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BMRB: 36331

7BQB

Solution NMR structure of NF6; de novo designed protein with a novel fold

Authors

Kobayashi, N., Nagashima, T., Minami, S., Koga, R., Chikenji, G., Koga, N.

Assembly

NF6

Entity

1. NF6 (polymer, Thiol state: not present), 106 monomers, 12471.17 Da Detail

GKLYEVDSPD SVEKIARELG LSEEQLRRIQ KEFERAERKG KLVIVYLTSD GKVEIREVTS EEELEKILKK LGVDEEIIRR IKRLRKEGQI KLVIIEGSLE HHHHHH

Formula weight

12471.17 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 738, ¹³C: 448, ¹⁵N: 101 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	GLY	HA2	H	3.891	0.030	1
2	1	1	GLY	HA3	H	3.891	0.030	1
3	1	1	GLY	H1	H	8.677	0.030	1
4	1	1	GLY	C	C	179.664	0.300	1
5	1	1	GLY	CA	C	43.703	0.300	1
6	1	2	LYS	H	H	8.667	0.030	1
7	1	2	LYS	HA	H	4.356	0.030	1
8	1	2	LYS	HB2	H	1.602	0.030	2
9	1	2	LYS	HB3	H	1.636	0.030	2
10	1	2	LYS	HG2	H	1.103	0.030	1
11	1	2	LYS	HG3	H	1.103	0.030	1
12	1	2	LYS	HD2	H	1.103	0.030	1
13	1	2	LYS	HD3	H	1.103	0.030	1
14	1	2	LYS	HE2	H	2.788	0.030	1
15	1	2	LYS	HE3	H	2.788	0.030	1
16	1	2	LYS	C	C	173.384	0.300	1
17	1	2	LYS	CA	C	56.434	0.300	1
18	1	2	LYS	CB	C	35.314	0.300	1
19	1	2	LYS	CG	C	25.170	0.300	1
20	1	2	LYS	CE	C	42.165	0.300	1
21	1	2	LYS	N	N	121.346	0.300	1
22	1	3	LEU	H	H	8.025	0.030	1
23	1	3	LEU	HA	H	5.086	0.030	1
24	1	3	LEU	HB2	H	1.404	0.030	2
25	1	3	LEU	HB3	H	1.603	0.030	2
26	1	3	LEU	HG	H	0.779	0.030	1
27	1	3	LEU	HD11	H	0.776	0.030	2
28	1	3	LEU	HD12	H	0.776	0.030	2
29	1	3	LEU	HD13	H	0.776	0.030	2
30	1	3	LEU	HD21	H	0.794	0.030	2
31	1	3	LEU	HD22	H	0.794	0.030	2
32	1	3	LEU	HD23	H	0.794	0.030	2
33	1	3	LEU	C	C	175.277	0.300	1
34	1	3	LEU	CA	C	54.224	0.300	1
35	1	3	LEU	CB	C	44.703	0.300	1
36	1	3	LEU	CD1	C	26.162	0.300	2
37	1	3	LEU	CD2	C	26.776	0.300	2
38	1	3	LEU	N	N	123.425	0.300	1
39	1	4	TYR	H	H	9.655	0.030	1
40	1	4	TYR	HA	H	4.691	0.030	1
41	1	4	TYR	HB2	H	2.782	0.030	2
42	1	4	TYR	HB3	H	2.819	0.030	2
43	1	4	TYR	HD1	H	7.021	0.030	1
44	1	4	TYR	HD2	H	7.021	0.030	1
45	1	4	TYR	HE1	H	6.677	0.030	1
46	1	4	TYR	HE2	H	6.677	0.030	1
47	1	4	TYR	C	C	174.974	0.300	1
48	1	4	TYR	CA	C	57.024	0.300	1
49	1	4	TYR	CB	C	40.545	0.300	1
50	1	4	TYR	CD1	C	133.600	0.300	1
51	1	4	TYR	CD2	C	133.600	0.300	1
52	1	4	TYR	CE1	C	117.800	0.300	1
53	1	4	TYR	CE2	C	117.800	0.300	1
54	1	4	TYR	N	N	124.932	0.300	1
55	1	5	GLU	H	H	8.896	0.030	1
56	1	5	GLU	HA	H	4.311	0.030	1
57	1	5	GLU	HB2	H	1.441	0.030	1
58	1	5	GLU	HB3	H	1.441	0.030	1
59	1	5	GLU	HG2	H	1.795	0.030	1
60	1	5	GLU	HG3	H	1.795	0.030	1
61	1	5	GLU	C	C	175.829	0.300	1
62	1	5	GLU	CA	C	56.129	0.300	1
63	1	5	GLU	CB	C	30.426	0.300	1
64	1	5	GLU	CG	C	38.975	0.300	1
65	1	5	GLU	N	N	124.100	0.300	1
66	1	6	VAL	H	H	8.102	0.030	1
67	1	6	VAL	HA	H	4.298	0.030	1
68	1	6	VAL	HB	H	2.185	0.030	1
69	1	6	VAL	HG11	H	0.700	0.030	2
70	1	6	VAL	HG12	H	0.700	0.030	2
71	1	6	VAL	HG13	H	0.700	0.030	2
72	1	6	VAL	HG21	H	0.798	0.030	2
73	1	6	VAL	HG22	H	0.798	0.030	2
74	1	6	VAL	HG23	H	0.798	0.030	2
75	1	6	VAL	CA	C	62.681	0.300	1
76	1	6	VAL	CB	C	32.785	0.300	1
77	1	6	VAL	CG1	C	21.128	0.300	2
78	1	6	VAL	CG2	C	23.472	0.300	2
79	1	6	VAL	N	N	122.278	0.300	1
80	1	7	ASP	HA	H	4.886	0.030	1
81	1	7	ASP	HB2	H	2.606	0.030	2
82	1	7	ASP	HB3	H	2.920	0.030	2
83	1	7	ASP	C	C	175.103	0.300	1
84	1	7	ASP	CA	C	53.970	0.300	1
85	1	7	ASP	CB	C	42.445	0.300	1
86	1	8	SER	H	H	7.482	0.030	1
87	1	8	SER	HA	H	4.958	0.030	1
88	1	8	SER	HB2	H	3.921	0.030	2
89	1	8	SER	HB3	H	4.123	0.030	2
90	1	8	SER	CA	C	56.198	0.300	1
91	1	8	SER	CB	C	64.248	0.300	1
92	1	8	SER	N	N	113.498	0.300	1
93	1	9	PRO	HA	H	3.731	0.030	1
94	1	9	PRO	HB2	H	1.944	0.030	2
95	1	9	PRO	HB3	H	2.201	0.030	2
96	1	9	PRO	HG2	H	1.943	0.030	2
97	1	9	PRO	HG3	H	2.133	0.030	2
98	1	9	PRO	HD2	H	3.729	0.030	2
99	1	9	PRO	HD3	H	3.912	0.030	2
100	1	9	PRO	C	C	179.153	0.300	1
101	1	9	PRO	CA	C	64.969	0.300	1
102	1	9	PRO	CB	C	31.608	0.300	1
103	1	9	PRO	CG	C	27.707	0.300	1
104	1	9	PRO	CD	C	50.801	0.300	1
105	1	10	ASP	H	H	8.118	0.030	1
106	1	10	ASP	HA	H	4.342	0.030	1
107	1	10	ASP	HB2	H	2.583	0.030	1
108	1	10	ASP	HB3	H	2.583	0.030	1
109	1	10	ASP	C	C	178.322	0.300	1
110	1	10	ASP	CA	C	56.593	0.300	1
111	1	10	ASP	CB	C	40.318	0.300	1
112	1	10	ASP	N	N	117.316	0.300	1
113	1	11	SER	H	H	7.772	0.030	1
114	1	11	SER	HA	H	4.249	0.030	1
115	1	11	SER	HB2	H	4.076	0.030	1
116	1	11	SER	HB3	H	4.076	0.030	1
117	1	11	SER	C	C	175.690	0.300	1
118	1	11	SER	CA	C	61.156	0.300	1
119	1	11	SER	CB	C	63.313	0.300	1
120	1	11	SER	N	N	115.646	0.300	1
121	1	12	VAL	H	H	7.213	0.030	1
122	1	12	VAL	HA	H	3.196	0.030	1
123	1	12	VAL	HB	H	2.120	0.030	1
124	1	12	VAL	HG11	H	0.733	0.030	2
125	1	12	VAL	HG12	H	0.733	0.030	2
126	1	12	VAL	HG13	H	0.733	0.030	2
127	1	12	VAL	HG21	H	0.727	0.030	2
128	1	12	VAL	HG22	H	0.727	0.030	2
129	1	12	VAL	HG23	H	0.727	0.030	2
130	1	12	VAL	C	C	176.612	0.300	1
131	1	12	VAL	CA	C	66.922	0.300	1
132	1	12	VAL	CB	C	31.127	0.300	1
133	1	12	VAL	CG1	C	23.837	0.300	2
134	1	12	VAL	CG2	C	22.152	0.300	2
135	1	12	VAL	N	N	119.432	0.300	1
136	1	13	GLU	H	H	7.469	0.030	1
137	1	13	GLU	HA	H	3.743	0.030	1
138	1	13	GLU	HB2	H	2.041	0.030	1
139	1	13	GLU	HB3	H	2.041	0.030	1
140	1	13	GLU	HG2	H	2.144	0.030	2
141	1	13	GLU	HG3	H	2.262	0.030	2
142	1	13	GLU	C	C	178.067	0.300	1
143	1	13	GLU	CA	C	59.947	0.300	1
144	1	13	GLU	CB	C	29.287	0.300	1
145	1	13	GLU	CG	C	36.323	0.300	1
146	1	13	GLU	N	N	117.468	0.300	1
147	1	14	LYS	H	H	7.487	0.030	1
148	1	14	LYS	HA	H	3.915	0.030	1
149	1	14	LYS	HB2	H	1.885	0.030	1
150	1	14	LYS	HB3	H	1.885	0.030	1
151	1	14	LYS	HG2	H	1.521	0.030	1
152	1	14	LYS	HG3	H	1.521	0.030	1
153	1	14	LYS	HD2	H	1.885	0.030	1
154	1	14	LYS	HD3	H	1.885	0.030	1
155	1	14	LYS	HE2	H	2.934	0.030	1
156	1	14	LYS	HE3	H	2.934	0.030	1
157	1	14	LYS	C	C	179.389	0.300	1
158	1	14	LYS	CA	C	59.774	0.300	1
159	1	14	LYS	CB	C	32.772	0.300	1
160	1	14	LYS	CG	C	25.197	0.300	1
161	1	14	LYS	CD	C	32.778	0.300	1
162	1	14	LYS	CE	C	42.117	0.300	1
163	1	14	LYS	N	N	118.290	0.300	1
164	1	15	ILE	H	H	7.945	0.030	1
165	1	15	ILE	HA	H	3.508	0.030	1
166	1	15	ILE	HB	H	1.488	0.030	1
167	1	15	ILE	HG12	H	0.802	0.030	2
168	1	15	ILE	HG13	H	1.520	0.030	2
169	1	15	ILE	HG21	H	0.215	0.030	1
170	1	15	ILE	HG22	H	0.215	0.030	1
171	1	15	ILE	HG23	H	0.215	0.030	1
172	1	15	ILE	HD11	H	0.620	0.030	1
173	1	15	ILE	HD12	H	0.620	0.030	1
174	1	15	ILE	HD13	H	0.620	0.030	1
175	1	15	ILE	C	C	177.279	0.300	1
176	1	15	ILE	CA	C	64.164	0.300	1
177	1	15	ILE	CB	C	38.143	0.300	1
178	1	15	ILE	CG1	C	29.005	0.300	1
179	1	15	ILE	CG2	C	17.132	0.300	1
180	1	15	ILE	CD1	C	15.186	0.300	1
181	1	15	ILE	N	N	120.243	0.300	1
182	1	16	ALA	H	H	8.378	0.030	1
183	1	16	ALA	HA	H	3.671	0.030	1
184	1	16	ALA	HB1	H	1.396	0.030	1
185	1	16	ALA	HB2	H	1.396	0.030	1
186	1	16	ALA	HB3	H	1.396	0.030	1
187	1	16	ALA	C	C	179.634	0.300	1
188	1	16	ALA	CA	C	55.398	0.300	1
189	1	16	ALA	CB	C	19.663	0.300	1
190	1	16	ALA	N	N	120.695	0.300	1
191	1	17	ARG	H	H	7.786	0.030	1
192	1	17	ARG	HA	H	4.126	0.030	1
193	1	17	ARG	HG2	H	1.664	0.030	1
194	1	17	ARG	HG3	H	1.664	0.030	1
195	1	17	ARG	HD2	H	3.154	0.030	1
196	1	17	ARG	HD3	H	3.154	0.030	1
197	1	17	ARG	C	C	179.602	0.300	1
198	1	17	ARG	CA	C	58.947	0.300	1
199	1	17	ARG	CB	C	29.644	0.300	1
200	1	17	ARG	CG	C	27.508	0.300	1
201	1	17	ARG	CD	C	43.325	0.300	1
202	1	17	ARG	N	N	116.092	0.300	1
203	1	18	GLU	H	H	7.803	0.030	1
204	1	18	GLU	HA	H	3.987	0.030	1
205	1	18	GLU	HB2	H	2.058	0.030	1
206	1	18	GLU	HB3	H	2.058	0.030	1
207	1	18	GLU	C	C	178.406	0.300	1
208	1	18	GLU	CA	C	59.311	0.300	1
209	1	18	GLU	CB	C	29.406	0.300	1
210	1	18	GLU	N	N	121.584	0.300	1
211	1	19	LEU	H	H	7.954	0.030	1
212	1	19	LEU	HA	H	4.122	0.030	1
213	1	19	LEU	HB2	H	1.395	0.030	1
214	1	19	LEU	HB3	H	1.395	0.030	1
215	1	19	LEU	HG	H	1.520	0.030	1
216	1	19	LEU	HD11	H	0.682	0.030	2
217	1	19	LEU	HD12	H	0.682	0.030	2
218	1	19	LEU	HD13	H	0.682	0.030	2
219	1	19	LEU	HD21	H	0.409	0.030	2
220	1	19	LEU	HD22	H	0.409	0.030	2
221	1	19	LEU	HD23	H	0.409	0.030	2
222	1	19	LEU	C	C	177.130	0.300	1
223	1	19	LEU	CA	C	54.916	0.300	1
224	1	19	LEU	CB	C	42.555	0.300	1
225	1	19	LEU	CG	C	26.363	0.300	1
226	1	19	LEU	CD1	C	22.197	0.300	2
227	1	19	LEU	CD2	C	25.563	0.300	2
228	1	19	LEU	N	N	115.490	0.300	1
229	1	20	GLY	H	H	7.623	0.030	1
230	1	20	GLY	HA2	H	3.831	0.030	1
231	1	20	GLY	HA3	H	3.831	0.030	1
232	1	20	GLY	C	C	175.442	0.300	1
233	1	20	GLY	CA	C	46.471	0.300	1
234	1	20	GLY	N	N	108.404	0.300	1
235	1	21	LEU	H	H	7.830	0.030	1
236	1	21	LEU	HA	H	4.279	0.030	1
237	1	21	LEU	HB2	H	1.475	0.030	2
238	1	21	LEU	HB3	H	1.507	0.030	2
239	1	21	LEU	HD11	H	0.575	0.030	2
240	1	21	LEU	HD12	H	0.575	0.030	2
241	1	21	LEU	HD13	H	0.575	0.030	2
242	1	21	LEU	HD21	H	0.640	0.030	2
243	1	21	LEU	HD22	H	0.640	0.030	2
244	1	21	LEU	HD23	H	0.640	0.030	2
245	1	21	LEU	C	C	177.252	0.300	1
246	1	21	LEU	CA	C	54.639	0.300	1
247	1	21	LEU	CB	C	41.337	0.300	1
248	1	21	LEU	CD1	C	25.165	0.300	2
249	1	21	LEU	CD2	C	22.241	0.300	2
250	1	21	LEU	N	N	116.966	0.300	1
251	1	22	SER	H	H	8.748	0.030	1
252	1	22	SER	HA	H	4.425	0.030	1
253	1	22	SER	HB2	H	3.977	0.030	2
254	1	22	SER	HB3	H	4.396	0.030	2
255	1	22	SER	C	C	174.734	0.300	1
256	1	22	SER	CA	C	56.994	0.300	1
257	1	22	SER	CB	C	65.485	0.300	1
258	1	22	SER	N	N	117.571	0.300	1
259	1	23	GLU	H	H	8.889	0.030	1
260	1	23	GLU	HA	H	3.970	0.030	1
261	1	23	GLU	HB2	H	1.913	0.030	2
262	1	23	GLU	HB3	H	2.056	0.030	2
263	1	23	GLU	HG2	H	2.284	0.030	1
264	1	23	GLU	HG3	H	2.284	0.030	1
265	1	23	GLU	C	C	178.483	0.300	1
266	1	23	GLU	CA	C	59.731	0.300	1
267	1	23	GLU	CB	C	29.363	0.300	1
268	1	23	GLU	CG	C	36.309	0.300	1
269	1	23	GLU	N	N	121.602	0.300	1
270	1	24	GLU	H	H	8.440	0.030	1
271	1	24	GLU	HA	H	3.962	0.030	1
272	1	24	GLU	HG2	H	2.270	0.030	1
273	1	24	GLU	HG3	H	2.270	0.030	1
274	1	24	GLU	C	C	179.596	0.300	1
275	1	24	GLU	CA	C	59.618	0.300	1
276	1	24	GLU	CB	C	29.383	0.300	1
277	1	24	GLU	N	N	117.905	0.300	1
278	1	25	GLN	H	H	7.640	0.030	1
279	1	25	GLN	HA	H	3.971	0.030	1
280	1	25	GLN	HB2	H	1.643	0.030	2
281	1	25	GLN	HB3	H	2.366	0.030	2
282	1	25	GLN	HG2	H	2.252	0.030	2
283	1	25	GLN	HG3	H	2.507	0.030	2
284	1	25	GLN	HE21	H	6.904	0.030	2
285	1	25	GLN	HE22	H	7.202	0.030	2
286	1	25	GLN	C	C	177.874	0.300	1
287	1	25	GLN	CA	C	59.089	0.300	1
288	1	25	GLN	CB	C	29.252	0.300	1
289	1	25	GLN	CG	C	34.341	0.300	1
290	1	25	GLN	N	N	119.410	0.300	1
291	1	25	GLN	NE2	N	110.994	0.300	1
292	1	26	LEU	H	H	8.453	0.030	1
293	1	26	LEU	HA	H	3.716	0.030	1
294	1	26	LEU	HB2	H	1.303	0.030	2
295	1	26	LEU	HB3	H	2.017	0.030	2
296	1	26	LEU	HG	H	1.402	0.030	1
297	1	26	LEU	HD11	H	0.733	0.030	2
298	1	26	LEU	HD12	H	0.733	0.030	2
299	1	26	LEU	HD13	H	0.733	0.030	2
300	1	26	LEU	HD21	H	0.826	0.030	2
301	1	26	LEU	HD22	H	0.826	0.030	2
302	1	26	LEU	HD23	H	0.826	0.030	2
303	1	26	LEU	C	C	178.092	0.300	1
304	1	26	LEU	CA	C	59.050	0.300	1
305	1	26	LEU	CB	C	41.398	0.300	1
306	1	26	LEU	CG	C	27.525	0.300	1
307	1	26	LEU	CD1	C	24.199	0.300	2
308	1	26	LEU	CD2	C	25.562	0.300	2
309	1	26	LEU	N	N	120.488	0.300	1
310	1	27	ARG	H	H	8.330	0.030	1
311	1	27	ARG	HA	H	4.103	0.030	1
312	1	27	ARG	CA	C	58.989	0.300	1
313	1	27	ARG	CB	C	29.644	0.300	1
314	1	27	ARG	CG	C	27.533	0.300	1
315	1	27	ARG	CD	C	43.353	0.300	1
316	1	27	ARG	N	N	117.444	0.300	1
317	1	28	ARG	H	H	7.705	0.030	1
318	1	28	ARG	HA	H	4.110	0.030	1
319	1	28	ARG	HG2	H	1.665	0.030	1
320	1	28	ARG	HG3	H	1.665	0.030	1
321	1	28	ARG	HD2	H	3.173	0.030	1
322	1	28	ARG	HD3	H	3.173	0.030	1
323	1	28	ARG	HE	H	7.857	0.030	1
324	1	28	ARG	C	C	178.935	0.300	1
325	1	28	ARG	CA	C	59.026	0.300	1
326	1	28	ARG	CB	C	29.731	0.300	1
327	1	28	ARG	CG	C	27.415	0.300	1
328	1	28	ARG	CD	C	43.351	0.300	1
329	1	28	ARG	N	N	119.248	0.300	1
330	1	29	ILE	H	H	8.176	0.030	1
331	1	29	ILE	HA	H	3.463	0.030	1
332	1	29	ILE	HB	H	1.796	0.030	1
333	1	29	ILE	HG12	H	1.915	0.030	1
334	1	29	ILE	HG13	H	1.915	0.030	1
335	1	29	ILE	HG21	H	0.815	0.030	1
336	1	29	ILE	HG22	H	0.815	0.030	1
337	1	29	ILE	HG23	H	0.815	0.030	1
338	1	29	ILE	HD11	H	0.631	0.030	1
339	1	29	ILE	HD12	H	0.631	0.030	1
340	1	29	ILE	HD13	H	0.631	0.030	1
341	1	29	ILE	C	C	177.836	0.300	1
342	1	29	ILE	CA	C	66.134	0.300	1
343	1	29	ILE	CB	C	37.486	0.300	1
344	1	29	ILE	CG1	C	29.298	0.300	1
345	1	29	ILE	CG2	C	18.791	0.300	1
346	1	29	ILE	CD1	C	13.759	0.300	1
347	1	29	ILE	N	N	119.218	0.300	1
348	1	30	GLN	H	H	8.695	0.030	1
349	1	30	GLN	HA	H	4.104	0.030	1
350	1	30	GLN	HB2	H	2.050	0.030	2
351	1	30	GLN	HB3	H	2.305	0.030	2
352	1	30	GLN	HG2	H	2.257	0.030	2
353	1	30	GLN	HG3	H	2.500	0.030	2
354	1	30	GLN	HE21	H	6.739	0.030	2
355	1	30	GLN	HE22	H	7.228	0.030	2
356	1	30	GLN	C	C	179.257	0.300	1
357	1	30	GLN	CA	C	59.841	0.300	1
358	1	30	GLN	CB	C	28.430	0.300	1
359	1	30	GLN	CG	C	34.188	0.300	1
360	1	30	GLN	N	N	119.406	0.300	1
361	1	30	GLN	NE2	N	110.644	0.300	1
362	1	31	LYS	H	H	8.013	0.030	1
363	1	31	LYS	HA	H	4.165	0.030	1
364	1	31	LYS	HB2	H	2.022	0.030	1
365	1	31	LYS	HB3	H	2.022	0.030	1
366	1	31	LYS	HG2	H	1.505	0.030	1
367	1	31	LYS	HG3	H	1.505	0.030	1
368	1	31	LYS	HD2	H	1.694	0.030	1
369	1	31	LYS	HD3	H	1.694	0.030	1
370	1	31	LYS	HE2	H	2.991	0.030	1
371	1	31	LYS	HE3	H	2.991	0.030	1
372	1	31	LYS	C	C	179.722	0.300	1
373	1	31	LYS	CA	C	58.907	0.300	1
374	1	31	LYS	CB	C	32.151	0.300	1
375	1	31	LYS	CG	C	24.971	0.300	1
376	1	31	LYS	CD	C	29.018	0.300	1
377	1	31	LYS	CE	C	42.048	0.300	1
378	1	31	LYS	N	N	119.557	0.300	1
379	1	32	GLU	H	H	8.023	0.030	1
380	1	32	GLU	HA	H	4.254	0.030	1
381	1	32	GLU	HB2	H	1.962	0.030	2
382	1	32	GLU	HB3	H	2.057	0.030	2
383	1	32	GLU	HG2	H	2.525	0.030	1
384	1	32	GLU	HG3	H	2.525	0.030	1
385	1	32	GLU	C	C	178.787	0.300	1
386	1	32	GLU	CA	C	58.148	0.300	1
387	1	32	GLU	CB	C	28.410	0.300	1
388	1	32	GLU	CG	C	35.371	0.300	1
389	1	32	GLU	N	N	119.037	0.300	1
390	1	33	PHE	H	H	8.702	0.030	1
391	1	33	PHE	HA	H	3.862	0.030	1
392	1	33	PHE	HB2	H	2.922	0.030	2
393	1	33	PHE	HB3	H	3.451	0.030	2
394	1	33	PHE	HD1	H	7.036	0.030	1
395	1	33	PHE	HD2	H	7.036	0.030	1
396	1	33	PHE	HE1	H	7.147	0.030	1
397	1	33	PHE	HE2	H	7.147	0.030	1
398	1	33	PHE	HZ	H	7.037	0.030	1
399	1	33	PHE	C	C	176.171	0.300	1
400	1	33	PHE	CA	C	62.061	0.300	1
401	1	33	PHE	CB	C	38.793	0.300	1
402	1	33	PHE	CD1	C	131.401	0.300	1
403	1	33	PHE	CD2	C	131.401	0.300	1
404	1	33	PHE	CE1	C	131.186	0.300	1
405	1	33	PHE	CE2	C	131.186	0.300	1
406	1	33	PHE	CZ	C	129.398	0.300	1
407	1	33	PHE	N	N	120.930	0.300	1
408	1	34	GLU	H	H	7.855	0.030	1
409	1	34	GLU	HA	H	3.992	0.030	1
410	1	34	GLU	HB2	H	2.185	0.030	1
411	1	34	GLU	HB3	H	2.185	0.030	1
412	1	34	GLU	HG2	H	2.286	0.030	2
413	1	34	GLU	HG3	H	2.530	0.030	2
414	1	34	GLU	C	C	178.791	0.300	1
415	1	34	GLU	CA	C	59.176	0.300	1
416	1	34	GLU	CB	C	29.718	0.300	1
417	1	34	GLU	CG	C	36.344	0.300	1
418	1	34	GLU	N	N	118.170	0.300	1
419	1	35	ARG	H	H	7.643	0.030	1
420	1	35	ARG	HA	H	3.986	0.030	1
421	1	35	ARG	HB2	H	1.882	0.030	1
422	1	35	ARG	HB3	H	1.882	0.030	1
423	1	35	ARG	HG2	H	1.718	0.030	1
424	1	35	ARG	HG3	H	1.718	0.030	1
425	1	35	ARG	HD2	H	3.192	0.030	1
426	1	35	ARG	HD3	H	3.192	0.030	1
427	1	35	ARG	HE	H	7.655	0.030	1
428	1	35	ARG	C	C	177.767	0.300	1
429	1	35	ARG	CA	C	59.126	0.300	1
430	1	35	ARG	CB	C	30.528	0.300	1
431	1	35	ARG	CG	C	27.560	0.300	1
432	1	35	ARG	CD	C	43.412	0.300	1
433	1	35	ARG	N	N	118.571	0.300	1
434	1	36	ALA	H	H	8.230	0.030	1
435	1	36	ALA	HA	H	4.025	0.030	1
436	1	36	ALA	HB1	H	1.401	0.030	1
437	1	36	ALA	HB2	H	1.401	0.030	1
438	1	36	ALA	HB3	H	1.401	0.030	1
439	1	36	ALA	C	C	180.043	0.300	1
440	1	36	ALA	CA	C	54.962	0.300	1
441	1	36	ALA	CB	C	18.530	0.300	1
442	1	36	ALA	N	N	123.250	0.300	1
443	1	37	GLU	H	H	8.241	0.030	1
444	1	37	GLU	HA	H	3.837	0.030	1
445	1	37	GLU	HB2	H	1.746	0.030	2
446	1	37	GLU	HB3	H	1.916	0.030	2
447	1	37	GLU	HG2	H	2.019	0.030	2
448	1	37	GLU	HG3	H	2.065	0.030	2
449	1	37	GLU	C	C	178.563	0.300	1
450	1	37	GLU	CA	C	59.001	0.300	1
451	1	37	GLU	CB	C	29.607	0.300	1
452	1	37	GLU	CG	C	36.400	0.300	1
453	1	37	GLU	N	N	117.692	0.300	1
454	1	38	ARG	H	H	7.861	0.030	1
455	1	38	ARG	HA	H	4.132	0.030	1
456	1	38	ARG	HB2	H	1.882	0.030	1
457	1	38	ARG	HB3	H	1.882	0.030	1
458	1	38	ARG	HG2	H	1.722	0.030	1
459	1	38	ARG	HG3	H	1.722	0.030	1
460	1	38	ARG	HD2	H	3.195	0.030	1
461	1	38	ARG	HD3	H	3.195	0.030	1
462	1	38	ARG	C	C	178.014	0.300	1
463	1	38	ARG	CA	C	58.386	0.300	1
464	1	38	ARG	CB	C	30.501	0.300	1
465	1	38	ARG	CG	C	27.539	0.300	1
466	1	38	ARG	CD	C	43.361	0.300	1
467	1	38	ARG	N	N	118.231	0.300	1
468	1	39	LYS	H	H	8.161	0.030	1
469	1	39	LYS	HA	H	4.295	0.030	1
470	1	39	LYS	HG2	H	1.279	0.030	2
471	1	39	LYS	HG3	H	1.433	0.030	2
472	1	39	LYS	HD2	H	1.634	0.030	1
473	1	39	LYS	HD3	H	1.634	0.030	1
474	1	39	LYS	HE2	H	2.923	0.030	1
475	1	39	LYS	HE3	H	2.923	0.030	1
476	1	39	LYS	C	C	177.436	0.300	1
477	1	39	LYS	CA	C	56.408	0.300	1
478	1	39	LYS	CB	C	32.857	0.300	1
479	1	39	LYS	CG	C	25.168	0.300	1
480	1	39	LYS	CD	C	28.989	0.300	1
481	1	39	LYS	CE	C	42.167	0.300	1
482	1	39	LYS	N	N	116.623	0.300	1
483	1	40	GLY	H	H	8.080	0.030	1
484	1	40	GLY	HA2	H	3.841	0.030	1
485	1	40	GLY	HA3	H	3.841	0.030	1
486	1	40	GLY	C	C	174.506	0.300	1
487	1	40	GLY	CA	C	46.492	0.300	1
488	1	40	GLY	N	N	109.156	0.300	1
489	1	41	LYS	H	H	7.593	0.030	1
490	1	41	LYS	HA	H	4.588	0.030	1
491	1	41	LYS	HB2	H	1.481	0.030	2
492	1	41	LYS	HB3	H	1.749	0.030	2
493	1	41	LYS	HG2	H	1.268	0.030	1
494	1	41	LYS	HG3	H	1.268	0.030	1
495	1	41	LYS	HD2	H	1.501	0.030	1
496	1	41	LYS	HD3	H	1.501	0.030	1
497	1	41	LYS	HE2	H	2.877	0.030	1
498	1	41	LYS	HE3	H	2.877	0.030	1
499	1	41	LYS	C	C	174.334	0.300	1
500	1	41	LYS	CA	C	54.636	0.300	1
501	1	41	LYS	CB	C	34.955	0.300	1
502	1	41	LYS	CG	C	25.107	0.300	1
503	1	41	LYS	CE	C	42.386	0.300	1
504	1	41	LYS	N	N	118.637	0.300	1
505	1	42	LEU	H	H	7.999	0.030	1
506	1	42	LEU	HA	H	4.568	0.030	1
507	1	42	LEU	HB2	H	1.323	0.030	2
508	1	42	LEU	HB3	H	1.577	0.030	2
509	1	42	LEU	HG	H	1.315	0.030	1
510	1	42	LEU	HD11	H	0.677	0.030	2
511	1	42	LEU	HD12	H	0.677	0.030	2
512	1	42	LEU	HD13	H	0.677	0.030	2
513	1	42	LEU	HD21	H	0.635	0.030	2
514	1	42	LEU	HD22	H	0.635	0.030	2
515	1	42	LEU	HD23	H	0.635	0.030	2
516	1	42	LEU	C	C	174.725	0.300	1
517	1	42	LEU	CA	C	54.716	0.300	1
518	1	42	LEU	CB	C	43.594	0.300	1
519	1	42	LEU	CG	C	27.163	0.300	1
520	1	42	LEU	CD1	C	23.932	0.300	2
521	1	42	LEU	CD2	C	26.986	0.300	2
522	1	42	LEU	N	N	122.380	0.300	1
523	1	43	VAL	H	H	7.985	0.030	1
524	1	43	VAL	HA	H	4.562	0.030	1
525	1	43	VAL	HB	H	1.871	0.030	1
526	1	43	VAL	HG11	H	0.827	0.030	2
527	1	43	VAL	HG12	H	0.827	0.030	2
528	1	43	VAL	HG13	H	0.827	0.030	2
529	1	43	VAL	HG21	H	0.957	0.030	2
530	1	43	VAL	HG22	H	0.957	0.030	2
531	1	43	VAL	HG23	H	0.957	0.030	2
532	1	43	VAL	C	C	174.024	0.300	1
533	1	43	VAL	CA	C	61.383	0.300	1
534	1	43	VAL	CB	C	34.383	0.300	1
535	1	43	VAL	CG1	C	21.988	0.300	2
536	1	43	VAL	CG2	C	22.201	0.300	2
537	1	43	VAL	N	N	125.717	0.300	1
538	1	44	ILE	H	H	8.839	0.030	1
539	1	44	ILE	HA	H	4.529	0.030	1
540	1	44	ILE	HB	H	1.737	0.030	1
541	1	44	ILE	HG12	H	0.949	0.030	2
542	1	44	ILE	HG13	H	1.383	0.030	2
543	1	44	ILE	HG21	H	0.629	0.030	1
544	1	44	ILE	HG22	H	0.629	0.030	1
545	1	44	ILE	HG23	H	0.629	0.030	1
546	1	44	ILE	HD11	H	0.635	0.030	1
547	1	44	ILE	HD12	H	0.635	0.030	1
548	1	44	ILE	HD13	H	0.635	0.030	1
549	1	44	ILE	C	C	174.535	0.300	1
550	1	44	ILE	CA	C	59.452	0.300	1
551	1	44	ILE	CB	C	39.658	0.300	1
552	1	44	ILE	CG1	C	27.578	0.300	1
553	1	44	ILE	CG2	C	17.245	0.300	1
554	1	44	ILE	CD1	C	13.676	0.300	1
555	1	44	ILE	N	N	125.365	0.300	1
556	1	45	VAL	H	H	9.012	0.030	1
557	1	45	VAL	HA	H	4.708	0.030	1
558	1	45	VAL	HB	H	2.172	0.030	1
559	1	45	VAL	HG11	H	0.854	0.030	2
560	1	45	VAL	HG12	H	0.854	0.030	2
561	1	45	VAL	HG13	H	0.854	0.030	2
562	1	45	VAL	HG21	H	0.734	0.030	2
563	1	45	VAL	HG22	H	0.734	0.030	2
564	1	45	VAL	HG23	H	0.734	0.030	2
565	1	45	VAL	C	C	173.373	0.300	1
566	1	45	VAL	CA	C	60.818	0.300	1
567	1	45	VAL	CB	C	32.870	0.300	1
568	1	45	VAL	CG1	C	21.487	0.300	2
569	1	45	VAL	CG2	C	21.192	0.300	2
570	1	45	VAL	N	N	128.151	0.300	1
571	1	46	TYR	H	H	9.407	0.030	1
572	1	46	TYR	HA	H	5.405	0.030	1
573	1	46	TYR	HB2	H	2.656	0.030	2
574	1	46	TYR	HB3	H	2.902	0.030	2
575	1	46	TYR	HD1	H	6.835	0.030	1
576	1	46	TYR	HD2	H	6.835	0.030	1
577	1	46	TYR	HE1	H	6.628	0.030	1
578	1	46	TYR	HE2	H	6.628	0.030	1
579	1	46	TYR	HH	H	8.551	0.030	1
580	1	46	TYR	C	C	173.455	0.300	1
581	1	46	TYR	CA	C	55.721	0.300	1
582	1	46	TYR	CB	C	41.221	0.300	1
583	1	46	TYR	CD1	C	133.049	0.300	1
584	1	46	TYR	CD2	C	133.049	0.300	1
585	1	46	TYR	CE1	C	118.188	0.300	1
586	1	46	TYR	CE2	C	118.188	0.300	1
587	1	46	TYR	N	N	128.305	0.300	1
588	1	47	LEU	H	H	8.276	0.030	1
589	1	47	LEU	HA	H	5.047	0.030	1
590	1	47	LEU	HB2	H	1.518	0.030	2
591	1	47	LEU	HB3	H	1.637	0.030	2
592	1	47	LEU	HG	H	0.726	0.030	1
593	1	47	LEU	HD11	H	0.707	0.030	1
594	1	47	LEU	HD12	H	0.707	0.030	1
595	1	47	LEU	HD13	H	0.707	0.030	1
596	1	47	LEU	HD21	H	0.723	0.030	1
597	1	47	LEU	HD22	H	0.723	0.030	1
598	1	47	LEU	HD23	H	0.723	0.030	1
599	1	47	LEU	C	C	176.061	0.300	1
600	1	47	LEU	CA	C	52.928	0.300	1
601	1	47	LEU	CB	C	42.757	0.300	1
602	1	47	LEU	CG	C	25.640	0.300	1
603	1	47	LEU	CD1	C	25.655	0.300	1
604	1	47	LEU	CD2	C	25.655	0.300	1
605	1	47	LEU	N	N	127.685	0.300	1
606	1	48	THR	H	H	8.450	0.030	1
607	1	48	THR	HA	H	4.341	0.030	1
608	1	48	THR	HB	H	4.653	0.030	1
609	1	48	THR	HG21	H	1.212	0.030	1
610	1	48	THR	HG22	H	1.212	0.030	1
611	1	48	THR	HG23	H	1.212	0.030	1
612	1	48	THR	C	C	177.388	0.300	1
613	1	48	THR	CA	C	60.961	0.300	1
614	1	48	THR	CB	C	70.877	0.300	1
615	1	48	THR	CG2	C	22.254	0.300	1
616	1	48	THR	N	N	113.848	0.300	1
617	1	49	SER	H	H	9.032	0.030	1
618	1	49	SER	HA	H	4.190	0.030	1
619	1	49	SER	HB2	H	3.933	0.030	2
620	1	49	SER	HB3	H	4.006	0.030	2
621	1	49	SER	C	C	174.770	0.300	1
622	1	49	SER	CA	C	60.927	0.300	1
623	1	49	SER	CB	C	62.912	0.300	1
624	1	49	SER	N	N	116.544	0.300	1
625	1	50	ASP	H	H	8.103	0.030	1
626	1	50	ASP	HA	H	4.685	0.030	1
627	1	50	ASP	HB2	H	2.609	0.030	2
628	1	50	ASP	HB3	H	2.876	0.030	2
629	1	50	ASP	C	C	176.230	0.300	1
630	1	50	ASP	CA	C	52.930	0.300	1
631	1	50	ASP	CB	C	39.835	0.300	1
632	1	50	ASP	N	N	117.197	0.300	1
633	1	51	GLY	H	H	7.885	0.030	1
634	1	51	GLY	HA2	H	3.648	0.030	2
635	1	51	GLY	HA3	H	4.039	0.030	2
636	1	51	GLY	C	C	179.403	0.300	1
637	1	51	GLY	CA	C	46.377	0.300	1
638	1	51	GLY	N	N	107.814	0.300	1
639	1	52	LYS	H	H	7.706	0.030	1
640	1	52	LYS	HA	H	4.430	0.030	1
641	1	52	LYS	HB2	H	1.817	0.030	1
642	1	52	LYS	HB3	H	1.817	0.030	1
643	1	52	LYS	HG2	H	1.222	0.030	2
644	1	52	LYS	HG3	H	1.629	0.030	2
645	1	52	LYS	HD2	H	1.226	0.030	1
646	1	52	LYS	HD3	H	1.226	0.030	1
647	1	52	LYS	HE2	H	2.930	0.030	1
648	1	52	LYS	HE3	H	2.930	0.030	1
649	1	52	LYS	C	C	175.513	0.300	1
650	1	52	LYS	CA	C	55.207	0.300	1
651	1	52	LYS	CB	C	33.154	0.300	1
652	1	52	LYS	CG	C	28.992	0.300	1
653	1	52	LYS	CE	C	42.182	0.300	1
654	1	52	LYS	N	N	119.571	0.300	1
655	1	53	VAL	H	H	8.211	0.030	1
656	1	53	VAL	HA	H	4.698	0.030	1
657	1	53	VAL	HB	H	1.904	0.030	1
658	1	53	VAL	HG11	H	0.817	0.030	2
659	1	53	VAL	HG12	H	0.817	0.030	2
660	1	53	VAL	HG13	H	0.817	0.030	2
661	1	53	VAL	HG21	H	0.704	0.030	2
662	1	53	VAL	HG22	H	0.704	0.030	2
663	1	53	VAL	HG23	H	0.704	0.030	2
664	1	53	VAL	C	C	175.443	0.300	1
665	1	53	VAL	CA	C	61.110	0.300	1
666	1	53	VAL	CB	C	33.578	0.300	1
667	1	53	VAL	CG1	C	21.113	0.300	2
668	1	53	VAL	CG2	C	21.898	0.300	2
669	1	53	VAL	N	N	119.764	0.300	1
670	1	54	GLU	H	H	9.175	0.030	1
671	1	54	GLU	HA	H	4.701	0.030	1
672	1	54	GLU	C	C	175.126	0.300	1
673	1	54	GLU	CA	C	55.000	0.300	1
674	1	54	GLU	CB	C	32.163	0.300	1
675	1	54	GLU	CG	C	36.180	0.300	1
676	1	54	GLU	N	N	127.757	0.300	1
677	1	55	ILE	H	H	8.667	0.030	1
678	1	55	ILE	HA	H	4.951	0.030	1
679	1	55	ILE	HB	H	1.727	0.030	1
680	1	55	ILE	HG12	H	1.017	0.030	2
681	1	55	ILE	HG13	H	1.448	0.030	2
682	1	55	ILE	HG21	H	0.716	0.030	1
683	1	55	ILE	HG22	H	0.716	0.030	1
684	1	55	ILE	HG23	H	0.716	0.030	1
685	1	55	ILE	HD11	H	0.716	0.030	1
686	1	55	ILE	HD12	H	0.716	0.030	1
687	1	55	ILE	HD13	H	0.716	0.030	1
688	1	55	ILE	C	C	176.132	0.300	1
689	1	55	ILE	CA	C	60.061	0.300	1
690	1	55	ILE	CB	C	39.730	0.300	1
691	1	55	ILE	CG1	C	28.065	0.300	1
692	1	55	ILE	CG2	C	17.988	0.300	1
693	1	55	ILE	CD1	C	13.435	0.300	1
694	1	55	ILE	N	N	123.842	0.300	1
695	1	56	ARG	H	H	9.103	0.030	1
696	1	56	ARG	HA	H	4.766	0.030	1
697	1	56	ARG	HB2	H	1.594	0.030	2
698	1	56	ARG	HB3	H	1.730	0.030	2
699	1	56	ARG	HG2	H	1.518	0.030	1
700	1	56	ARG	HG3	H	1.518	0.030	1
701	1	56	ARG	HD2	H	3.073	0.030	2
702	1	56	ARG	HD3	H	3.287	0.030	2
703	1	56	ARG	C	C	174.024	0.300	1
704	1	56	ARG	CA	C	53.796	0.300	1
705	1	56	ARG	CB	C	33.591	0.300	1
706	1	56	ARG	CG	C	26.958	0.300	1
707	1	56	ARG	CD	C	43.007	0.300	1
708	1	56	ARG	N	N	126.632	0.300	1
709	1	57	GLU	H	H	8.739	0.030	1
710	1	57	GLU	HA	H	4.780	0.030	1
711	1	57	GLU	HB2	H	1.896	0.030	1
712	1	57	GLU	HB3	H	1.896	0.030	1
713	1	57	GLU	HG2	H	2.012	0.030	2
714	1	57	GLU	HG3	H	2.092	0.030	2
715	1	57	GLU	C	C	175.775	0.300	1
716	1	57	GLU	CA	C	55.588	0.300	1
717	1	57	GLU	CB	C	31.543	0.300	1
718	1	57	GLU	CG	C	36.542	0.300	1
719	1	57	GLU	N	N	123.996	0.300	1
720	1	58	VAL	H	H	8.719	0.030	1
721	1	58	VAL	HA	H	4.402	0.030	1
722	1	58	VAL	HB	H	2.099	0.030	1
723	1	58	VAL	HG11	H	0.820	0.030	2
724	1	58	VAL	HG12	H	0.820	0.030	2
725	1	58	VAL	HG13	H	0.820	0.030	2
726	1	58	VAL	HG21	H	0.837	0.030	2
727	1	58	VAL	HG22	H	0.837	0.030	2
728	1	58	VAL	HG23	H	0.837	0.030	2
729	1	58	VAL	C	C	176.209	0.300	1
730	1	58	VAL	CA	C	61.308	0.300	1
731	1	58	VAL	CB	C	33.793	0.300	1
732	1	58	VAL	CG1	C	21.131	0.300	2
733	1	58	VAL	CG2	C	22.849	0.300	2
734	1	58	VAL	N	N	121.194	0.300	1
735	1	59	THR	H	H	9.071	0.030	1
736	1	59	THR	HA	H	4.467	0.030	1
737	1	59	THR	HB	H	4.340	0.030	1
738	1	59	THR	HG21	H	1.208	0.030	1
739	1	59	THR	HG22	H	1.208	0.030	1
740	1	59	THR	HG23	H	1.208	0.030	1
741	1	59	THR	C	C	174.260	0.300	1
742	1	59	THR	CA	C	62.776	0.300	1
743	1	59	THR	CB	C	70.021	0.300	1
744	1	59	THR	CG2	C	21.914	0.300	1
745	1	59	THR	N	N	117.144	0.300	1
746	1	60	SER	H	H	7.700	0.030	1
747	1	60	SER	HA	H	4.776	0.030	1
748	1	60	SER	HB2	H	3.981	0.030	2
749	1	60	SER	HB3	H	4.278	0.030	2
750	1	60	SER	CA	C	56.767	0.300	1
751	1	60	SER	CB	C	66.339	0.300	1
752	1	60	SER	N	N	114.772	0.300	1
753	1	61	GLU	H	H	9.133	0.030	1
754	1	61	GLU	HA	H	3.822	0.030	1
755	1	61	GLU	HB2	H	2.055	0.030	1
756	1	61	GLU	HB3	H	2.055	0.030	1
757	1	61	GLU	HG2	H	2.240	0.030	1
758	1	61	GLU	HG3	H	2.240	0.030	1
759	1	61	GLU	C	C	177.648	0.300	1
760	1	61	GLU	CA	C	60.113	0.300	1
761	1	61	GLU	CB	C	29.887	0.300	1
762	1	61	GLU	CG	C	37.741	0.300	1
763	1	61	GLU	N	N	122.730	0.300	1
764	1	62	GLU	H	H	8.759	0.030	1
765	1	62	GLU	HB2	H	1.913	0.030	2
766	1	62	GLU	HB3	H	2.059	0.030	2
767	1	62	GLU	C	C	179.082	0.300	1
768	1	62	GLU	CA	C	59.844	0.300	1
769	1	62	GLU	CB	C	29.379	0.300	1
770	1	62	GLU	N	N	119.366	0.300	1
771	1	63	GLU	H	H	7.779	0.030	1
772	1	63	GLU	HB2	H	1.867	0.030	1
773	1	63	GLU	HB3	H	1.867	0.030	1
774	1	63	GLU	HG2	H	2.267	0.030	2
775	1	63	GLU	HG3	H	2.353	0.030	2
776	1	63	GLU	C	C	177.950	0.300	1
777	1	63	GLU	CA	C	58.908	0.300	1
778	1	63	GLU	CB	C	30.372	0.300	1
779	1	63	GLU	CG	C	33.861	0.300	1
780	1	63	GLU	N	N	120.026	0.300	1
781	1	64	LEU	H	H	7.702	0.030	1
782	1	64	LEU	HA	H	3.817	0.030	1
783	1	64	LEU	HB2	H	1.568	0.030	2
784	1	64	LEU	HB3	H	2.207	0.030	2
785	1	64	LEU	HG	H	1.468	0.030	1
786	1	64	LEU	HD11	H	0.818	0.030	1
787	1	64	LEU	HD12	H	0.818	0.030	1
788	1	64	LEU	HD13	H	0.818	0.030	1
789	1	64	LEU	HD21	H	0.805	0.030	1
790	1	64	LEU	HD22	H	0.805	0.030	1
791	1	64	LEU	HD23	H	0.805	0.030	1
792	1	64	LEU	C	C	177.455	0.300	1
793	1	64	LEU	CA	C	58.662	0.300	1
794	1	64	LEU	CB	C	42.071	0.300	1
795	1	64	LEU	CD1	C	24.725	0.300	1
796	1	64	LEU	CD2	C	24.725	0.300	1
797	1	64	LEU	N	N	119.164	0.300	1
798	1	65	GLU	H	H	8.092	0.030	1
799	1	65	GLU	HA	H	3.646	0.030	1
800	1	65	GLU	HB2	H	2.054	0.030	1
801	1	65	GLU	HB3	H	2.054	0.030	1
802	1	65	GLU	HG2	H	2.249	0.030	1
803	1	65	GLU	HG3	H	2.249	0.030	1
804	1	65	GLU	C	C	177.447	0.300	1
805	1	65	GLU	CA	C	60.423	0.300	1
806	1	65	GLU	CB	C	29.970	0.300	1
807	1	65	GLU	N	N	117.271	0.300	1
808	1	66	LYS	H	H	7.696	0.030	1
809	1	66	LYS	HA	H	3.904	0.030	1
810	1	66	LYS	HB2	H	1.884	0.030	1
811	1	66	LYS	HB3	H	1.884	0.030	1
812	1	66	LYS	HG2	H	1.381	0.030	1
813	1	66	LYS	HG3	H	1.381	0.030	1
814	1	66	LYS	HD2	H	1.638	0.030	1
815	1	66	LYS	HD3	H	1.638	0.030	1
816	1	66	LYS	HE2	H	2.928	0.030	1
817	1	66	LYS	HE3	H	2.928	0.030	1
818	1	66	LYS	C	C	179.934	0.300	1
819	1	66	LYS	CA	C	59.929	0.300	1
820	1	66	LYS	CB	C	32.734	0.300	1
821	1	66	LYS	CG	C	25.367	0.300	1
822	1	66	LYS	CE	C	42.103	0.300	1
823	1	66	LYS	N	N	117.634	0.300	1
824	1	67	ILE	H	H	8.310	0.030	1
825	1	67	ILE	HA	H	3.713	0.030	1
826	1	67	ILE	HB	H	1.779	0.030	1
827	1	67	ILE	HG12	H	1.107	0.030	2
828	1	67	ILE	HG13	H	1.663	0.030	2
829	1	67	ILE	HG21	H	0.760	0.030	1
830	1	67	ILE	HG22	H	0.760	0.030	1
831	1	67	ILE	HG23	H	0.760	0.030	1
832	1	67	ILE	HD11	H	0.765	0.030	1
833	1	67	ILE	HD12	H	0.765	0.030	1
834	1	67	ILE	HD13	H	0.765	0.030	1
835	1	67	ILE	C	C	177.827	0.300	1
836	1	67	ILE	CA	C	64.245	0.300	1
837	1	67	ILE	CB	C	38.083	0.300	1
838	1	67	ILE	CG1	C	29.215	0.300	1
839	1	67	ILE	CG2	C	17.602	0.300	1
840	1	67	ILE	CD1	C	14.047	0.300	1
841	1	67	ILE	N	N	118.884	0.300	1
842	1	68	LEU	H	H	8.017	0.030	1
843	1	68	LEU	HA	H	3.882	0.030	1
844	1	68	LEU	HB2	H	1.101	0.030	2
845	1	68	LEU	HB3	H	1.799	0.030	2
846	1	68	LEU	HG	H	2.000	0.030	1
847	1	68	LEU	HD11	H	0.682	0.030	2
848	1	68	LEU	HD12	H	0.682	0.030	2
849	1	68	LEU	HD13	H	0.682	0.030	2
850	1	68	LEU	HD21	H	0.773	0.030	2
851	1	68	LEU	HD22	H	0.773	0.030	2
852	1	68	LEU	HD23	H	0.773	0.030	2
853	1	68	LEU	C	C	179.099	0.300	1
854	1	68	LEU	CA	C	58.040	0.300	1
855	1	68	LEU	CB	C	40.615	0.300	1
856	1	68	LEU	CG	C	26.838	0.300	1
857	1	68	LEU	CD1	C	22.728	0.300	2
858	1	68	LEU	CD2	C	27.570	0.300	2
859	1	68	LEU	N	N	117.359	0.300	1
860	1	69	LYS	H	H	8.405	0.030	1
861	1	69	LYS	HA	H	4.076	0.030	1
862	1	69	LYS	HB2	H	1.808	0.030	1
863	1	69	LYS	HB3	H	1.808	0.030	1
864	1	69	LYS	HG2	H	1.622	0.030	1
865	1	69	LYS	HG3	H	1.622	0.030	1
866	1	69	LYS	HD2	H	1.628	0.030	1
867	1	69	LYS	HD3	H	1.628	0.030	1
868	1	69	LYS	HE2	H	2.924	0.030	1
869	1	69	LYS	HE3	H	2.924	0.030	1
870	1	69	LYS	C	C	181.048	0.300	1
871	1	69	LYS	CA	C	59.702	0.300	1
872	1	69	LYS	CB	C	32.161	0.300	1
873	1	69	LYS	CG	C	25.851	0.300	1
874	1	69	LYS	CE	C	42.101	0.300	1
875	1	69	LYS	N	N	119.149	0.300	1
876	1	70	LYS	H	H	7.683	0.030	1
877	1	70	LYS	HA	H	4.038	0.030	1
878	1	70	LYS	HB2	H	1.944	0.030	1
879	1	70	LYS	HB3	H	1.944	0.030	1
880	1	70	LYS	HG2	H	1.501	0.030	1
881	1	70	LYS	HG3	H	1.501	0.030	1
882	1	70	LYS	HE2	H	2.930	0.030	1
883	1	70	LYS	HE3	H	2.930	0.030	1
884	1	70	LYS	C	C	178.272	0.300	1
885	1	70	LYS	CA	C	59.101	0.300	1
886	1	70	LYS	CB	C	31.935	0.300	1
887	1	70	LYS	CG	C	25.092	0.300	1
888	1	70	LYS	CE	C	42.067	0.300	1
889	1	70	LYS	N	N	121.566	0.300	1
890	1	71	LEU	H	H	7.391	0.030	1
891	1	71	LEU	HA	H	4.105	0.030	1
892	1	71	LEU	HB2	H	1.315	0.030	2
893	1	71	LEU	HB3	H	1.586	0.030	2
894	1	71	LEU	HG	H	1.634	0.030	1
895	1	71	LEU	HD11	H	0.252	0.030	2
896	1	71	LEU	HD12	H	0.252	0.030	2
897	1	71	LEU	HD13	H	0.252	0.030	2
898	1	71	LEU	HD21	H	0.405	0.030	2
899	1	71	LEU	HD22	H	0.405	0.030	2
900	1	71	LEU	HD23	H	0.405	0.030	2
901	1	71	LEU	C	C	176.772	0.300	1
902	1	71	LEU	CA	C	54.906	0.300	1
903	1	71	LEU	CB	C	42.162	0.300	1
904	1	71	LEU	CG	C	26.312	0.300	1
905	1	71	LEU	CD1	C	21.183	0.300	2
906	1	71	LEU	CD2	C	25.516	0.300	2
907	1	71	LEU	N	N	116.769	0.300	1
908	1	72	GLY	H	H	7.686	0.030	1
909	1	72	GLY	HA2	H	3.765	0.030	1
910	1	72	GLY	HA3	H	3.765	0.030	1
911	1	72	GLY	CA	C	46.150	0.300	1
912	1	72	GLY	N	N	107.132	0.300	1
913	1	73	VAL	H	H	7.519	0.030	1
914	1	73	VAL	HA	H	3.819	0.030	1
915	1	73	VAL	HB	H	1.688	0.030	1
916	1	73	VAL	HG11	H	1.023	0.030	2
917	1	73	VAL	HG12	H	1.023	0.030	2
918	1	73	VAL	HG13	H	1.023	0.030	2
919	1	73	VAL	HG21	H	0.866	0.030	2
920	1	73	VAL	HG22	H	0.866	0.030	2
921	1	73	VAL	HG23	H	0.866	0.030	2
922	1	73	VAL	C	C	174.647	0.300	1
923	1	73	VAL	CA	C	62.564	0.300	1
924	1	73	VAL	CB	C	31.928	0.300	1
925	1	73	VAL	CG1	C	22.449	0.300	2
926	1	73	VAL	CG2	C	22.399	0.300	2
927	1	73	VAL	N	N	120.555	0.300	1
928	1	74	ASP	H	H	8.196	0.030	1
929	1	74	ASP	HA	H	4.419	0.030	1
930	1	74	ASP	HB2	H	2.728	0.030	1
931	1	74	ASP	HB3	H	2.728	0.030	1
932	1	74	ASP	C	C	177.145	0.300	1
933	1	74	ASP	CA	C	54.988	0.300	1
934	1	74	ASP	CB	C	42.822	0.300	1
935	1	74	ASP	N	N	124.754	0.300	1
936	1	75	GLU	H	H	8.801	0.030	1
937	1	75	GLU	HA	H	3.835	0.030	1
938	1	75	GLU	HB2	H	2.060	0.030	1
939	1	75	GLU	HB3	H	2.060	0.030	1
940	1	75	GLU	HG2	H	2.298	0.030	1
941	1	75	GLU	HG3	H	2.298	0.030	1
942	1	75	GLU	C	C	178.284	0.300	1
943	1	75	GLU	CA	C	60.086	0.300	1
944	1	75	GLU	CB	C	29.469	0.300	1
945	1	75	GLU	CG	C	36.282	0.300	1
946	1	75	GLU	N	N	123.046	0.300	1
947	1	76	GLU	H	H	8.919	0.030	1
948	1	76	GLU	HG2	H	2.286	0.030	1
949	1	76	GLU	HG3	H	2.286	0.030	1
950	1	76	GLU	C	C	179.411	0.300	1
951	1	76	GLU	CA	C	59.689	0.300	1
952	1	76	GLU	CB	C	28.984	0.300	1
953	1	76	GLU	CG	C	36.299	0.300	1
954	1	76	GLU	N	N	119.218	0.300	1
955	1	77	ILE	H	H	7.427	0.030	1
956	1	77	ILE	HA	H	3.747	0.030	1
957	1	77	ILE	HB	H	2.067	0.030	1
958	1	77	ILE	HG12	H	1.233	0.030	1
959	1	77	ILE	HG13	H	1.233	0.030	1
960	1	77	ILE	HG21	H	0.835	0.030	1
961	1	77	ILE	HG22	H	0.835	0.030	1
962	1	77	ILE	HG23	H	0.835	0.030	1
963	1	77	ILE	HD11	H	0.845	0.030	1
964	1	77	ILE	HD12	H	0.845	0.030	1
965	1	77	ILE	HD13	H	0.845	0.030	1
966	1	77	ILE	C	C	177.949	0.300	1
967	1	77	ILE	CA	C	63.923	0.300	1
968	1	77	ILE	CB	C	36.458	0.300	1
969	1	77	ILE	CG1	C	28.684	0.300	1
970	1	77	ILE	CG2	C	18.616	0.300	1
971	1	77	ILE	CD1	C	11.748	0.300	1
972	1	77	ILE	N	N	120.745	0.300	1
973	1	78	ILE	H	H	7.951	0.030	1
974	1	78	ILE	HA	H	3.257	0.030	1
975	1	78	ILE	HB	H	1.977	0.030	1
976	1	78	ILE	HG12	H	0.626	0.030	1
977	1	78	ILE	HG13	H	0.626	0.030	1
978	1	78	ILE	HG21	H	0.796	0.030	1
979	1	78	ILE	HG22	H	0.796	0.030	1
980	1	78	ILE	HG23	H	0.796	0.030	1
981	1	78	ILE	HD11	H	0.735	0.030	1
982	1	78	ILE	HD12	H	0.735	0.030	1
983	1	78	ILE	HD13	H	0.735	0.030	1
984	1	78	ILE	C	C	177.563	0.300	1
985	1	78	ILE	CA	C	67.237	0.300	1
986	1	78	ILE	CB	C	37.169	0.300	1
987	1	78	ILE	CG1	C	28.998	0.300	1
988	1	78	ILE	CG2	C	17.060	0.300	1
989	1	78	ILE	CD1	C	13.494	0.300	1
990	1	78	ILE	N	N	120.655	0.300	1
991	1	79	ARG	H	H	8.087	0.030	1
992	1	79	ARG	HA	H	3.773	0.030	1
993	1	79	ARG	HG2	H	1.549	0.030	2
994	1	79	ARG	HG3	H	1.835	0.030	2
995	1	79	ARG	HD2	H	3.248	0.030	1
996	1	79	ARG	HD3	H	3.248	0.030	1
997	1	79	ARG	C	C	179.173	0.300	1
998	1	79	ARG	CA	C	60.556	0.300	1
999	1	79	ARG	CB	C	30.079	0.300	1
1000	1	79	ARG	CG	C	28.272	0.300	1
1001	1	79	ARG	CD	C	43.532	0.300	1
1002	1	79	ARG	N	N	117.399	0.300	1
1003	1	80	ARG	H	H	7.552	0.030	1
1004	1	80	ARG	HA	H	4.082	0.030	1
1005	1	80	ARG	HB2	H	1.659	0.030	1
1006	1	80	ARG	HB3	H	1.659	0.030	1
1007	1	80	ARG	HG2	H	1.389	0.030	1
1008	1	80	ARG	HG3	H	1.389	0.030	1
1009	1	80	ARG	HD2	H	3.003	0.030	2
1010	1	80	ARG	HD3	H	3.257	0.030	2
1011	1	80	ARG	HE	H	8.778	0.030	1
1012	1	80	ARG	C	C	177.921	0.300	1
1013	1	80	ARG	CA	C	59.615	0.300	1
1014	1	80	ARG	CB	C	29.443	0.300	1
1015	1	80	ARG	CG	C	27.685	0.300	1
1016	1	80	ARG	CD	C	43.355	0.300	1
1017	1	80	ARG	N	N	120.577	0.300	1
1018	1	80	ARG	NE	N	86.548	0.300	1
1019	1	81	ILE	H	H	8.613	0.030	1
1020	1	81	ILE	HA	H	3.549	0.030	1
1021	1	81	ILE	HB	H	1.840	0.030	1
1022	1	81	ILE	HG12	H	1.212	0.030	1
1023	1	81	ILE	HG13	H	1.212	0.030	1
1024	1	81	ILE	HG21	H	0.811	0.030	1
1025	1	81	ILE	HG22	H	0.811	0.030	1
1026	1	81	ILE	HG23	H	0.811	0.030	1
1027	1	81	ILE	HD11	H	0.730	0.030	1
1028	1	81	ILE	HD12	H	0.730	0.030	1
1029	1	81	ILE	HD13	H	0.730	0.030	1
1030	1	81	ILE	C	C	178.015	0.300	1
1031	1	81	ILE	CA	C	64.772	0.300	1
1032	1	81	ILE	CB	C	36.179	0.300	1
1033	1	81	ILE	CG1	C	29.139	0.300	1
1034	1	81	ILE	CD1	C	12.999	0.300	1
1035	1	81	ILE	N	N	119.434	0.300	1
1036	1	82	LYS	H	H	8.530	0.030	1
1037	1	82	LYS	HA	H	3.778	0.030	1
1038	1	82	LYS	HB2	H	1.841	0.030	1
1039	1	82	LYS	HB3	H	1.841	0.030	1
1040	1	82	LYS	HG2	H	1.213	0.030	1
1041	1	82	LYS	HG3	H	1.213	0.030	1
1042	1	82	LYS	HD2	H	1.213	0.030	1
1043	1	82	LYS	HD3	H	1.213	0.030	1
1044	1	82	LYS	HE2	H	2.703	0.030	1
1045	1	82	LYS	HE3	H	2.703	0.030	1
1046	1	82	LYS	CA	C	60.676	0.300	1
1047	1	82	LYS	CB	C	32.684	0.300	1
1048	1	82	LYS	CG	C	26.764	0.300	1
1049	1	82	LYS	CD	C	26.763	0.300	1
1050	1	82	LYS	CE	C	41.729	0.300	1
1051	1	82	LYS	N	N	119.141	0.300	1
1052	1	83	ARG	H	H	7.518	0.030	1
1053	1	83	ARG	HB2	H	1.913	0.030	1
1054	1	83	ARG	HB3	H	1.913	0.030	1
1055	1	83	ARG	HG2	H	1.390	0.030	1
1056	1	83	ARG	HG3	H	1.390	0.030	1
1057	1	83	ARG	HD2	H	3.004	0.030	1
1058	1	83	ARG	HD3	H	3.004	0.030	1
1059	1	83	ARG	C	C	178.047	0.300	1
1060	1	83	ARG	CA	C	59.515	0.300	1
1061	1	83	ARG	CB	C	29.560	0.300	1
1062	1	83	ARG	CG	C	27.588	0.300	1
1063	1	83	ARG	CD	C	43.343	0.300	1
1064	1	83	ARG	N	N	120.497	0.300	1
1065	1	84	LEU	H	H	8.529	0.030	1
1066	1	84	LEU	HA	H	3.991	0.030	1
1067	1	84	LEU	HB2	H	1.209	0.030	2
1068	1	84	LEU	HB3	H	1.855	0.030	2
1069	1	84	LEU	HG	H	1.854	0.030	1
1070	1	84	LEU	HD11	H	0.792	0.030	2
1071	1	84	LEU	HD12	H	0.792	0.030	2
1072	1	84	LEU	HD13	H	0.792	0.030	2
1073	1	84	LEU	HD21	H	0.775	0.030	2
1074	1	84	LEU	HD22	H	0.775	0.030	2
1075	1	84	LEU	HD23	H	0.775	0.030	2
1076	1	84	LEU	C	C	180.754	0.300	1
1077	1	84	LEU	CA	C	57.807	0.300	1
1078	1	84	LEU	CB	C	42.076	0.300	1
1079	1	84	LEU	CG	C	26.503	0.300	1
1080	1	84	LEU	CD1	C	22.548	0.300	2
1081	1	84	LEU	CD2	C	26.353	0.300	2
1082	1	84	LEU	N	N	119.095	0.300	1
1083	1	85	ARG	H	H	8.683	0.030	1
1084	1	85	ARG	HA	H	4.027	0.030	1
1085	1	85	ARG	C	C	178.573	0.300	1
1086	1	85	ARG	CA	C	59.069	0.300	1
1087	1	85	ARG	CB	C	29.233	0.300	1
1088	1	85	ARG	CD	C	43.093	0.300	1
1089	1	85	ARG	N	N	120.249	0.300	1
1090	1	86	LYS	H	H	7.659	0.030	1
1091	1	86	LYS	HA	H	4.033	0.030	1
1092	1	86	LYS	HB2	H	2.020	0.030	1
1093	1	86	LYS	HB3	H	2.020	0.030	1
1094	1	86	LYS	HG2	H	1.596	0.030	1
1095	1	86	LYS	HG3	H	1.596	0.030	1
1096	1	86	LYS	HE2	H	3.004	0.030	2
1097	1	86	LYS	HE3	H	3.255	0.030	2
1098	1	86	LYS	C	C	178.468	0.300	1
1099	1	86	LYS	CA	C	59.202	0.300	1
1100	1	86	LYS	CB	C	32.297	0.300	1
1101	1	86	LYS	CG	C	25.089	0.300	1
1102	1	86	LYS	CE	C	43.331	0.300	1
1103	1	86	LYS	N	N	120.934	0.300	1
1104	1	87	GLU	H	H	7.929	0.030	1
1105	1	87	GLU	HA	H	4.219	0.030	1
1106	1	87	GLU	HB2	H	1.978	0.030	2
1107	1	87	GLU	HB3	H	2.231	0.030	2
1108	1	87	GLU	HG2	H	2.480	0.030	1
1109	1	87	GLU	HG3	H	2.480	0.030	1
1110	1	87	GLU	C	C	177.948	0.300	1
1111	1	87	GLU	CA	C	57.257	0.300	1
1112	1	87	GLU	CB	C	30.270	0.300	1
1113	1	87	GLU	CG	C	36.710	0.300	1
1114	1	87	GLU	N	N	116.073	0.300	1
1115	1	88	GLY	H	H	7.635	0.030	1
1116	1	88	GLY	HA2	H	3.984	0.030	1
1117	1	88	GLY	HA3	H	3.984	0.030	1
1118	1	88	GLY	C	C	174.767	0.300	1
1119	1	88	GLY	CA	C	46.601	0.300	1
1120	1	88	GLY	N	N	106.539	0.300	1
1121	1	89	GLN	H	H	8.357	0.030	1
1122	1	89	GLN	HA	H	4.396	0.030	1
1123	1	89	GLN	HB2	H	1.857	0.030	2
1124	1	89	GLN	HB3	H	2.262	0.030	2
1125	1	89	GLN	HG2	H	2.265	0.030	2
1126	1	89	GLN	HG3	H	2.351	0.030	2
1127	1	89	GLN	C	C	175.431	0.300	1
1128	1	89	GLN	CA	C	56.427	0.300	1
1129	1	89	GLN	CB	C	30.368	0.300	1
1130	1	89	GLN	CG	C	33.864	0.300	1
1131	1	89	GLN	N	N	117.834	0.300	1
1132	1	90	ILE	H	H	7.744	0.030	1
1133	1	90	ILE	HA	H	4.311	0.030	1
1134	1	90	ILE	HB	H	1.795	0.030	1
1135	1	90	ILE	HG12	H	1.188	0.030	2
1136	1	90	ILE	HG13	H	1.437	0.030	2
1137	1	90	ILE	HG21	H	0.768	0.030	1
1138	1	90	ILE	HG22	H	0.768	0.030	1
1139	1	90	ILE	HG23	H	0.768	0.030	1
1140	1	90	ILE	HD11	H	0.827	0.030	1
1141	1	90	ILE	HD12	H	0.827	0.030	1
1142	1	90	ILE	HD13	H	0.827	0.030	1
1143	1	90	ILE	C	C	174.201	0.300	1
1144	1	90	ILE	CA	C	59.780	0.300	1
1145	1	90	ILE	CB	C	38.981	0.300	1
1146	1	90	ILE	CG1	C	27.711	0.300	1
1147	1	90	ILE	CG2	C	17.933	0.300	1
1148	1	90	ILE	CD1	C	13.120	0.300	1
1149	1	90	ILE	N	N	116.408	0.300	1
1150	1	91	LYS	H	H	8.835	0.030	1
1151	1	91	LYS	HA	H	4.453	0.030	1
1152	1	91	LYS	HB2	H	1.474	0.030	2
1153	1	91	LYS	HB3	H	1.693	0.030	2
1154	1	91	LYS	HG2	H	1.276	0.030	1
1155	1	91	LYS	HG3	H	1.276	0.030	1
1156	1	91	LYS	HD2	H	1.418	0.030	1
1157	1	91	LYS	HD3	H	1.418	0.030	1
1158	1	91	LYS	HE2	H	2.883	0.030	1
1159	1	91	LYS	HE3	H	2.883	0.030	1
1160	1	91	LYS	C	C	174.421	0.300	1
1161	1	91	LYS	CA	C	56.315	0.300	1
1162	1	91	LYS	CB	C	34.529	0.300	1
1163	1	91	LYS	CG	C	25.254	0.300	1
1164	1	91	LYS	CD	C	28.800	0.300	1
1165	1	91	LYS	CE	C	42.447	0.300	1
1166	1	91	LYS	N	N	123.944	0.300	1
1167	1	92	LEU	H	H	7.426	0.030	1
1168	1	92	LEU	HA	H	5.464	0.030	1
1169	1	92	LEU	HB2	H	1.438	0.030	1
1170	1	92	LEU	HB3	H	1.438	0.030	1
1171	1	92	LEU	HG	H	1.593	0.030	1
1172	1	92	LEU	HD11	H	0.666	0.030	2
1173	1	92	LEU	HD12	H	0.666	0.030	2
1174	1	92	LEU	HD13	H	0.666	0.030	2
1175	1	92	LEU	HD21	H	0.761	0.030	2
1176	1	92	LEU	HD22	H	0.761	0.030	2
1177	1	92	LEU	HD23	H	0.761	0.030	2
1178	1	92	LEU	C	C	174.496	0.300	1
1179	1	92	LEU	CA	C	54.232	0.300	1
1180	1	92	LEU	CB	C	46.073	0.300	1
1181	1	92	LEU	CD1	C	26.259	0.300	2
1182	1	92	LEU	CD2	C	26.794	0.300	2
1183	1	92	LEU	N	N	118.240	0.300	1
1184	1	93	VAL	H	H	8.292	0.030	1
1185	1	93	VAL	HA	H	5.057	0.030	1
1186	1	93	VAL	HB	H	1.961	0.030	1
1187	1	93	VAL	HG11	H	0.837	0.030	2
1188	1	93	VAL	HG12	H	0.837	0.030	2
1189	1	93	VAL	HG13	H	0.837	0.030	2
1190	1	93	VAL	HG21	H	0.863	0.030	2
1191	1	93	VAL	HG22	H	0.863	0.030	2
1192	1	93	VAL	HG23	H	0.863	0.030	2
1193	1	93	VAL	C	C	174.157	0.300	1
1194	1	93	VAL	CA	C	59.335	0.300	1
1195	1	93	VAL	CB	C	34.967	0.300	1
1196	1	93	VAL	CG1	C	21.146	0.300	2
1197	1	93	VAL	CG2	C	22.862	0.300	2
1198	1	93	VAL	N	N	118.103	0.300	1
1199	1	94	ILE	H	H	8.844	0.030	1
1200	1	94	ILE	HA	H	5.166	0.030	1
1201	1	94	ILE	HB	H	1.668	0.030	1
1202	1	94	ILE	HG12	H	1.528	0.030	1
1203	1	94	ILE	HG13	H	1.528	0.030	1
1204	1	94	ILE	HG21	H	0.672	0.030	1
1205	1	94	ILE	HG22	H	0.672	0.030	1
1206	1	94	ILE	HG23	H	0.672	0.030	1
1207	1	94	ILE	HD11	H	0.642	0.030	1
1208	1	94	ILE	HD12	H	0.642	0.030	1
1209	1	94	ILE	HD13	H	0.642	0.030	1
1210	1	94	ILE	C	C	174.502	0.300	1
1211	1	94	ILE	CA	C	59.833	0.300	1
1212	1	94	ILE	CB	C	40.784	0.300	1
1213	1	94	ILE	CG1	C	27.833	0.300	1
1214	1	94	ILE	CG2	C	16.741	0.300	1
1215	1	94	ILE	CD1	C	13.827	0.300	1
1216	1	94	ILE	N	N	123.818	0.300	1
1217	1	95	ILE	H	H	9.335	0.030	1
1218	1	95	ILE	HA	H	4.941	0.030	1
1219	1	95	ILE	HB	H	1.805	0.030	1
1220	1	95	ILE	HG12	H	0.909	0.030	2
1221	1	95	ILE	HG13	H	1.529	0.030	2
1222	1	95	ILE	HG21	H	0.862	0.030	1
1223	1	95	ILE	HG22	H	0.862	0.030	1
1224	1	95	ILE	HG23	H	0.862	0.030	1
1225	1	95	ILE	HD11	H	0.719	0.030	1
1226	1	95	ILE	HD12	H	0.719	0.030	1
1227	1	95	ILE	HD13	H	0.719	0.030	1
1228	1	95	ILE	C	C	174.247	0.300	1
1229	1	95	ILE	CA	C	59.978	0.300	1
1230	1	95	ILE	CB	C	41.403	0.300	1
1231	1	95	ILE	CG1	C	28.155	0.300	1
1232	1	95	ILE	CG2	C	17.785	0.300	1
1233	1	95	ILE	CD1	C	15.355	0.300	1
1234	1	95	ILE	N	N	127.354	0.300	1
1235	1	96	GLU	H	H	8.835	0.030	1
1236	1	96	GLU	HA	H	4.602	0.030	1
1237	1	96	GLU	HB2	H	1.950	0.030	2
1238	1	96	GLU	HB3	H	2.372	0.030	2
1239	1	96	GLU	HG2	H	2.319	0.030	1
1240	1	96	GLU	HG3	H	2.319	0.030	1
1241	1	96	GLU	C	C	175.767	0.300	1
1242	1	96	GLU	CA	C	55.591	0.300	1
1243	1	96	GLU	CB	C	31.914	0.300	1
1244	1	96	GLU	N	N	127.356	0.300	1
1245	1	97	GLY	H	H	8.539	0.030	1
1246	1	97	GLY	HA2	H	3.752	0.030	2
1247	1	97	GLY	HA3	H	4.164	0.030	2
1248	1	97	GLY	C	C	173.995	0.300	1
1249	1	97	GLY	CA	C	46.067	0.300	1
1250	1	97	GLY	N	N	114.324	0.300	1
1251	1	98	SER	H	H	8.252	0.030	1
1252	1	98	SER	HA	H	4.456	0.030	1
1253	1	98	SER	HB2	H	3.840	0.030	2
1254	1	98	SER	HB3	H	3.867	0.030	2
1255	1	98	SER	C	C	174.491	0.300	1
1256	1	98	SER	CA	C	58.181	0.300	1
1257	1	98	SER	CB	C	64.100	0.300	1
1258	1	98	SER	N	N	115.241	0.300	1
1259	1	99	LEU	H	H	8.450	0.030	1
1260	1	99	LEU	HA	H	4.308	0.030	1
1261	1	99	LEU	HB2	H	1.576	0.030	1
1262	1	99	LEU	HB3	H	1.576	0.030	1
1263	1	99	LEU	HD11	H	0.818	0.030	2
1264	1	99	LEU	HD12	H	0.818	0.030	2
1265	1	99	LEU	HD13	H	0.818	0.030	2
1266	1	99	LEU	HD21	H	0.871	0.030	2
1267	1	99	LEU	HD22	H	0.871	0.030	2
1268	1	99	LEU	HD23	H	0.871	0.030	2
1269	1	99	LEU	C	C	177.319	0.300	1
1270	1	99	LEU	CA	C	55.448	0.300	1
1271	1	99	LEU	CB	C	42.213	0.300	1
1272	1	99	LEU	CD1	C	23.632	0.300	2
1273	1	99	LEU	CD2	C	25.019	0.300	2
1274	1	99	LEU	N	N	124.210	0.300	1
1275	1	100	GLU	H	H	8.236	0.030	1
1276	1	100	GLU	HA	H	4.178	0.030	1
1277	1	100	GLU	HB2	H	1.859	0.030	1
1278	1	100	GLU	HB3	H	1.859	0.030	1
1279	1	100	GLU	HG2	H	2.152	0.030	1
1280	1	100	GLU	HG3	H	2.152	0.030	1
1281	1	100	GLU	C	C	175.824	0.300	1
1282	1	100	GLU	CA	C	56.447	0.300	1
1283	1	100	GLU	CB	C	30.397	0.300	1
1284	1	100	GLU	CG	C	36.120	0.300	1
1285	1	100	GLU	N	N	120.547	0.300	1
1286	1	101	HIS	H	H	8.104	0.030	1
1287	1	101	HIS	N	N	122.279	0.300	1

Release date

2020-05-06

Citation

Exploration of novel αβ-protein folds through de novo design
Minami, S., Kobayashi, T., Sugiki, T., Nagashima, T., Fujiwara, T., Koga, R., Chikenji, G., Koga, N.
Nat. Struct. Mol. Biol. (2023), 30, 1132-1140, PubMed 37400653 , DOI 10.1038/s41594-023-01029-0 , Abstract

Related entities 1. NF6, : 1 : 29 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0, Details 0.7 mM [U-100% 13C; U-100% 15N] NF6, 7.4 mM potassium phosphate, 1.1 mM sodium phosphate, 50 mM sodium chloride, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	NF6	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	potassium phosphate	natural abundance		7.4 mM
3	sodium chloride	natural abundance	salt	50 mM
4	sodium phosphate	natural abundance	buffer	1.1 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NF6	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	potassium phosphate	natural abundance		7.4 mM
3	sodium chloride	natural abundance	salt	50 mM
4	sodium phosphate	natural abundance	buffer	1.1 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %

3 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NF6	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	potassium phosphate	natural abundance		7.4 mM
3	sodium chloride	natural abundance	salt	50 mM
4	sodium phosphate	natural abundance	buffer	1.1 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %

4 3D BEST-HNCO

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NF6	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	potassium phosphate	natural abundance		7.4 mM
3	sodium chloride	natural abundance	salt	50 mM
4	sodium phosphate	natural abundance	buffer	1.1 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %

5 3D BEST-HNCACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NF6	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	potassium phosphate	natural abundance		7.4 mM
3	sodium chloride	natural abundance	salt	50 mM
4	sodium phosphate	natural abundance	buffer	1.1 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %

6 3D BEST-HN(CO)CACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NF6	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	potassium phosphate	natural abundance		7.4 mM
3	sodium chloride	natural abundance	salt	50 mM
4	sodium phosphate	natural abundance	buffer	1.1 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %

7 3D HCCH-TOCSY aliphatic

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NF6	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	potassium phosphate	natural abundance		7.4 mM
3	sodium chloride	natural abundance	salt	50 mM
4	sodium phosphate	natural abundance	buffer	1.1 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %

8 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NF6	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	potassium phosphate	natural abundance		7.4 mM
3	sodium chloride	natural abundance	salt	50 mM
4	sodium phosphate	natural abundance	buffer	1.1 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %

9 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NF6	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	potassium phosphate	natural abundance		7.4 mM
3	sodium chloride	natural abundance	salt	50 mM
4	sodium phosphate	natural abundance	buffer	1.1 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %

10 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NF6	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	potassium phosphate	natural abundance		7.4 mM
3	sodium chloride	natural abundance	salt	50 mM
4	sodium phosphate	natural abundance	buffer	1.1 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %

11 2D 1H-15N HSQC IPAP

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NF6	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	potassium phosphate	natural abundance		7.4 mM
3	sodium chloride	natural abundance	salt	50 mM
4	sodium phosphate	natural abundance	buffer	1.1 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %

12 2D 1H-15N HSQC IPAP

Instrument

Bruker AVANCE III - 900 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] NF6, 7.4 mM potassium phosphate, 1.1 mM sodium phosphate, 50 mM sodium chloride, 8 mg/mL Pf1 phage, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
7	NF6	[U-100% 13C; U-100% 15N]	protein	0.2 mM
8	Pf1 phage	natural abundance		8 mg/mL
9	potassium phosphate	natural abundance		7.4 mM
10	sodium chloride	natural abundance	salt	50 mM
11	sodium phosphate	natural abundance	buffer	1.1 mM
12	H2O	natural abundance	solvent	95 %
13	D2O	[U-2H]	solvent	5 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr36331_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: bmr36331_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1287		95.3 (chain: 1, length: 106)
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: 106, Sequence coverage: 95.3%
- Total number of assignments
  - ¹H chemical shifts: 738
  - ¹³C chemical shifts: 448
  - ¹⁵N chemical shifts: 101
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
46	TYR	HH	8.551

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	692	604	87.3
¹³C chemical shifts	503	448	89.1
¹⁵N chemical shifts	118	101	85.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	218	201	92.2
¹³C chemical shifts	212	194	91.5
¹⁵N chemical shifts	105	98	93.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	474	403	85.0
¹³C chemical shifts	291	254	87.3
¹⁵N chemical shifts	13	3	23.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	66	66	100.0
¹³C chemical shifts	66	65	98.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	25	13	52.0
¹³C chemical shifts	25	13	52.0

Keywords DE NOVO PROTEIN, de novo designed protein

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Found 1 Document (0.472 seconds)

BMRB: 36331

Related entities 1. NF6, : 1 : 29 entities Detail

Experiments performed 12 experiments Detail

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Chemical shift validation 3 contents Detail