ASN	N	N	124.028	0.000
281	1	35	ASN	ND2	N	112.975	0.000
282	1	36	GLY	H	H	7.505	0.000
283	1	36	GLY	HA2	H	5.024	0.000
284	1	36	GLY	HA3	H	3.927	0.000
285	1	36	GLY	CA	C	45.341	0.000
286	1	36	GLY	N	N	108.383	0.000
287	1	37	THR	H	H	9.043	0.000
288	1	37	THR	HA	H	4.791	0.010
289	1	37	THR	HB	H	4.287	0.000
290	1	37	THR	HG1	H	8.115	0.010
291	1	37	THR	HG21	H	1.135	0.000
292	1	37	THR	HG22	H	1.135	0.000
293	1	37	THR	HG23	H	1.135	0.000
294	1	37	THR	CA	C	59.268	0.010
295	1	37	THR	CB	C	69.134	0.000
296	1	37	THR	CG2	C	18.983	0.000
297	1	37	THR	N	N	114.198	0.000
298	1	38	ILE	H	H	8.312	0.000
299	1	38	ILE	HA	H	5.797	0.000
300	1	38	ILE	HB	H	1.619	0.000
301	1	38	ILE	HG12	H	0.873	0.010
302	1	38	ILE	HG13	H	1.348	0.010
303	1	38	ILE	HG21	H	0.873	0.000
304	1	38	ILE	HG22	H	0.873	0.000
305	1	38	ILE	HG23	H	0.873	0.000
306	1	38	ILE	HD11	H	0.866	0.000
307	1	38	ILE	HD12	H	0.866	0.000
308	1	38	ILE	HD13	H	0.866	0.000
309	1	38	ILE	CA	C	57.900	0.000
310	1	38	ILE	CB	C	42.585	0.000
311	1	38	ILE	CG2	C	17.483	0.010
312	1	38	ILE	CD1	C	14.187	0.010
313	1	38	ILE	N	N	119.348	0.000
314	1	39	THR	H	H	8.666	0.000
315	1	39	THR	HA	H	4.657	0.000
316	1	39	THR	HB	H	4.217	0.000
317	1	39	THR	HG1	H	6.876	0.000
318	1	39	THR	HG21	H	1.072	0.000
319	1	39	THR	HG22	H	1.072	0.000
320	1	39	THR	HG23	H	1.072	0.000
321	1	39	THR	CB	C	70.199	0.000
322	1	39	THR	CG2	C	24.716	0.000
323	1	39	THR	N	N	113.246	0.000
324	1	40	ASP	H	H	8.707	0.000
325	1	40	ASP	HA	H	4.550	0.010
326	1	40	ASP	HB2	H	2.862	0.000
327	1	40	ASP	HB3	H	3.254	0.010
328	1	40	ASP	CA	C	52.436	0.010
329	1	40	ASP	CB	C	41.491	0.000
330	1	40	ASP	N	N	122.821	0.000
331	1	41	PHE	H	H	7.311	0.000
332	1	41	PHE	HA	H	4.276	0.000
333	1	41	PHE	HB2	H	3.118	0.000
334	1	41	PHE	HB3	H	3.181	0.000
335	1	41	PHE	HD1	H	7.307	0.000
336	1	41	PHE	HD2	H	8.077	0.010
337	1	41	PHE	HE1	H	7.304	0.000
338	1	41	PHE	HE2	H	7.304	0.000
339	1	41	PHE	HZ	H	7.304	0.010
340	1	41	PHE	CA	C	59.353	0.000
341	1	41	PHE	CB	C	38.615	0.000
342	1	41	PHE	N	N	113.782	0.000
343	1	42	ASP	H	H	8.081	0.000
344	1	42	ASP	HA	H	4.534	0.000
345	1	42	ASP	HB2	H	2.451	0.000
346	1	42	ASP	HB3	H	2.737	0.000
347	1	42	ASP	CB	C	42.768	0.000
348	1	42	ASP	N	N	117.742	0.000
349	1	43	GLY	H	H	8.507	0.000
350	1	43	GLY	HA2	H	3.939	0.000
351	1	43	GLY	HA3	H	4.149	0.000
352	1	43	GLY	CA	C	45.257	0.000
353	1	43	GLY	N	N	109.450	0.000
354	1	44	ASN	H	H	8.313	0.000
355	1	44	ASN	HB2	H	2.758	0.000
356	1	44	ASN	HB3	H	3.255	0.000
357	1	44	ASN	HD21	H	6.905	0.000
358	1	44	ASN	HD22	H	8.217	0.000
359	1	44	ASN	CA	C	52.450	0.000
360	1	44	ASN	CB	C	39.894	0.000
361	1	44	ASN	N	N	118.831	0.000
362	1	44	ASN	ND2	N	115.392	0.000
363	1	45	PHE	H	H	8.306	0.000
364	1	45	PHE	HA	H	5.125	0.000
365	1	45	PHE	HB2	H	2.598	0.000
366	1	45	PHE	HB3	H	2.913	0.000
367	1	45	PHE	HD1	H	6.665	0.000
368	1	45	PHE	HE1	H	6.617	0.010
369	1	45	PHE	HE2	H	6.659	0.010
370	1	45	PHE	HZ	H	6.615	0.010
371	1	45	PHE	CA	C	56.322	0.000
372	1	45	PHE	CB	C	42.246	0.000
373	1	45	PHE	N	N	114.608	0.000
374	1	46	THR	H	H	8.743	0.000
375	1	46	THR	HA	H	5.236	0.000
376	1	46	THR	HB	H	3.990	0.000
377	1	46	THR	HG1	H	2.909	0.010
378	1	46	THR	HG21	H	1.094	0.000
379	1	46	THR	HG22	H	1.094	0.000
380	1	46	THR	HG23	H	1.094	0.000
381	1	46	THR	CA	C	60.642	0.000
382	1	46	THR	CB	C	71.517	0.000
383	1	46	THR	CG2	C	21.071	0.000
384	1	46	THR	N	N	115.520	0.000
385	1	47	LEU	H	H	8.692	0.000
386	1	47	LEU	HA	H	4.581	0.000
387	1	47	LEU	HB2	H	1.360	0.000
388	1	47	LEU	HB3	H	1.556	0.000
389	1	47	LEU	HG	H	0.716	0.010
390	1	47	LEU	HD11	H	1.139	0.000
391	1	47	LEU	HD12	H	1.139	0.000
392	1	47	LEU	HD13	H	1.139	0.000
393	1	47	LEU	HD21	H	1.134	0.010
394	1	47	LEU	HD22	H	1.134	0.010
395	1	47	LEU	HD23	H	1.134	0.010
396	1	47	LEU	CA	C	54.958	0.000
397	1	47	LEU	CB	C	47.452	0.000
398	1	47	LEU	CG	C	23.984	0.010
399	1	47	LEU	CD2	C	21.808	0.010
400	1	47	LEU	N	N	125.826	0.000
401	1	48	SER	H	H	8.828	0.000
402	1	48	SER	HA	H	5.334	0.000
403	1	48	SER	HB2	H	3.625	0.000
404	1	48	SER	HB3	H	3.764	0.010
405	1	48	SER	HG	H	3.626	0.010
406	1	48	SER	CA	C	57.533	0.000
407	1	48	SER	CB	C	62.867	0.000
408	1	48	SER	N	N	121.164	0.000
409	1	49	VAL	H	H	8.637	0.000
410	1	49	VAL	HA	H	4.730	0.000
411	1	49	VAL	HB	H	2.121	0.000
412	1	49	VAL	HG11	H	0.713	0.000
413	1	49	VAL	HG12	H	0.713	0.000
414	1	49	VAL	HG13	H	0.713	0.000
415	1	49	VAL	HG21	H	0.783	0.000
416	1	49	VAL	HG22	H	0.783	0.000
417	1	49	VAL	HG23	H	0.783	0.000
418	1	49	VAL	CA	C	57.468	0.010
419	1	49	VAL	CB	C	34.115	0.000
420	1	49	VAL	CG1	C	18.975	0.000
421	1	49	VAL	CG2	C	23.244	0.000
422	1	49	VAL	N	N	120.895	0.000
423	1	50	PRO	HG2	H	1.694	0.000
424	1	50	PRO	HG3	H	2.043	0.010
425	1	50	PRO	HD2	H	3.374	0.000
426	1	50	PRO	HD3	H	3.525	0.000
427	1	50	PRO	CG	C	27.913	0.010
428	1	50	PRO	CD	C	51.021	0.000
429	1	51	VAL	H	H	8.070	0.000
430	1	51	VAL	HA	H	3.468	0.000
431	1	51	VAL	HB	H	1.695	0.000
432	1	51	VAL	HG11	H	0.595	0.000
433	1	51	VAL	HG12	H	0.595	0.000
434	1	51	VAL	HG13	H	0.595	0.000
435	1	51	VAL	HG21	H	0.622	0.000
436	1	51	VAL	HG22	H	0.622	0.000
437	1	51	VAL	HG23	H	0.622	0.000
438	1	51	VAL	CA	C	63.971	0.000
439	1	51	VAL	CB	C	31.547	0.000
440	1	51	VAL	CG1	C	20.344	0.000
441	1	51	VAL	CG2	C	20.435	0.000
442	1	51	VAL	N	N	120.943	0.000
443	1	52	ASN	H	H	8.624	0.000
444	1	52	ASN	HA	H	4.552	0.000
445	1	52	ASN	HB2	H	2.863	0.000
446	1	52	ASN	HB3	H	3.255	0.000
447	1	52	ASN	HD21	H	7.314	0.010
448	1	52	ASN	HD22	H	7.312	0.010
449	1	52	ASN	CA	C	52.470	0.000
450	1	52	ASN	CB	C	41.510	0.000
451	1	52	ASN	N	N	117.483	0.000
452	1	52	ASN	ND2	N	113.689	0.000
453	1	53	SER	H	H	7.664	0.000
454	1	53	SER	HA	H	4.596	0.000
455	1	53	SER	HB2	H	3.834	0.010
456	1	53	SER	HB3	H	3.876	0.000
457	1	53	SER	HG	H	4.776	0.010
458	1	53	SER	CA	C	58.903	0.000
459	1	53	SER	CB	C	65.172	0.000
460	1	53	SER	N	N	114.108	0.000
461	1	54	THR	H	H	8.810	0.000
462	1	54	THR	HA	H	4.827	0.010
463	1	54	THR	HB	H	3.993	0.000
464	1	54	THR	HG21	H	1.084	0.000
465	1	54	THR	HG22	H	1.084	0.000
466	1	54	THR	HG23	H	1.084	0.000
467	1	54	THR	CA	C	60.609	0.010
468	1	54	THR	CB	C	71.497	0.000
469	1	54	THR	CG2	C	21.731	0.000
470	1	54	THR	N	N	113.370	0.000
471	1	55	LEU	H	H	9.311	0.000
472	1	55	LEU	HA	H	5.243	0.000
473	1	55	LEU	HB2	H	1.572	0.000
474	1	55	LEU	HB3	H	0.965	0.000
475	1	55	LEU	HG	H	0.709	0.010
476	1	55	LEU	HD11	H	-0.106	0.000
477	1	55	LEU	HD12	H	-0.106	0.000
478	1	55	LEU	HD13	H	-0.106	0.000
479	1	55	LEU	HD21	H	0.656	0.000
480	1	55	LEU	HD22	H	0.656	0.000
481	1	55	LEU	HD23	H	0.656	0.000
482	1	55	LEU	CA	C	52.617	0.000
483	1	55	LEU	CB	C	44.259	0.000
484	1	55	LEU	CG	C	23.920	0.010
485	1	55	LEU	CD1	C	20.523	0.000
486	1	55	LEU	CD2	C	24.004	0.000
487	1	55	LEU	N	N	122.170	0.000
488	1	56	LYS	H	H	9.148	0.000
489	1	56	LYS	HA	H	5.244	0.000
490	1	56	LYS	HB2	H	1.432	0.000
491	1	56	LYS	HB3	H	1.617	0.000
492	1	56	LYS	HG2	H	1.142	0.000
493	1	56	LYS	HG3	H	1.212	0.000
494	1	56	LYS	HD3	H	1.413	0.010
495	1	56	LYS	HE2	H	2.727	0.000
496	1	56	LYS	HE3	H	2.975	0.010
497	1	56	LYS	CA	C	54.637	0.000
498	1	56	LYS	CB	C	34.835	0.000
499	1	56	LYS	CG	C	24.915	0.000
500	1	56	LYS	CD	C	25.488	0.010
501	1	56	LYS	CE	C	42.030	0.000
502	1	56	LYS	N	N	122.214	0.000
503	1	57	ILE	H	H	9.246	0.000
504	1	57	ILE	HA	H	5.338	0.000
505	1	57	ILE	HB	H	1.678	0.000
506	1	57	ILE	HG12	H	0.887	0.000
507	1	57	ILE	HG13	H	1.287	0.000
508	1	57	ILE	HG21	H	0.640	0.000
509	1	57	ILE	HG22	H	0.640	0.000
510	1	57	ILE	HG23	H	0.640	0.000
511	1	57	ILE	HD11	H	-0.126	0.010
512	1	57	ILE	HD12	H	-0.126	0.010
513	1	57	ILE	HD13	H	-0.126	0.010
514	1	57	ILE	CA	C	60.404	0.000
515	1	57	ILE	CB	C	39.427	0.000
516	1	57	ILE	CG1	C	29.527	0.000
517	1	57	ILE	CG2	C	19.124	0.000
518	1	57	ILE	CD1	C	18.081	0.010
519	1	57	ILE	N	N	131.087	0.000
520	1	58	THR	H	H	8.595	0.000
521	1	58	THR	HA	H	4.936	0.000
522	1	58	THR	HB	H	4.031	0.000
523	1	58	THR	HG1	H	4.782	0.000
524	1	58	THR	HG21	H	1.118	0.000
525	1	58	THR	HG22	H	1.118	0.000
526	1	58	THR	HG23	H	1.118	0.000
527	1	58	THR	CA	C	59.153	0.000
528	1	58	THR	CB	C	72.625	0.000
529	1	58	THR	CG2	C	22.111	0.000
530	1	58	THR	N	N	115.234	0.000
531	1	59	TYR	H	H	8.834	0.000
532	1	59	TYR	HA	H	4.525	0.000
533	1	59	TYR	HB2	H	2.218	0.000
534	1	59	TYR	HB3	H	2.844	0.000
535	1	59	TYR	HD1	H	6.944	0.000
536	1	59	TYR	HD2	H	6.945	0.010
537	1	59	TYR	HE1	H	6.945	0.000
538	1	59	TYR	HE2	H	6.948	0.000
539	1	59	TYR	CB	C	41.196	0.000
540	1	59	TYR	N	N	121.964	0.000
541	1	60	ILE	H	H	7.138	0.000
542	1	60	ILE	HA	H	3.850	0.000
543	1	60	ILE	HB	H	1.493	0.000
544	1	60	ILE	HG12	H	1.025	0.000
545	1	60	ILE	HG13	H	1.356	0.000
546	1	60	ILE	HG21	H	0.541	0.000
547	1	60	ILE	HG22	H	0.541	0.000
548	1	60	ILE	HG23	H	0.541	0.000
549	1	60	ILE	HD11	H	0.818	0.000
550	1	60	ILE	HD12	H	0.818	0.000
551	1	60	ILE	HD13	H	0.818	0.000
552	1	60	ILE	CA	C	62.263	0.000
553	1	60	ILE	CB	C	37.891	0.000
554	1	60	ILE	CG1	C	28.322	0.000
555	1	60	ILE	CG2	C	16.102	0.000
556	1	60	ILE	CD1	C	13.334	0.000
557	1	60	ILE	N	N	127.853	0.000
558	1	61	GLY	H	H	8.627	0.000
559	1	61	GLY	HA2	H	3.628	0.000
560	1	61	GLY	HA3	H	4.169	0.000
561	1	61	GLY	CA	C	44.772	0.000
562	1	61	GLY	N	N	113.106	0.000
563	1	62	TYR	H	H	8.571	0.000
564	1	62	TYR	HA	H	4.995	0.010
565	1	62	TYR	HB2	H	3.024	0.000
566	1	62	TYR	HB3	H	2.803	0.000
567	1	62	TYR	HD1	H	6.957	0.000
568	1	62	TYR	HD2	H	6.958	0.010
569	1	62	TYR	HE1	H	6.964	0.000
570	1	62	TYR	HE2	H	6.964	0.010
571	1	62	TYR	CB	C	41.204	0.000
572	1	62	TYR	N	N	120.354	0.000
573	1	63	LYS	H	H	9.233	0.000
574	1	63	LYS	HA	H	4.580	0.000
575	1	63	LYS	HB2	H	1.919	0.000
576	1	63	LYS	HB3	H	1.972	0.000
577	1	63	LYS	HG2	H	1.404	0.000
578	1	63	LYS	HG3	H	1.405	0.000
579	1	63	LYS	HD2	H	1.405	0.010
580	1	63	LYS	HD3	H	1.668	0.010
581	1	63	LYS	HE2	H	3.040	0.000
582	1	63	LYS	HE3	H	3.040	0.000
583	1	63	LYS	CA	C	54.999	0.000
584	1	63	LYS	CB	C	31.819	0.000
585	1	63	LYS	CG	C	25.728	0.000
586	1	63	LYS	CD	C	25.697	0.010
587	1	63	LYS	CE	C	42.251	0.000
588	1	63	LYS	N	N	125.728	0.000
589	1	64	PRO	HA	H	4.028	0.000
590	1	64	PRO	HB2	H	1.799	0.010
591	1	64	PRO	HB3	H	2.231	0.000
592	1	64	PRO	HG2	H	2.088	0.010
593	1	64	PRO	HG3	H	2.091	0.000
594	1	64	PRO	HD2	H	3.736	0.000
595	1	64	PRO	HD3	H	4.025	0.000
596	1	64	PRO	CA	C	62.493	0.000
597	1	64	PRO	CB	C	32.909	0.000
598	1	64	PRO	CG	C	27.413	0.000
599	1	64	PRO	CD	C	50.571	0.000
600	1	65	VAL	H	H	8.306	0.000
601	1	65	VAL	HA	H	4.612	0.000
602	1	65	VAL	HB	H	1.869	0.000
603	1	65	VAL	HG11	H	0.960	0.000
604	1	65	VAL	HG12	H	0.960	0.000
605	1	65	VAL	HG13	H	0.960	0.000
606	1	65	VAL	HG21	H	0.596	0.000
607	1	65	VAL	HG22	H	0.596	0.000
608	1	65	VAL	HG23	H	0.596	0.000
609	1	65	VAL	CA	C	60.526	0.000
610	1	65	VAL	CB	C	36.353	0.000
611	1	65	VAL	CG1	C	21.964	0.010
612	1	65	VAL	N	N	118.440	0.000
613	1	66	THR	H	H	8.178	0.000
614	1	66	THR	HA	H	5.628	0.000
615	1	66	THR	HB	H	3.909	0.000
616	1	66	THR	HG21	H	1.076	0.000
617	1	66	THR	HG22	H	1.076	0.000
618	1	66	THR	HG23	H	1.076	0.000
619	1	66	THR	CA	C	60.223	0.000
620	1	66	THR	CB	C	70.279	0.000
621	1	66	THR	CG2	C	21.414	0.000
622	1	66	THR	N	N	119.075	0.000
623	1	67	VAL	H	H	9.080	0.000
624	1	67	VAL	HA	H	4.716	0.000
625	1	67	VAL	HB	H	2.032	0.000
626	1	67	VAL	HG11	H	0.817	0.000
627	1	67	VAL	HG12	H	0.817	0.000
628	1	67	VAL	HG13	H	0.817	0.000
629	1	67	VAL	HG21	H	0.821	0.000
630	1	67	VAL	HG22	H	0.821	0.000
631	1	67	VAL	HG23	H	0.821	0.000
632	1	67	VAL	CB	C	35.592	0.000
633	1	67	VAL	CG1	C	20.024	0.000
634	1	67	VAL	CG2	C	21.175	0.000
635	1	67	VAL	N	N	120.819	0.000
636	1	68	LYS	H	H	8.527	0.000
637	1	68	LYS	HA	H	4.221	0.000
638	1	68	LYS	HB2	H	1.516	0.010
639	1	68	LYS	HB3	H	1.788	0.000
640	1	68	LYS	HG2	H	1.111	0.010
641	1	68	LYS	HG3	H	1.123	0.010
642	1	68	LYS	HD2	H	1.795	0.000
643	1	68	LYS	HD3	H	2.230	0.010
644	1	68	LYS	HE2	H	2.714	0.000
645	1	68	LYS	HE3	H	2.720	0.000
646	1	68	LYS	CA	C	56.845	0.000
647	1	68	LYS	CB	C	32.661	0.000
648	1	68	LYS	CG	C	21.915	0.010
649	1	68	LYS	CE	C	41.824	0.000
650	1	68	LYS	N	N	124.745	0.000
651	1	69	ALA	H	H	8.326	0.000
652	1	69	ALA	HA	H	3.881	0.000
653	1	69	ALA	HB1	H	1.224	0.000
654	1	69	ALA	HB2	H	1.224	0.000
655	1	69	ALA	HB3	H	1.224	0.000
656	1	69	ALA	CA	C	53.031	0.000
657	1	69	ALA	CB	C	19.204	0.000
658	1	69	ALA	N	N	125.279	0.000
659	1	70	ALA	H	H	6.722	0.000
660	1	70	ALA	HA	H	4.022	0.000
661	1	70	ALA	HB1	H	1.343	0.000
662	1	70	ALA	HB2	H	1.343	0.000
663	1	70	ALA	HB3	H	1.343	0.000
664	1	70	ALA	CA	C	50.534	0.000
665	1	70	ALA	CB	C	21.412	0.000
666	1	70	ALA	N	N	122.536	0.000
667	1	71	ALA	H	H	8.626	0.000
668	1	71	ALA	HA	H	4.025	0.000
669	1	71	ALA	HB1	H	1.462	0.000
670	1	71	ALA	HB2	H	1.462	0.000
671	1	71	ALA	HB3	H	1.462	0.000
672	1	71	ALA	CA	C	55.930	0.000
673	1	71	ALA	CB	C	18.158	0.000
674	1	71	ALA	N	N	122.801	0.000
675	1	72	ILE	H	H	7.370	0.000
676	1	72	ILE	HA	H	4.998	0.000
677	1	72	ILE	HB	H	1.626	0.000
678	1	72	ILE	HG12	H	1.039	0.000
679	1	72	ILE	HG13	H	1.408	0.000
680	1	72	ILE	HG21	H	0.731	0.010
681	1	72	ILE	HG22	H	0.731	0.010
682	1	72	ILE	HG23	H	0.731	0.010
683	1	72	ILE	HD11	H	0.803	0.010
684	1	72	ILE	HD12	H	0.803	0.010
685	1	72	ILE	HD13	H	0.803	0.010
686	1	72	ILE	CA	C	59.097	0.000
687	1	72	ILE	CB	C	40.535	0.000
688	1	72	ILE	CG1	C	27.166	0.000
689	1	72	ILE	CG2	C	17.242	0.010
690	1	72	ILE	CD1	C	12.554	0.010
691	1	72	ILE	N	N	114.786	0.000
692	1	73	VAL	H	H	8.284	0.000
693	1	73	VAL	HA	H	4.994	0.000
694	1	73	VAL	HB	H	1.755	0.000
695	1	73	VAL	HG11	H	0.863	0.010
696	1	73	VAL	HG12	H	0.863	0.010
697	1	73	VAL	HG13	H	0.863	0.010
698	1	73	VAL	HG21	H	1.061	0.000
699	1	73	VAL	HG22	H	1.061	0.000
700	1	73	VAL	HG23	H	1.061	0.000
701	1	73	VAL	CB	C	35.040	0.000
702	1	73	VAL	CG1	C	21.259	0.010
703	1	73	VAL	CG2	C	22.695	0.000
704	1	73	VAL	N	N	124.969	0.000
705	1	74	ASN	H	H	8.649	0.000
706	1	74	ASN	HA	H	5.494	0.000
707	1	74	ASN	HB2	H	2.587	0.000
708	1	74	ASN	HB3	H	2.587	0.000
709	1	74	ASN	HD21	H	7.458	0.000
710	1	74	ASN	HD22	H	6.454	0.000
711	1	74	ASN	CA	C	52.403	0.000
712	1	74	ASN	CB	C	39.992	0.000
713	1	74	ASN	N	N	125.426	0.000
714	1	74	ASN	ND2	N	112.279	0.000
715	1	75	VAL	H	H	9.002	0.000
716	1	75	VAL	HA	H	4.323	0.000
717	1	75	VAL	HB	H	2.015	0.000
718	1	75	VAL	HG11	H	0.858	0.000
719	1	75	VAL	HG12	H	0.858	0.000
720	1	75	VAL	HG13	H	0.858	0.000
721	1	75	VAL	HG21	H	0.597	0.010
722	1	75	VAL	HG22	H	0.597	0.010
723	1	75	VAL	HG23	H	0.597	0.010
724	1	75	VAL	CA	C	61.076	0.000
725	1	75	VAL	CB	C	35.552	0.000
726	1	75	VAL	CG1	C	21.533	0.010
727	1	75	VAL	N	N	123.313	0.000
728	1	76	LEU	H	H	8.585	0.000
729	1	76	LEU	HA	H	5.243	0.000
730	1	76	LEU	HB2	H	1.052	0.000
731	1	76	LEU	HB3	H	1.671	0.000
732	1	76	LEU	HG	H	1.497	0.000
733	1	76	LEU	HD11	H	1.059	0.010
734	1	76	LEU	HD12	H	1.059	0.010
735	1	76	LEU	HD13	H	1.059	0.010
736	1	76	LEU	HD21	H	0.739	0.000
737	1	76	LEU	HD22	H	0.739	0.000
738	1	76	LEU	HD23	H	0.739	0.000
739	1	76	LEU	CA	C	52.824	0.000
740	1	76	LEU	CB	C	43.478	0.000
741	1	76	LEU	CG	C	27.229	0.000
742	1	76	LEU	CD1	C	24.792	0.000
743	1	76	LEU	CD2	C	25.206	0.000
744	1	76	LEU	N	N	129.984	0.000
745	1	77	LEU	H	H	8.827	0.000
746	1	77	LEU	HA	H	4.841	0.000
747	1	77	LEU	HB2	H	1.511	0.000
748	1	77	LEU	HB3	H	1.058	0.000
749	1	77	LEU	HG	H	1.491	0.000
750	1	77	LEU	HD11	H	0.573	0.000
751	1	77	LEU	HD12	H	0.573	0.000
752	1	77	LEU	HD13	H	0.573	0.000
753	1	77	LEU	HD21	H	0.562	0.000
754	1	77	LEU	HD22	H	0.562	0.000
755	1	77	LEU	HD23	H	0.562	0.000
756	1	77	LEU	CB	C	44.463	0.000
757	1	77	LEU	CG	C	27.249	0.000
758	1	77	LEU	CD1	C	24.062	0.010
759	1	77	LEU	CD2	C	24.985	0.000
760	1	77	LEU	N	N	124.396	0.000
761	1	78	GLU	HA	H	4.774	0.000
762	1	78	GLU	HB2	H	2.003	0.000
763	1	78	GLU	HB3	H	2.059	0.000
764	1	78	GLU	HG2	H	2.297	0.010
765	1	78	GLU	HG3	H	2.297	0.000
766	1	78	GLU	CB	C	32.907	0.000
767	1	78	GLU	CG	C	36.897	0.000
768	1	78	GLU	N	N	125.939	0.000
769	1	79	GLU	H	H	9.147	0.000
770	1	79	GLU	HA	H	3.486	0.000
771	1	79	GLU	HB2	H	1.734	0.000
772	1	79	GLU	HB3	H	1.734	0.000
773	1	79	GLU	HG2	H	1.796	0.000
774	1	79	GLU	HG3	H	2.008	0.000
775	1	79	GLU	CA	C	57.827	0.000
776	1	79	GLU	CB	C	30.265	0.000
777	1	79	GLU	CG	C	37.482	0.000
778	1	79	GLU	N	N	125.635	0.000
779	1	80	ASP	H	H	8.410	0.000
780	1	80	ASP	HA	H	4.586	0.000
781	1	80	ASP	HB2	H	2.058	0.000
782	1	80	ASP	HB3	H	2.522	0.000
783	1	80	ASP	CA	C	53.065	0.000
784	1	80	ASP	CB	C	40.905	0.000
785	1	80	ASP	N	N	122.724	0.000
786	1	81	THR	H	H	7.965	0.000
787	1	81	THR	HA	H	4.216	0.000
788	1	81	THR	HB	H	4.199	0.000
789	1	81	THR	HG1	H	4.203	0.010
790	1	81	THR	HG21	H	1.126	0.000
791	1	81	THR	HG22	H	1.126	0.000
792	1	81	THR	HG23	H	1.126	0.000
793	1	81	THR	CA	C	61.630	0.000
794	1	81	THR	CB	C	69.556	0.000
795	1	81	THR	CG2	C	21.675	0.000
796	1	81	THR	N	N	115.364	0.000
797	1	82	GLN	H	H	8.368	0.000
798	1	82	GLN	HA	H	4.271	0.000
799	1	82	GLN	HB2	H	1.979	0.000
800	1	82	GLN	HB3	H	2.060	0.000
801	1	82	GLN	HG2	H	2.297	0.000
802	1	82	GLN	HG3	H	2.297	0.000
803	1	82	GLN	HE21	H	6.795	0.000
804	1	82	GLN	HE22	H	7.595	0.000
805	1	82	GLN	CA	C	55.866	0.000
806	1	82	GLN	CB	C	29.345	0.000
807	1	82	GLN	CG	C	33.869	0.000
808	1	82	GLN	N	N	122.507	0.000
809	1	82	GLN	NE2	N	113.129	0.000
810	1	83	MET	H	H	8.361	0.000
811	1	83	MET	HA	H	4.443	0.000
812	1	83	MET	HB2	H	2.025	0.000
813	1	83	MET	HB3	H	2.034	0.000
814	1	83	MET	HG2	H	2.497	0.010
815	1	83	MET	HG3	H	2.539	0.000
816	1	83	MET	HE1	H	2.054	0.010
817	1	83	MET	HE2	H	2.054	0.010
818	1	83	MET	HE3	H	2.054	0.010
819	1	83	MET	CA	C	55.495	0.000
820	1	83	MET	CB	C	32.686	0.000
821	1	83	MET	CG	C	31.952	0.000
822	1	83	MET	CE	C	17.013	0.000
823	1	83	MET	N	N	122.448	0.000
824	1	84	VAL	H	H	8.160	0.000
825	1	84	VAL	HA	H	4.130	0.000
826	1	84	VAL	HB	H	2.041	0.000
827	1	84	VAL	HG11	H	0.898	0.000
828	1	84	VAL	HG12	H	0.898	0.000
829	1	84	VAL	HG13	H	0.898	0.000
830	1	84	VAL	HG21	H	0.893	0.000
831	1	84	VAL	HG22	H	0.893	0.000
832	1	84	VAL	HG23	H	0.893	0.000
833	1	84	VAL	CA	C	62.195	0.000
834	1	84	VAL	CB	C	32.810	0.000
835	1	84	VAL	CG1	C	20.332	0.000
836	1	84	VAL	CG2	C	20.325	0.010
837	1	84	VAL	N	N	121.502	0.000
838	1	85	ASP	H	H	8.354	0.000
839	1	85	ASP	HA	H	4.564	0.000
840	1	85	ASP	HB2	H	2.532	0.000
841	1	85	ASP	HB3	H	2.659	0.000
842	1	85	ASP	CA	C	54.358	0.000
843	1	85	ASP	CB	C	41.295	0.000
844	1	85	ASP	N	N	124.223	0.000
845	1	86	GLU	H	H	8.273	0.000
846	1	86	GLU	HA	H	4.239	0.000
847	1	86	GLU	HB2	H	1.900	0.000
848	1	86	GLU	HB3	H	1.997	0.000
849	1	86	GLU	HG2	H	2.176	0.010
850	1	86	GLU	HG3	H	2.179	0.000
851	1	86	GLU	CA	C	56.451	0.000
852	1	86	GLU	CB	C	30.509	0.000
853	1	86	GLU	CG	C	36.201	0.000
854	1	86	GLU	N	N	121.554	0.000
855	1	87	VAL	H	H	8.219	0.000
856	1	87	VAL	HA	H	4.036	0.010
857	1	87	VAL	HB	H	2.005	0.000
858	1	87	VAL	HG11	H	0.886	0.010
859	1	87	VAL	HG12	H	0.886	0.010
860	1	87	VAL	HG13	H	0.886	0.010
861	1	87	VAL	HG21	H	1.240	0.000
862	1	87	VAL	HG22	H	1.240	0.000
863	1	87	VAL	HG23	H	1.240	0.000
864	1	87	VAL	CA	C	62.494	0.010
865	1	87	VAL	CB	C	32.729	0.000
866	1	87	VAL	CG1	C	21.112	0.010
867	1	87	VAL	CG2	C	22.751	0.010
868	1	87	VAL	N	N	122.688	0.000
869	1	88	VAL	H	H	8.267	0.000
870	1	88	VAL	HA	H	4.035	0.010
871	1	88	VAL	HB	H	2.007	0.000
872	1	88	VAL	HG11	H	0.880	0.010
873	1	88	VAL	HG12	H	0.880	0.010
874	1	88	VAL	HG13	H	0.880	0.010
875	1	88	VAL	HG21	H	0.879	0.010
876	1	88	VAL	HG22	H	0.879	0.010
877	1	88	VAL	HG23	H	0.879	0.010
878	1	88	VAL	CA	C	62.393	0.000
879	1	88	VAL	CB	C	32.736	0.000
880	1	88	VAL	CG1	C	21.140	0.010
881	1	88	VAL	CG2	C	24.086	0.010
882	1	88	VAL	N	N	125.799	0.000
883	1	89	VAL	H	H	8.363	0.000
884	1	89	VAL	HA	H	4.101	0.000
885	1	89	VAL	HB	H	2.038	0.000
886	1	89	VAL	HG11	H	0.892	0.010
887	1	89	VAL	HG12	H	0.892	0.010
888	1	89	VAL	HG13	H	0.892	0.010
889	1	89	VAL	HG21	H	1.138	0.010
890	1	89	VAL	HG22	H	1.138	0.010
891	1	89	VAL	HG23	H	1.138	0.010
892	1	89	VAL	CA	C	62.100	0.000
893	1	89	VAL	CB	C	32.814	0.000
894	1	89	VAL	CG1	C	20.879	0.010
895	1	89	VAL	CG2	C	21.267	0.010
896	1	89	VAL	N	N	125.597	0.000
897	1	90	THR	H	H	8.249	0.000
898	1	90	THR	HA	H	4.298	0.010
899	1	90	THR	HB	H	4.114	0.000
900	1	90	THR	HG1	H	4.518	0.010
901	1	90	THR	HG21	H	1.143	0.010
902	1	90	THR	HG22	H	1.143	0.010
903	1	90	THR	HG23	H	1.143	0.010
904	1	90	THR	CA	C	61.972	0.000
905	1	90	THR	CB	C	69.732	0.000
906	1	90	THR	CG2	C	22.900	0.010
907	1	90	THR	N	N	118.439	0.000
908	1	91	GLY	H	H	8.284	0.000
909	1	91	GLY	HA2	H	3.887	0.010
910	1	91	GLY	HA3	H	4.287	0.010
911	1	91	GLY	CA	C	45.084	0.000
912	1	91	GLY	N	N	111.051	0.000
913	1	92	TYR	H	H	8.075	0.000
914	1	92	TYR	HA	H	4.787	0.010
915	1	92	TYR	HB2	H	2.903	0.000
916	1	92	TYR	HB3	H	3.116	0.000
917	1	92	TYR	HD1	H	7.524	0.010
918	1	92	TYR	HE1	H	7.301	0.010
919	1	92	TYR	HE2	H	7.301	0.010
920	1	92	TYR	CA	C	57.741	0.010
921	1	92	TYR	CB	C	38.784	0.000
922	1	92	TYR	N	N	120.089	0.000
923	1	93	THR	H	H	7.730	0.000
924	1	93	THR	HA	H	4.457	0.010
925	1	93	THR	HB	H	4.185	0.010
926	1	93	THR	HG1	H	7.911	0.010
927	1	93	THR	HG21	H	0.964	0.010
928	1	93	THR	HG22	H	0.964	0.010
929	1	93	THR	HG23	H	0.964	0.010
930	1	93	THR	CA	C	63.021	0.000
931	1	93	THR	CB	C	70.536	0.010
932	1	93	THR	CG2	C	21.704	0.000
933	1	93	THR	N	N	120.531	0.000

Protein Blocks Logo

Calculated from 20 models in PDB: 6YTC, Strand ID: A Detail

Release date

2020-06-29

Citation

Insights into SusCD-mediated glycan import by a prominent gut symbiont
Gray, D.A., White, J., Oluwole, A.O., Rath, P., Glenwright, A.J., Mazur, A., Zahn, M., Basle, A., Morland, C., Evans, S.L., Cartmell, A., Robinson, C.V., Hiller, S., Ranson, N.A., Bolam, D.N., van den Berg, B.
Nat. Commun. (2021), 12, 44-44, PubMed 33398001 , DOI 10.1038/s41467-020-20285-y , Abstract

Related entities 1. TonB-dependent receptor, : 1 : 2 : 8 entities Detail

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5, Details 1 mM U-15N, 13C-NTE Isolated NTE domain of BT1762-63 levan transporter, 1 mM U-15N, 13C-NTE Isolated NTE domain of BT1762-63 levan transporter_2, 1 mM U-15N, 13C-NTE Isolated NTE domain of BT1762-63 levan transporter_3, 1 mM U-15N, 13C-NTE Isolated NTE domain of BT1762-63 levan transporter_4, 1 mM U-15N, 13C-NTE Isolated NTE domain of BT1762-63 levan transporter_5, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	Isolated NTE domain of BT1762-63 levan transporter	[U-15N; U-13C]	1 mM
2	Isolated NTE domain of BT1762-63 levan transporter_2	[U-15N; U-13C]	1 mM
3	Isolated NTE domain of BT1762-63 levan transporter_3	[U-15N; U-13C]	1 mM
4	Isolated NTE domain of BT1762-63 levan transporter_4	[U-15N; U-13C]	1 mM
5	Isolated NTE domain of BT1762-63 levan transporter_5	[U-15N; U-13C]	1 mM
6	sodium phosphate	natural abundance	20 mM
7	NaCl	natural abundance	150 mM

2 3D HNCA

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Isolated NTE domain of BT1762-63 levan transporter	[U-15N; U-13C]	1 mM
2	Isolated NTE domain of BT1762-63 levan transporter_2	[U-15N; U-13C]	1 mM
3	Isolated NTE domain of BT1762-63 levan transporter_3	[U-15N; U-13C]	1 mM
4	Isolated NTE domain of BT1762-63 levan transporter_4	[U-15N; U-13C]	1 mM
5	Isolated NTE domain of BT1762-63 levan transporter_5	[U-15N; U-13C]	1 mM
6	sodium phosphate	natural abundance	20 mM
7	NaCl	natural abundance	150 mM

3 3D HNCACB

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Isolated NTE domain of BT1762-63 levan transporter	[U-15N; U-13C]	1 mM
2	Isolated NTE domain of BT1762-63 levan transporter_2	[U-15N; U-13C]	1 mM
3	Isolated NTE domain of BT1762-63 levan transporter_3	[U-15N; U-13C]	1 mM
4	Isolated NTE domain of BT1762-63 levan transporter_4	[U-15N; U-13C]	1 mM
5	Isolated NTE domain of BT1762-63 levan transporter_5	[U-15N; U-13C]	1 mM
6	sodium phosphate	natural abundance	20 mM
7	NaCl	natural abundance	150 mM

4 3D CBCA(CO)NH

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Isolated NTE domain of BT1762-63 levan transporter	[U-15N; U-13C]	1 mM
2	Isolated NTE domain of BT1762-63 levan transporter_2	[U-15N; U-13C]	1 mM
3	Isolated NTE domain of BT1762-63 levan transporter_3	[U-15N; U-13C]	1 mM
4	Isolated NTE domain of BT1762-63 levan transporter_4	[U-15N; U-13C]	1 mM
5	Isolated NTE domain of BT1762-63 levan transporter_5	[U-15N; U-13C]	1 mM
6	sodium phosphate	natural abundance	20 mM
7	NaCl	natural abundance	150 mM

5 3D 1H-15N NOESY

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Isolated NTE domain of BT1762-63 levan transporter	[U-15N; U-13C]	1 mM
2	Isolated NTE domain of BT1762-63 levan transporter_2	[U-15N; U-13C]	1 mM
3	Isolated NTE domain of BT1762-63 levan transporter_3	[U-15N; U-13C]	1 mM
4	Isolated NTE domain of BT1762-63 levan transporter_4	[U-15N; U-13C]	1 mM
5	Isolated NTE domain of BT1762-63 levan transporter_5	[U-15N; U-13C]	1 mM
6	sodium phosphate	natural abundance	20 mM
7	NaCl	natural abundance	150 mM

6 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Isolated NTE domain of BT1762-63 levan transporter	[U-15N; U-13C]	1 mM
2	Isolated NTE domain of BT1762-63 levan transporter_2	[U-15N; U-13C]	1 mM
3	Isolated NTE domain of BT1762-63 levan transporter_3	[U-15N; U-13C]	1 mM
4	Isolated NTE domain of BT1762-63 levan transporter_4	[U-15N; U-13C]	1 mM
5	Isolated NTE domain of BT1762-63 levan transporter_5	[U-15N; U-13C]	1 mM
6	sodium phosphate	natural abundance	20 mM
7	NaCl	natural abundance	150 mM

7 2D 1H-13C HSQC

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Isolated NTE domain of BT1762-63 levan transporter	[U-15N; U-13C]	1 mM
2	Isolated NTE domain of BT1762-63 levan transporter_2	[U-15N; U-13C]	1 mM
3	Isolated NTE domain of BT1762-63 levan transporter_3	[U-15N; U-13C]	1 mM
4	Isolated NTE domain of BT1762-63 levan transporter_4	[U-15N; U-13C]	1 mM
5	Isolated NTE domain of BT1762-63 levan transporter_5	[U-15N; U-13C]	1 mM
6	sodium phosphate	natural abundance	20 mM
7	NaCl	natural abundance	150 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34514_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

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

None

Non-standard residues

None

Content subtype: bmr34514_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	933		91.4 (chain: 1, length: 93)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: 1, Chain length: 93, Sequence coverage: 91.4%

--------10--------20--------30--------40--------50--------60--------70--------80--------90---
MGHHHHHHTKGNVTSKTDGQPIIGASVVETTATTNGTITDFDGNFTLSVPVNSTLKITYIGYKPVTVKAAAIVNVLLEEDTQMVDEVVVTGYT
        |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
........TKGNVTSKTDGQPIIGASVVETTATTNGTITDFDGNFTLSVPVNSTLKITYIGYKPVTVKAAAIVNVLLEEDTQMVDEVVVTGYT

Total number of assignments
- ¹H chemical shifts: 599
- ¹³C chemical shifts: 245
- ¹⁵N chemical shifts: 89

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
9	THR	HG1	4.052
14	THR	HG1	1.493
15	SER	HG	8.523
17	THR	HG1	4.779
26	SER	HG	4.768
30	THR	HG1	4.783
31	THR	HG1	4.78
33	THR	HG1	4.124
34	THR	HG1	4.777
37	THR	HG1	8.115
39	THR	HG1	6.876
46	THR	HG1	2.909
48	SER	HG	3.626
53	SER	HG	4.776
58	THR	HG1	4.782
81	THR	HG1	4.203
90	THR	HG1	4.518
93	THR	HG1	7.911

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	507	449	88.6
¹³C chemical shifts	408	245	60.0
¹⁵N chemical shifts	97	89	91.8

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	191	171	89.5
¹³C chemical shifts	186	73	39.2
¹⁵N chemical shifts	90	82	91.1

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	316	278	88.0
¹³C chemical shifts	222	172	77.5
¹⁵N chemical shifts	7	7	100.0

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	69	66	95.7
¹³C chemical shifts	69	64	92.8

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	34	20	58.8
¹³C chemical shifts	34	0	0.0

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

Keywords Glycan import, Ig-like fold, N-terminal Domain, PROTEIN TRANSPORT, Transporter

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Found 1 Document (0.719 seconds)

BMRB: 34514

Related entities 1. TonB-dependent receptor, : 1 : 2 : 8 entities Detail

Experiments performed 7 experiments Detail

Instrument

Sample

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Chemical shift validation 3 contents Detail