BMRBj - BMREntryMaster

Found 1 Document (0.507 seconds)

BMRB: 34826

7AJQ

Structure of the dimeric, periplasmic domain of ExbD

Authors

Zinke, M., Bardiaux, B., Izadi-Pruneyre, N.

Assembly

Biopolymer transport protein ExbD

Entity

1. Biopolymer transport protein ExbD (polymer, Thiol state: not present), 99 monomers, 10857.27 × 2 Da Detail

SVDIRVDLPA SSAKPQPRPE KPVFLSVKAD KQLYVGDQPV NADQLTSVLD QRTQANKETT IFFQADKSVD YETLMSVMDT LRKAGYLKVG LVGMEGAAK

Total weight

21714.54 Da

Max. entity weight

10857.27 Da

Source organism

Serratia marcescens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 1394, ¹³C: 876, ¹⁵N: 198 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	2	VAL	HA	H	4.315		1
2	1	2	VAL	HB	H	2.039		1
3	1	2	VAL	HG11	H	0.851	0.004	1
4	1	2	VAL	HG12	H	0.851	0.004	1
5	1	2	VAL	HG13	H	0.851	0.004	1
6	1	2	VAL	HG21	H	0.851	0.004	1
7	1	2	VAL	HG22	H	0.851	0.004	1
8	1	2	VAL	HG23	H	0.851	0.004	1
9	1	2	VAL	C	C	174.334		1
10	1	2	VAL	CA	C	61.164		1
11	1	2	VAL	CB	C	33.495		1
12	1	2	VAL	CG1	C	21.249		2
13	1	2	VAL	CG2	C	20.237		2
14	1	3	ASP	H	H	8.361	0.001	1
15	1	3	ASP	HA	H	5.030	0.002	1
16	1	3	ASP	HB2	H	2.596		2
17	1	3	ASP	HB3	H	2.408		2
18	1	3	ASP	C	C	175.693		1
19	1	3	ASP	CA	C	53.825		1
20	1	3	ASP	CB	C	41.528		1
21	1	3	ASP	N	N	124.601	0.003	1
22	1	4	ILE	H	H	8.577	0.001	1
23	1	4	ILE	HA	H	4.140		1
24	1	4	ILE	HB	H	1.870		1
25	1	4	ILE	HG12	H	1.765		2
26	1	4	ILE	HG13	H	0.873		2
27	1	4	ILE	HG21	H	0.774		1
28	1	4	ILE	HG22	H	0.774		1
29	1	4	ILE	HG23	H	0.774		1
30	1	4	ILE	HD11	H	0.792		1
31	1	4	ILE	HD12	H	0.792		1
32	1	4	ILE	HD13	H	0.792		1
33	1	4	ILE	C	C	175.617		1
34	1	4	ILE	CA	C	61.103		1
35	1	4	ILE	CB	C	39.989		1
36	1	4	ILE	CG1	C	27.965		1
37	1	4	ILE	CG2	C	18.216		1
38	1	4	ILE	CD1	C	13.567		1
39	1	4	ILE	N	N	122.435	0.017	1
40	1	5	ARG	H	H	8.188	0.004	1
41	1	5	ARG	HA	H	4.770	0.003	1
42	1	5	ARG	HB2	H	1.918		1
43	1	5	ARG	HB3	H	1.918		1
44	1	5	ARG	HG2	H	1.734		2
45	1	5	ARG	HG3	H	1.522		2
46	1	5	ARG	HD2	H	3.114		1
47	1	5	ARG	HD3	H	3.114		1
48	1	5	ARG	C	C	174.965		1
49	1	5	ARG	CA	C	55.862		1
50	1	5	ARG	CB	C	30.250		1
51	1	5	ARG	CG	C	27.812		1
52	1	5	ARG	CD	C	42.585		1
53	1	5	ARG	N	N	128.269	0.013	1
54	1	6	VAL	H	H	9.056	0.005	1
55	1	6	VAL	HA	H	4.466		1
56	1	6	VAL	HB	H	1.841	0.006	1
57	1	6	VAL	HG11	H	0.767		2
58	1	6	VAL	HG12	H	0.767		2
59	1	6	VAL	HG13	H	0.767		2
60	1	6	VAL	HG21	H	0.713		2
61	1	6	VAL	HG22	H	0.713		2
62	1	6	VAL	HG23	H	0.713		2
63	1	6	VAL	C	C	173.664		1
64	1	6	VAL	CA	C	61.019		1
65	1	6	VAL	CB	C	34.853		1
66	1	6	VAL	CG1	C	21.684		2
67	1	6	VAL	CG2	C	21.714		2
68	1	6	VAL	N	N	125.120	0.003	1
69	1	7	ASP	H	H	8.908	0.002	1
70	1	7	ASP	HA	H	5.485	0.0	1
71	1	7	ASP	HB2	H	2.567		2
72	1	7	ASP	HB3	H	2.524		2
73	1	7	ASP	C	C	175.696		1
74	1	7	ASP	CA	C	52.349		1
75	1	7	ASP	CB	C	41.941		1
76	1	7	ASP	N	N	127.983	0.011	1
77	1	8	LEU	H	H	9.664	0.003	1
78	1	8	LEU	HA	H	4.443		1
79	1	8	LEU	HB2	H	1.897		2
80	1	8	LEU	HB3	H	1.055		2
81	1	8	LEU	HG	H	1.638		1
82	1	8	LEU	HD11	H	1.057		2
83	1	8	LEU	HD12	H	1.057		2
84	1	8	LEU	HD13	H	1.057		2
85	1	8	LEU	HD21	H	0.811		2
86	1	8	LEU	HD22	H	0.811		2
87	1	8	LEU	HD23	H	0.811		2
88	1	8	LEU	C	C	173.972		1
89	1	8	LEU	CA	C	52.492		1
90	1	8	LEU	CB	C	41.916		1
91	1	8	LEU	CG	C	26.962		1
92	1	8	LEU	CD1	C	26.369		2
93	1	8	LEU	CD2	C	24.619		2
94	1	8	LEU	N	N	125.977		1
95	1	9	PRO	HA	H	4.479		1
96	1	9	PRO	HB2	H	2.275		2
97	1	9	PRO	HB3	H	1.810		2
98	1	9	PRO	HG2	H	2.104		2
99	1	9	PRO	HG3	H	1.949		2
100	1	9	PRO	HD2	H	3.964		2
101	1	9	PRO	HD3	H	3.309		2
102	1	9	PRO	C	C	176.789		1
103	1	9	PRO	CA	C	61.993		1
104	1	9	PRO	CB	C	31.493		1
105	1	9	PRO	CG	C	27.628		1
106	1	9	PRO	CD	C	50.326		1
107	1	10	ALA	H	H	8.662	0.002	1
108	1	10	ALA	HA	H	4.280	0.001	1
109	1	10	ALA	HB1	H	1.433	0.001	1
110	1	10	ALA	HB2	H	1.433	0.001	1
111	1	10	ALA	HB3	H	1.433	0.001	1
112	1	10	ALA	C	C	180.038		1
113	1	10	ALA	CA	C	52.064		1
114	1	10	ALA	CB	C	18.762		1
115	1	10	ALA	N	N	124.516	0.008	1
116	1	11	SER	H	H	9.339	0.007	1
117	1	11	SER	N	N	118.424	0.006	1
118	1	12	SER	HA	H	4.417		1
119	1	12	SER	HB2	H	4.049		2
120	1	12	SER	HB3	H	3.797		2
121	1	12	SER	C	C	174.191		1
122	1	12	SER	CA	C	57.556		1
123	1	12	SER	CB	C	63.508		1
124	1	13	ALA	H	H	7.523	0.005	1
125	1	13	ALA	HA	H	4.250	0.006	1
126	1	13	ALA	HB1	H	1.441	0.001	1
127	1	13	ALA	HB2	H	1.441	0.001	1
128	1	13	ALA	HB3	H	1.441	0.001	1
129	1	13	ALA	C	C	177.512		1
130	1	13	ALA	CA	C	52.534		1
131	1	13	ALA	CB	C	20.000	0.003	1
132	1	13	ALA	N	N	125.046	0.009	1
133	1	14	LYS	H	H	8.529	0.001	1
134	1	14	LYS	HA	H	4.583		1
135	1	14	LYS	HB2	H	1.834		2
136	1	14	LYS	HB3	H	1.704		2
137	1	14	LYS	HG2	H	1.560		2
138	1	14	LYS	HG3	H	1.505		2
139	1	14	LYS	HD2	H	1.696		1
140	1	14	LYS	HE2	H	3.015		1
141	1	14	LYS	HE3	H	3.015		1
142	1	14	LYS	C	C	174.782		1
143	1	14	LYS	CA	C	53.941		1
144	1	14	LYS	CB	C	32.118		1
145	1	14	LYS	CG	C	24.772		1
146	1	14	LYS	CD	C	29.130		1
147	1	14	LYS	CE	C	42.196		1
148	1	14	LYS	N	N	122.735	0.008	1
149	1	15	PRO	HA	H	4.422		1
150	1	15	PRO	HB2	H	2.355		2
151	1	15	PRO	HB3	H	1.874		2
152	1	15	PRO	HG2	H	2.053		1
153	1	15	PRO	HG3	H	2.053		1
154	1	15	PRO	HD2	H	3.849		2
155	1	15	PRO	HD3	H	3.627		2
156	1	15	PRO	C	C	176.752		1
157	1	15	PRO	CA	C	63.063		1
158	1	15	PRO	CB	C	32.186		1
159	1	15	PRO	CG	C	27.479		1
160	1	15	PRO	CD	C	50.655		1
161	1	16	GLN	H	H	8.746	0.001	1
162	1	16	GLN	HA	H	4.636		1
163	1	16	GLN	HB2	H	2.124		2
164	1	16	GLN	HB3	H	1.978		2
165	1	16	GLN	HG2	H	2.492	0.003	2
166	1	16	GLN	HG3	H	2.489		2
167	1	16	GLN	HE21	H	6.971		1
168	1	16	GLN	HE22	H	7.628		1
169	1	16	GLN	C	C	174.331		1
170	1	16	GLN	CA	C	53.384		1
171	1	16	GLN	CB	C	29.014		1
172	1	16	GLN	CG	C	33.654		1
173	1	16	GLN	N	N	123.655	0.005	1
174	1	16	GLN	NE2	N	112.825	0.002	1
175	1	17	PRO	HA	H	4.403		1
176	1	17	PRO	HB2	H	2.298		2
177	1	17	PRO	HB3	H	1.852		2
178	1	17	PRO	HG2	H	2.003		1
179	1	17	PRO	HG3	H	2.003		1
180	1	17	PRO	HD2	H	3.816		2
181	1	17	PRO	HD3	H	3.628		2
182	1	17	PRO	C	C	177.057		1
183	1	17	PRO	CA	C	63.031		1
184	1	17	PRO	CB	C	32.130		1
185	1	17	PRO	CG	C	27.443		1
186	1	17	PRO	CD	C	50.638		1
187	1	18	ARG	H	H	8.595	0.002	1
188	1	18	ARG	HA	H	4.503		1
189	1	18	ARG	HB2	H	1.554		2
190	1	18	ARG	HB3	H	1.347		2
191	1	18	ARG	HG2	H	1.378		2
192	1	18	ARG	HG3	H	1.675		2
193	1	18	ARG	HD2	H	2.805		2
194	1	18	ARG	HD3	H	2.093		2
195	1	18	ARG	C	C	174.049		1
196	1	18	ARG	CA	C	54.661		1
197	1	18	ARG	CB	C	29.810		1
198	1	18	ARG	CG	C	27.897		1
199	1	18	ARG	CD	C	43.300		1
200	1	18	ARG	N	N	123.042	0.008	1
201	1	19	PRO	HA	H	4.475		1
202	1	19	PRO	HB2	H	2.421		2
203	1	19	PRO	HB3	H	1.680		2
204	1	19	PRO	HG2	H	2.228		2
205	1	19	PRO	HG3	H	2.063		2
206	1	19	PRO	HD2	H	3.326		2
207	1	19	PRO	HD3	H	4.013		2
208	1	19	PRO	C	C	175.117		1
209	1	19	PRO	CA	C	62.429		1
210	1	19	PRO	CB	C	32.488		1
211	1	19	PRO	CG	C	27.566		1
212	1	19	PRO	CD	C	50.661		1
213	1	20	GLU	H	H	8.472	0.002	1
214	1	20	GLU	HA	H	3.940	0.001	1
215	1	20	GLU	HB2	H	1.986		1
216	1	20	GLU	HB3	H	1.986		1
217	1	20	GLU	HG2	H	2.344		2
218	1	20	GLU	HG3	H	2.279		2
219	1	20	GLU	C	C	176.828		1
220	1	20	GLU	CA	C	58.685		1
221	1	20	GLU	CB	C	29.955		1
222	1	20	GLU	CG	C	36.429		1
223	1	20	GLU	N	N	120.163	0.002	1
224	1	21	LYS	H	H	8.418	0.0	1
225	1	21	LYS	HA	H	4.522		1
226	1	21	LYS	HB2	H	1.754		1
227	1	21	LYS	HB3	H	1.754		1
228	1	21	LYS	HG2	H	1.360		2
229	1	21	LYS	HG3	H	1.338		2
230	1	21	LYS	HD2	H	1.679		1
231	1	21	LYS	C	C	173.168		1
232	1	21	LYS	CA	C	53.765		1
233	1	21	LYS	CB	C	32.023		1
234	1	21	LYS	CG	C	24.723		1
235	1	21	LYS	CD	C	29.240		1
236	1	21	LYS	CE	C	42.179		1
237	1	21	LYS	N	N	117.525	0.005	1
238	1	22	PRO	HA	H	4.371		1
239	1	22	PRO	HB2	H	1.571		2
240	1	22	PRO	HB3	H	1.008		2
241	1	22	PRO	HG2	H	1.765		2
242	1	22	PRO	HG3	H	1.669		2
243	1	22	PRO	HD2	H	3.689		2
244	1	22	PRO	HD3	H	3.425		2
245	1	22	PRO	C	C	176.208		1
246	1	22	PRO	CA	C	62.157		1
247	1	22	PRO	CB	C	32.046		1
248	1	22	PRO	CG	C	27.188		1
249	1	22	PRO	CD	C	50.368		1
250	1	23	VAL	H	H	9.280	0.006	1
251	1	23	VAL	HA	H	3.873		1
252	1	23	VAL	HB	H	2.109		1
253	1	23	VAL	HG11	H	0.879		2
254	1	23	VAL	HG12	H	0.879		2
255	1	23	VAL	HG13	H	0.879		2
256	1	23	VAL	HG21	H	0.675		2
257	1	23	VAL	HG22	H	0.675		2
258	1	23	VAL	HG23	H	0.675		2
259	1	23	VAL	C	C	173.496		1
260	1	23	VAL	CA	C	62.695		1
261	1	23	VAL	CB	C	31.650		1
262	1	23	VAL	CG1	C	21.655		2
263	1	23	VAL	CG2	C	21.654		2
264	1	23	VAL	N	N	124.376	0.015	1
265	1	24	PHE	H	H	8.370	0.004	1
266	1	24	PHE	HA	H	5.451	0.004	1
267	1	24	PHE	HB2	H	2.852		2
268	1	24	PHE	HB3	H	2.772		2
269	1	24	PHE	HD1	H	7.092	0.002	1
270	1	24	PHE	HD2	H	7.092	0.002	1
271	1	24	PHE	HE1	H	6.960		1
272	1	24	PHE	HE2	H	6.960		1
273	1	24	PHE	HZ	H	6.979		1
274	1	24	PHE	C	C	174.968		1
275	1	24	PHE	CA	C	56.843		1
276	1	24	PHE	CB	C	41.726		1
277	1	24	PHE	CD1	C	131.909	0.004	1
278	1	24	PHE	CD2	C	131.909	0.004	1
279	1	24	PHE	CE1	C	130.684		1
280	1	24	PHE	CE2	C	130.684		1
281	1	24	PHE	CZ	C	128.950		1
282	1	24	PHE	N	N	125.749	0.008	1
283	1	25	LEU	H	H	9.458	0.005	1
284	1	25	LEU	HA	H	5.377		1
285	1	25	LEU	HB2	H	1.783		2
286	1	25	LEU	HB3	H	1.200		2
287	1	25	LEU	HG	H	1.589		1
288	1	25	LEU	HD11	H	0.771		2
289	1	25	LEU	HD12	H	0.771		2
290	1	25	LEU	HD13	H	0.771		2
291	1	25	LEU	HD21	H	0.870		2
292	1	25	LEU	HD22	H	0.870		2
293	1	25	LEU	HD23	H	0.870		2
294	1	25	LEU	C	C	174.855		1
295	1	25	LEU	CA	C	53.276		1
296	1	25	LEU	CB	C	45.793		1
297	1	25	LEU	CG	C	27.980		1
298	1	25	LEU	CD1	C	26.733		2
299	1	25	LEU	CD2	C	25.897		2
300	1	25	LEU	N	N	128.264	0.019	1
301	1	26	SER	H	H	9.225	0.003	1
302	1	26	SER	HA	H	5.554		1
303	1	26	SER	HB2	H	3.611		2
304	1	26	SER	HB3	H	3.558		2
305	1	26	SER	C	C	173.004		1
306	1	26	SER	CA	C	56.211		1
307	1	26	SER	CB	C	65.585		1
308	1	26	SER	N	N	118.698	0.007	1
309	1	27	VAL	H	H	8.031	0.002	1
310	1	27	VAL	HA	H	4.949	0.007	1
311	1	27	VAL	HB	H	1.839		1
312	1	27	VAL	HG11	H	0.956		2
313	1	27	VAL	HG12	H	0.956		2
314	1	27	VAL	HG13	H	0.956		2
315	1	27	VAL	HG21	H	0.852		2
316	1	27	VAL	HG22	H	0.852		2
317	1	27	VAL	HG23	H	0.852		2
318	1	27	VAL	C	C	175.830		1
319	1	27	VAL	CA	C	60.553		1
320	1	27	VAL	CB	C	33.650		1
321	1	27	VAL	CG1	C	21.667		2
322	1	27	VAL	CG2	C	21.796		2
323	1	27	VAL	N	N	121.107	0.014	1
324	1	28	LYS	H	H	8.142	0.003	1
325	1	28	LYS	HA	H	4.529		1
326	1	28	LYS	HB2	H	2.189		2
327	1	28	LYS	HB3	H	2.039		2
328	1	28	LYS	HG2	H	1.389		2
329	1	28	LYS	HG3	H	1.297		2
330	1	28	LYS	HD2	H	1.426		2
331	1	28	LYS	HD3	H	1.291		2
332	1	28	LYS	HE2	H	2.348		1
333	1	28	LYS	HE3	H	2.348		1
334	1	28	LYS	C	C	177.483		1
335	1	28	LYS	CA	C	54.610		1
336	1	28	LYS	CB	C	33.271		1
337	1	28	LYS	CG	C	25.638		1
338	1	28	LYS	CD	C	27.852		1
339	1	28	LYS	CE	C	41.671		1
340	1	28	LYS	N	N	125.146	0.012	1
341	1	29	ALA	H	H	8.815	0.003	1
342	1	29	ALA	HA	H	3.906		1
343	1	29	ALA	HB1	H	1.440		1
344	1	29	ALA	HB2	H	1.440		1
345	1	29	ALA	HB3	H	1.440		1
346	1	29	ALA	C	C	177.674		1
347	1	29	ALA	CA	C	54.877		1
348	1	29	ALA	CB	C	18.500		1
349	1	29	ALA	N	N	121.611		1
350	1	30	ASP	H	H	7.934		1
351	1	30	ASP	HA	H	4.445		1
352	1	30	ASP	HB2	H	3.026		2
353	1	30	ASP	HB3	H	2.599		2
354	1	30	ASP	C	C	176.228		1
355	1	30	ASP	CA	C	53.514		1
356	1	30	ASP	CB	C	39.297		1
357	1	30	ASP	N	N	115.356		1
358	1	31	LYS	H	H	8.509		1
359	1	31	LYS	HA	H	3.592		1
360	1	31	LYS	HB2	H	2.252		2
361	1	31	LYS	HB3	H	2.021		2
362	1	31	LYS	HG2	H	1.409		2
363	1	31	LYS	HG3	H	1.349		2
364	1	31	LYS	HD2	H	1.768		2
365	1	31	LYS	HD3	H	1.679		2
366	1	31	LYS	HE2	H	3.055		1
367	1	31	LYS	HE3	H	3.055		1
368	1	31	LYS	C	C	174.712		1
369	1	31	LYS	CA	C	58.415		1
370	1	31	LYS	CB	C	29.312		1
371	1	31	LYS	CG	C	26.103		1
372	1	31	LYS	CD	C	29.403		1
373	1	31	LYS	CE	C	42.321		1
374	1	31	LYS	N	N	112.877		1
375	1	32	GLN	H	H	7.795	0.001	1
376	1	32	GLN	HA	H	4.152		1
377	1	32	GLN	HB2	H	2.099		2
378	1	32	GLN	HB3	H	2.053	0.0	2
379	1	32	GLN	HG2	H	2.112	0.001	1
380	1	32	GLN	HE21	H	6.863	0.001	1
381	1	32	GLN	HE22	H	7.968		1
382	1	32	GLN	C	C	174.526		1
383	1	32	GLN	CA	C	56.144		1
384	1	32	GLN	CB	C	30.186		1
385	1	32	GLN	CG	C	34.457		1
386	1	32	GLN	N	N	119.273	0.005	1
387	1	32	GLN	NE2	N	116.902	0.003	1
388	1	33	LEU	H	H	8.246	0.001	1
389	1	33	LEU	HA	H	5.195	0.001	1
390	1	33	LEU	HB2	H	1.984	0.007	2
391	1	33	LEU	HB3	H	1.229	0.007	2
392	1	33	LEU	HG	H	1.815		1
393	1	33	LEU	HD11	H	0.842		2
394	1	33	LEU	HD12	H	0.842		2
395	1	33	LEU	HD13	H	0.842		2
396	1	33	LEU	HD21	H	0.876		2
397	1	33	LEU	HD22	H	0.876		2
398	1	33	LEU	HD23	H	0.876		2
399	1	33	LEU	C	C	177.090		1
400	1	33	LEU	CA	C	54.159		1
401	1	33	LEU	CB	C	44.036		1
402	1	33	LEU	CG	C	27.183		1
403	1	33	LEU	CD1	C	25.196		2
404	1	33	LEU	CD2	C	25.328		2
405	1	33	LEU	N	N	124.238	0.006	1
406	1	34	TYR	H	H	9.133	0.002	1
407	1	34	TYR	HA	H	5.145	0.001	1
408	1	34	TYR	HB2	H	2.745	0.007	2
409	1	34	TYR	HB3	H	2.675	0.001	2
410	1	34	TYR	HD1	H	6.706		1
411	1	34	TYR	HD2	H	6.706		1
412	1	34	TYR	HE1	H	6.659	0.004	1
413	1	34	TYR	HE2	H	6.659	0.004	1
414	1	34	TYR	C	C	175.991		1
415	1	34	TYR	CA	C	56.874		1
416	1	34	TYR	CB	C	42.404		1
417	1	34	TYR	CD1	C	132.703		1
418	1	34	TYR	CD2	C	132.703		1
419	1	34	TYR	CE1	C	118.155	0.017	1
420	1	34	TYR	CE2	C	118.155	0.017	1
421	1	34	TYR	N	N	120.534	0.01	1
422	1	35	VAL	H	H	8.636	0.001	1
423	1	35	VAL	HB	H	1.832	0.006	1
424	1	35	VAL	HG11	H	0.779	0.004	1
425	1	35	VAL	HG12	H	0.779	0.004	1
426	1	35	VAL	HG13	H	0.779	0.004	1
427	1	35	VAL	HG21	H	0.779	0.004	1
428	1	35	VAL	HG22	H	0.779	0.004	1
429	1	35	VAL	HG23	H	0.779	0.004	1
430	1	35	VAL	C	C	177.773		1
431	1	35	VAL	CA	C	61.394		1
432	1	35	VAL	CB	C	32.064		1
433	1	35	VAL	CG1	C	21.471		1
434	1	35	VAL	CG2	C	21.471		1
435	1	35	VAL	N	N	120.791	0.008	1
436	1	36	GLY	H	H	9.125	0.004	1
437	1	36	GLY	HA2	H	4.123	0.015	2
438	1	36	GLY	HA3	H	3.780	0.002	2
439	1	36	GLY	C	C	174.798		1
440	1	36	GLY	CA	C	47.586		1
441	1	36	GLY	N	N	118.804	0.006	1
442	1	37	ASP	H	H	8.863		1
443	1	37	ASP	HA	H	4.658		1
444	1	37	ASP	HB2	H	2.761		1
445	1	37	ASP	HB3	H	2.761		1
446	1	37	ASP	C	C	175.453		1
447	1	37	ASP	CA	C	54.047		1
448	1	37	ASP	CB	C	40.949		1
449	1	37	ASP	N	N	125.980		1
450	1	38	GLN	H	H	8.230	0.003	1
451	1	38	GLN	HA	H	4.891		1
452	1	38	GLN	HB2	H	2.265		2
453	1	38	GLN	HB3	H	2.061		2
454	1	38	GLN	HG2	H	2.367		1
455	1	38	GLN	HG3	H	2.367		1
456	1	38	GLN	HE21	H	7.613		1
457	1	38	GLN	HE22	H	6.951		1
458	1	38	GLN	C	C	172.750		1
459	1	38	GLN	CA	C	52.755		1
460	1	38	GLN	CB	C	30.607		1
461	1	38	GLN	CG	C	32.821		1
462	1	38	GLN	N	N	122.570	0.019	1
463	1	38	GLN	NE2	N	112.277		1
464	1	39	PRO	HA	H	4.166	0.0	1
465	1	39	PRO	HB2	H	1.657		2
466	1	39	PRO	HB3	H	1.584		2
467	1	39	PRO	HG2	H	2.086		2
468	1	39	PRO	HG3	H	1.967		2
469	1	39	PRO	HD2	H	3.927		2
470	1	39	PRO	HD3	H	3.863		2
471	1	39	PRO	C	C	177.079		1
472	1	39	PRO	CA	C	62.194		1
473	1	39	PRO	CB	C	31.370		1
474	1	39	PRO	CG	C	26.994		1
475	1	39	PRO	CD	C	50.787		1
476	1	40	VAL	H	H	8.228	0.003	1
477	1	40	VAL	HA	H	4.486		1
478	1	40	VAL	HB	H	1.899		1
479	1	40	VAL	HG11	H	0.795		2
480	1	40	VAL	HG12	H	0.795		2
481	1	40	VAL	HG13	H	0.795		2
482	1	40	VAL	HG21	H	0.711		2
483	1	40	VAL	HG22	H	0.711		2
484	1	40	VAL	HG23	H	0.711		2
485	1	40	VAL	C	C	173.945		1
486	1	40	VAL	CA	C	59.461		1
487	1	40	VAL	CB	C	35.798		1
488	1	40	VAL	CG1	C	21.843		2
489	1	40	VAL	CG2	C	20.851		2
490	1	40	VAL	N	N	118.682	0.022	1
491	1	41	ASN	H	H	8.300	0.001	1
492	1	41	ASN	HA	H	4.844		1
493	1	41	ASN	HB2	H	2.887	0.002	2
494	1	41	ASN	HB3	H	2.823	0.003	2
495	1	41	ASN	HD21	H	6.974	0.001	1
496	1	41	ASN	HD22	H	7.740	0.002	1
497	1	41	ASN	C	C	177.000		1
498	1	41	ASN	CA	C	51.880		1
499	1	41	ASN	CB	C	39.312		1
500	1	41	ASN	N	N	121.013	0.01	1
501	1	41	ASN	ND2	N	113.275	0.005	1
502	1	42	ALA	H	H	9.025	0.001	1
503	1	42	ALA	HA	H	3.824	0.007	1
504	1	42	ALA	HB1	H	1.481	0.001	1
505	1	42	ALA	HB2	H	1.481	0.001	1
506	1	42	ALA	HB3	H	1.481	0.001	1
507	1	42	ALA	C	C	179.138		1
508	1	42	ALA	CA	C	56.182		1
509	1	42	ALA	CB	C	18.131		1
510	1	42	ALA	N	N	123.960	0.004	1
511	1	43	ASP	H	H	8.414	0.001	1
512	1	43	ASP	HA	H	4.462	0.008	1
513	1	43	ASP	HB2	H	2.778		2
514	1	43	ASP	HB3	H	2.696	0.001	2
515	1	43	ASP	C	C	177.197		1
516	1	43	ASP	CA	C	55.799		1
517	1	43	ASP	CB	C	39.986		1
518	1	43	ASP	N	N	114.493	0.01	1
519	1	44	GLN	H	H	7.798	0.005	1
520	1	44	GLN	HA	H	4.546	0.008	1
521	1	44	GLN	HB2	H	2.286	0.002	2
522	1	44	GLN	HB3	H	2.034	0.001	2
523	1	44	GLN	HG2	H	2.425	0.0	2
524	1	44	GLN	HG3	H	2.424	0.0	2
525	1	44	GLN	HE21	H	7.534		1
526	1	44	GLN	HE22	H	6.860		1
527	1	44	GLN	C	C	176.086		1
528	1	44	GLN	CA	C	55.276		1
529	1	44	GLN	CB	C	30.463		1
530	1	44	GLN	CG	C	34.014		1
531	1	44	GLN	N	N	117.716	0.007	1
532	1	44	GLN	NE2	N	112.618	0.024	1
533	1	45	LEU	H	H	7.317	0.001	1
534	1	45	LEU	HA	H	3.760	0.005	1
535	1	45	LEU	HB2	H	1.807	0.011	2
536	1	45	LEU	HB3	H	1.483	0.005	2
537	1	45	LEU	HG	H	1.441		1
538	1	45	LEU	HD11	H	0.752		2
539	1	45	LEU	HD12	H	0.752		2
540	1	45	LEU	HD13	H	0.752		2
541	1	45	LEU	HD21	H	0.781		2
542	1	45	LEU	HD22	H	0.781		2
543	1	45	LEU	HD23	H	0.781		2
544	1	45	LEU	C	C	177.366		1
545	1	45	LEU	CA	C	59.368		1
546	1	45	LEU	CB	C	42.109		1
547	1	45	LEU	CG	C	27.095		1
548	1	45	LEU	CD1	C	24.472		2
549	1	45	LEU	CD2	C	25.487		2
550	1	45	LEU	N	N	120.568	0.012	1
551	1	46	THR	H	H	8.602	0.002	1
552	1	46	THR	HA	H	3.710	0.004	1
553	1	46	THR	HB	H	4.262		1
554	1	46	THR	HG21	H	1.297	0.012	1
555	1	46	THR	HG22	H	1.297	0.012	1
556	1	46	THR	HG23	H	1.297	0.012	1
557	1	46	THR	C	C	175.469		1
558	1	46	THR	CA	C	67.482		1
559	1	46	THR	CB	C	67.678		1
560	1	46	THR	CG2	C	22.477		1
561	1	46	THR	N	N	111.994	0.014	1
562	1	47	SER	H	H	7.932	0.003	1
563	1	47	SER	HA	H	4.285	0.008	1
564	1	47	SER	HB2	H	3.980	0.004	1
565	1	47	SER	HB3	H	3.980	0.004	1
566	1	47	SER	C	C	177.595		1
567	1	47	SER	CA	C	61.464		1
568	1	47	SER	CB	C	62.813		1
569	1	47	SER	N	N	116.073	0.012	1
570	1	48	VAL	H	H	8.063	0.003	1
571	1	48	VAL	HA	H	3.823		1
572	1	48	VAL	HB	H	1.963	0.001	1
573	1	48	VAL	HG11	H	1.054	0.001	2
574	1	48	VAL	HG12	H	1.054	0.001	2
575	1	48	VAL	HG13	H	1.054	0.001	2
576	1	48	VAL	HG21	H	0.876	0.001	2
577	1	48	VAL	HG22	H	0.876	0.001	2
578	1	48	VAL	HG23	H	0.876	0.001	2
579	1	48	VAL	C	C	178.917		1
580	1	48	VAL	CA	C	66.703		1
581	1	48	VAL	CB	C	31.870		1
582	1	48	VAL	CG1	C	23.091		2
583	1	48	VAL	CG2	C	21.180		2
584	1	48	VAL	N	N	122.912	0.008	1
585	1	49	LEU	H	H	8.657	0.005	1
586	1	49	LEU	HA	H	3.823	0.002	1
587	1	49	LEU	HB2	H	1.739	0.016	2
588	1	49	LEU	HB3	H	0.725	0.019	2
589	1	49	LEU	HG	H	0.261	0.002	1
590	1	49	LEU	HD11	H	0.435	0.002	1
591	1	49	LEU	HD12	H	0.435	0.002	1
592	1	49	LEU	HD13	H	0.435	0.002	1
593	1	49	LEU	HD21	H	0.435	0.002	1
594	1	49	LEU	HD22	H	0.435	0.002	1
595	1	49	LEU	HD23	H	0.435	0.002	1
596	1	49	LEU	C	C	179.053		1
597	1	49	LEU	CA	C	58.771		1
598	1	49	LEU	CB	C	41.510		1
599	1	49	LEU	CG	C	25.951		1
600	1	49	LEU	CD1	C	23.131		1
601	1	49	LEU	CD2	C	23.131		1
602	1	49	LEU	N	N	120.117	0.013	1
603	1	50	ASP	H	H	8.754	0.003	1
604	1	50	ASP	HA	H	4.294	0.002	1
605	1	50	ASP	HB2	H	3.014	0.002	2
606	1	50	ASP	HB3	H	2.602		2
607	1	50	ASP	C	C	179.673		1
608	1	50	ASP	CA	C	57.615		1
609	1	50	ASP	CB	C	39.584		1
610	1	50	ASP	N	N	117.617	0.012	1
611	1	51	GLN	H	H	7.958	0.002	1
612	1	51	GLN	HA	H	4.127	0.0	1
613	1	51	GLN	HB2	H	2.332	0.001	1
614	1	51	GLN	HB3	H	2.332	0.001	1
615	1	51	GLN	HG2	H	2.635	0.005	2
616	1	51	GLN	HG3	H	2.449	0.004	2
617	1	51	GLN	HE21	H	7.438		1
618	1	51	GLN	HE22	H	6.850	0.001	1
619	1	51	GLN	C	C	178.964		1
620	1	51	GLN	CA	C	59.250		1
621	1	51	GLN	CB	C	28.393		1
622	1	51	GLN	CG	C	34.036		1
623	1	51	GLN	N	N	119.783	0.014	1
624	1	51	GLN	NE2	N	111.739	0.003	1
625	1	52	ARG	H	H	8.133	0.003	1
626	1	52	ARG	HA	H	4.263	0.004	1
627	1	52	ARG	HB2	H	2.085	0.001	2
628	1	52	ARG	HB3	H	2.011	0.003	2
629	1	52	ARG	HG2	H	1.946	0.0	2
630	1	52	ARG	HG3	H	1.601	0.007	2
631	1	52	ARG	HD2	H	3.258		1
632	1	52	ARG	HD3	H	3.258		1
633	1	52	ARG	C	C	178.572		1
634	1	52	ARG	CA	C	57.007		1
635	1	52	ARG	CB	C	30.195		1
636	1	52	ARG	CG	C	26.938		1
637	1	52	ARG	CD	C	41.902		1
638	1	52	ARG	N	N	117.729	0.01	1
639	1	53	THR	H	H	8.631	0.001	1
640	1	53	THR	HA	H	4.473		1
641	1	53	THR	HG21	H	1.348		1
642	1	53	THR	HG22	H	1.348		1
643	1	53	THR	HG23	H	1.348		1
644	1	53	THR	C	C	176.433		1
645	1	53	THR	CA	C	61.492		1
646	1	53	THR	CB	C	71.206		1
647	1	53	THR	CG2	C	20.952		1
648	1	53	THR	N	N	107.680	0.006	1
649	1	54	GLN	H	H	7.769		1
650	1	54	GLN	HA	H	3.955		1
651	1	54	GLN	HB2	H	2.367		2
652	1	54	GLN	HB3	H	2.250		2
653	1	54	GLN	HG2	H	2.348		1
654	1	54	GLN	HG3	H	2.348		1
655	1	54	GLN	HE21	H	6.828		1
656	1	54	GLN	HE22	H	7.574		1
657	1	54	GLN	C	C	175.246		1
658	1	54	GLN	CA	C	57.794		1
659	1	54	GLN	CB	C	26.105		1
660	1	54	GLN	CG	C	34.597		1
661	1	54	GLN	N	N	118.843		1
662	1	54	GLN	NE2	N	112.662		1
663	1	55	ALA	H	H	9.104		1
664	1	55	ALA	HA	H	3.655		1
665	1	55	ALA	HB1	H	1.350		1
666	1	55	ALA	HB2	H	1.350		1
667	1	55	ALA	HB3	H	1.350		1
668	1	55	ALA	C	C	174.789		1
669	1	55	ALA	CA	C	52.568		1
670	1	55	ALA	CB	C	17.014		1
671	1	55	ALA	N	N	119.732		1
672	1	56	ASN	H	H	7.629		1
673	1	56	ASN	HA	H	4.903		1
674	1	56	ASN	HB2	H	3.156		2
675	1	56	ASN	HB3	H	2.835	0.004	2
676	1	56	ASN	HD21	H	7.446	0.003	1
677	1	56	ASN	HD22	H	6.984		1
678	1	56	ASN	C	C	176.595		1
679	1	56	ASN	CA	C	51.758		1
680	1	56	ASN	CB	C	37.695		1
681	1	56	ASN	N	N	116.577		1
682	1	56	ASN	ND2	N	110.290	0.004	1
683	1	57	LYS	H	H	8.720		1
684	1	57	LYS	HA	H	3.839		1
685	1	57	LYS	HB2	H	1.958		2
686	1	57	LYS	HB3	H	1.564		2
687	1	57	LYS	HG2	H	1.086		1
688	1	57	LYS	HG3	H	1.086		1
689	1	57	LYS	HD2	H	0.852		2
690	1	57	LYS	HD3	H	0.681		2
691	1	57	LYS	HE2	H	2.796		1
692	1	57	LYS	HE3	H	2.796		1
693	1	57	LYS	C	C	177.382		1
694	1	57	LYS	CA	C	56.347		1
695	1	57	LYS	CB	C	30.064		1
696	1	57	LYS	CG	C	24.863		1
697	1	57	LYS	CD	C	27.108		1
698	1	57	LYS	CE	C	42.887		1
699	1	57	LYS	N	N	124.026		1
700	1	58	GLU	H	H	8.051		1
701	1	58	GLU	HA	H	4.245		1
702	1	58	GLU	HB2	H	2.245		2
703	1	58	GLU	HB3	H	2.040		2
704	1	58	GLU	HG2	H	2.320		2
705	1	58	GLU	HG3	H	2.205		2
706	1	58	GLU	C	C	175.587		1
707	1	58	GLU	CA	C	56.227		1
708	1	58	GLU	CB	C	28.895		1
709	1	58	GLU	CG	C	36.633		1
710	1	58	GLU	N	N	117.598		1
711	1	59	THR	H	H	7.314	0.001	1
712	1	59	THR	HA	H	3.913		1
713	1	59	THR	HB	H	4.085		1
714	1	59	THR	HG21	H	1.309		1
715	1	59	THR	HG22	H	1.309		1
716	1	59	THR	HG23	H	1.309		1
717	1	59	THR	C	C	172.565		1
718	1	59	THR	CA	C	64.006		1
719	1	59	THR	CB	C	70.672		1
720	1	59	THR	CG2	C	21.238		1
721	1	59	THR	N	N	117.600	0.011	1
722	1	60	THR	H	H	8.387		1
723	1	60	THR	HA	H	4.005		1
724	1	60	THR	HB	H	3.654		1
725	1	60	THR	HG21	H	0.012	0.013	1
726	1	60	THR	HG22	H	0.012	0.013	1
727	1	60	THR	HG23	H	0.012	0.013	1
728	1	60	THR	C	C	171.967		1
729	1	60	THR	CA	C	63.835		1
730	1	60	THR	CB	C	68.968		1
731	1	60	THR	CG2	C	21.185		1
732	1	60	THR	N	N	123.479		1
733	1	61	ILE	H	H	8.432	0.004	1
734	1	61	ILE	HA	H	4.197		1
735	1	61	ILE	HB	H	2.065		1
736	1	61	ILE	HG12	H	1.827		2
737	1	61	ILE	HG13	H	0.951		2
738	1	61	ILE	HG21	H	0.693		1
739	1	61	ILE	HG22	H	0.693		1
740	1	61	ILE	HG23	H	0.693		1
741	1	61	ILE	HD11	H	0.355		1
742	1	61	ILE	HD12	H	0.355		1
743	1	61	ILE	HD13	H	0.355		1
744	1	61	ILE	C	C	175.304		1
745	1	61	ILE	CA	C	57.562		1
746	1	61	ILE	CB	C	36.361		1
747	1	61	ILE	CG1	C	26.707		1
748	1	61	ILE	CG2	C	17.814		1
749	1	61	ILE	CD1	C	8.977		1
750	1	61	ILE	N	N	127.453	0.002	1
751	1	62	PHE	H	H	8.697	0.003	1
752	1	62	PHE	HA	H	4.841		1
753	1	62	PHE	HB2	H	2.411		1
754	1	62	PHE	HB3	H	2.411		1
755	1	62	PHE	HD1	H	6.923	0.004	1
756	1	62	PHE	HD2	H	6.923	0.004	1
757	1	62	PHE	HE1	H	7.219	0.001	1
758	1	62	PHE	HE2	H	7.219	0.001	1
759	1	62	PHE	HZ	H	7.216		1
760	1	62	PHE	C	C	173.878		1
761	1	62	PHE	CA	C	58.786		1
762	1	62	PHE	CB	C	39.628		1
763	1	62	PHE	CD1	C	131.807		1
764	1	62	PHE	CD2	C	131.807		1
765	1	62	PHE	CE1	C	130.862	0.005	1
766	1	62	PHE	CE2	C	130.862	0.005	1
767	1	62	PHE	CZ	C	128.780		1
768	1	62	PHE	N	N	127.126	0.024	1
769	1	63	PHE	H	H	9.477	0.004	1
770	1	63	PHE	HA	H	5.518		1
771	1	63	PHE	HB2	H	3.148		2
772	1	63	PHE	HB3	H	2.560		2
773	1	63	PHE	HD1	H	7.008		1
774	1	63	PHE	HD2	H	7.008		1
775	1	63	PHE	HE1	H	6.885		1
776	1	63	PHE	HE2	H	6.885		1
777	1	63	PHE	HZ	H	6.745		1
778	1	63	PHE	C	C	173.153		1
779	1	63	PHE	CA	C	56.457		1
780	1	63	PHE	CB	C	42.468		1
781	1	63	PHE	CD1	C	131.212		1
782	1	63	PHE	CD2	C	131.212		1
783	1	63	PHE	CE1	C	130.826		1
784	1	63	PHE	CE2	C	130.826		1
785	1	63	PHE	CZ	C	128.280		1
786	1	63	PHE	N	N	126.775	0.001	1
787	1	64	GLN	H	H	8.558	0.003	1
788	1	64	GLN	HA	H	4.654		1
789	1	64	GLN	HB2	H	1.929		2
790	1	64	GLN	HB3	H	1.798		2
791	1	64	GLN	HG2	H	2.210	0.001	2
792	1	64	GLN	HG3	H	2.129	0.001	2
793	1	64	GLN	HE21	H	7.001	0.0	1
794	1	64	GLN	HE22	H	6.383	0.002	1
795	1	64	GLN	C	C	172.632		1
796	1	64	GLN	CA	C	53.670		1
797	1	64	GLN	CB	C	32.068		1
798	1	64	GLN	CG	C	34.044		1
799	1	64	GLN	N	N	126.790	0.013	1
800	1	64	GLN	NE2	N	109.530	0.007	1
801	1	65	ALA	H	H	7.328	0.003	1
802	1	65	ALA	HA	H	4.818		1
803	1	65	ALA	HB1	H	0.429		1
804	1	65	ALA	HB2	H	0.429		1
805	1	65	ALA	HB3	H	0.429		1
806	1	65	ALA	C	C	175.824		1
807	1	65	ALA	CA	C	49.691		1
808	1	65	ALA	CB	C	20.318		1
809	1	65	ALA	N	N	122.990	0.015	1
810	1	66	ASP	H	H	7.289	0.001	1
811	1	66	ASP	HA	H	4.593		1
812	1	66	ASP	HB2	H	2.672		2
813	1	66	ASP	HB3	H	2.590		2
814	1	66	ASP	C	C	176.365		1
815	1	66	ASP	CA	C	54.604		1
816	1	66	ASP	CB	C	42.776		1
817	1	66	ASP	N	N	119.349	0.015	1
818	1	67	LYS	H	H	8.536		1
819	1	67	LYS	HA	H	4.156		1
820	1	67	LYS	HB2	H	1.988		1
821	1	67	LYS	HB3	H	1.988		1
822	1	67	LYS	HG2	H	1.575		1
823	1	67	LYS	HG3	H	1.575		1
824	1	67	LYS	HD2	H	1.712		1
825	1	67	LYS	HD3	H	1.712		1
826	1	67	LYS	HE2	H	3.035		1
827	1	67	LYS	HE3	H	3.035		1
828	1	67	LYS	C	C	175.632		1
829	1	67	LYS	CA	C	59.925		1
830	1	67	LYS	CB	C	33.046		1
831	1	67	LYS	CG	C	24.613		1
832	1	67	LYS	CD	C	29.540		1
833	1	67	LYS	CE	C	42.175		1
834	1	67	LYS	N	N	119.714		1
835	1	68	SER	H	H	8.031		1
836	1	68	SER	HA	H	4.553		1
837	1	68	SER	HB2	H	4.166		2
838	1	68	SER	HB3	H	3.942		2
839	1	68	SER	C	C	175.514		1
840	1	68	SER	CA	C	58.986		1
841	1	68	SER	CB	C	64.576		1
842	1	68	SER	N	N	109.540		1
843	1	69	VAL	H	H	7.888	0.0	1
844	1	69	VAL	HA	H	3.863		1
845	1	69	VAL	HB	H	2.063		1
846	1	69	VAL	HG11	H	0.963		1
847	1	69	VAL	HG12	H	0.963		1
848	1	69	VAL	HG13	H	0.963		1
849	1	69	VAL	HG21	H	1.030		1
850	1	69	VAL	HG22	H	1.030		1
851	1	69	VAL	HG23	H	1.030		1
852	1	69	VAL	C	C	175.354		1
853	1	69	VAL	CA	C	64.678		1
854	1	69	VAL	CB	C	31.686		1
855	1	69	VAL	CG1	C	24.530		1
856	1	69	VAL	CG2	C	20.682		1
857	1	69	VAL	N	N	125.916		1
858	1	70	ASP	H	H	8.320	0.003	1
859	1	70	ASP	HA	H	5.162	0.002	1
860	1	70	ASP	HB2	H	3.645	0.009	2
861	1	70	ASP	HB3	H	2.688		2
862	1	70	ASP	C	C	176.431		1
863	1	70	ASP	CA	C	53.106		1
864	1	70	ASP	CB	C	42.835		1
865	1	70	ASP	N	N	125.857		1
866	1	71	TYR	H	H	8.492	0.003	1
867	1	71	TYR	HA	H	4.234		1
868	1	71	TYR	HB2	H	3.176	0.007	2
869	1	71	TYR	HB3	H	3.071	0.002	2
870	1	71	TYR	HD1	H	6.971	0.005	1
871	1	71	TYR	HD2	H	6.971	0.005	1
872	1	71	TYR	HE1	H	6.840	0.004	1
873	1	71	TYR	HE2	H	6.840	0.004	1
874	1	71	TYR	C	C	177.587		1
875	1	71	TYR	CA	C	62.037		1
876	1	71	TYR	CB	C	39.678		1
877	1	71	TYR	CD1	C	133.053	0.023	1
878	1	71	TYR	CD2	C	133.053	0.023	1
879	1	71	TYR	CE1	C	117.773	0.001	1
880	1	71	TYR	CE2	C	117.773	0.001	1
881	1	71	TYR	N	N	123.022	0.011	1
882	1	72	GLU	H	H	8.524	0.003	1
883	1	72	GLU	HA	H	3.989	0.004	1
884	1	72	GLU	HB2	H	2.163	0.02	2
885	1	72	GLU	HB3	H	2.130	0.006	2
886	1	72	GLU	HG2	H	2.253	0.002	1
887	1	72	GLU	HG3	H	2.253	0.002	1
888	1	72	GLU	C	C	179.386		1
889	1	72	GLU	CA	C	59.811		1
890	1	72	GLU	CB	C	29.739		1
891	1	72	GLU	CG	C	36.157		1
892	1	72	GLU	N	N	118.050	0.015	1
893	1	73	THR	H	H	8.666	0.002	1
894	1	73	THR	HA	H	3.917	0.007	1
895	1	73	THR	HB	H	4.441	0.005	1
896	1	73	THR	HG21	H	1.189	0.003	1
897	1	73	THR	HG22	H	1.189	0.003	1
898	1	73	THR	HG23	H	1.189	0.003	1
899	1	73	THR	C	C	176.366		1
900	1	73	THR	CA	C	67.347		1
901	1	73	THR	CB	C	67.394		1
902	1	73	THR	CG2	C	21.197		1
903	1	73	THR	N	N	120.087	0.008	1
904	1	74	LEU	H	H	8.485	0.003	1
905	1	74	LEU	HA	H	3.736	0.002	1
906	1	74	LEU	HB2	H	1.504	0.001	2
907	1	74	LEU	HB3	H	1.934	0.003	2
908	1	74	LEU	HG	H	1.339	0.002	1
909	1	74	LEU	HD11	H	0.770	0.004	2
910	1	74	LEU	HD12	H	0.770	0.004	2
911	1	74	LEU	HD13	H	0.770	0.004	2
912	1	74	LEU	HD21	H	0.682	0.005	2
913	1	74	LEU	HD22	H	0.682	0.005	2
914	1	74	LEU	HD23	H	0.682	0.005	2
915	1	74	LEU	C	C	178.397		1
916	1	74	LEU	CA	C	59.358		1
917	1	74	LEU	CB	C	42.104		1
918	1	74	LEU	CG	C	26.923		1
919	1	74	LEU	CD1	C	25.670	0.024	2
920	1	74	LEU	CD2	C	25.460	0.023	2
921	1	74	LEU	N	N	123.242	0.017	1
922	1	75	MET	H	H	8.462	0.003	1
923	1	75	MET	HA	H	4.128		1
924	1	75	MET	HB2	H	2.068		2
925	1	75	MET	HB3	H	1.766		2
926	1	75	MET	HG2	H	2.209	0.0	2
927	1	75	MET	HG3	H	1.799	0.0	2
928	1	75	MET	HE1	H	1.717		1
929	1	75	MET	HE2	H	1.717		1
930	1	75	MET	HE3	H	1.717		1
931	1	75	MET	C	C	179.002		1
932	1	75	MET	CA	C	56.815		1
933	1	75	MET	CB	C	32.273		1
934	1	75	MET	CG	C	33.596		1
935	1	75	MET	CE	C	18.602		1
936	1	75	MET	N	N	115.319	0.013	1
937	1	76	SER	H	H	8.156	0.002	1
938	1	76	SER	HA	H	4.335	0.009	1
939	1	76	SER	HB2	H	4.152		1
940	1	76	SER	HB3	H	4.152		1
941	1	76	SER	C	C	177.737		1
942	1	76	SER	CA	C	61.410		1
943	1	76	SER	CB	C	62.909		1
944	1	76	SER	N	N	117.133	0.014	1
945	1	77	VAL	H	H	8.341	0.004	1
946	1	77	VAL	HA	H	3.626	0.002	1
947	1	77	VAL	HB	H	2.142	0.004	1
948	1	77	VAL	HG11	H	1.097	0.007	2
949	1	77	VAL	HG12	H	1.097	0.007	2
950	1	77	VAL	HG13	H	1.097	0.007	2
951	1	77	VAL	HG21	H	0.780	0.001	2
952	1	77	VAL	HG22	H	0.780	0.001	2
953	1	77	VAL	HG23	H	0.780	0.001	2
954	1	77	VAL	C	C	178.147		1
955	1	77	VAL	CA	C	67.032		1
956	1	77	VAL	CB	C	31.144		1
957	1	77	VAL	CG1	C	23.084		2
958	1	77	VAL	CG2	C	22.296		2
959	1	77	VAL	N	N	123.302	0.015	1
960	1	78	MET	H	H	8.202	0.004	1
961	1	78	MET	HA	H	4.181	0.01	1
962	1	78	MET	HB2	H	2.297	0.0	2
963	1	78	MET	HB3	H	1.790	0.003	2
964	1	78	MET	HG2	H	2.570	0.001	2
965	1	78	MET	HG3	H	2.476	0.007	2
966	1	78	MET	HE1	H	1.401	0.001	1
967	1	78	MET	HE2	H	1.401	0.001	1
968	1	78	MET	HE3	H	1.401	0.001	1
969	1	78	MET	C	C	178.096		1
970	1	78	MET	CA	C	58.369		1
971	1	78	MET	CB	C	32.338		1
972	1	78	MET	CG	C	33.592		1
973	1	78	MET	CE	C	18.576		1
974	1	78	MET	N	N	118.010	0.008	1
975	1	79	ASP	H	H	8.219	0.002	1
976	1	79	ASP	HA	H	4.401	0.001	1
977	1	79	ASP	HB2	H	2.845	0.001	2
978	1	79	ASP	HB3	H	2.776	0.005	2
979	1	79	ASP	C	C	178.206		1
980	1	79	ASP	CA	C	57.884		1
981	1	79	ASP	CB	C	41.545		1
982	1	79	ASP	N	N	119.257	0.007	1
983	1	80	THR	H	H	8.099	0.007	1
984	1	80	THR	HA	H	3.840	0.006	1
985	1	80	THR	HB	H	4.395		1
986	1	80	THR	HG21	H	1.274	0.01	1
987	1	80	THR	HG22	H	1.274	0.01	1
988	1	80	THR	HG23	H	1.274	0.01	1
989	1	80	THR	C	C	177.171		1
990	1	80	THR	CA	C	67.281		1
991	1	80	THR	CB	C	68.357		1
992	1	80	THR	CG2	C	22.834		1
993	1	80	THR	N	N	117.733	0.01	1
994	1	81	LEU	H	H	8.399	0.006	1
995	1	81	LEU	HA	H	3.919		1
996	1	81	LEU	HB2	H	1.994		2
997	1	81	LEU	HB3	H	1.863	0.002	2
998	1	81	LEU	HG	H	1.686		1
999	1	81	LEU	HD11	H	0.739	0.003	2
1000	1	81	LEU	HD12	H	0.739	0.003	2
1001	1	81	LEU	HD13	H	0.739	0.003	2
1002	1	81	LEU	HD21	H	0.657	0.002	2
1003	1	81	LEU	HD22	H	0.657	0.002	2
1004	1	81	LEU	HD23	H	0.657	0.002	2
1005	1	81	LEU	C	C	178.532		1
1006	1	81	LEU	CA	C	58.857		1
1007	1	81	LEU	CB	C	40.195		1
1008	1	81	LEU	CG	C	26.777		1
1009	1	81	LEU	CD1	C	25.661		2
1010	1	81	LEU	CD2	C	23.582		2
1011	1	81	LEU	N	N	123.423	0.019	1
1012	1	82	ARG	H	H	8.335	0.002	1
1013	1	82	ARG	HA	H	3.850	0.003	1
1014	1	82	ARG	HB2	H	1.907		1
1015	1	82	ARG	HB3	H	1.907		1
1016	1	82	ARG	HG2	H	1.791		2
1017	1	82	ARG	HG3	H	1.743		2
1018	1	82	ARG	HD2	H	3.201	0.002	1
1019	1	82	ARG	HD3	H	3.201	0.002	1
1020	1	82	ARG	C	C	180.614		1
1021	1	82	ARG	CA	C	59.129		1
1022	1	82	ARG	CB	C	29.917		1
1023	1	82	ARG	CG	C	27.189		1
1024	1	82	ARG	CD	C	44.151		1
1025	1	82	ARG	N	N	119.067	0.01	1
1026	1	83	LYS	H	H	8.153	0.002	1
1027	1	83	LYS	HA	H	3.966		1
1028	1	83	LYS	HB2	H	1.899		1
1029	1	83	LYS	HB3	H	1.899		1
1030	1	83	LYS	HG2	H	1.622		2
1031	1	83	LYS	HG3	H	1.436	0.0	2
1032	1	83	LYS	HD2	H	1.675		2
1033	1	83	LYS	HD3	H	1.622		2
1034	1	83	LYS	HE2	H	2.955		1
1035	1	83	LYS	HE3	H	2.955		1
1036	1	83	LYS	C	C	178.074		1
1037	1	83	LYS	CA	C	59.522		1
1038	1	83	LYS	CB	C	32.344		1
1039	1	83	LYS	CG	C	26.485		1
1040	1	83	LYS	CD	C	29.295		1
1041	1	83	LYS	CE	C	42.086		1
1042	1	83	LYS	N	N	121.378	0.013	1
1043	1	84	ALA	H	H	7.723	0.001	1
1044	1	84	ALA	HA	H	4.471		1
1045	1	84	ALA	HB1	H	1.758		1
1046	1	84	ALA	HB2	H	1.758		1
1047	1	84	ALA	HB3	H	1.758		1
1048	1	84	ALA	C	C	176.286		1
1049	1	84	ALA	CA	C	52.351		1
1050	1	84	ALA	CB	C	20.283		1
1051	1	84	ALA	N	N	120.620	0.007	1
1052	1	85	GLY	H	H	7.779	0.002	1
1053	1	85	GLY	HA2	H	4.048		2
1054	1	85	GLY	HA3	H	3.449		2
1055	1	85	GLY	C	C	173.364		1
1056	1	85	GLY	CA	C	45.054		1
1057	1	85	GLY	N	N	105.152	0.008	1
1058	1	86	TYR	H	H	7.780		1
1059	1	86	TYR	HA	H	4.487		1
1060	1	86	TYR	HB2	H	3.059		2
1061	1	86	TYR	HB3	H	2.508		2
1062	1	86	TYR	HD1	H	7.103		1
1063	1	86	TYR	HD2	H	7.103		1
1064	1	86	TYR	HE1	H	6.689		1
1065	1	86	TYR	HE2	H	6.689		1
1066	1	86	TYR	C	C	172.832		1
1067	1	86	TYR	CA	C	59.375		1
1068	1	86	TYR	CB	C	38.287		1
1069	1	86	TYR	CD1	C	133.724		1
1070	1	86	TYR	CD2	C	133.724		1
1071	1	86	TYR	CE1	C	118.051		1
1072	1	86	TYR	CE2	C	118.051		1
1073	1	86	TYR	N	N	122.778		1
1074	1	87	LEU	H	H	7.360		1
1075	1	87	LEU	HA	H	4.381		1
1076	1	87	LEU	HB2	H	1.511		2
1077	1	87	LEU	HB3	H	2.238		2
1078	1	87	LEU	HG	H	1.488		1
1079	1	87	LEU	HD11	H	0.907	0.001	2
1080	1	87	LEU	HD12	H	0.907	0.001	2
1081	1	87	LEU	HD13	H	0.907	0.001	2
1082	1	87	LEU	HD21	H	0.656	0.002	2
1083	1	87	LEU	HD22	H	0.656	0.002	2
1084	1	87	LEU	HD23	H	0.656	0.002	2
1085	1	87	LEU	C	C	177.558		1
1086	1	87	LEU	CA	C	54.007		1
1087	1	87	LEU	CB	C	40.468		1
1088	1	87	LEU	CG	C	26.990		1
1089	1	87	LEU	CD1	C	24.961		2
1090	1	87	LEU	CD2	C	21.785		2
1091	1	87	LEU	N	N	115.000		1
1092	1	88	LYS	H	H	9.191		1
1093	1	88	LYS	HA	H	4.852		1
1094	1	88	LYS	HB2	H	1.566		2
1095	1	88	LYS	HB3	H	1.854		2
1096	1	88	LYS	HG2	H	1.403		2
1097	1	88	LYS	HG3	H	1.368		2
1098	1	88	LYS	HD2	H	1.644		2
1099	1	88	LYS	HD3	H	1.593		2
1100	1	88	LYS	HE2	H	2.947		1
1101	1	88	LYS	HE3	H	2.947		1
1102	1	88	LYS	C	C	174.339		1
1103	1	88	LYS	CA	C	55.280		1
1104	1	88	LYS	CB	C	32.349		1
1105	1	88	LYS	CG	C	24.246		1
1106	1	88	LYS	CD	C	29.197		1
1107	1	88	LYS	CE	C	42.294		1
1108	1	88	LYS	N	N	121.417		1
1109	1	89	VAL	H	H	8.247	0.003	1
1110	1	89	VAL	HA	H	5.054	0.0	1
1111	1	89	VAL	HB	H	1.737		1
1112	1	89	VAL	HG11	H	0.792		2
1113	1	89	VAL	HG12	H	0.792		2
1114	1	89	VAL	HG13	H	0.792		2
1115	1	89	VAL	HG21	H	0.763		2
1116	1	89	VAL	HG22	H	0.763		2
1117	1	89	VAL	HG23	H	0.763		2
1118	1	89	VAL	C	C	175.236		1
1119	1	89	VAL	CA	C	59.189		1
1120	1	89	VAL	CB	C	36.496		1
1121	1	89	VAL	CG1	C	22.480		2
1122	1	89	VAL	CG2	C	21.648		2
1123	1	89	VAL	N	N	123.298	0.021	1
1124	1	90	GLY	H	H	8.728	0.005	1
1125	1	90	GLY	HA2	H	2.800		1
1126	1	90	GLY	HA3	H	2.800		1
1127	1	90	GLY	C	C	172.115		1
1128	1	90	GLY	CA	C	43.953		1
1129	1	90	GLY	N	N	114.166	0.013	1
1130	1	91	LEU	H	H	9.435	0.004	1
1131	1	91	LEU	HB2	H	1.867		1
1132	1	91	LEU	HB3	H	1.867		1
1133	1	91	LEU	HG	H	1.699		1
1134	1	91	LEU	HD11	H	0.723		2
1135	1	91	LEU	HD12	H	0.723		2
1136	1	91	LEU	HD13	H	0.723		2
1137	1	91	LEU	HD21	H	0.732		2
1138	1	91	LEU	HD22	H	0.732		2
1139	1	91	LEU	HD23	H	0.732		2
1140	1	91	LEU	C	C	176.624		1
1141	1	91	LEU	CA	C	54.850		1
1142	1	91	LEU	CB	C	41.332		1
1143	1	91	LEU	CG	C	26.569		1
1144	1	91	LEU	CD1	C	24.679		2
1145	1	91	LEU	CD2	C	23.235		2
1146	1	91	LEU	N	N	125.832	0.014	1
1147	1	92	VAL	H	H	8.877	0.002	1
1148	1	92	VAL	HA	H	4.502		1
1149	1	92	VAL	HB	H	2.301		1
1150	1	92	VAL	HG11	H	1.158		1
1151	1	92	VAL	HG12	H	1.158		1
1152	1	92	VAL	HG13	H	1.158		1
1153	1	92	VAL	HG21	H	1.158		1
1154	1	92	VAL	HG22	H	1.158		1
1155	1	92	VAL	HG23	H	1.158		1
1156	1	92	VAL	C	C	177.750		1
1157	1	92	VAL	CA	C	62.544		1
1158	1	92	VAL	CB	C	32.754		1
1159	1	92	VAL	CG1	C	21.617		2
1160	1	92	VAL	CG2	C	21.588		2
1161	1	92	VAL	N	N	125.288		1
1162	1	93	GLY	H	H	9.036	0.003	1
1163	1	93	GLY	HA2	H	4.242	0.001	2
1164	1	93	GLY	HA3	H	4.124	0.001	2
1165	1	93	GLY	C	C	173.951		1
1166	1	93	GLY	CA	C	45.287		1
1167	1	93	GLY	N	N	115.902	0.02	1
1168	1	94	MET	H	H	8.807	0.002	1
1169	1	94	MET	HA	H	4.422		1
1170	1	94	MET	HB2	H	2.144		1
1171	1	94	MET	HB3	H	2.144		1
1172	1	94	MET	HG2	H	2.082		1
1173	1	94	MET	HG3	H	2.082		1
1174	1	94	MET	HE1	H	2.040		1
1175	1	94	MET	HE2	H	2.040		1
1176	1	94	MET	HE3	H	2.040		1
1177	1	94	MET	C	C	176.546		1
1178	1	94	MET	CA	C	56.250		1
1179	1	94	MET	CB	C	33.002		1
1180	1	94	MET	CG	C	32.966		1
1181	1	94	MET	CE	C	17.342		1
1182	1	94	MET	N	N	120.533	0.005	1
1183	1	95	GLU	H	H	8.700	0.001	1
1184	1	95	GLU	HA	H	4.274	0.001	1
1185	1	95	GLU	HB2	H	2.057		2
1186	1	95	GLU	HB3	H	1.933		2
1187	1	95	GLU	HG2	H	2.243	0.002	1
1188	1	95	GLU	HG3	H	2.243	0.002	1
1189	1	95	GLU	C	C	176.889		1
1190	1	95	GLU	CA	C	56.759		1
1191	1	95	GLU	CB	C	30.272		1
1192	1	95	GLU	CG	C	36.282		1
1193	1	95	GLU	N	N	122.359	0.003	1
1194	1	96	GLY	H	H	8.453	0.001	1
1195	1	96	GLY	HA2	H	3.965		2
1196	1	96	GLY	HA3	H	3.885		2
1197	1	96	GLY	C	C	173.707		1
1198	1	96	GLY	CA	C	45.209		1
1199	1	96	GLY	N	N	110.139	0.012	1
1200	1	97	ALA	H	H	8.183	0.002	1
1201	1	97	ALA	HA	H	4.293		1
1202	1	97	ALA	HB1	H	1.362		1
1203	1	97	ALA	HB2	H	1.362		1
1204	1	97	ALA	HB3	H	1.362		1
1205	1	97	ALA	C	C	177.354		1
1206	1	97	ALA	CA	C	52.297		1
1207	1	97	ALA	CB	C	19.519		1
1208	1	97	ALA	N	N	123.812	0.02	1
1209	1	98	ALA	H	H	8.303	0.003	1
1210	1	98	ALA	HA	H	4.286		1
1211	1	98	ALA	HB1	H	1.354	0.001	1
1212	1	98	ALA	HB2	H	1.354	0.001	1
1213	1	98	ALA	HB3	H	1.354	0.001	1
1214	1	98	ALA	C	C	176.716		1
1215	1	98	ALA	CA	C	52.431		1
1216	1	98	ALA	CB	C	19.270		1
1217	1	98	ALA	N	N	124.086	0.003	1
1218	1	99	LYS	H	H	7.890	0.001	1
1219	1	99	LYS	HA	H	4.105		1
1220	1	99	LYS	HB2	H	1.785		2
1221	1	99	LYS	HB3	H	1.670		2
1222	1	99	LYS	HG2	H	1.361		1
1223	1	99	LYS	HG3	H	1.361		1
1224	1	99	LYS	HD2	H	1.638		1
1225	1	99	LYS	HD3	H	1.638		1
1226	1	99	LYS	HE2	H	2.962		1
1227	1	99	LYS	HE3	H	2.962		1
1228	1	99	LYS	C	C	181.323		1
1229	1	99	LYS	CA	C	57.570		1
1230	1	99	LYS	CB	C	33.737		1
1231	1	99	LYS	CG	C	24.641		1
1232	1	99	LYS	CD	C	29.134		1
1233	1	99	LYS	CE	C	42.195		1
1234	1	99	LYS	N	N	125.845	0.001	1
1235	1	2	VAL	HA	H	4.333		1
1236	1	2	VAL	HB	H	2.060		1
1237	1	2	VAL	HG11	H	0.847		1
1238	1	2	VAL	HG12	H	0.847		1
1239	1	2	VAL	HG13	H	0.847		1
1240	1	2	VAL	HG21	H	0.847		1
1241	1	2	VAL	HG22	H	0.847		1
1242	1	2	VAL	HG23	H	0.847		1
1243	1	2	VAL	C	C	174.334		1
1244	1	2	VAL	CA	C	61.164		1
1245	1	2	VAL	CB	C	33.485		1
1246	1	2	VAL	CG1	C	21.237		2
1247	1	2	VAL	CG2	C	20.223		2
1248	1	3	ASP	H	H	8.361	0.001	1
1249	1	3	ASP	HA	H	5.031		1
1250	1	3	ASP	HB2	H	2.606		2
1251	1	3	ASP	HB3	H	2.408		2
1252	1	3	ASP	C	C	175.693		1
1253	1	3	ASP	CA	C	53.911		1
1254	1	3	ASP	CB	C	41.534		1
1255	1	3	ASP	N	N	124.606		1
1256	1	4	ILE	H	H	8.577	0.001	1
1257	1	4	ILE	HA	H	4.141		1
1258	1	4	ILE	HB	H	1.863		1
1259	1	4	ILE	HG12	H	1.759		2
1260	1	4	ILE	HG13	H	0.873		2
1261	1	4	ILE	HG21	H	0.766		1
1262	1	4	ILE	HG22	H	0.766		1
1263	1	4	ILE	HG23	H	0.766		1
1264	1	4	ILE	HD11	H	0.766		1
1265	1	4	ILE	HD12	H	0.766		1
1266	1	4	ILE	HD13	H	0.766		1
1267	1	4	ILE	C	C	175.617		1
1268	1	4	ILE	CA	C	61.127		1
1269	1	4	ILE	CB	C	39.927		1
1270	1	4	ILE	CG1	C	27.953		1
1271	1	4	ILE	CG2	C	18.186		1
1272	1	4	ILE	CD1	C	13.501		1
1273	1	4	ILE	N	N	122.437	0.018	1
1274	1	5	ARG	H	H	8.188	0.004	1
1275	1	5	ARG	HA	H	4.767		1
1276	1	5	ARG	HB2	H	1.917		1
1277	1	5	ARG	HB3	H	1.917		1
1278	1	5	ARG	HG2	H	1.734		2
1279	1	5	ARG	HG3	H	1.517		2
1280	1	5	ARG	HD2	H	3.114		1
1281	1	5	ARG	HD3	H	3.114		1
1282	1	5	ARG	C	C	174.965		1
1283	1	5	ARG	CA	C	55.862		1
1284	1	5	ARG	CB	C	30.249		1
1285	1	5	ARG	CG	C	27.822		1
1286	1	5	ARG	CD	C	42.573		1
1287	1	5	ARG	N	N	128.265	0.011	1
1288	1	6	VAL	H	H	9.058	0.004	1
1289	1	6	VAL	HA	H	4.466		1
1290	1	6	VAL	HB	H	1.834		1
1291	1	6	VAL	HG11	H	0.767		2
1292	1	6	VAL	HG12	H	0.767		2
1293	1	6	VAL	HG13	H	0.767		2
1294	1	6	VAL	HG21	H	0.713		2
1295	1	6	VAL	HG22	H	0.713		2
1296	1	6	VAL	HG23	H	0.713		2
1297	1	6	VAL	C	C	173.664		1
1298	1	6	VAL	CA	C	61.019		1
1299	1	6	VAL	CB	C	34.853		1
1300	1	6	VAL	CG1	C	21.683		2
1301	1	6	VAL	CG2	C	21.705		2
1302	1	6	VAL	N	N	125.118	0.005	1
1303	1	7	ASP	H	H	8.907	0.003	1
1304	1	7	ASP	HA	H	5.485		1
1305	1	7	ASP	HB2	H	2.566		2
1306	1	7	ASP	HB3	H	2.534		2
1307	1	7	ASP	C	C	175.696		1
1308	1	7	ASP	CA	C	52.501		1
1309	1	7	ASP	CB	C	41.898		1
1310	1	7	ASP	N	N	127.985	0.016	1
1311	1	8	LEU	H	H	9.663	0.002	1
1312	1	8	LEU	HA	H	4.451		1
1313	1	8	LEU	HB2	H	1.896		2
1314	1	8	LEU	HB3	H	1.060		2
1315	1	8	LEU	HG	H	1.638		1
1316	1	8	LEU	HD11	H	1.060		2
1317	1	8	LEU	HD12	H	1.060		2
1318	1	8	LEU	HD13	H	1.060		2
1319	1	8	LEU	HD21	H	0.818		2
1320	1	8	LEU	HD22	H	0.818		2
1321	1	8	LEU	HD23	H	0.818		2
1322	1	8	LEU	C	C	173.972		1
1323	1	8	LEU	CA	C	52.489		1
1324	1	8	LEU	CB	C	41.910		1
1325	1	8	LEU	CG	C	26.965		1
1326	1	8	LEU	CD1	C	26.497		2
1327	1	8	LEU	CD2	C	24.606		2
1328	1	8	LEU	N	N	125.984	0.014	1
1329	1	9	PRO	HA	H	4.451		1
1330	1	9	PRO	HB2	H	2.281		2
1331	1	9	PRO	HB3	H	1.809		2
1332	1	9	PRO	HG2	H	2.104		2
1333	1	9	PRO	HG3	H	1.954		2
1334	1	9	PRO	HD2	H	4.005		2
1335	1	9	PRO	HD3	H	3.309		2
1336	1	9	PRO	C	C	176.789		1
1337	1	9	PRO	CA	C	61.996		1
1338	1	9	PRO	CB	C	31.494		1
1339	1	9	PRO	CG	C	27.586		1
1340	1	9	PRO	CD	C	50.341		1
1341	1	10	ALA	H	H	8.664	0.002	1
1342	1	10	ALA	HA	H	4.241		1
1343	1	10	ALA	HB1	H	1.436		1
1344	1	10	ALA	HB2	H	1.436		1
1345	1	10	ALA	HB3	H	1.436		1
1346	1	10	ALA	C	C	180.038		1
1347	1	10	ALA	CA	C	52.064		1
1348	1	10	ALA	CB	C	19.037		1
1349	1	10	ALA	N	N	124.515	0.011	1
1350	1	11	SER	H	H	9.349		1
1351	1	11	SER	N	N	118.420		1
1352	1	12	SER	HA	H	4.451		1
1353	1	12	SER	HB2	H	4.064		2
1354	1	12	SER	HB3	H	3.801		2
1355	1	12	SER	C	C	174.191		1
1356	1	12	SER	CA	C	57.553		1
1357	1	12	SER	CB	C	63.527		1
1358	1	13	ALA	H	H	7.530		1
1359	1	13	ALA	HA	H	4.241		1
1360	1	13	ALA	HB1	H	1.445		1
1361	1	13	ALA	HB2	H	1.445		1
1362	1	13	ALA	HB3	H	1.445		1
1363	1	13	ALA	C	C	177.512		1
1364	1	13	ALA	CA	C	52.528		1
1365	1	13	ALA	CB	C	19.814		1
1366	1	13	ALA	N	N	125.057		1
1367	1	14	LYS	H	H	8.535		1
1368	1	14	LYS	HA	H	4.580		1
1369	1	14	LYS	HB2	H	1.836		2
1370	1	14	LYS	HB3	H	1.702		2
1371	1	14	LYS	HG2	H	1.560		2
1372	1	14	LYS	HG3	H	1.499		2
1373	1	14	LYS	HD2	H	1.696		1
1374	1	14	LYS	HE2	H	3.015		1
1375	1	14	LYS	HE3	H	3.015		1
1376	1	14	LYS	C	C	174.782		1
1377	1	14	LYS	CA	C	53.929		1
1378	1	14	LYS	CB	C	32.105		1
1379	1	14	LYS	CG	C	24.714		1
1380	1	14	LYS	CD	C	29.124		1
1381	1	14	LYS	CE	C	42.189		1
1382	1	14	LYS	N	N	122.746		1
1383	1	15	PRO	HA	H	4.451		1
1384	1	15	PRO	HB2	H	2.351		2
1385	1	15	PRO	HB3	H	1.896		2
1386	1	15	PRO	HG2	H	2.060		1
1387	1	15	PRO	HG3	H	2.060		1
1388	1	15	PRO	HD2	H	3.849		2
1389	1	15	PRO	HD3	H	3.627		2
1390	1	15	PRO	C	C	176.752		1
1391	1	15	PRO	CA	C	63.063		1
1392	1	15	PRO	CB	C	32.171		1
1393	1	15	PRO	CG	C	27.468		1
1394	1	15	PRO	CD	C	50.643		1
1395	1	16	GLN	H	H	8.748		1
1396	1	16	GLN	HA	H	4.630		1
1397	1	16	GLN	HB2	H	2.119		2
1398	1	16	GLN	HB3	H	1.972		2
1399	1	16	GLN	HG2	H	2.490		1
1400	1	16	GLN	HG3	H	2.490		1
1401	1	16	GLN	HE21	H	6.958		1
1402	1	16	GLN	HE22	H	7.636		1
1403	1	16	GLN	C	C	174.331		1
1404	1	16	GLN	CA	C	53.380		1
1405	1	16	GLN	CB	C	29.016		1
1406	1	16	GLN	CG	C	33.649		1
1407	1	16	GLN	N	N	123.646		1
1408	1	16	GLN	NE2	N	112.826		1
1409	1	17	PRO	HA	H	4.429		1
1410	1	17	PRO	HB2	H	2.302		2
1411	1	17	PRO	HB3	H	1.856		2
1412	1	17	PRO	HG2	H	2.003		1
1413	1	17	PRO	HG3	H	2.003		1
1414	1	17	PRO	HD2	H	3.816		2
1415	1	17	PRO	HD3	H	3.628		2
1416	1	17	PRO	C	C	177.057		1
1417	1	17	PRO	CA	C	63.025		1
1418	1	17	PRO	CB	C	32.123		1
1419	1	17	PRO	CG	C	27.434		1
1420	1	17	PRO	CD	C	50.636		1
1421	1	18	ARG	H	H	8.599		1
1422	1	18	ARG	HA	H	4.502		1
1423	1	18	ARG	HB2	H	1.557		2
1424	1	18	ARG	HB3	H	1.348		2
1425	1	18	ARG	HG2	H	1.390		2
1426	1	18	ARG	HG3	H	1.675		2
1427	1	18	ARG	HD2	H	2.805		2
1428	1	18	ARG	HD3	H	2.093		2
1429	1	18	ARG	C	C	174.049		1
1430	1	18	ARG	CA	C	54.654		1
1431	1	18	ARG	CB	C	29.889		1
1432	1	18	ARG	CG	C	27.876		1
1433	1	18	ARG	CD	C	43.282		1
1434	1	18	ARG	N	N	123.052		1
1435	1	19	PRO	HA	H	4.451		1
1436	1	19	PRO	HB2	H	2.422		2
1437	1	19	PRO	HB3	H	1.682		2
1438	1	19	PRO	HG2	H	2.228		2
1439	1	19	PRO	HG3	H	2.060		2
1440	1	19	PRO	HD2	H	3.326		2
1441	1	19	PRO	HD3	H	4.005		2
1442	1	19	PRO	C	C	175.117		1
1443	1	19	PRO	CA	C	62.425		1
1444	1	19	PRO	CB	C	32.450		1
1445	1	19	PRO	CG	C	27.547		1
1446	1	19	PRO	CD	C	50.656		1
1447	1	20	GLU	H	H	8.477		1
1448	1	20	GLU	HA	H	3.946		1
1449	1	20	GLU	HB2	H	1.987		1
1450	1	20	GLU	HB3	H	1.987		1
1451	1	20	GLU	HG2	H	2.344		2
1452	1	20	GLU	HG3	H	2.279		2
1453	1	20	GLU	C	C	176.828		1
1454	1	20	GLU	CA	C	58.683		1
1455	1	20	GLU	CB	C	29.957		1
1456	1	20	GLU	CG	C	36.416		1
1457	1	20	GLU	N	N	120.162		1
1458	1	21	LYS	H	H	8.391		1
1459	1	21	LYS	HA	H	4.520		1
1460	1	21	LYS	HB2	H	1.754		1
1461	1	21	LYS	HB3	H	1.754		1
1462	1	21	LYS	HG2	H	1.360		2
1463	1	21	LYS	HG3	H	1.338		2
1464	1	21	LYS	HD2	H	1.679		1
1465	1	21	LYS	C	C	173.168		1
1466	1	21	LYS	CA	C	53.789		1
1467	1	21	LYS	CB	C	32.028		1
1468	1	21	LYS	CG	C	24.726		1
1469	1	21	LYS	CD	C	29.220		1
1470	1	21	LYS	CE	C	42.179		1
1471	1	21	LYS	N	N	117.543		1
1472	1	22	PRO	HA	H	4.371		1
1473	1	22	PRO	HB2	H	1.571		2
1474	1	22	PRO	HB3	H	0.991		2
1475	1	22	PRO	HG2	H	1.765		2
1476	1	22	PRO	HG3	H	1.669		2
1477	1	22	PRO	HD2	H	3.689		2
1478	1	22	PRO	HD3	H	3.425		2
1479	1	22	PRO	C	C	176.208		1
1480	1	22	PRO	CA	C	62.152		1
1481	1	22	PRO	CB	C	32.051		1
1482	1	22	PRO	CG	C	27.207		1
1483	1	22	PRO	CD	C	50.392		1
1484	1	23	VAL	H	H	9.281	0.004	1
1485	1	23	VAL	HA	H	3.873		1
1486	1	23	VAL	HB	H	2.112		1
1487	1	23	VAL	HG11	H	0.879		2
1488	1	23	VAL	HG12	H	0.879		2
1489	1	23	VAL	HG13	H	0.879		2
1490	1	23	VAL	HG21	H	0.675		2
1491	1	23	VAL	HG22	H	0.675		2
1492	1	23	VAL	HG23	H	0.675		2
1493	1	23	VAL	C	C	173.496		1
1494	1	23	VAL	CA	C	62.691		1
1495	1	23	VAL	CB	C	31.659		1
1496	1	23	VAL	CG1	C	21.637		2
1497	1	23	VAL	CG2	C	21.651		2
1498	1	23	VAL	N	N	124.374	0.011	1
1499	1	24	PHE	H	H	8.369	0.001	1
1500	1	24	PHE	HA	H	5.450		1
1501	1	24	PHE	HB2	H	2.852		2
1502	1	24	PHE	HB3	H	2.779		2
1503	1	24	PHE	HD1	H	7.090		1
1504	1	24	PHE	HD2	H	7.090		1
1505	1	24	PHE	HE1	H	6.960		1
1506	1	24	PHE	HE2	H	6.960		1
1507	1	24	PHE	HZ	H	6.979		1
1508	1	24	PHE	C	C	174.968		1
1509	1	24	PHE	CA	C	56.843		1
1510	1	24	PHE	CB	C	41.696		1
1511	1	24	PHE	CD1	C	131.914		1
1512	1	24	PHE	CD2	C	131.914		1
1513	1	24	PHE	CE1	C	130.684		1
1514	1	24	PHE	CE2	C	130.684		1
1515	1	24	PHE	CZ	C	128.950		1
1516	1	24	PHE	N	N	125.755		1
1517	1	25	LEU	H	H	9.458		1
1518	1	25	LEU	HA	H	5.377		1
1519	1	25	LEU	HB2	H	1.784		2
1520	1	25	LEU	HB3	H	1.202		2
1521	1	25	LEU	HG	H	1.579		1
1522	1	25	LEU	HD11	H	0.766		2
1523	1	25	LEU	HD12	H	0.766		2
1524	1	25	LEU	HD13	H	0.766		2
1525	1	25	LEU	HD21	H	0.818		2
1526	1	25	LEU	HD22	H	0.818		2
1527	1	25	LEU	HD23	H	0.818		2
1528	1	25	LEU	C	C	174.855		1
1529	1	25	LEU	CA	C	53.271		1
1530	1	25	LEU	CB	C	45.786		1
1531	1	25	LEU	CG	C	27.894		1
1532	1	25	LEU	CD1	C	26.712		2
1533	1	25	LEU	CD2	C	25.881		2
1534	1	25	LEU	N	N	128.254		1
1535	1	26	SER	H	H	9.229		1
1536	1	26	SER	HA	H	5.557		1
1537	1	26	SER	HB2	H	3.609		2
1538	1	26	SER	HB3	H	3.552		2
1539	1	26	SER	C	C	173.004		1
1540	1	26	SER	CA	C	56.365		1
1541	1	26	SER	CB	C	65.714		1
1542	1	26	SER	N	N	118.676		1
1543	1	27	VAL	H	H	8.031		1
1544	1	27	VAL	HA	H	4.952		1
1545	1	27	VAL	HB	H	1.841		1
1546	1	27	VAL	HG11	H	0.956		2
1547	1	27	VAL	HG12	H	0.956		2
1548	1	27	VAL	HG13	H	0.956		2
1549	1	27	VAL	HG21	H	0.818		2
1550	1	27	VAL	HG22	H	0.818		2
1551	1	27	VAL	HG23	H	0.818		2
1552	1	27	VAL	C	C	175.830		1
1553	1	27	VAL	CA	C	60.556		1
1554	1	27	VAL	CB	C	33.644		1
1555	1	27	VAL	CG1	C	21.664		2
1556	1	27	VAL	CG2	C	21.775		2
1557	1	27	VAL	N	N	121.110		1
1558	1	28	LYS	H	H	8.141		1
1559	1	28	LYS	HA	H	4.529		1
1560	1	28	LYS	HB2	H	2.189		2
1561	1	28	LYS	HB3	H	2.060		2
1562	1	28	LYS	HG2	H	1.389		2
1563	1	28	LYS	HG3	H	1.297		2
1564	1	28	LYS	HD2	H	1.426		2
1565	1	28	LYS	HD3	H	1.291		2
1566	1	28	LYS	HE2	H	2.348		1
1567	1	28	LYS	HE3	H	2.348		1
1568	1	28	LYS	C	C	177.483		1
1569	1	28	LYS	CA	C	54.605		1
1570	1	28	LYS	CB	C	33.266		1
1571	1	28	LYS	CG	C	25.634		1
1572	1	28	LYS	CD	C	27.849		1
1573	1	28	LYS	CE	C	41.663		1
1574	1	28	LYS	N	N	125.123		1
1575	1	29	ALA	H	H	8.818		1
1576	1	29	ALA	HA	H	3.908		1
1577	1	29	ALA	HB1	H	1.441		1
1578	1	29	ALA	HB2	H	1.441		1
1579	1	29	ALA	HB3	H	1.441		1
1580	1	29	ALA	C	C	177.674		1
1581	1	29	ALA	CA	C	54.874		1
1582	1	29	ALA	CB	C	18.497		1
1583	1	29	ALA	N	N	121.611		1
1584	1	30	ASP	H	H	7.934		1
1585	1	30	ASP	HA	H	4.451		1
1586	1	30	ASP	HB2	H	3.028		2
1587	1	30	ASP	HB3	H	2.601		2
1588	1	30	ASP	C	C	176.228		1
1589	1	30	ASP	CA	C	53.511		1
1590	1	30	ASP	CB	C	39.293		1
1591	1	30	ASP	N	N	115.356		1
1592	1	31	LYS	H	H	8.535		1
1593	1	31	LYS	HA	H	3.593		1
1594	1	31	LYS	HB2	H	2.253		2
1595	1	31	LYS	HB3	H	2.024		2
1596	1	31	LYS	HG2	H	1.409		2
1597	1	31	LYS	HG3	H	1.349		2
1598	1	31	LYS	HD2	H	1.768		2
1599	1	31	LYS	HD3	H	1.679		2
1600	1	31	LYS	HE2	H	3.055		1
1601	1	31	LYS	HE3	H	3.055		1
1602	1	31	LYS	C	C	174.712		1
1603	1	31	LYS	CA	C	58.410		1
1604	1	31	LYS	CB	C	29.309		1
1605	1	31	LYS	CG	C	26.091		1
1606	1	31	LYS	CD	C	29.400		1
1607	1	31	LYS	CE	C	42.310		1
1608	1	31	LYS	N	N	112.877		1
1609	1	32	GLN	H	H	7.801		1
1610	1	32	GLN	HA	H	4.152		1
1611	1	32	GLN	HB2	H	2.099		2
1612	1	32	GLN	HB3	H	2.060		2
1613	1	32	GLN	HG2	H	2.113		1
1614	1	32	GLN	HE21	H	6.888		1
1615	1	32	GLN	HE22	H	7.975		1
1616	1	32	GLN	C	C	174.526		1
1617	1	32	GLN	CA	C	56.141		1
1618	1	32	GLN	CB	C	30.181		1
1619	1	32	GLN	CG	C	34.449		1
1620	1	32	GLN	N	N	119.276		1
1621	1	32	GLN	NE2	N	116.887		1
1622	1	33	LEU	H	H	8.247		1
1623	1	33	LEU	HA	H	5.204		1
1624	1	33	LEU	HB2	H	1.984		2
1625	1	33	LEU	HB3	H	1.235		2
1626	1	33	LEU	HG	H	1.807		1
1627	1	33	LEU	HD11	H	0.818		2
1628	1	33	LEU	HD12	H	0.818		2
1629	1	33	LEU	HD13	H	0.818		2
1630	1	33	LEU	HD21	H	0.876		2
1631	1	33	LEU	HD22	H	0.876		2
1632	1	33	LEU	HD23	H	0.876		2
1633	1	33	LEU	C	C	177.090		1
1634	1	33	LEU	CA	C	54.150		1
1635	1	33	LEU	CB	C	44.086		1
1636	1	33	LEU	CG	C	27.179		1
1637	1	33	LEU	CD1	C	25.192		2
1638	1	33	LEU	CD2	C	25.326		2
1639	1	33	LEU	N	N	124.250		1
1640	1	34	TYR	H	H	9.139		1
1641	1	34	TYR	HA	H	5.155		1
1642	1	34	TYR	HB2	H	2.742		2
1643	1	34	TYR	HB3	H	2.669		2
1644	1	34	TYR	HD1	H	6.706		1
1645	1	34	TYR	HD2	H	6.706		1
1646	1	34	TYR	HE1	H	6.689		1
1647	1	34	TYR	HE2	H	6.689		1
1648	1	34	TYR	C	C	175.991		1
1649	1	34	TYR	CA	C	56.869		1
1650	1	34	TYR	CB	C	42.409		1
1651	1	34	TYR	CD1	C	132.703		1
1652	1	34	TYR	CD2	C	132.703		1
1653	1	34	TYR	CE1	C	118.160		1
1654	1	34	TYR	CE2	C	118.160		1
1655	1	34	TYR	N	N	120.549		1
1656	1	35	VAL	H	H	8.677		1
1657	1	35	VAL	HB	H	1.847		1
1658	1	35	VAL	HG11	H	0.766		1
1659	1	35	VAL	HG12	H	0.766		1
1660	1	35	VAL	HG13	H	0.766		1
1661	1	35	VAL	HG21	H	0.766		1
1662	1	35	VAL	HG22	H	0.766		1
1663	1	35	VAL	HG23	H	0.766		1
1664	1	35	VAL	C	C	177.773		1
1665	1	35	VAL	CA	C	61.394		1
1666	1	35	VAL	CB	C	32.060		1
1667	1	35	VAL	CG1	C	21.489		1
1668	1	35	VAL	CG2	C	21.489		1
1669	1	35	VAL	N	N	120.815		1
1670	1	36	GLY	H	H	9.129		1
1671	1	36	GLY	HA2	H	4.152		2
1672	1	36	GLY	HA3	H	3.778		2
1673	1	36	GLY	C	C	174.798		1
1674	1	36	GLY	CA	C	47.583		1
1675	1	36	GLY	N	N	118.822		1
1676	1	37	ASP	H	H	8.863		1
1677	1	37	ASP	HA	H	4.652		1
1678	1	37	ASP	HB2	H	2.773		1
1679	1	37	ASP	HB3	H	2.773		1
1680	1	37	ASP	C	C	175.453		1
1681	1	37	ASP	CA	C	54.043		1
1682	1	37	ASP	CB	C	40.946		1
1683	1	37	ASP	N	N	125.980		1
1684	1	38	GLN	H	H	8.237		1
1685	1	38	GLN	HA	H	4.891		1
1686	1	38	GLN	HB2	H	2.259		2
1687	1	38	GLN	HB3	H	2.060		2
1688	1	38	GLN	HG2	H	2.380		2
1689	1	38	GLN	HG3	H	2.332		2
1690	1	38	GLN	HE21	H	7.621		1
1691	1	38	GLN	HE22	H	6.958		1
1692	1	38	GLN	C	C	172.750		1
1693	1	38	GLN	CA	C	52.753		1
1694	1	38	GLN	CB	C	30.598		1
1695	1	38	GLN	CG	C	32.827		1
1696	1	38	GLN	N	N	122.566		1
1697	1	38	GLN	NE2	N	112.273		1
1698	1	39	PRO	HA	H	4.152		1
1699	1	39	PRO	HB2	H	1.659		2
1700	1	39	PRO	HB3	H	1.575		2
1701	1	39	PRO	HG2	H	2.060		2
1702	1	39	PRO	HG3	H	1.967		2
1703	1	39	PRO	HD2	H	4.005		2
1704	1	39	PRO	HD3	H	3.863		2
1705	1	39	PRO	C	C	177.079		1
1706	1	39	PRO	CA	C	62.190		1
1707	1	39	PRO	CB	C	31.362		1
1708	1	39	PRO	CG	C	26.992		1
1709	1	39	PRO	CD	C	50.766		1
1710	1	40	VAL	H	H	8.236		1
1711	1	40	VAL	HA	H	4.488		1
1712	1	40	VAL	HB	H	1.896		1
1713	1	40	VAL	HG11	H	0.766		2
1714	1	40	VAL	HG12	H	0.766		2
1715	1	40	VAL	HG13	H	0.766		2
1716	1	40	VAL	HG21	H	0.711		2
1717	1	40	VAL	HG22	H	0.711		2
1718	1	40	VAL	HG23	H	0.711		2
1719	1	40	VAL	C	C	173.945		1
1720	1	40	VAL	CA	C	59.460		1
1721	1	40	VAL	CB	C	35.794		1
1722	1	40	VAL	CG1	C	21.834		2
1723	1	40	VAL	CG2	C	20.843		2
1724	1	40	VAL	N	N	118.688		1
1725	1	41	ASN	H	H	8.304		1
1726	1	41	ASN	HA	H	4.844		1
1727	1	41	ASN	HB2	H	2.886		2
1728	1	41	ASN	HB3	H	2.822		2
1729	1	41	ASN	HD21	H	6.958		1
1730	1	41	ASN	HD22	H	7.750		1
1731	1	41	ASN	C	C	177.000		1
1732	1	41	ASN	CA	C	51.880		1
1733	1	41	ASN	CB	C	39.405		1
1734	1	41	ASN	N	N	121.026		1
1735	1	41	ASN	ND2	N	113.279		1
1736	1	42	ALA	H	H	9.030		1
1737	1	42	ALA	HA	H	3.827		1
1738	1	42	ALA	HB1	H	1.487		1
1739	1	42	ALA	HB2	H	1.487		1
1740	1	42	ALA	HB3	H	1.487		1
1741	1	42	ALA	C	C	179.138		1
1742	1	42	ALA	CA	C	56.179		1
1743	1	42	ALA	CB	C	18.114		1
1744	1	42	ALA	N	N	123.974		1
1745	1	43	ASP	H	H	8.391		1
1746	1	43	ASP	HA	H	4.451		1
1747	1	43	ASP	HB2	H	2.777		2
1748	1	43	ASP	HB3	H	2.669		2
1749	1	43	ASP	C	C	177.197		1
1750	1	43	ASP	CA	C	55.797		1
1751	1	43	ASP	CB	C	39.981		1
1752	1	43	ASP	N	N	114.506		1
1753	1	44	GLN	H	H	7.805		1
1754	1	44	GLN	HA	H	4.555		1
1755	1	44	GLN	HB2	H	2.291		2
1756	1	44	GLN	HB3	H	2.060		2
1757	1	44	GLN	HG2	H	2.426		1
1758	1	44	GLN	HG3	H	2.426		1
1759	1	44	GLN	HE21	H	7.544		1
1760	1	44	GLN	HE22	H	6.888		1
1761	1	44	GLN	C	C	176.086		1
1762	1	44	GLN	CA	C	55.275		1
1763	1	44	GLN	CB	C	30.455		1
1764	1	44	GLN	CG	C	34.032		1
1765	1	44	GLN	N	N	117.725		1
1766	1	44	GLN	NE2	N	112.594		1
1767	1	45	LEU	H	H	7.325		1
1768	1	45	LEU	HA	H	3.762		1
1769	1	45	LEU	HB2	H	1.821		2
1770	1	45	LEU	HB3	H	1.491		2
1771	1	45	LEU	HG	H	1.439		1
1772	1	45	LEU	HD11	H	0.766		1
1773	1	45	LEU	HD12	H	0.766		1
1774	1	45	LEU	HD13	H	0.766		1
1775	1	45	LEU	HD21	H	0.766		1
1776	1	45	LEU	HD22	H	0.766		1
1777	1	45	LEU	HD23	H	0.766		1
1778	1	45	LEU	C	C	177.366		1
1779	1	45	LEU	CA	C	59.366		1
1780	1	45	LEU	CB	C	42.104		1
1781	1	45	LEU	CG	C	27.113		1
1782	1	45	LEU	CD1	C	24.465		2
1783	1	45	LEU	CD2	C	25.468		2
1784	1	45	LEU	N	N	120.579		1
1785	1	46	THR	H	H	8.609		1
1786	1	46	THR	HA	H	3.707		1
1787	1	46	THR	HB	H	4.241		1
1788	1	46	THR	HG21	H	1.299		1
1789	1	46	THR	HG22	H	1.299		1
1790	1	46	THR	HG23	H	1.299		1
1791	1	46	THR	C	C	175.469		1
1792	1	46	THR	CA	C	67.482		1
1793	1	46	THR	CB	C	67.746		1
1794	1	46	THR	CG2	C	22.464		1
1795	1	46	THR	N	N	112.006		1
1796	1	47	SER	H	H	7.938		1
1797	1	47	SER	HA	H	4.241		1
1798	1	47	SER	HB2	H	4.005		1
1799	1	47	SER	HB3	H	4.005		1
1800	1	47	SER	C	C	177.595		1
1801	1	47	SER	CA	C	61.462		1
1802	1	47	SER	CB	C	62.818		1
1803	1	47	SER	N	N	116.080		1
1804	1	48	VAL	H	H	8.071		1
1805	1	48	VAL	HA	H	3.793		1
1806	1	48	VAL	HB	H	1.967		1
1807	1	48	VAL	HG11	H	1.053		2
1808	1	48	VAL	HG12	H	1.053		2
1809	1	48	VAL	HG13	H	1.053		2
1810	1	48	VAL	HG21	H	0.876		2
1811	1	48	VAL	HG22	H	0.876		2
1812	1	48	VAL	HG23	H	0.876		2
1813	1	48	VAL	C	C	178.917		1
1814	1	48	VAL	CA	C	66.698		1
1815	1	48	VAL	CB	C	31.867		1
1816	1	48	VAL	CG1	C	23.078		2
1817	1	48	VAL	CG2	C	21.184		2
1818	1	48	VAL	N	N	122.927		1
1819	1	49	LEU	H	H	8.677		1
1820	1	49	LEU	HA	H	3.824		1
1821	1	49	LEU	HB2	H	1.736		2
1822	1	49	LEU	HB3	H	0.766		2
1823	1	49	LEU	HG	H	0.258		1
1824	1	49	LEU	HD11	H	0.433		1
1825	1	49	LEU	HD12	H	0.433		1
1826	1	49	LEU	HD13	H	0.433		1
1827	1	49	LEU	HD21	H	0.433		1
1828	1	49	LEU	HD22	H	0.433		1
1829	1	49	LEU	HD23	H	0.433		1
1830	1	49	LEU	C	C	179.053		1
1831	1	49	LEU	CA	C	58.768		1
1832	1	49	LEU	CB	C	41.510		1
1833	1	49	LEU	CG	C	25.922		1
1834	1	49	LEU	CD1	C	23.119		1
1835	1	49	LEU	CD2	C	23.119		1
1836	1	49	LEU	N	N	120.132		1
1837	1	50	ASP	H	H	8.758		1
1838	1	50	ASP	HA	H	4.241		1
1839	1	50	ASP	HB2	H	3.019		2
1840	1	50	ASP	HB3	H	2.604		2
1841	1	50	ASP	C	C	179.673		1
1842	1	50	ASP	CA	C	57.613		1
1843	1	50	ASP	CB	C	39.580		1
1844	1	50	ASP	N	N	117.637		1
1845	1	51	GLN	H	H	7.965		1
1846	1	51	GLN	HA	H	4.152		1
1847	1	51	GLN	HB2	H	2.334		1
1848	1	51	GLN	HB3	H	2.334		1
1849	1	51	GLN	HG2	H	2.636		2
1850	1	51	GLN	HG3	H	2.448		2
1851	1	51	GLN	HE21	H	7.446		1
1852	1	51	GLN	HE22	H	6.841		1
1853	1	51	GLN	C	C	178.964		1
1854	1	51	GLN	CA	C	59.249		1
1855	1	51	GLN	CB	C	28.390		1
1856	1	51	GLN	CG	C	34.032		1
1857	1	51	GLN	N	N	119.797		1
1858	1	51	GLN	NE2	N	111.736		1
1859	1	52	ARG	H	H	8.140		1
1860	1	52	ARG	HA	H	4.241		1
1861	1	52	ARG	HB2	H	2.060		2
1862	1	52	ARG	HB3	H	2.009		2
1863	1	52	ARG	HG2	H	1.937		2
1864	1	52	ARG	HG3	H	1.611		2
1865	1	52	ARG	HD2	H	3.280		2
1866	1	52	ARG	HD3	H	3.244		2
1867	1	52	ARG	C	C	178.572		1
1868	1	52	ARG	CA	C	57.002		1
1869	1	52	ARG	CB	C	30.184		1
1870	1	52	ARG	CG	C	26.914		1
1871	1	52	ARG	CD	C	41.899		1
1872	1	52	ARG	N	N	117.746		1
1873	1	53	THR	H	H	8.677		1
1874	1	53	THR	HA	H	4.451		1
1875	1	53	THR	HG21	H	1.350		1
1876	1	53	THR	HG22	H	1.350		1
1877	1	53	THR	HG23	H	1.350		1
1878	1	53	THR	C	C	176.433		1
1879	1	53	THR	CA	C	61.487		1
1880	1	53	THR	CB	C	71.206		1
1881	1	53	THR	CG2	C	21.131		1
1882	1	53	THR	N	N	107.695		1
1883	1	54	GLN	H	H	7.772		1
1884	1	54	GLN	HA	H	4.005		1
1885	1	54	GLN	HB2	H	2.387		2
1886	1	54	GLN	HB3	H	2.250		2
1887	1	54	GLN	HG2	H	2.348		1
1888	1	54	GLN	HG3	H	2.348		1
1889	1	54	GLN	HE21	H	6.841		1
1890	1	54	GLN	HE22	H	7.574		1
1891	1	54	GLN	C	C	175.246		1
1892	1	54	GLN	CA	C	57.791		1
1893	1	54	GLN	CB	C	26.089		1
1894	1	54	GLN	CG	C	34.590		1
1895	1	54	GLN	N	N	118.867		1
1896	1	54	GLN	NE2	N	112.662		1
1897	1	55	ALA	H	H	9.104		1
1898	1	55	ALA	HA	H	3.660		1
1899	1	55	ALA	HB1	H	1.355		1
1900	1	55	ALA	HB2	H	1.355		1
1901	1	55	ALA	HB3	H	1.355		1
1902	1	55	ALA	C	C	174.789		1
1903	1	55	ALA	CA	C	52.566		1
1904	1	55	ALA	CB	C	16.973		1
1905	1	55	ALA	N	N	119.732		1
1906	1	56	ASN	H	H	7.629		1
1907	1	56	ASN	HA	H	4.899		1
1908	1	56	ASN	HB2	H	3.156		2
1909	1	56	ASN	HB3	H	2.836		2
1910	1	56	ASN	HD21	H	7.459		1
1911	1	56	ASN	HD22	H	6.998		1
1912	1	56	ASN	C	C	176.595		1
1913	1	56	ASN	CA	C	51.758		1
1914	1	56	ASN	CB	C	37.695		1
1915	1	56	ASN	N	N	116.577		1
1916	1	56	ASN	ND2	N	110.314		1
1917	1	57	LYS	H	H	8.677		1
1918	1	57	LYS	HA	H	3.839		1
1919	1	57	LYS	HB2	H	1.959		2
1920	1	57	LYS	HB3	H	1.565		2
1921	1	57	LYS	HG2	H	1.086		1
1922	1	57	LYS	HG3	H	1.086		1
1923	1	57	LYS	HD2	H	0.818		2
1924	1	57	LYS	HD3	H	0.681		2
1925	1	57	LYS	HE2	H	2.796		1
1926	1	57	LYS	HE3	H	2.796		1
1927	1	57	LYS	C	C	177.382		1
1928	1	57	LYS	CA	C	56.345		1
1929	1	57	LYS	CB	C	30.060		1
1930	1	57	LYS	CG	C	24.835		1
1931	1	57	LYS	CD	C	27.101		1
1932	1	57	LYS	CE	C	42.864		1
1933	1	57	LYS	N	N	124.026		1
1934	1	58	GLU	H	H	8.057		1
1935	1	58	GLU	HA	H	4.241		1
1936	1	58	GLU	HB2	H	2.247		2
1937	1	58	GLU	HB3	H	2.060		2
1938	1	58	GLU	HG2	H	2.320		2
1939	1	58	GLU	HG3	H	2.205		2
1940	1	58	GLU	C	C	175.587		1
1941	1	58	GLU	CA	C	56.225		1
1942	1	58	GLU	CB	C	28.889		1
1943	1	58	GLU	CG	C	36.623		1
1944	1	58	GLU	N	N	117.598		1
1945	1	59	THR	H	H	7.315		1
1946	1	59	THR	HA	H	3.917		1
1947	1	59	THR	HB	H	4.093		1
1948	1	59	THR	HG21	H	1.309		1
1949	1	59	THR	HG22	H	1.309		1
1950	1	59	THR	HG23	H	1.309		1
1951	1	59	THR	C	C	172.565		1
1952	1	59	THR	CA	C	64.001		1
1953	1	59	THR	CB	C	70.784		1
1954	1	59	THR	CG2	C	21.223		1
1955	1	59	THR	N	N	117.620		1
1956	1	60	THR	H	H	8.391		1
1957	1	60	THR	HA	H	4.005		1
1958	1	60	THR	HB	H	3.657		1
1959	1	60	THR	HG21	H	0.025		1
1960	1	60	THR	HG22	H	0.025		1
1961	1	60	THR	HG23	H	0.025		1
1962	1	60	THR	C	C	171.967		1
1963	1	60	THR	CA	C	63.834		1
1964	1	60	THR	CB	C	68.964		1
1965	1	60	THR	CG2	C	21.041		1
1966	1	60	THR	N	N	123.479		1
1967	1	61	ILE	H	H	8.434		1
1968	1	61	ILE	HA	H	4.241		1
1969	1	61	ILE	HB	H	2.060		1
1970	1	61	ILE	HG12	H	1.827		2
1971	1	61	ILE	HG13	H	0.951		2
1972	1	61	ILE	HG21	H	0.693		1
1973	1	61	ILE	HG22	H	0.693		1
1974	1	61	ILE	HG23	H	0.693		1
1975	1	61	ILE	HD11	H	0.346		1
1976	1	61	ILE	HD12	H	0.346		1
1977	1	61	ILE	HD13	H	0.346		1
1978	1	61	ILE	C	C	175.304		1
1979	1	61	ILE	CA	C	57.564		1
1980	1	61	ILE	CB	C	36.373		1
1981	1	61	ILE	CG1	C	26.696		1
1982	1	61	ILE	CG2	C	17.798		1
1983	1	61	ILE	CD1	C	8.896		1
1984	1	61	ILE	N	N	127.451		1
1985	1	62	PHE	H	H	8.695		1
1986	1	62	PHE	HA	H	4.845		1
1987	1	62	PHE	HB2	H	2.410		1
1988	1	62	PHE	HB3	H	2.410		1
1989	1	62	PHE	HD1	H	6.919		1
1990	1	62	PHE	HD2	H	6.919		1
1991	1	62	PHE	HE1	H	7.219		1
1992	1	62	PHE	HE2	H	7.219		1
1993	1	62	PHE	HZ	H	7.217		1
1994	1	62	PHE	C	C	173.878		1
1995	1	62	PHE	CA	C	58.786		1
1996	1	62	PHE	CB	C	39.632		1
1997	1	62	PHE	CD1	C	131.848		1
1998	1	62	PHE	CD2	C	131.848		1
1999	1	62	PHE	CE1	C	130.851		1
2000	1	62	PHE	CE2	C	130.851		1
2001	1	62	PHE	CZ	C	128.780		1
2002	1	62	PHE	N	N	127.132		1
2003	1	63	PHE	H	H	9.472		1
2004	1	63	PHE	HA	H	5.519		1
2005	1	63	PHE	HB2	H	3.148		2
2006	1	63	PHE	HB3	H	2.560		2
2007	1	63	PHE	HD1	H	7.011		1
2008	1	63	PHE	HD2	H	7.011		1
2009	1	63	PHE	HE1	H	6.888		1
2010	1	63	PHE	HE2	H	6.888		1
2011	1	63	PHE	HZ	H	6.745		1
2012	1	63	PHE	C	C	173.153		1
2013	1	63	PHE	CA	C	56.455		1
2014	1	63	PHE	CB	C	42.464		1
2015	1	63	PHE	CD1	C	131.212		1
2016	1	63	PHE	CD2	C	131.212		1
2017	1	63	PHE	CE1	C	130.826		1
2018	1	63	PHE	CE2	C	130.826		1
2019	1	63	PHE	CZ	C	128.280		1
2020	1	63	PHE	N	N	126.774		1
2021	1	64	GLN	H	H	8.557		1
2022	1	64	GLN	HA	H	4.654		1
2023	1	64	GLN	HB2	H	1.930		2
2024	1	64	GLN	HB3	H	1.798		2
2025	1	64	GLN	HG2	H	2.208		2
2026	1	64	GLN	HG3	H	2.130		2
2027	1	64	GLN	HE21	H	7.012		1
2028	1	64	GLN	HE22	H	6.395		1
2029	1	64	GLN	C	C	172.632		1
2030	1	64	GLN	CA	C	53.874		1
2031	1	64	GLN	CB	C	32.057		1
2032	1	64	GLN	CG	C	34.044		1
2033	1	64	GLN	N	N	126.779		1
2034	1	64	GLN	NE2	N	109.537		1
2035	1	65	ALA	H	H	7.324	0.002	1
2036	1	65	ALA	HA	H	4.815		1
2037	1	65	ALA	HB1	H	0.425	0.003	1
2038	1	65	ALA	HB2	H	0.425	0.003	1
2039	1	65	ALA	HB3	H	0.425	0.003	1
2040	1	65	ALA	C	C	175.824		1
2041	1	65	ALA	CA	C	49.691		1
2042	1	65	ALA	CB	C	20.319		1
2043	1	65	ALA	N	N	122.986	0.003	1
2044	1	66	ASP	H	H	7.289		1
2045	1	66	ASP	HA	H	4.596		1
2046	1	66	ASP	HB2	H	2.688		2
2047	1	66	ASP	HB3	H	2.590		2
2048	1	66	ASP	C	C	176.365		1
2049	1	66	ASP	CA	C	54.601		1
2050	1	66	ASP	CB	C	42.773		1
2051	1	66	ASP	N	N	119.324		1
2052	1	67	LYS	H	H	8.535		1
2053	1	67	LYS	HA	H	4.152		1
2054	1	67	LYS	HB2	H	1.989		1
2055	1	67	LYS	HB3	H	1.989		1
2056	1	67	LYS	HG2	H	1.575		1
2057	1	67	LYS	HG3	H	1.575		1
2058	1	67	LYS	HD2	H	1.712		1
2059	1	67	LYS	HD3	H	1.712		1
2060	1	67	LYS	HE2	H	3.035		1
2061	1	67	LYS	HE3	H	3.035		1
2062	1	67	LYS	C	C	175.632		1
2063	1	67	LYS	CA	C	59.918		1
2064	1	67	LYS	CB	C	33.047		1
2065	1	67	LYS	CG	C	24.603		1
2066	1	67	LYS	CD	C	29.527		1
2067	1	67	LYS	CE	C	42.170		1
2068	1	67	LYS	N	N	119.714		1
2069	1	68	SER	H	H	8.031		1
2070	1	68	SER	HA	H	4.553		1
2071	1	68	SER	HB2	H	4.152		2
2072	1	68	SER	HB3	H	3.942		2
2073	1	68	SER	C	C	175.514		1
2074	1	68	SER	CA	C	58.984		1
2075	1	68	SER	CB	C	64.568		1
2076	1	68	SER	N	N	109.540		1
2077	1	69	VAL	H	H	7.888		1
2078	1	69	VAL	HA	H	3.864		1
2079	1	69	VAL	HB	H	2.060		1
2080	1	69	VAL	HG11	H	0.960		1
2081	1	69	VAL	HG12	H	0.960		1
2082	1	69	VAL	HG13	H	0.960		1
2083	1	69	VAL	HG21	H	1.030		1
2084	1	69	VAL	HG22	H	1.030		1
2085	1	69	VAL	HG23	H	1.030		1
2086	1	69	VAL	C	C	175.354		1
2087	1	69	VAL	CA	C	64.673		1
2088	1	69	VAL	CB	C	31.683		1
2089	1	69	VAL	CG1	C	24.522		1
2090	1	69	VAL	CG2	C	20.673		1
2091	1	69	VAL	N	N	125.909		1
2092	1	70	ASP	H	H	8.323	0.001	1
2093	1	70	ASP	HA	H	5.162	0.002	1
2094	1	70	ASP	HB2	H	3.653		2
2095	1	70	ASP	HB3	H	2.688		2
2096	1	70	ASP	C	C	176.431		1
2097	1	70	ASP	CA	C	53.106		1
2098	1	70	ASP	CB	C	42.842		1
2099	1	70	ASP	N	N	125.863		1
2100	1	71	TYR	H	H	8.491	0.001	1
2101	1	71	TYR	HA	H	4.234		1
2102	1	71	TYR	HB2	H	3.169		2
2103	1	71	TYR	HB3	H	3.073		2
2104	1	71	TYR	HD1	H	6.960	0.019	1
2105	1	71	TYR	HD2	H	6.960	0.019	1
2106	1	71	TYR	HE1	H	6.856	0.018	1
2107	1	71	TYR	HE2	H	6.856	0.018	1
2108	1	71	TYR	C	C	177.587		1
2109	1	71	TYR	CA	C	62.038		1
2110	1	71	TYR	CB	C	39.675		1
2111	1	71	TYR	CD1	C	133.046		1
2112	1	71	TYR	CD2	C	133.046		1
2113	1	71	TYR	CE1	C	117.774		1
2114	1	71	TYR	CE2	C	117.774		1
2115	1	71	TYR	N	N	123.014	0.006	1
2116	1	72	GLU	H	H	8.525	0.003	1
2117	1	72	GLU	HA	H	3.991	0.002	1
2118	1	72	GLU	HB2	H	2.177	0.004	2
2119	1	72	GLU	HB3	H	2.123		2
2120	1	72	GLU	HG2	H	2.256		1
2121	1	72	GLU	HG3	H	2.256		1
2122	1	72	GLU	C	C	179.386		1
2123	1	72	GLU	CA	C	59.809		1
2124	1	72	GLU	CB	C	29.750		1
2125	1	72	GLU	CG	C	36.160		1
2126	1	72	GLU	N	N	118.049	0.017	1
2127	1	73	THR	H	H	8.666	0.002	1
2128	1	73	THR	HA	H	3.912		1
2129	1	73	THR	HB	H	4.451		1
2130	1	73	THR	HG21	H	1.189		1
2131	1	73	THR	HG22	H	1.189		1
2132	1	73	THR	HG23	H	1.189		1
2133	1	73	THR	C	C	176.366		1
2134	1	73	THR	CA	C	67.344		1
2135	1	73	THR	CB	C	67.389		1
2136	1	73	THR	CG2	C	21.182		1
2137	1	73	THR	N	N	120.083	0.007	1
2138	1	74	LEU	H	H	8.485	0.005	1
2139	1	74	LEU	HA	H	3.746		1
2140	1	74	LEU	HB2	H	1.514		2
2141	1	74	LEU	HB3	H	1.927		2
2142	1	74	LEU	HG	H	1.337		1
2143	1	74	LEU	HD11	H	0.766		2
2144	1	74	LEU	HD12	H	0.766		2
2145	1	74	LEU	HD13	H	0.766		2
2146	1	74	LEU	HD21	H	0.648		2
2147	1	74	LEU	HD22	H	0.648		2
2148	1	74	LEU	HD23	H	0.648		2
2149	1	74	LEU	C	C	178.397		1
2150	1	74	LEU	CA	C	59.358		1
2151	1	74	LEU	CB	C	42.099		1
2152	1	74	LEU	CG	C	26.898		1
2153	1	74	LEU	CD1	C	25.664		2
2154	1	74	LEU	CD2	C	25.515		2
2155	1	74	LEU	N	N	123.256	0.02	1
2156	1	75	MET	H	H	8.459	0.003	1
2157	1	75	MET	HA	H	4.152		1
2158	1	75	MET	HB2	H	2.060		2
2159	1	75	MET	HB3	H	1.766		2
2160	1	75	MET	HG2	H	2.212		2
2161	1	75	MET	HG3	H	1.803		2
2162	1	75	MET	HE1	H	1.719		1
2163	1	75	MET	HE2	H	1.719		1
2164	1	75	MET	HE3	H	1.719		1
2165	1	75	MET	C	C	179.002		1
2166	1	75	MET	CA	C	56.812		1
2167	1	75	MET	CB	C	32.258		1
2168	1	75	MET	CG	C	33.620		1
2169	1	75	MET	CE	C	18.656		1
2170	1	75	MET	N	N	115.327	0.015	1
2171	1	76	SER	H	H	8.156	0.001	1
2172	1	76	SER	HA	H	4.333		1
2173	1	76	SER	HB2	H	4.152		1
2174	1	76	SER	HB3	H	4.152		1
2175	1	76	SER	C	C	177.737		1
2176	1	76	SER	CA	C	61.406		1
2177	1	76	SER	CB	C	62.906		1
2178	1	76	SER	N	N	117.130	0.006	1
2179	1	77	VAL	H	H	8.345	0.003	1
2180	1	77	VAL	HA	H	3.632		1
2181	1	77	VAL	HB	H	2.147		1
2182	1	77	VAL	HG11	H	1.100		2
2183	1	77	VAL	HG12	H	1.100		2
2184	1	77	VAL	HG13	H	1.100		2
2185	1	77	VAL	HG21	H	0.766		2
2186	1	77	VAL	HG22	H	0.766		2
2187	1	77	VAL	HG23	H	0.766		2
2188	1	77	VAL	C	C	178.147		1
2189	1	77	VAL	CA	C	67.028		1
2190	1	77	VAL	CB	C	31.138		1
2191	1	77	VAL	CG1	C	23.075		2
2192	1	77	VAL	CG2	C	22.284		2
2193	1	77	VAL	N	N	123.297	0.006	1
2194	1	78	MET	H	H	8.209		1
2195	1	78	MET	HA	H	4.241		1
2196	1	78	MET	HB2	H	2.293		2
2197	1	78	MET	HB3	H	1.780		2
2198	1	78	MET	HG2	H	2.574		2
2199	1	78	MET	HG3	H	2.477		2
2200	1	78	MET	HE1	H	1.393		1
2201	1	78	MET	HE2	H	1.393		1
2202	1	78	MET	HE3	H	1.393		1
2203	1	78	MET	C	C	178.096		1
2204	1	78	MET	CA	C	58.366		1
2205	1	78	MET	CB	C	32.318		1
2206	1	78	MET	CG	C	33.619		1
2207	1	78	MET	CE	C	18.576		1
2208	1	78	MET	N	N	118.023		1
2209	1	79	ASP	H	H	8.226		1
2210	1	79	ASP	HA	H	4.429		1
2211	1	79	ASP	HB2	H	2.848		2
2212	1	79	ASP	HB3	H	2.778		2
2213	1	79	ASP	C	C	178.206		1
2214	1	79	ASP	CA	C	57.883		1
2215	1	79	ASP	CB	C	41.538		1
2216	1	79	ASP	N	N	119.274		1
2217	1	80	THR	H	H	8.103		1
2218	1	80	THR	HA	H	3.845		1
2219	1	80	THR	HB	H	4.394		1
2220	1	80	THR	HG21	H	1.263		1
2221	1	80	THR	HG22	H	1.263		1
2222	1	80	THR	HG23	H	1.263		1
2223	1	80	THR	C	C	177.171		1
2224	1	80	THR	CA	C	67.278		1
2225	1	80	THR	CB	C	68.353		1
2226	1	80	THR	CG2	C	22.610		1
2227	1	80	THR	N	N	117.744		1
2228	1	81	LEU	H	H	8.405		1
2229	1	81	LEU	HA	H	3.929		1
2230	1	81	LEU	HB2	H	1.990		2
2231	1	81	LEU	HB3	H	1.858		2
2232	1	81	LEU	HG	H	1.697		1
2233	1	81	LEU	HD11	H	0.766		2
2234	1	81	LEU	HD12	H	0.766		2
2235	1	81	LEU	HD13	H	0.766		2
2236	1	81	LEU	HD21	H	0.652		2
2237	1	81	LEU	HD22	H	0.652		2
2238	1	81	LEU	HD23	H	0.652		2
2239	1	81	LEU	C	C	178.532		1
2240	1	81	LEU	CA	C	58.855		1
2241	1	81	LEU	CB	C	40.188		1
2242	1	81	LEU	CG	C	26.762		1
2243	1	81	LEU	CD1	C	25.648		2
2244	1	81	LEU	CD2	C	23.571		2
2245	1	81	LEU	N	N	123.420		1
2246	1	82	ARG	H	H	8.334		1
2247	1	82	ARG	HA	H	3.858		1
2248	1	82	ARG	HB2	H	1.896		1
2249	1	82	ARG	HB3	H	1.896		1
2250	1	82	ARG	HG2	H	1.791		2
2251	1	82	ARG	HG3	H	1.743		2
2252	1	82	ARG	HD2	H	3.208		1
2253	1	82	ARG	HD3	H	3.208		1
2254	1	82	ARG	C	C	180.614		1
2255	1	82	ARG	CA	C	59.127		1
2256	1	82	ARG	CB	C	29.913		1
2257	1	82	ARG	CG	C	27.150		1
2258	1	82	ARG	CD	C	44.137		1
2259	1	82	ARG	N	N	119.080		1
2260	1	83	LYS	H	H	8.158		1
2261	1	83	LYS	HA	H	4.005		1
2262	1	83	LYS	HB2	H	1.928		1
2263	1	83	LYS	HB3	H	1.928		1
2264	1	83	LYS	HG2	H	1.622		2
2265	1	83	LYS	HG3	H	1.436		2
2266	1	83	LYS	HD2	H	1.675		2
2267	1	83	LYS	HD3	H	1.622		2
2268	1	83	LYS	HE2	H	2.955		1
2269	1	83	LYS	HE3	H	2.955		1
2270	1	83	LYS	C	C	178.074		1
2271	1	83	LYS	CA	C	59.514		1
2272	1	83	LYS	CB	C	32.344		1
2273	1	83	LYS	CG	C	26.472		1
2274	1	83	LYS	CD	C	29.284		1
2275	1	83	LYS	CE	C	42.077		1
2276	1	83	LYS	N	N	121.385		1
2277	1	84	ALA	H	H	7.731		1
2278	1	84	ALA	HA	H	4.486		1
2279	1	84	ALA	HB1	H	1.761		1
2280	1	84	ALA	HB2	H	1.761		1
2281	1	84	ALA	HB3	H	1.761		1
2282	1	84	ALA	C	C	176.286		1
2283	1	84	ALA	CA	C	52.351		1
2284	1	84	ALA	CB	C	20.277		1
2285	1	84	ALA	N	N	120.633		1
2286	1	85	GLY	H	H	7.791		1
2287	1	85	GLY	HA2	H	4.051		2
2288	1	85	GLY	HA3	H	3.449		2
2289	1	85	GLY	C	C	173.364		1
2290	1	85	GLY	CA	C	45.059		1
2291	1	85	GLY	N	N	105.162		1
2292	1	86	TYR	H	H	7.780		1
2293	1	86	TYR	HA	H	4.492		1
2294	1	86	TYR	HB2	H	3.057		2
2295	1	86	TYR	HB3	H	2.496		2
2296	1	86	TYR	HD1	H	7.103		1
2297	1	86	TYR	HD2	H	7.103		1
2298	1	86	TYR	HE1	H	6.689		1
2299	1	86	TYR	HE2	H	6.689		1
2300	1	86	TYR	C	C	172.832		1
2301	1	86	TYR	CA	C	59.372		1
2302	1	86	TYR	CB	C	38.282		1
2303	1	86	TYR	CD1	C	133.724		1
2304	1	86	TYR	CD2	C	133.724		1
2305	1	86	TYR	CE1	C	118.051		1
2306	1	86	TYR	CE2	C	118.051		1
2307	1	86	TYR	N	N	122.778		1
2308	1	87	LEU	H	H	7.360		1
2309	1	87	LEU	HA	H	4.366		1
2310	1	87	LEU	HB2	H	1.508		2
2311	1	87	LEU	HB3	H	2.238		2
2312	1	87	LEU	HG	H	1.488		1
2313	1	87	LEU	HD11	H	0.908		2
2314	1	87	LEU	HD12	H	0.908		2
2315	1	87	LEU	HD13	H	0.908		2
2316	1	87	LEU	HD21	H	0.657		2
2317	1	87	LEU	HD22	H	0.657		2
2318	1	87	LEU	HD23	H	0.657		2
2319	1	87	LEU	C	C	177.558		1
2320	1	87	LEU	CA	C	54.002		1
2321	1	87	LEU	CB	C	40.475		1
2322	1	87	LEU	CG	C	26.997		1
2323	1	87	LEU	CD1	C	24.896		2
2324	1	87	LEU	CD2	C	21.774		2
2325	1	87	LEU	N	N	115.000		1
2326	1	88	LYS	H	H	9.191		1
2327	1	88	LYS	HA	H	4.852		1
2328	1	88	LYS	HB2	H	1.558		2
2329	1	88	LYS	HB3	H	1.854		2
2330	1	88	LYS	HG2	H	1.403		2
2331	1	88	LYS	HG3	H	1.368		2
2332	1	88	LYS	HD2	H	1.644		2
2333	1	88	LYS	HD3	H	1.593		2
2334	1	88	LYS	HE2	H	2.947		1
2335	1	88	LYS	HE3	H	2.947		1
2336	1	88	LYS	C	C	174.339		1
2337	1	88	LYS	CA	C	55.280		1
2338	1	88	LYS	CB	C	32.348		1
2339	1	88	LYS	CG	C	24.237		1
2340	1	88	LYS	CD	C	29.194		1
2341	1	88	LYS	CE	C	42.282		1
2342	1	88	LYS	N	N	121.417		1
2343	1	89	VAL	H	H	8.249	0.003	1
2344	1	89	VAL	HA	H	5.054		1
2345	1	89	VAL	HB	H	1.737		1
2346	1	89	VAL	HG11	H	0.818		2
2347	1	89	VAL	HG12	H	0.818		2
2348	1	89	VAL	HG13	H	0.818		2
2349	1	89	VAL	HG21	H	0.766		2
2350	1	89	VAL	HG22	H	0.766		2
2351	1	89	VAL	HG23	H	0.766		2
2352	1	89	VAL	C	C	175.236		1
2353	1	89	VAL	CA	C	59.184		1
2354	1	89	VAL	CB	C	36.489		1
2355	1	89	VAL	CG1	C	22.472		2
2356	1	89	VAL	CG2	C	21.644		2
2357	1	89	VAL	N	N	123.286	0.02	1
2358	1	90	GLY	H	H	8.722		1
2359	1	90	GLY	HA2	H	2.797		1
2360	1	90	GLY	HA3	H	2.797		1
2361	1	90	GLY	C	C	172.115		1
2362	1	90	GLY	CA	C	43.952		1
2363	1	90	GLY	N	N	114.174		1
2364	1	91	LEU	H	H	9.434	0.002	1
2365	1	91	LEU	HB2	H	1.868		1
2366	1	91	LEU	HB3	H	1.868		1
2367	1	91	LEU	HG	H	1.699		1
2368	1	91	LEU	HD11	H	0.723		2
2369	1	91	LEU	HD12	H	0.723		2
2370	1	91	LEU	HD13	H	0.723		2
2371	1	91	LEU	HD21	H	0.766		2
2372	1	91	LEU	HD22	H	0.766		2
2373	1	91	LEU	HD23	H	0.766		2
2374	1	91	LEU	C	C	176.624		1
2375	1	91	LEU	CA	C	54.850		1
2376	1	91	LEU	CB	C	41.331		1
2377	1	91	LEU	CG	C	26.553		1
2378	1	91	LEU	CD1	C	24.596		2
2379	1	91	LEU	CD2	C	23.231		2
2380	1	91	LEU	N	N	125.833	0.017	1
2381	1	92	VAL	H	H	8.874		1
2382	1	92	VAL	HA	H	4.502		1
2383	1	92	VAL	HB	H	2.296		1
2384	1	92	VAL	HG11	H	1.139		1
2385	1	92	VAL	HG12	H	1.139		1
2386	1	92	VAL	HG13	H	1.139		1
2387	1	92	VAL	HG21	H	1.139		1
2388	1	92	VAL	HG22	H	1.139		1
2389	1	92	VAL	HG23	H	1.139		1
2390	1	92	VAL	C	C	177.750		1
2391	1	92	VAL	CA	C	62.544		1
2392	1	92	VAL	CB	C	32.933		1
2393	1	92	VAL	CG1	C	21.613		2
2394	1	92	VAL	CG2	C	21.588		2
2395	1	92	VAL	N	N	125.288		1
2396	1	93	GLY	H	H	9.035	0.0	1
2397	1	93	GLY	HA2	H	4.241		2
2398	1	93	GLY	HA3	H	4.152		2
2399	1	93	GLY	C	C	173.951		1
2400	1	93	GLY	CA	C	45.280		1
2401	1	93	GLY	N	N	115.921		1
2402	1	94	MET	H	H	8.808		1
2403	1	94	MET	HA	H	4.451		1
2404	1	94	MET	HB2	H	2.142		1
2405	1	94	MET	HB3	H	2.142		1
2406	1	94	MET	HG2	H	2.053		1
2407	1	94	MET	HG3	H	2.053		1
2408	1	94	MET	HE1	H	2.042		1
2409	1	94	MET	HE2	H	2.042		1
2410	1	94	MET	HE3	H	2.042		1
2411	1	94	MET	C	C	176.546		1
2412	1	94	MET	CA	C	56.250		1
2413	1	94	MET	CB	C	33.008		1
2414	1	94	MET	CG	C	32.964		1
2415	1	94	MET	CE	C	17.351		1
2416	1	94	MET	N	N	120.539		1
2417	1	95	GLU	H	H	8.695		1
2418	1	95	GLU	HA	H	4.241		1
2419	1	95	GLU	HB2	H	2.060		2
2420	1	95	GLU	HB3	H	1.936		2
2421	1	95	GLU	HG2	H	2.249		1
2422	1	95	GLU	HG3	H	2.249		1
2423	1	95	GLU	C	C	176.889		1
2424	1	95	GLU	CA	C	56.759		1
2425	1	95	GLU	CB	C	30.272		1
2426	1	95	GLU	CG	C	36.273		1
2427	1	95	GLU	N	N	122.370		1
2428	1	96	GLY	H	H	8.463		1
2429	1	96	GLY	HA2	H	3.946		2
2430	1	96	GLY	HA3	H	3.897		2
2431	1	96	GLY	C	C	173.707		1
2432	1	96	GLY	CA	C	45.208		1
2433	1	96	GLY	N	N	110.159		1
2434	1	97	ALA	H	H	8.189		1
2435	1	97	ALA	HA	H	4.295		1
2436	1	97	ALA	HB1	H	1.362		1
2437	1	97	ALA	HB2	H	1.362		1
2438	1	97	ALA	HB3	H	1.362		1
2439	1	97	ALA	C	C	177.354		1
2440	1	97	ALA	CA	C	52.295		1
2441	1	97	ALA	CB	C	19.519		1
2442	1	97	ALA	N	N	123.821		1
2443	1	98	ALA	H	H	8.305		1
2444	1	98	ALA	HA	H	4.241		1
2445	1	98	ALA	HB1	H	1.356		1
2446	1	98	ALA	HB2	H	1.356		1
2447	1	98	ALA	HB3	H	1.356		1
2448	1	98	ALA	C	C	176.716		1
2449	1	98	ALA	CA	C	52.427		1
2450	1	98	ALA	CB	C	19.254		1
2451	1	98	ALA	N	N	124.091		1
2452	1	99	LYS	H	H	7.894		1
2453	1	99	LYS	HA	H	4.101		1
2454	1	99	LYS	HB2	H	1.783		2
2455	1	99	LYS	HB3	H	1.672		2
2456	1	99	LYS	HG2	H	1.361		1
2457	1	99	LYS	HG3	H	1.361		1
2458	1	99	LYS	HD2	H	1.638		1
2459	1	99	LYS	HD3	H	1.638		1
2460	1	99	LYS	HE2	H	2.962		1
2461	1	99	LYS	HE3	H	2.962		1
2462	1	99	LYS	C	C	181.323		1
2463	1	99	LYS	CA	C	57.563		1
2464	1	99	LYS	CB	C	33.727		1
2465	1	99	LYS	CG	C	24.628		1
2466	1	99	LYS	CD	C	29.125		1
2467	1	99	LYS	CE	C	42.188		1
2468	1	99	LYS	N	N	125.860		1

Release date

2023-10-20

Citation

Ton Motor Conformational Switch and Peptidoglycan Role in Bacterial Nutrient Uptake
Zinke, M., Lejeune, M., Mechaly, A., Bardiaux, B., Boneca, I.G., Delepelaire, P., Izadi-Pruneyre, N.
bioRxiv. (2023), PubMed 37609138 , DOI 10.1101/2023.08.11.552980 , Abstract

Related entities 1. Biopolymer transport protein ExbD, : 1 : 1 : 22 entities Detail

Experiments performed 18 experiments Detail

1 3D HNCA

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7, Details 50 mM sodium phosphate, 50 mM sodium chloride, 1.5 mM [U-100% 13C; U-100% 15N] periplasmic domain of ExbD from Serratia marcescens, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	50 mM
3	periplasmic domain of ExbD from Serratia marcescens	[U-100% 13C; U-100% 15N]	1.5 mM

2 3D HN(CO)CA

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	50 mM
3	periplasmic domain of ExbD from Serratia marcescens	[U-100% 13C; U-100% 15N]	1.5 mM

3 3D HNCO

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	50 mM
3	periplasmic domain of ExbD from Serratia marcescens	[U-100% 13C; U-100% 15N]	1.5 mM

4 3D HN(CA)CO

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	50 mM
3	periplasmic domain of ExbD from Serratia marcescens	[U-100% 13C; U-100% 15N]	1.5 mM

5 3D HNCACB

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	50 mM
3	periplasmic domain of ExbD from Serratia marcescens	[U-100% 13C; U-100% 15N]	1.5 mM

6 3D HN(COCA)CB

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	50 mM
3	periplasmic domain of ExbD from Serratia marcescens	[U-100% 13C; U-100% 15N]	1.5 mM

7 3D HBHA(CO)NH

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	50 mM
3	periplasmic domain of ExbD from Serratia marcescens	[U-100% 13C; U-100% 15N]	1.5 mM

8 3D HCCH-TOCSY

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	50 mM
3	periplasmic domain of ExbD from Serratia marcescens	[U-100% 13C; U-100% 15N]	1.5 mM

9 2D hbCBcgcdHD

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	50 mM
3	periplasmic domain of ExbD from Serratia marcescens	[U-100% 13C; U-100% 15N]	1.5 mM

10 2D hbCBcgcdceHE

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	50 mM
3	periplasmic domain of ExbD from Serratia marcescens	[U-100% 13C; U-100% 15N]	1.5 mM

11 2D 1H-15N TROSY

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	50 mM
3	periplasmic domain of ExbD from Serratia marcescens	[U-100% 13C; U-100% 15N]	1.5 mM

12 2D 1H-15N HSQC

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	50 mM
3	periplasmic domain of ExbD from Serratia marcescens	[U-100% 13C; U-100% 15N]	1.5 mM

13 3D 1H-15N NOESY

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	50 mM
3	periplasmic domain of ExbD from Serratia marcescens	[U-100% 13C; U-100% 15N]	1.5 mM

14 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	50 mM
3	periplasmic domain of ExbD from Serratia marcescens	[U-100% 13C; U-100% 15N]	1.5 mM

15 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7, Details 50 mM sodium phosphate, 50 mM sodium chloride, 1.5 mM [U-100% 13C; U-100% 15N] periplasmic domain of ExbD from Serratia marcescens, 100% D2O

#	Name	Isotope labeling	Concentration
4	sodium phosphate	natural abundance	50 mM
5	sodium chloride	natural abundance	50 mM
6	periplasmic domain of ExbD from Serratia marcescens	[U-100% 13C; U-100% 15N]	1.5 mM

16 3D HNCO hydrogen bond detection

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7, Details 50 mM sodium phosphate, 50 mM sodium chloride, 2 mM [U-100% 13C; U-100% 15N; U-95% 2H] periplasmic domain of ExbD from Serratia marcescens, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	sodium phosphate	natural abundance	50 mM
8	sodium chloride	natural abundance	50 mM
9	periplasmic domain of ExbD from Serratia marcescens	[U-100% 13C; U-100% 15N; U-95% 2H]	2 mM

17 3D DOUBLY-FILTERED 1H-13C NOESY

Instrument

Bruker AVANCE III HD - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7, Details 50 mM sodium phosphate, 50 mM sodium chloride, 2 mM [U-100% 13C; U-100% 15N; U-95% 2H; natural abundance] periplasmic domain of ExbD from Serratia marcescens, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
10	sodium phosphate	natural abundance	50 mM
11	sodium chloride	natural abundance	50 mM
12	periplasmic domain of ExbD from Serratia marcescens	[U-100% 13C; U-100% 15N; U-95% 2H; natural abundance]	2 mM

18 3D DOUBLY-FILTERED 1H-15N NOESY

Instrument

Bruker AVANCE III HD - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7, Details 50 mM sodium phosphate, 50 mM sodium chloride, 2 mM [U-100% 13C; U-100% 15N; U-95% 2H; natural abundance] periplasmic domain of ExbD from Serratia marcescens, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
10	sodium phosphate	natural abundance	50 mM
11	sodium chloride	natural abundance	50 mM
12	periplasmic domain of ExbD from Serratia marcescens	[U-100% 13C; U-100% 15N; U-95% 2H; natural abundance]	2 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34826_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: bmr34826_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	2468		99.0 (chain: 1, length: 99)
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: 99, Sequence coverage: 99.0%
- Total number of assignments
  - ¹H chemical shifts: 1394
  - ¹³C chemical shifts: 876
  - ¹⁵N chemical shifts: 198
- 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	594	573	96.5
¹³C chemical shifts	444	438	98.6
¹⁵N chemical shifts	106	99	93.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	197	190	96.4
¹³C chemical shifts	198	194	98.0
¹⁵N chemical shifts	93	90	96.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	397	383	96.5
¹³C chemical shifts	246	244	99.2
¹⁵N chemical shifts	13	9	69.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	62	62	100.0
¹³C chemical shifts	62	62	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	27	27	100.0
¹³C chemical shifts	27	27	100.0

Keywords TRANSPORT PROTEIN, dimer, exbb-exbd, exbb-integrated, periplasmic, ton, tonb-binding

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.507 seconds)

BMRB: 34826

Related entities 1. Biopolymer transport protein ExbD, : 1 : 1 : 22 entities Detail

Experiments performed 18 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail