BMRBj - BMREntryMaster

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Ambig. code
1	1	4	PRO	HA	H	4.391	1
2	1	4	PRO	HB2	H	2.275	2
3	1	4	PRO	HB3	H	1.895	2
4	1	4	PRO	HG2	H	2.018	1
5	1	4	PRO	HG3	H	2.018	1
6	1	4	PRO	HD2	H	3.803	2
7	1	4	PRO	HD3	H	3.668	2
8	1	4	PRO	C	C	176.214	1
9	1	4	PRO	CA	C	62.913	1
10	1	4	PRO	CB	C	32.140	1
11	1	4	PRO	CG	C	27.391	1
12	1	4	PRO	CD	C	50.617	1
13	1	5	ALA	H	H	8.373	1
14	1	5	ALA	HA	H	4.287	1
15	1	5	ALA	HB1	H	1.358	1
16	1	5	ALA	HB2	H	1.358	1
17	1	5	ALA	HB3	H	1.358	1
18	1	5	ALA	C	C	177.622	1
19	1	5	ALA	CA	C	52.366	1
20	1	5	ALA	CB	C	19.462	1
21	1	5	ALA	N	N	124.106	1
22	1	6	ILE	H	H	8.086	1
23	1	6	ILE	HA	H	4.200	1
24	1	6	ILE	HB	H	1.834	1
25	1	6	ILE	HG12	H	1.497	1
26	1	6	ILE	HG13	H	1.161	1
27	1	6	ILE	HG21	H	0.893	1
28	1	6	ILE	HG22	H	0.893	1
29	1	6	ILE	HG23	H	0.893	1
30	1	6	ILE	HD11	H	0.863	1
31	1	6	ILE	HD12	H	0.863	1
32	1	6	ILE	HD13	H	0.863	1
33	1	6	ILE	C	C	175.438	1
34	1	6	ILE	CA	C	60.797	1
35	1	6	ILE	CB	C	39.375	1
36	1	6	ILE	CG1	C	27.361	1
37	1	6	ILE	CG2	C	17.541	1
38	1	6	ILE	CD1	C	13.605	1
39	1	6	ILE	N	N	119.223	1
40	1	7	SER	H	H	8.381	1
41	1	7	SER	HA	H	4.489	1
42	1	7	SER	HB2	H	3.793	2
43	1	7	SER	HB3	H	3.734	2
44	1	7	SER	C	C	173.708	1
45	1	7	SER	CA	C	57.197	1
46	1	7	SER	CB	C	63.563	1
47	1	7	SER	N	N	120.443	1
48	1	8	LEU	H	H	8.208	1
49	1	8	LEU	HA	H	4.287	1
50	1	8	LEU	HB2	H	1.373	2
51	1	8	LEU	HB3	H	0.964	2
52	1	8	LEU	HG	H	1.412	1
53	1	8	LEU	HD11	H	0.416	1
54	1	8	LEU	HD12	H	0.416	1
55	1	8	LEU	HD13	H	0.416	1
56	1	8	LEU	HD21	H	0.553	1
57	1	8	LEU	HD22	H	0.553	1
58	1	8	LEU	HD23	H	0.553	1
59	1	8	LEU	CA	C	51.995	1
60	1	8	LEU	CB	C	43.143	1
61	1	8	LEU	CG	C	26.420	1
62	1	8	LEU	CD1	C	24.309	1
63	1	8	LEU	CD2	C	25.224	1
64	1	8	LEU	N	N	124.804	1
65	1	9	PRO	HA	H	4.479	1
66	1	9	PRO	HB2	H	2.496	2
67	1	9	PRO	HB3	H	1.955	2
68	1	9	PRO	HG2	H	2.115	1
69	1	9	PRO	HG3	H	2.115	1
70	1	9	PRO	HD2	H	3.667	2
71	1	9	PRO	HD3	H	2.775	2
72	1	9	PRO	C	C	177.502	1
73	1	9	PRO	CA	C	62.452	1
74	1	9	PRO	CB	C	32.703	1
75	1	9	PRO	CG	C	27.761	1
76	1	9	PRO	CD	C	50.859	1
77	1	10	ASP	H	H	8.925	1
78	1	10	ASP	HA	H	4.206	1
79	1	10	ASP	HB2	H	2.636	1
80	1	10	ASP	HB3	H	2.636	1
81	1	10	ASP	C	C	178.135	1
82	1	10	ASP	CA	C	58.030	1
83	1	10	ASP	CB	C	40.865	1
84	1	10	ASP	N	N	123.323	1
85	1	11	ASP	H	H	8.968	1
86	1	11	ASP	HA	H	4.301	1
87	1	11	ASP	HB2	H	2.643	1
88	1	11	ASP	HB3	H	2.643	1
89	1	11	ASP	C	C	178.410	1
90	1	11	ASP	CA	C	57.005	1
91	1	11	ASP	CB	C	40.212	1
92	1	11	ASP	N	N	116.907	1
93	1	12	VAL	H	H	7.088	1
94	1	12	VAL	HA	H	3.596	1
95	1	12	VAL	HB	H	1.891	1
96	1	12	VAL	HG11	H	1.038	1
97	1	12	VAL	HG12	H	1.038	1
98	1	12	VAL	HG13	H	1.038	1
99	1	12	VAL	HG21	H	0.794	1
100	1	12	VAL	HG22	H	0.794	1
101	1	12	VAL	HG23	H	0.794	1
102	1	12	VAL	C	C	177.109	1
103	1	12	VAL	CA	C	66.001	1
104	1	12	VAL	CB	C	31.701	1
105	1	12	VAL	CG1	C	22.982	1
106	1	12	VAL	CG2	C	21.638	1
107	1	12	VAL	N	N	120.805	1
108	1	13	ARG	H	H	7.821	1
109	1	13	ARG	HA	H	3.764	1
110	1	13	ARG	HB2	H	1.837	1
111	1	13	ARG	HB3	H	1.837	1
112	1	13	ARG	HG2	H	1.600	2
113	1	13	ARG	HG3	H	1.427	2
114	1	13	ARG	HD2	H	3.200	1
115	1	13	ARG	HD3	H	3.200	1
116	1	13	ARG	C	C	178.948	1
117	1	13	ARG	CA	C	60.377	1
118	1	13	ARG	CB	C	29.795	1
119	1	13	ARG	CG	C	28.538	1
120	1	13	ARG	CD	C	43.102	1
121	1	13	ARG	N	N	118.809	1
122	1	14	ARG	H	H	8.043	1
123	1	14	ARG	HA	H	3.962	1
124	1	14	ARG	HB2	H	1.873	1
125	1	14	ARG	HB3	H	1.873	1
126	1	14	ARG	HG2	H	1.719	1
127	1	14	ARG	HG3	H	1.580	1
128	1	14	ARG	HD2	H	3.190	1
129	1	14	ARG	HD3	H	3.190	1
130	1	14	ARG	C	C	178.327	1
131	1	14	ARG	CA	C	59.574	1
132	1	14	ARG	CB	C	29.896	1
133	1	14	ARG	CG	C	27.631	1
134	1	14	ARG	CD	C	43.210	1
135	1	14	ARG	N	N	118.603	1
136	1	15	ARG	H	H	7.658	1
137	1	15	ARG	HA	H	4.106	1
138	1	15	ARG	HB2	H	1.930	1
139	1	15	ARG	HB3	H	1.930	1
140	1	15	ARG	HG2	H	1.826	2
141	1	15	ARG	HG3	H	1.777	2
142	1	15	ARG	HD2	H	3.275	2
143	1	15	ARG	HD3	H	3.169	2
144	1	15	ARG	C	C	179.010	1
145	1	15	ARG	CA	C	58.871	1
146	1	15	ARG	CB	C	30.203	1
147	1	15	ARG	CG	C	27.931	1
148	1	15	ARG	CD	C	43.494	1
149	1	15	ARG	N	N	119.451	1
150	1	16	LEU	H	H	8.325	1
151	1	16	LEU	HA	H	3.906	1
152	1	16	LEU	HB2	H	1.854	2
153	1	16	LEU	HB3	H	1.544	2
154	1	16	LEU	HG	H	1.809	1
155	1	16	LEU	HD11	H	0.865	1
156	1	16	LEU	HD12	H	0.865	1
157	1	16	LEU	HD13	H	0.865	1
158	1	16	LEU	HD21	H	0.878	1
159	1	16	LEU	HD22	H	0.878	1
160	1	16	LEU	HD23	H	0.878	1
161	1	16	LEU	C	C	178.725	1
162	1	16	LEU	CA	C	58.124	1
163	1	16	LEU	CB	C	41.943	1
164	1	16	LEU	CG	C	26.890	1
165	1	16	LEU	CD1	C	26.152	1
166	1	16	LEU	CD2	C	24.374	1
167	1	16	LEU	N	N	119.702	1
168	1	17	LYS	H	H	7.477	1
169	1	17	LYS	HA	H	4.016	1
170	1	17	LYS	HB2	H	1.905	1
171	1	17	LYS	HB3	H	1.905	1
172	1	17	LYS	HG2	H	1.521	2
173	1	17	LYS	HG3	H	1.472	2
174	1	17	LYS	HD2	H	1.647	1
175	1	17	LYS	HD3	H	1.647	1
176	1	17	LYS	HE2	H	2.875	1
177	1	17	LYS	HE3	H	2.875	1
178	1	17	LYS	C	C	179.640	1
179	1	17	LYS	CA	C	58.609	1
180	1	17	LYS	CB	C	31.681	1
181	1	17	LYS	CG	C	24.765	1
182	1	17	LYS	CD	C	28.743	1
183	1	17	LYS	CE	C	41.858	1
184	1	17	LYS	N	N	118.626	1
185	1	18	ASP	H	H	7.974	1
186	1	18	ASP	HA	H	4.346	1
187	1	18	ASP	HB2	H	2.776	2
188	1	18	ASP	HB3	H	2.700	2
189	1	18	ASP	C	C	178.296	1
190	1	18	ASP	CA	C	56.998	1
191	1	18	ASP	CB	C	40.111	1
192	1	18	ASP	N	N	120.677	1
193	1	19	LEU	H	H	7.885	1
194	1	19	LEU	HA	H	4.129	1
195	1	19	LEU	HB2	H	1.917	2
196	1	19	LEU	HB3	H	1.543	2
197	1	19	LEU	HG	H	1.898	1
198	1	19	LEU	HD11	H	0.894	1
199	1	19	LEU	HD12	H	0.894	1
200	1	19	LEU	HD13	H	0.894	1
201	1	19	LEU	HD21	H	0.913	1
202	1	19	LEU	HD22	H	0.913	1
203	1	19	LEU	HD23	H	0.913	1
204	1	19	LEU	C	C	179.236	1
205	1	19	LEU	CA	C	57.319	1
206	1	19	LEU	CB	C	42.303	1
207	1	19	LEU	CG	C	26.943	1
208	1	19	LEU	CD1	C	26.142	1
209	1	19	LEU	CD2	C	23.999	1
210	1	19	LEU	N	N	119.706	1
211	1	20	GLU	H	H	7.611	1
212	1	20	GLU	HA	H	4.125	1
213	1	20	GLU	HB2	H	2.089	1
214	1	20	GLU	HB3	H	2.089	1
215	1	20	GLU	HG2	H	2.455	2
216	1	20	GLU	HG3	H	2.200	2
217	1	20	GLU	C	C	177.525	1
218	1	20	GLU	CA	C	58.011	1
219	1	20	GLU	CB	C	29.329	1
220	1	20	GLU	CG	C	36.432	1
221	1	20	GLU	N	N	117.580	1
222	1	21	ARG	H	H	7.526	1
223	1	21	ARG	HA	H	4.283	1
224	1	21	ARG	HB2	H	1.987	2
225	1	21	ARG	HB3	H	1.856	2
226	1	21	ARG	HG2	H	1.718	2
227	1	21	ARG	HG3	H	1.616	2
228	1	21	ARG	HD2	H	3.195	1
229	1	21	ARG	HD3	H	3.195	1
230	1	21	ARG	C	C	177.139	1
231	1	21	ARG	CA	C	57.058	1
232	1	21	ARG	CB	C	30.893	1
233	1	21	ARG	CG	C	27.075	1
234	1	21	ARG	CD	C	43.360	1
235	1	21	ARG	N	N	118.314	1
236	1	22	ASP	H	H	7.957	1
237	1	22	ASP	HA	H	4.638	1
238	1	22	ASP	HB2	H	2.740	2
239	1	22	ASP	HB3	H	2.659	2
240	1	22	ASP	C	C	176.738	1
241	1	22	ASP	CA	C	55.074	1
242	1	22	ASP	CB	C	41.394	1
243	1	22	ASP	N	N	118.557	1
244	1	23	SER	H	H	8.086	1
245	1	23	SER	HA	H	4.383	1
246	1	23	SER	HB2	H	3.938	2
247	1	23	SER	HB3	H	3.860	2
248	1	23	SER	CA	C	58.824	1
249	1	23	SER	CB	C	63.137	1
250	1	23	SER	N	N	115.331	1
251	1	24	LEU	H	H	8.317	1
252	1	24	LEU	HA	H	4.446	1
253	1	24	LEU	HB2	H	1.760	2
254	1	24	LEU	HB3	H	1.627	2
255	1	24	LEU	HG	H	1.670	1
256	1	24	LEU	HD11	H	0.929	2
257	1	24	LEU	HD12	H	0.929	2
258	1	24	LEU	HD13	H	0.929	2
259	1	24	LEU	HD21	H	0.874	2
260	1	24	LEU	HD22	H	0.874	2
261	1	24	LEU	HD23	H	0.874	2
262	1	24	LEU	C	C	178.056	1
263	1	24	LEU	CA	C	55.296	1
264	1	24	LEU	CB	C	43.590	1
265	1	24	LEU	CG	C	27.108	1
266	1	24	LEU	CD1	C	25.456	2
267	1	24	LEU	CD2	C	23.102	2
268	1	24	LEU	N	N	123.536	1
269	1	25	THR	H	H	7.940	1
270	1	25	THR	HA	H	4.507	1
271	1	25	THR	HB	H	4.559	1
272	1	25	THR	HG21	H	1.303	1
273	1	25	THR	HG22	H	1.303	1
274	1	25	THR	HG23	H	1.303	1
275	1	25	THR	C	C	174.836	1
276	1	25	THR	CA	C	60.383	1
277	1	25	THR	CB	C	71.513	1
278	1	25	THR	CG2	C	21.927	1
279	1	25	THR	N	N	109.722	1
280	1	26	GLU	H	H	8.859	1
281	1	26	GLU	HA	H	4.034	1
282	1	26	GLU	HB2	H	2.051	1
283	1	26	GLU	HB3	H	2.051	1
284	1	26	GLU	HG2	H	2.338	1
285	1	26	GLU	HG3	H	2.338	1
286	1	26	GLU	C	C	178.353	1
287	1	26	GLU	CA	C	59.858	1
288	1	26	GLU	CB	C	29.622	1
289	1	26	GLU	CG	C	36.680	1
290	1	26	GLU	N	N	123.172	1
291	1	27	LYS	H	H	8.538	1
292	1	27	LYS	HA	H	3.951	1
293	1	27	LYS	HB2	H	1.878	2
294	1	27	LYS	HB3	H	1.764	2
295	1	27	LYS	HG2	H	1.446	2
296	1	27	LYS	HG3	H	1.390	2
297	1	27	LYS	HD2	H	1.656	1
298	1	27	LYS	HD3	H	1.656	1
299	1	27	LYS	HE2	H	2.952	1
300	1	27	LYS	HE3	H	2.952	1
301	1	27	LYS	C	C	178.315	1
302	1	27	LYS	CA	C	59.957	1
303	1	27	LYS	CB	C	32.401	1
304	1	27	LYS	CG	C	24.931	1
305	1	27	LYS	CD	C	29.146	1
306	1	27	LYS	CE	C	41.972	1
307	1	27	LYS	N	N	117.856	1
308	1	28	GLU	H	H	7.605	1
309	1	28	GLU	HA	H	4.029	1
310	1	28	GLU	HB2	H	2.116	1
311	1	28	GLU	HB3	H	2.116	1
312	1	28	GLU	HG2	H	2.320	2
313	1	28	GLU	HG3	H	2.288	2
314	1	28	GLU	C	C	177.989	1
315	1	28	GLU	CA	C	58.904	1
316	1	28	GLU	CB	C	30.159	1
317	1	28	GLU	CG	C	36.871	1
318	1	28	GLU	N	N	118.511	1
319	1	29	CYS	H	H	8.438	1
320	1	29	CYS	HA	H	4.003	1
321	1	29	CYS	HB2	H	3.116	2
322	1	29	CYS	HB3	H	3.090	2
323	1	29	CYS	HG	H	2.109	1
324	1	29	CYS	C	C	176.588	1
325	1	29	CYS	CA	C	62.204	1
326	1	29	CYS	CB	C	26.955	1
327	1	29	CYS	N	N	119.610	1
328	1	30	VAL	H	H	8.466	1
329	1	30	VAL	HA	H	3.428	1
330	1	30	VAL	HB	H	2.078	1
331	1	30	VAL	HG11	H	1.037	1
332	1	30	VAL	HG12	H	1.037	1
333	1	30	VAL	HG13	H	1.037	1
334	1	30	VAL	HG21	H	0.883	1
335	1	30	VAL	HG22	H	0.883	1
336	1	30	VAL	HG23	H	0.883	1
337	1	30	VAL	CA	C	67.424	1
338	1	30	VAL	CB	C	31.512	1
339	1	30	VAL	CG1	C	24.138	1
340	1	30	VAL	CG2	C	21.862	1
341	1	30	VAL	N	N	118.131	1
342	1	31	LYS	H	H	7.802	1
343	1	31	LYS	HA	H	3.940	1
344	1	31	LYS	HB2	H	1.953	1
345	1	31	LYS	HB3	H	1.953	1
346	1	31	LYS	HG2	H	1.395	1
347	1	31	LYS	HG3	H	1.395	1
348	1	31	LYS	HD2	H	1.713	1
349	1	31	LYS	HD3	H	1.713	1
350	1	31	LYS	HE2	H	2.928	1
351	1	31	LYS	HE3	H	2.928	1
352	1	31	LYS	C	C	179.343	1
353	1	31	LYS	CA	C	60.076	1
354	1	31	LYS	CB	C	32.035	1
355	1	31	LYS	CG	C	24.906	1
356	1	31	LYS	CD	C	29.259	1
357	1	31	LYS	CE	C	41.718	1
358	1	31	LYS	N	N	119.074	1
359	1	32	GLU	H	H	8.190	1
360	1	32	GLU	HA	H	4.262	1
361	1	32	GLU	HB2	H	2.095	1
362	1	32	GLU	HB3	H	2.095	1
363	1	32	GLU	HG2	H	2.448	2
364	1	32	GLU	HG3	H	2.385	2
365	1	32	GLU	C	C	179.848	1
366	1	32	GLU	CA	C	58.625	1
367	1	32	GLU	CB	C	29.441	1
368	1	32	GLU	CG	C	35.665	1
369	1	32	GLU	N	N	118.013	1
370	1	33	LYS	H	H	8.749	1
371	1	33	LYS	HA	H	3.764	1
372	1	33	LYS	HB2	H	2.006	2
373	1	33	LYS	HB3	H	1.586	2
374	1	33	LYS	HG2	H	1.827	2
375	1	33	LYS	HG3	H	1.165	2
376	1	33	LYS	HD2	H	1.544	1
377	1	33	LYS	HD3	H	1.544	1
378	1	33	LYS	HE2	H	2.788	1
379	1	33	LYS	HE3	H	2.788	1
380	1	33	LYS	C	C	178.216	1
381	1	33	LYS	CA	C	60.998	1
382	1	33	LYS	CB	C	33.007	1
383	1	33	LYS	CG	C	27.063	1
384	1	33	LYS	CD	C	30.670	1
385	1	33	LYS	CE	C	43.352	1
386	1	33	LYS	N	N	121.771	1
387	1	34	LEU	H	H	8.464	1
388	1	34	LEU	HA	H	3.911	1
389	1	34	LEU	HB2	H	1.849	2
390	1	34	LEU	HB3	H	1.598	2
391	1	34	LEU	HG	H	1.818	1
392	1	34	LEU	HD11	H	0.913	1
393	1	34	LEU	HD12	H	0.913	1
394	1	34	LEU	HD13	H	0.913	1
395	1	34	LEU	HD21	H	0.857	1
396	1	34	LEU	HD22	H	0.857	1
397	1	34	LEU	HD23	H	0.857	1
398	1	34	LEU	C	C	178.964	1
399	1	34	LEU	CA	C	58.453	1
400	1	34	LEU	CB	C	41.263	1
401	1	34	LEU	CG	C	26.951	1
402	1	34	LEU	CD1	C	25.628	1
403	1	34	LEU	CD2	C	24.294	1
404	1	34	LEU	N	N	118.515	1
405	1	35	ASN	H	H	7.766	1
406	1	35	ASN	HA	H	4.478	1
407	1	35	ASN	HB2	H	2.903	1
408	1	35	ASN	HB3	H	2.903	1
409	1	35	ASN	HD21	H	7.696	2
410	1	35	ASN	HD22	H	6.819	2
411	1	35	ASN	C	C	177.639	1
412	1	35	ASN	CA	C	55.925	1
413	1	35	ASN	CB	C	38.433	1
414	1	35	ASN	N	N	116.739	1
415	1	35	ASN	ND2	N	112.710	1
416	1	36	LEU	H	H	7.967	1
417	1	36	LEU	HA	H	4.257	1
418	1	36	LEU	HB2	H	1.853	2
419	1	36	LEU	HB3	H	1.660	2
420	1	36	LEU	HG	H	1.770	1
421	1	36	LEU	HD11	H	0.934	1
422	1	36	LEU	HD12	H	0.934	1
423	1	36	LEU	HD13	H	0.934	1
424	1	36	LEU	HD21	H	0.934	1
425	1	36	LEU	HD22	H	0.934	1
426	1	36	LEU	HD23	H	0.934	1
427	1	36	LEU	C	C	178.863	1
428	1	36	LEU	CA	C	57.207	1
429	1	36	LEU	CB	C	43.065	1
430	1	36	LEU	CG	C	27.103	1
431	1	36	LEU	CD1	C	25.118	1
432	1	36	LEU	CD2	C	25.118	1
433	1	36	LEU	N	N	119.838	1
434	1	37	LEU	H	H	8.197	1
435	1	37	LEU	HA	H	4.499	1
436	1	37	LEU	HB2	H	1.832	2
437	1	37	LEU	HB3	H	1.537	2
438	1	37	LEU	HG	H	1.868	1
439	1	37	LEU	HD11	H	0.823	1
440	1	37	LEU	HD12	H	0.823	1
441	1	37	LEU	HD13	H	0.823	1
442	1	37	LEU	HD21	H	0.828	1
443	1	37	LEU	HD22	H	0.828	1
444	1	37	LEU	HD23	H	0.828	1
445	1	37	LEU	C	C	178.469	1
446	1	37	LEU	CA	C	55.616	1
447	1	37	LEU	CB	C	43.435	1
448	1	37	LEU	CG	C	26.930	1
449	1	37	LEU	CD1	C	26.049	1
450	1	37	LEU	CD2	C	23.725	1
451	1	37	LEU	N	N	114.280	1
452	1	38	HIS	H	H	7.858	1
453	1	38	HIS	HA	H	3.926	1
454	1	38	HIS	HB2	H	3.483	2
455	1	38	HIS	HB3	H	3.155	2
456	1	38	HIS	HD2	H	6.961	1
457	1	38	HIS	C	C	176.767	1
458	1	38	HIS	CA	C	62.125	1
459	1	38	HIS	CB	C	30.628	1
460	1	38	HIS	N	N	119.141	1
461	1	39	GLU	H	H	8.563	1
462	1	39	GLU	HA	H	3.918	1
463	1	39	GLU	HB2	H	1.585	2
464	1	39	GLU	HB3	H	1.496	2
465	1	39	GLU	HG2	H	1.761	2
466	1	39	GLU	HG3	H	1.545	2
467	1	39	GLU	C	C	176.645	1
468	1	39	GLU	CA	C	57.788	1
469	1	39	GLU	CB	C	29.242	1
470	1	39	GLU	CG	C	35.754	1
471	1	39	GLU	N	N	113.849	1
472	1	40	PHE	H	H	8.177	1
473	1	40	PHE	HA	H	4.499	1
474	1	40	PHE	HB2	H	3.397	1
475	1	40	PHE	HB3	H	2.754	1
476	1	40	PHE	HD1	H	7.433	1
477	1	40	PHE	HD2	H	7.433	1
478	1	40	PHE	HE1	H	7.294	1
479	1	40	PHE	HE2	H	7.294	1
480	1	40	PHE	C	C	175.518	1
481	1	40	PHE	CA	C	57.903	1
482	1	40	PHE	CB	C	40.232	1
483	1	40	PHE	CD1	C	131.756	1
484	1	40	PHE	CD2	C	131.756	1
485	1	40	PHE	CE1	C	130.300	1
486	1	40	PHE	CE2	C	130.300	1
487	1	40	PHE	N	N	117.289	1
488	1	41	LEU	H	H	7.106	1
489	1	41	LEU	HA	H	4.373	1
490	1	41	LEU	HB2	H	1.631	2
491	1	41	LEU	HB3	H	1.269	2
492	1	41	LEU	HG	H	1.943	1
493	1	41	LEU	HD11	H	0.714	1
494	1	41	LEU	HD12	H	0.714	1
495	1	41	LEU	HD13	H	0.714	1
496	1	41	LEU	HD21	H	0.821	1
497	1	41	LEU	HD22	H	0.821	1
498	1	41	LEU	HD23	H	0.821	1
499	1	41	LEU	C	C	177.013	1
500	1	41	LEU	CA	C	54.269	1
501	1	41	LEU	CB	C	43.144	1
502	1	41	LEU	CG	C	25.619	1
503	1	41	LEU	CD1	C	25.967	1
504	1	41	LEU	CD2	C	22.581	1
505	1	41	LEU	N	N	118.493	1
506	1	42	GLN	H	H	8.833	1
507	1	42	GLN	HA	H	4.335	1
508	1	42	GLN	HB2	H	2.415	2
509	1	42	GLN	HB3	H	2.023	2
510	1	42	GLN	HG2	H	2.603	1
511	1	42	GLN	HG3	H	2.603	1
512	1	42	GLN	HE21	H	7.793	2
513	1	42	GLN	HE22	H	6.938	2
514	1	42	GLN	CA	C	55.837	1
515	1	42	GLN	CB	C	29.539	1
516	1	42	GLN	CG	C	34.454	1
517	1	42	GLN	N	N	120.299	1
518	1	42	GLN	NE2	N	113.340	1
519	1	43	THR	HA	H	3.637	1
520	1	43	THR	HB	H	4.084	1
521	1	43	THR	HG21	H	1.225	1
522	1	43	THR	HG22	H	1.225	1
523	1	43	THR	HG23	H	1.225	1
524	1	43	THR	C	C	175.284	1
525	1	43	THR	CA	C	67.365	1
526	1	43	THR	CB	C	69.019	1
527	1	43	THR	CG2	C	21.992	1
528	1	44	GLU	H	H	9.285	1
529	1	44	GLU	HA	H	4.096	1
530	1	44	GLU	HB2	H	2.056	2
531	1	44	GLU	HB3	H	1.969	2
532	1	44	GLU	HG2	H	2.296	1
533	1	44	GLU	HG3	H	2.296	1
534	1	44	GLU	C	C	179.096	1
535	1	44	GLU	CA	C	60.163	1
536	1	44	GLU	CB	C	29.036	1
537	1	44	GLU	CG	C	36.472	1
538	1	44	GLU	N	N	119.069	1
539	1	45	ILE	H	H	7.142	1
540	1	45	ILE	HA	H	3.936	1
541	1	45	ILE	HB	H	2.163	1
542	1	45	ILE	HG12	H	1.619	1
543	1	45	ILE	HG13	H	1.382	1
544	1	45	ILE	HG21	H	0.941	1
545	1	45	ILE	HG22	H	0.941	1
546	1	45	ILE	HG23	H	0.941	1
547	1	45	ILE	HD11	H	0.819	1
548	1	45	ILE	HD12	H	0.819	1
549	1	45	ILE	HD13	H	0.819	1
550	1	45	ILE	C	C	177.880	1
551	1	45	ILE	CA	C	62.740	1
552	1	45	ILE	CB	C	36.202	1
553	1	45	ILE	CG1	C	28.101	1
554	1	45	ILE	CG2	C	18.230	1
555	1	45	ILE	CD1	C	11.047	1
556	1	45	ILE	N	N	119.018	1
557	1	46	LYS	H	H	8.065	1
558	1	46	LYS	HA	H	3.859	1
559	1	46	LYS	HB2	H	1.911	2
560	1	46	LYS	HB3	H	1.833	2
561	1	46	LYS	HG2	H	1.369	2
562	1	46	LYS	HG3	H	1.095	2
563	1	46	LYS	HD2	H	1.572	2
564	1	46	LYS	HD3	H	1.503	2
565	1	46	LYS	HE2	H	2.841	2
566	1	46	LYS	HE3	H	2.670	2
567	1	46	LYS	C	C	179.668	1
568	1	46	LYS	CA	C	61.132	1
569	1	46	LYS	CB	C	32.058	1
570	1	46	LYS	CG	C	26.597	1
571	1	46	LYS	CD	C	29.590	1
572	1	46	LYS	CE	C	41.656	1
573	1	46	LYS	N	N	120.817	1
574	1	47	ASN	H	H	8.548	1
575	1	47	ASN	HA	H	4.462	1
576	1	47	ASN	HB2	H	2.913	1
577	1	47	ASN	HB3	H	2.913	1
578	1	47	ASN	HD21	H	7.634	2
579	1	47	ASN	HD22	H	6.845	2
580	1	47	ASN	C	C	178.187	1
581	1	47	ASN	CA	C	55.963	1
582	1	47	ASN	CB	C	37.334	1
583	1	47	ASN	N	N	118.126	1
584	1	47	ASN	ND2	N	111.284	1
585	1	48	GLN	H	H	7.762	1
586	1	48	GLN	HA	H	4.157	1
587	1	48	GLN	HB2	H	2.243	2
588	1	48	GLN	HB3	H	2.131	2
589	1	48	GLN	HG2	H	2.660	2
590	1	48	GLN	HG3	H	2.368	2
591	1	48	GLN	HE21	H	7.247	2
592	1	48	GLN	HE22	H	6.772	2
593	1	48	GLN	C	C	179.184	1
594	1	48	GLN	CA	C	59.344	1
595	1	48	GLN	CB	C	29.256	1
596	1	48	GLN	CG	C	34.747	1
597	1	48	GLN	N	N	121.199	1
598	1	48	GLN	NE2	N	110.333	1
599	1	49	LEU	H	H	8.637	1
600	1	49	LEU	HA	H	4.020	1
601	1	49	LEU	HB2	H	2.091	2
602	1	49	LEU	HB3	H	1.638	2
603	1	49	LEU	HG	H	1.814	1
604	1	49	LEU	HD11	H	0.883	1
605	1	49	LEU	HD12	H	0.883	1
606	1	49	LEU	HD13	H	0.883	1
607	1	49	LEU	HD21	H	0.883	1
608	1	49	LEU	HD22	H	0.883	1
609	1	49	LEU	HD23	H	0.883	1
610	1	49	LEU	C	C	179.885	1
611	1	49	LEU	CA	C	58.528	1
612	1	49	LEU	CB	C	41.160	1
613	1	49	LEU	CG	C	27.103	1
614	1	49	LEU	CD1	C	24.812	1
615	1	49	LEU	CD2	C	24.624	1
616	1	49	LEU	N	N	120.787	1
617	1	50	CYS	H	H	8.210	1
618	1	50	CYS	HA	H	4.324	1
619	1	50	CYS	HB2	H	3.111	1
620	1	50	CYS	HB3	H	3.111	1
621	1	50	CYS	HG	H	2.284	1
622	1	50	CYS	C	C	177.373	1
623	1	50	CYS	CA	C	62.809	1
624	1	50	CYS	CB	C	26.415	1
625	1	50	CYS	N	N	120.377	1
626	1	51	ASP	H	H	7.877	1
627	1	51	ASP	HA	H	4.442	1
628	1	51	ASP	HB2	H	2.777	1
629	1	51	ASP	HB3	H	2.777	1
630	1	51	ASP	C	C	178.504	1
631	1	51	ASP	CA	C	57.787	1
632	1	51	ASP	CB	C	41.155	1
633	1	51	ASP	N	N	121.673	1
634	1	52	LEU	H	H	8.167	1
635	1	52	LEU	HA	H	4.031	1
636	1	52	LEU	HB2	H	2.141	2
637	1	52	LEU	HB3	H	1.495	2
638	1	52	LEU	HG	H	2.010	1
639	1	52	LEU	HD11	H	0.763	1
640	1	52	LEU	HD12	H	0.763	1
641	1	52	LEU	HD13	H	0.763	1
642	1	52	LEU	HD21	H	0.867	1
643	1	52	LEU	HD22	H	0.867	1
644	1	52	LEU	HD23	H	0.867	1
645	1	52	LEU	CA	C	58.262	1
646	1	52	LEU	CB	C	41.959	1
647	1	52	LEU	CG	C	26.890	1
648	1	52	LEU	CD1	C	26.585	1
649	1	52	LEU	CD2	C	23.775	1
650	1	52	LEU	N	N	119.136	1
651	1	53	GLU	H	H	8.160	1
652	1	53	GLU	HA	H	3.845	1
653	1	53	GLU	HB2	H	2.276	1
654	1	53	GLU	HB3	H	2.276	1
655	1	53	GLU	HG2	H	2.269	1
656	1	53	GLU	HG3	H	2.269	1
657	1	53	GLU	C	C	178.848	1
658	1	53	GLU	CA	C	59.849	1
659	1	53	GLU	CB	C	29.103	1
660	1	53	GLU	CG	C	36.638	1
661	1	53	GLU	N	N	119.413	1
662	1	54	THR	H	H	8.286	1
663	1	54	THR	HA	H	3.865	1
664	1	54	THR	HB	H	4.451	1
665	1	54	THR	HG21	H	1.223	1
666	1	54	THR	HG22	H	1.223	1
667	1	54	THR	HG23	H	1.223	1
668	1	54	THR	C	C	176.059	1
669	1	54	THR	CA	C	66.827	1
670	1	54	THR	CB	C	68.461	1
671	1	54	THR	CG2	C	21.969	1
672	1	54	THR	N	N	117.616	1
673	1	55	LYS	H	H	8.012	1
674	1	55	LYS	HA	H	3.883	1
675	1	55	LYS	HB2	H	2.036	2
676	1	55	LYS	HB3	H	1.615	2
677	1	55	LYS	HG2	H	1.689	2
678	1	55	LYS	HG3	H	1.481	2
679	1	55	LYS	HD2	H	1.585	1
680	1	55	LYS	HD3	H	1.585	1
681	1	55	LYS	HE2	H	2.959	1
682	1	55	LYS	HE3	H	2.959	1
683	1	55	LYS	C	C	179.010	1
684	1	55	LYS	CA	C	60.340	1
685	1	55	LYS	CB	C	33.266	1
686	1	55	LYS	CG	C	26.200	1
687	1	55	LYS	CD	C	29.265	1
688	1	55	LYS	CE	C	41.636	1
689	1	55	LYS	N	N	120.852	1
690	1	56	LEU	H	H	8.173	1
691	1	56	LEU	HA	H	4.302	1
692	1	56	LEU	HB2	H	1.851	2
693	1	56	LEU	HB3	H	1.098	2
694	1	56	LEU	HG	H	1.238	1
695	1	56	LEU	HD11	H	0.156	1
696	1	56	LEU	HD12	H	0.156	1
697	1	56	LEU	HD13	H	0.156	1
698	1	56	LEU	HD21	H	0.648	1
699	1	56	LEU	HD22	H	0.648	1
700	1	56	LEU	HD23	H	0.648	1
701	1	56	LEU	C	C	180.717	1
702	1	56	LEU	CA	C	58.079	1
703	1	56	LEU	CB	C	41.827	1
704	1	56	LEU	CG	C	26.567	1
705	1	56	LEU	CD1	C	24.760	1
706	1	56	LEU	CD2	C	22.999	1
707	1	56	LEU	N	N	121.581	1
708	1	57	ARG	H	H	8.323	1
709	1	57	ARG	HA	H	4.005	1
710	1	57	ARG	HB2	H	1.950	1
711	1	57	ARG	HB3	H	1.950	1
712	1	57	ARG	HG2	H	1.768	2
713	1	57	ARG	HG3	H	1.648	2
714	1	57	ARG	HD2	H	3.182	1
715	1	57	ARG	HD3	H	3.182	1
716	1	57	ARG	C	C	178.460	1
717	1	57	ARG	CA	C	59.197	1
718	1	57	ARG	CB	C	29.859	1
719	1	57	ARG	CG	C	27.679	1
720	1	57	ARG	CD	C	43.313	1
721	1	57	ARG	N	N	121.309	1
722	1	58	LYS	H	H	7.871	1
723	1	58	LYS	HA	H	4.270	1
724	1	58	LYS	HB2	H	2.068	2
725	1	58	LYS	HB3	H	1.712	2
726	1	58	LYS	HG2	H	1.638	2
727	1	58	LYS	HG3	H	1.446	2
728	1	58	LYS	HD2	H	1.596	1
729	1	58	LYS	HD3	H	1.596	1
730	1	58	LYS	HE2	H	2.906	1
731	1	58	LYS	HE3	H	2.906	1
732	1	58	LYS	C	C	175.199	1
733	1	58	LYS	CA	C	56.544	1
734	1	58	LYS	CB	C	32.730	1
735	1	58	LYS	CG	C	25.502	1
736	1	58	LYS	CD	C	29.238	1
737	1	58	LYS	CE	C	41.788	1
738	1	58	LYS	N	N	116.518	1
739	1	59	GLU	H	H	8.049	1
740	1	59	GLU	HA	H	4.040	1
741	1	59	GLU	HB2	H	2.301	2
742	1	59	GLU	HB3	H	2.231	2
743	1	59	GLU	HG2	H	2.216	2
744	1	59	GLU	HG3	H	2.135	2
745	1	59	GLU	C	C	175.908	1
746	1	59	GLU	CA	C	57.829	1
747	1	59	GLU	CB	C	26.391	1
748	1	59	GLU	CG	C	36.894	1
749	1	59	GLU	N	N	113.702	1
750	1	60	GLU	H	H	8.421	1
751	1	60	GLU	HA	H	4.243	1
752	1	60	GLU	HB2	H	2.081	2
753	1	60	GLU	HB3	H	1.805	2
754	1	60	GLU	HG2	H	2.213	1
755	1	60	GLU	HG3	H	2.213	1
756	1	60	GLU	C	C	175.952	1
757	1	60	GLU	CA	C	56.936	1
758	1	60	GLU	CB	C	30.715	1
759	1	60	GLU	CG	C	36.729	1
760	1	60	GLU	N	N	117.116	1
761	1	61	LEU	H	H	7.049	1
762	1	61	LEU	HA	H	4.598	1
763	1	61	LEU	HB2	H	1.515	2
764	1	61	LEU	HB3	H	1.257	2
765	1	61	LEU	HG	H	1.730	1
766	1	61	LEU	HD11	H	0.976	1
767	1	61	LEU	HD12	H	0.976	1
768	1	61	LEU	HD13	H	0.976	1
769	1	61	LEU	HD21	H	0.976	1
770	1	61	LEU	HD22	H	0.976	1
771	1	61	LEU	HD23	H	0.976	1
772	1	61	LEU	C	C	175.032	1
773	1	61	LEU	CA	C	52.994	1
774	1	61	LEU	CB	C	46.893	1
775	1	61	LEU	CG	C	26.974	1
776	1	61	LEU	CD1	C	25.566	1
777	1	61	LEU	CD2	C	25.566	1
778	1	61	LEU	N	N	119.259	1
779	1	62	SER	H	H	8.390	1
780	1	62	SER	HA	H	4.485	1
781	1	62	SER	HB2	H	4.381	2
782	1	62	SER	HB3	H	4.037	2
783	1	62	SER	C	C	174.504	1
784	1	62	SER	CA	C	56.613	1
785	1	62	SER	CB	C	65.338	1
786	1	62	SER	N	N	117.541	1
787	1	63	GLU	H	H	9.101	1
788	1	63	GLU	HA	H	3.918	1
789	1	63	GLU	HB2	H	2.101	1
790	1	63	GLU	HB3	H	2.101	1
791	1	63	GLU	HG2	H	2.293	2
792	1	63	GLU	HG3	H	2.240	2
793	1	63	GLU	C	C	178.417	1
794	1	63	GLU	CA	C	60.963	1
795	1	63	GLU	CB	C	29.696	1
796	1	63	GLU	CG	C	37.176	1
797	1	63	GLU	N	N	122.158	1
798	1	64	GLU	H	H	8.867	1
799	1	64	GLU	HA	H	4.032	1
800	1	64	GLU	HB2	H	2.073	2
801	1	64	GLU	HB3	H	1.973	2
802	1	64	GLU	HG2	H	2.331	1
803	1	64	GLU	HG3	H	2.331	1
804	1	64	GLU	C	C	179.572	1
805	1	64	GLU	CA	C	60.175	1
806	1	64	GLU	CB	C	29.203	1
807	1	64	GLU	CG	C	36.555	1
808	1	64	GLU	N	N	117.639	1
809	1	65	GLY	H	H	8.441	1
810	1	65	GLY	HA2	H	3.891	2
811	1	65	GLY	HA3	H	3.768	2
812	1	65	GLY	C	C	176.260	1
813	1	65	GLY	CA	C	46.781	1
814	1	65	GLY	N	N	110.765	1
815	1	66	TYR	H	H	8.864	1
816	1	66	TYR	HA	H	4.052	1
817	1	66	TYR	HB2	H	3.340	2
818	1	66	TYR	HB3	H	2.917	2
819	1	66	TYR	HD1	H	6.866	1
820	1	66	TYR	HD2	H	6.866	1
821	1	66	TYR	HE1	H	6.486	1
822	1	66	TYR	HE2	H	6.486	1
823	1	66	TYR	C	C	175.916	1
824	1	66	TYR	CA	C	62.016	1
825	1	66	TYR	CB	C	39.032	1
826	1	66	TYR	CD1	C	133.401	1
827	1	66	TYR	CD2	C	133.401	1
828	1	66	TYR	CE1	C	117.789	1
829	1	66	TYR	CE2	C	117.789	1
830	1	66	TYR	N	N	123.652	1
831	1	67	LEU	H	H	8.557	1
832	1	67	LEU	HA	H	3.658	1
833	1	67	LEU	HB2	H	1.934	2
834	1	67	LEU	HB3	H	1.408	2
835	1	67	LEU	HG	H	2.083	1
836	1	67	LEU	HD11	H	0.917	1
837	1	67	LEU	HD12	H	0.917	1
838	1	67	LEU	HD13	H	0.917	1
839	1	67	LEU	HD21	H	0.926	1
840	1	67	LEU	HD22	H	0.926	1
841	1	67	LEU	HD23	H	0.926	1
842	1	67	LEU	C	C	178.849	1
843	1	67	LEU	CA	C	57.920	1
844	1	67	LEU	CB	C	41.474	1
845	1	67	LEU	CG	C	26.951	1
846	1	67	LEU	CD1	C	26.115	1
847	1	67	LEU	CD2	C	23.446	1
848	1	67	LEU	N	N	119.267	1
849	1	68	ALA	H	H	7.814	1
850	1	68	ALA	HA	H	4.030	1
851	1	68	ALA	HB1	H	1.491	1
852	1	68	ALA	HB2	H	1.491	1
853	1	68	ALA	HB3	H	1.491	1
854	1	68	ALA	C	C	181.108	1
855	1	68	ALA	CA	C	55.086	1
856	1	68	ALA	CB	C	18.140	1
857	1	68	ALA	N	N	119.324	1
858	1	69	LYS	H	H	7.808	1
859	1	69	LYS	HA	H	4.044	1
860	1	69	LYS	HB2	H	1.913	2
861	1	69	LYS	HB3	H	1.777	2
862	1	69	LYS	HG2	H	1.547	2
863	1	69	LYS	HG3	H	1.508	2
864	1	69	LYS	C	C	179.581	1
865	1	69	LYS	CA	C	58.810	1
866	1	69	LYS	CB	C	32.664	1
867	1	69	LYS	CG	C	24.706	1
868	1	69	LYS	N	N	119.044	1
869	1	70	VAL	H	H	8.534	1
870	1	70	VAL	HA	H	3.237	1
871	1	70	VAL	HB	H	1.680	1
872	1	70	VAL	HG11	H	0.675	1
873	1	70	VAL	HG12	H	0.675	1
874	1	70	VAL	HG13	H	0.675	1
875	1	70	VAL	HG21	H	0.322	1
876	1	70	VAL	HG22	H	0.322	1
877	1	70	VAL	HG23	H	0.322	1
878	1	70	VAL	C	C	177.640	1
879	1	70	VAL	CA	C	67.211	1
880	1	70	VAL	CB	C	31.557	1
881	1	70	VAL	CG1	C	22.411	1
882	1	70	VAL	CG2	C	22.583	1
883	1	70	VAL	N	N	121.224	1
884	1	71	LYS	H	H	8.185	1
885	1	71	LYS	HA	H	3.692	1
886	1	71	LYS	HB2	H	1.801	1
887	1	71	LYS	HB3	H	1.801	1
888	1	71	LYS	HG2	H	1.544	2
889	1	71	LYS	HG3	H	1.298	2
890	1	71	LYS	HD2	H	1.610	1
891	1	71	LYS	HD3	H	1.610	1
892	1	71	LYS	HE2	H	2.816	1
893	1	71	LYS	HE3	H	2.816	1
894	1	71	LYS	C	C	178.832	1
895	1	71	LYS	CA	C	60.509	1
896	1	71	LYS	CB	C	32.122	1
897	1	71	LYS	CG	C	25.818	1
898	1	71	LYS	CD	C	29.393	1
899	1	71	LYS	CE	C	41.467	1
900	1	71	LYS	N	N	118.154	1
901	1	72	SER	H	H	7.534	1
902	1	72	SER	HA	H	4.186	1
903	1	72	SER	HB2	H	3.938	1
904	1	72	SER	HB3	H	3.938	1
905	1	72	SER	C	C	176.636	1
906	1	72	SER	CA	C	61.527	1
907	1	72	SER	CB	C	62.941	1
908	1	72	SER	N	N	112.230	1
909	1	73	LEU	H	H	7.708	1
910	1	73	LEU	HA	H	4.152	1
911	1	73	LEU	HB2	H	1.840	2
912	1	73	LEU	HB3	H	1.486	2
913	1	73	LEU	HG	H	1.729	1
914	1	73	LEU	HD11	H	0.818	1
915	1	73	LEU	HD12	H	0.818	1
916	1	73	LEU	HD13	H	0.818	1
917	1	73	LEU	HD21	H	0.838	1
918	1	73	LEU	HD22	H	0.838	1
919	1	73	LEU	HD23	H	0.838	1
920	1	73	LEU	C	C	178.719	1
921	1	73	LEU	CA	C	57.670	1
922	1	73	LEU	CB	C	42.341	1
923	1	73	LEU	CG	C	26.917	1
924	1	73	LEU	CD1	C	25.549	1
925	1	73	LEU	CD2	C	23.975	1
926	1	73	LEU	N	N	122.164	1
927	1	74	LEU	H	H	8.072	1
928	1	74	LEU	HA	H	4.041	1
929	1	74	LEU	HB2	H	1.762	2
930	1	74	LEU	HB3	H	1.355	2
931	1	74	LEU	HG	H	1.851	1
932	1	74	LEU	HD11	H	0.713	1
933	1	74	LEU	HD12	H	0.713	1
934	1	74	LEU	HD13	H	0.713	1
935	1	74	LEU	HD21	H	0.719	1
936	1	74	LEU	HD22	H	0.719	1
937	1	74	LEU	HD23	H	0.719	1
938	1	74	LEU	C	C	177.839	1
939	1	74	LEU	CA	C	56.726	1
940	1	74	LEU	CB	C	41.662	1
941	1	74	LEU	CG	C	26.503	1
942	1	74	LEU	CD1	C	25.686	1
943	1	74	LEU	CD2	C	22.597	1
944	1	74	LEU	N	N	116.421	1
945	1	75	ASN	H	H	7.780	1
946	1	75	ASN	HA	H	4.576	1
947	1	75	ASN	HB2	H	2.851	2
948	1	75	ASN	HB3	H	2.813	2
949	1	75	ASN	HD21	H	7.506	2
950	1	75	ASN	HD22	H	6.808	2
951	1	75	ASN	C	C	176.574	1
952	1	75	ASN	CA	C	54.261	1
953	1	75	ASN	CB	C	38.719	1
954	1	75	ASN	N	N	115.533	1
955	1	75	ASN	ND2	N	111.358	1
956	1	76	LYS	H	H	7.768	1
957	1	76	LYS	HA	H	4.167	1
958	1	76	LYS	HB2	H	1.891	1
959	1	76	LYS	HB3	H	1.891	1
960	1	76	LYS	HG2	H	1.463	1
961	1	76	LYS	HG3	H	1.463	1
962	1	76	LYS	HD2	H	1.640	1
963	1	76	LYS	HD3	H	1.640	1
964	1	76	LYS	CA	C	58.130	1
965	1	76	LYS	CB	C	32.687	1
966	1	76	LYS	CG	C	24.771	1
967	1	76	LYS	CD	C	29.067	1
968	1	76	LYS	CE	C	41.834	1
969	1	76	LYS	N	N	119.972	1
970	1	77	ASP	H	H	8.134	1
971	1	77	ASP	HA	H	4.620	1
972	1	77	ASP	HB2	H	2.712	2
973	1	77	ASP	HB3	H	2.611	2
974	1	77	ASP	C	C	176.785	1
975	1	77	ASP	CA	C	55.826	1
976	1	77	ASP	CB	C	41.565	1
977	1	77	ASP	N	N	119.205	1
978	1	78	LEU	H	H	7.926	1
979	1	78	LEU	HA	H	4.355	1
980	1	78	LEU	HB2	H	1.702	2
981	1	78	LEU	HB3	H	1.564	2
982	1	78	LEU	HD11	H	0.871	2
983	1	78	LEU	HD12	H	0.871	2
984	1	78	LEU	HD13	H	0.871	2
985	1	78	LEU	HD21	H	0.853	2
986	1	78	LEU	HD22	H	0.853	2
987	1	78	LEU	HD23	H	0.853	2
988	1	78	LEU	CA	C	55.502	1
989	1	78	LEU	CB	C	42.306	1
990	1	78	LEU	CD1	C	26.118	2
991	1	78	LEU	CD2	C	23.871	2
992	1	78	LEU	N	N	119.789	1
993	1	79	SER	H	H	8.091	1
994	1	79	SER	HA	H	4.337	1
995	1	79	SER	HB2	H	3.939	2
996	1	79	SER	HB3	H	3.873	2
997	1	79	SER	C	C	174.721	1
998	1	79	SER	CA	C	58.630	1
999	1	79	SER	CB	C	63.107	1
1000	1	79	SER	N	N	114.987	1
1001	1	80	LEU	H	H	8.041	1
1002	1	80	LEU	HA	H	4.326	1
1003	1	80	LEU	HB2	H	1.662	2
1004	1	80	LEU	HB3	H	1.554	2
1005	1	80	LEU	HG	H	1.594	1
1006	1	80	LEU	HD11	H	0.853	2
1007	1	80	LEU	HD12	H	0.853	2
1008	1	80	LEU	HD13	H	0.853	2
1009	1	80	LEU	HD21	H	0.787	2
1010	1	80	LEU	HD22	H	0.787	2
1011	1	80	LEU	HD23	H	0.787	2
1012	1	80	LEU	CA	C	55.308	1
1013	1	80	LEU	CB	C	42.032	1
1014	1	80	LEU	CG	C	26.814	1
1015	1	80	LEU	CD1	C	25.747	2
1016	1	80	LEU	CD2	C	23.477	2
1017	1	80	LEU	N	N	122.106	1
1018	1	81	GLU	H	H	8.270	1
1019	1	81	GLU	HB2	H	2.010	2
1020	1	81	GLU	HB3	H	1.877	2
1021	1	81	GLU	HG2	H	2.187	1
1022	1	81	GLU	HG3	H	2.187	1
1023	1	81	GLU	C	C	176.302	1
1024	1	81	GLU	CA	C	56.661	1
1025	1	81	GLU	CB	C	30.291	1
1026	1	81	GLU	N	N	120.132	1

Release date

2024-01-07

Citation

Identification of a conserved α-helical domain at the N-terminus of human DNA methyl transferase 1
Hu, Q., Botuyan, M.V., Mer, G.
J. Biol. Chem. (2024), 105775-105775, PubMed 38382673 , DOI 10.1016/j.jbc.2024.105775 , Abstract

Related entities 1. DNA (cytosine-5)-methyltransferase 1 (E.C.2.1.1.37), : 1 : 18 entities Detail

Interaction partners 1. DNA (cytosine-5)-methyltransferase 1 (E.C.2.1.1.37), : 42 interactors Detail

More details for 42 interactors identified by 25 citations

Experiments performed 19 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1 mM [U-13C; U-15N] DNMT1, 20 mM MES/Bis-Tris, 50 mM sodium chloride, 90% H2O/10% D2O.

#	Name	Isotope labeling	Concentration
1	DNMT1	[U-13C; U-15N]	1 mM
2	MES/Bis-Tris	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM

2 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DNMT1	[U-13C; U-15N]	1 mM
2	MES/Bis-Tris	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM

3 3D HNCO

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DNMT1	[U-13C; U-15N]	1 mM
2	MES/Bis-Tris	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM

4 3D HN(CA)CO

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DNMT1	[U-13C; U-15N]	1 mM
2	MES/Bis-Tris	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM

5 3D HNCA

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DNMT1	[U-13C; U-15N]	1 mM
2	MES/Bis-Tris	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM

6 3D HN(CO)CA

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DNMT1	[U-13C; U-15N]	1 mM
2	MES/Bis-Tris	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM

7 3D HNCACB

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DNMT1	[U-13C; U-15N]	1 mM
2	MES/Bis-Tris	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM

8 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DNMT1	[U-13C; U-15N]	1 mM
2	MES/Bis-Tris	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM

9 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DNMT1	[U-13C; U-15N]	1 mM
2	MES/Bis-Tris	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM

10 3D HBHA(CO)NH

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DNMT1	[U-13C; U-15N]	1 mM
2	MES/Bis-Tris	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM

11 3D 1H-13C NOESY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DNMT1	[U-13C; U-15N]	1 mM
2	MES/Bis-Tris	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM

12 3D 1H-13C NOESY

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1 mM [U-13C; U-15N] DNMT1, 20 mM MES/Bis-Tris, 50 mM sodium chloride, 100% D2O.

#	Name	Isotope labeling	Concentration
7	DNMT1	[U-13C; U-15N]	1 mM
8	MES/Bis-Tris	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM

13 3D HCCH-COSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DNMT1	[U-13C; U-15N]	1 mM
2	MES/Bis-Tris	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM

14 3D HCCH-COSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1 mM [U-13C; U-15N] DNMT1, 20 mM MES/Bis-Tris, 50 mM sodium chloride, 100% D2O.

#	Name	Isotope labeling	Concentration
7	DNMT1	[U-13C; U-15N]	1 mM
8	MES/Bis-Tris	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM

15 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1 mM [U-13C; U-15N] DNMT1, 20 mM MES/Bis-Tris, 50 mM sodium chloride, 100% D2O.

#	Name	Isotope labeling	Concentration
7	DNMT1	[U-13C; U-15N]	1 mM
8	MES/Bis-Tris	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM

16 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DNMT1	[U-13C; U-15N]	1 mM
2	MES/Bis-Tris	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM

17 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1 mM [U-15N] DNMT1, 20 mM MES/Bis-Tris, 50 mM sodium chloride, 90% H2O/10% D2O.

#	Name	Isotope labeling	Concentration
4	DNMT1	[U-15N]	1 mM
5	MES/Bis-Tris	natural abundance	20 mM
6	sodium chloride	natural abundance	50 mM

18 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1 mM [U-15N] DNMT1, 20 mM MES/Bis-Tris, 50 mM sodium chloride, 90% H2O/10% D2O.

#	Name	Isotope labeling	Concentration
4	DNMT1	[U-15N]	1 mM
5	MES/Bis-Tris	natural abundance	20 mM
6	sodium chloride	natural abundance	50 mM

19 2D 1H-15N IPAP HSQC

Instrument

Bruker AVANCE III - 700 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1 mM [U-15N] DNMT1, 20 mM MES/Bis-Tris, 50 mM sodium chloride, 5 % pentaethylene glycol monododecyl ether (C12E5), 95 % n-hexanol, 90% H2O/10% D2O.

#	Name	Isotope labeling	Concentration
10	DNMT1	[U-15N]	1 mM
11	MES/Bis-Tris	natural abundance	20 mM
12	sodium chloride	natural abundance	50 mM
13	pentaethylene glycol monododecyl ether (C12E5)	natural abundance	5 %
14	n-hexanol	natural abundance	95 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr31134_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: bmr31134_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1026		96.3 (chain: 1, length: 81)
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: 81, Sequence coverage: 96.3%
- Total number of assignments
  - ¹H chemical shifts: 593
  - ¹³C chemical shifts: 353
  - ¹⁵N chemical shifts: 80
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
29	CYS	HG	2.109
50	CYS	HG	2.284

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	525	493	93.9
¹³C chemical shifts	380	353	92.9
¹⁵N chemical shifts	89	80	89.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	162	153	94.4
¹³C chemical shifts	162	148	91.4
¹⁵N chemical shifts	79	75	94.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	363	340	93.7
¹³C chemical shifts	218	205	94.0
¹⁵N chemical shifts	10	5	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	50	49	98.0
¹³C chemical shifts	50	49	98.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	13	9	69.2
¹³C chemical shifts	13	8	61.5

Keywords DNA damage repair, DNA methylation, DNMT1, TRANSFERASE, epigenetics, gene expression, transcription

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Found 1 Document (2.963 seconds)

BMRB: 31134

Related entities 1. DNA (cytosine-5)-methyltransferase 1 (E.C.2.1.1.37), : 1 : 18 entities Detail

Interaction partners 1. DNA (cytosine-5)-methyltransferase 1 (E.C.2.1.1.37), : 42 interactors Detail

Experiments performed 19 experiments Detail

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Chemical shift validation 3 contents Detail