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BMRB: 36332

7BQC

Solution NMR structure of NF4; de novo designed protein with a novel fold

Authors

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

Assembly

NF4

Entity

1. NF4 (polymer, Thiol state: not present), 125 monomers, 14808.70 Da Detail

GSEEIRELVR KIYETVRKEN PNVKILIFII FTSDGTIKVI IVIIADDPND AKRIVKKIQE RFPKLTIKQS RNEEEAEKRI QKELEERNPN AEIQVVRSED ELKEILDKLD EKKGSWSLEH HHHHH

Formula weight

14808.7 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 835, ¹³C: 540, ¹⁵N: 123 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	GLY	HA2	H	3.930	0.030	1
2	1	1	GLY	HA3	H	3.930	0.030	1
3	1	1	GLY	CA	C	45.502	0.300	1
4	1	2	SER	H	H	7.976	0.030	1
5	1	2	SER	HA	H	4.258	0.030	1
6	1	2	SER	HB2	H	3.948	0.030	2
7	1	2	SER	HB3	H	4.057	0.030	2
8	1	2	SER	C	C	176.514	0.300	1
9	1	2	SER	CA	C	60.953	0.300	1
10	1	2	SER	CB	C	62.978	0.300	1
11	1	2	SER	N	N	115.239	0.300	1
12	1	3	GLU	H	H	8.712	0.030	1
13	1	3	GLU	HA	H	4.086	0.030	1
14	1	3	GLU	HB2	H	2.074	0.030	1
15	1	3	GLU	HB3	H	2.074	0.030	1
16	1	3	GLU	HG2	H	2.340	0.030	1
17	1	3	GLU	HG3	H	2.340	0.030	1
18	1	3	GLU	C	C	178.787	0.300	1
19	1	3	GLU	CA	C	59.577	0.300	1
20	1	3	GLU	CB	C	29.276	0.300	1
21	1	3	GLU	CG	C	36.441	0.300	1
22	1	3	GLU	N	N	121.530	0.300	1
23	1	4	GLU	H	H	7.996	0.030	1
24	1	4	GLU	HA	H	4.125	0.030	1
25	1	4	GLU	HB2	H	2.076	0.030	2
26	1	4	GLU	HB3	H	2.228	0.030	2
27	1	4	GLU	HG2	H	2.367	0.030	1
28	1	4	GLU	HG3	H	2.367	0.030	1
29	1	4	GLU	C	C	179.488	0.300	1
30	1	4	GLU	CA	C	59.546	0.300	1
31	1	4	GLU	CB	C	29.592	0.300	1
32	1	4	GLU	CG	C	37.139	0.300	1
33	1	4	GLU	N	N	119.621	0.300	1
34	1	5	ILE	H	H	8.023	0.030	1
35	1	5	ILE	HA	H	3.656	0.030	1
36	1	5	ILE	HB	H	1.883	0.030	1
37	1	5	ILE	HG12	H	0.963	0.030	2
38	1	5	ILE	HG13	H	1.631	0.030	2
39	1	5	ILE	HG21	H	0.791	0.030	1
40	1	5	ILE	HG22	H	0.791	0.030	1
41	1	5	ILE	HG23	H	0.791	0.030	1
42	1	5	ILE	HD11	H	0.664	0.030	1
43	1	5	ILE	HD12	H	0.664	0.030	1
44	1	5	ILE	HD13	H	0.664	0.030	1
45	1	5	ILE	C	C	176.988	0.300	1
46	1	5	ILE	CA	C	64.572	0.300	1
47	1	5	ILE	CB	C	37.255	0.300	1
48	1	5	ILE	CG1	C	29.097	0.300	1
49	1	5	ILE	CG2	C	18.070	0.300	1
50	1	5	ILE	CD1	C	13.108	0.300	1
51	1	5	ILE	N	N	119.692	0.300	1
52	1	6	ARG	H	H	8.178	0.030	1
53	1	6	ARG	HA	H	3.698	0.030	1
54	1	6	ARG	HB2	H	1.871	0.030	1
55	1	6	ARG	HB3	H	1.871	0.030	1
56	1	6	ARG	HG2	H	1.676	0.030	1
57	1	6	ARG	HG3	H	1.676	0.030	1
58	1	6	ARG	HD2	H	2.983	0.030	1
59	1	6	ARG	HD3	H	2.983	0.030	1
60	1	6	ARG	C	C	178.799	0.300	1
61	1	6	ARG	CA	C	60.463	0.300	1
62	1	6	ARG	CB	C	30.051	0.300	1
63	1	6	ARG	CG	C	27.057	0.300	1
64	1	6	ARG	CD	C	37.707	0.300	1
65	1	6	ARG	N	N	119.292	0.300	1
66	1	7	GLU	H	H	7.801	0.030	1
67	1	7	GLU	HA	H	4.177	0.030	1
68	1	7	GLU	HB2	H	2.016	0.030	1
69	1	7	GLU	HB3	H	2.016	0.030	1
70	1	7	GLU	HG2	H	2.320	0.030	1
71	1	7	GLU	HG3	H	2.320	0.030	1
72	1	7	GLU	C	C	177.876	0.300	1
73	1	7	GLU	CA	C	58.634	0.300	1
74	1	7	GLU	CB	C	29.757	0.300	1
75	1	7	GLU	CG	C	36.141	0.300	1
76	1	7	GLU	N	N	118.029	0.300	1
77	1	8	LEU	H	H	7.967	0.030	1
78	1	8	LEU	HA	H	3.979	0.030	1
79	1	8	LEU	HB2	H	1.699	0.030	1
80	1	8	LEU	HB3	H	1.699	0.030	1
81	1	8	LEU	HD11	H	0.580	0.030	2
82	1	8	LEU	HD12	H	0.580	0.030	2
83	1	8	LEU	HD13	H	0.580	0.030	2
84	1	8	LEU	HD21	H	0.722	0.030	2
85	1	8	LEU	HD22	H	0.722	0.030	2
86	1	8	LEU	HD23	H	0.722	0.030	2
87	1	8	LEU	C	C	178.289	0.300	1
88	1	8	LEU	CA	C	58.535	0.300	1
89	1	8	LEU	CB	C	42.176	0.300	1
90	1	8	LEU	CG	C	24.462	0.300	1
91	1	8	LEU	CD1	C	24.411	0.300	2
92	1	8	LEU	CD2	C	24.411	0.300	2
93	1	8	LEU	N	N	121.009	0.300	1
94	1	9	VAL	H	H	8.323	0.030	1
95	1	9	VAL	HA	H	3.278	0.030	1
96	1	9	VAL	HB	H	2.024	0.030	1
97	1	9	VAL	HG11	H	0.865	0.030	2
98	1	9	VAL	HG12	H	0.865	0.030	2
99	1	9	VAL	HG13	H	0.865	0.030	2
100	1	9	VAL	HG21	H	0.888	0.030	2
101	1	9	VAL	HG22	H	0.888	0.030	2
102	1	9	VAL	HG23	H	0.888	0.030	2
103	1	9	VAL	C	C	177.275	0.300	1
104	1	9	VAL	CA	C	67.350	0.300	1
105	1	9	VAL	CB	C	31.056	0.300	1
106	1	9	VAL	CG1	C	22.675	0.300	2
107	1	9	VAL	CG2	C	23.141	0.300	2
108	1	9	VAL	N	N	116.959	0.300	1
109	1	10	ARG	H	H	7.959	0.030	1
110	1	10	ARG	HA	H	4.097	0.030	1
111	1	10	ARG	HB2	H	2.001	0.030	1
112	1	10	ARG	HB3	H	2.001	0.030	1
113	1	10	ARG	HG2	H	1.601	0.030	1
114	1	10	ARG	HG3	H	1.601	0.030	1
115	1	10	ARG	HD2	H	3.286	0.030	2
116	1	10	ARG	HD3	H	3.308	0.030	2
117	1	10	ARG	C	C	179.480	0.300	1
118	1	10	ARG	CA	C	60.149	0.300	1
119	1	10	ARG	CB	C	29.904	0.300	1
120	1	10	ARG	CG	C	27.159	0.300	1
121	1	10	ARG	CD	C	43.516	0.300	1
122	1	10	ARG	N	N	120.157	0.300	1
123	1	11	LYS	H	H	8.056	0.030	1
124	1	11	LYS	HA	H	4.180	0.030	1
125	1	11	LYS	HB2	H	2.038	0.030	2
126	1	11	LYS	HB3	H	2.226	0.030	2
127	1	11	LYS	HG2	H	1.606	0.030	2
128	1	11	LYS	HG3	H	1.807	0.030	2
129	1	11	LYS	HD2	H	1.805	0.030	1
130	1	11	LYS	HD3	H	1.805	0.030	1
131	1	11	LYS	HE2	H	3.006	0.030	1
132	1	11	LYS	HE3	H	3.006	0.030	1
133	1	11	LYS	C	C	180.376	0.300	1
134	1	11	LYS	CA	C	59.295	0.300	1
135	1	11	LYS	CB	C	32.777	0.300	1
136	1	11	LYS	CG	C	26.097	0.300	1
137	1	11	LYS	CD	C	29.407	0.300	1
138	1	11	LYS	CE	C	42.265	0.300	1
139	1	11	LYS	N	N	118.240	0.300	1
140	1	12	ILE	H	H	8.475	0.030	1
141	1	12	ILE	HA	H	3.496	0.030	1
142	1	12	ILE	HB	H	1.827	0.030	1
143	1	12	ILE	HG12	H	0.493	0.030	2
144	1	12	ILE	HG13	H	1.362	0.030	2
145	1	12	ILE	HG21	H	0.518	0.030	1
146	1	12	ILE	HG22	H	0.518	0.030	1
147	1	12	ILE	HG23	H	0.518	0.030	1
148	1	12	ILE	HD11	H	0.325	0.030	1
149	1	12	ILE	HD12	H	0.325	0.030	1
150	1	12	ILE	HD13	H	0.325	0.030	1
151	1	12	ILE	C	C	177.574	0.300	1
152	1	12	ILE	CA	C	66.087	0.300	1
153	1	12	ILE	CB	C	37.225	0.300	1
154	1	12	ILE	CG1	C	28.764	0.300	1
155	1	12	ILE	CG2	C	16.678	0.300	1
156	1	12	ILE	CD1	C	13.461	0.300	1
157	1	12	ILE	N	N	124.051	0.300	1
158	1	13	TYR	H	H	8.476	0.030	1
159	1	13	TYR	HA	H	3.948	0.030	1
160	1	13	TYR	HB2	H	3.014	0.030	1
161	1	13	TYR	HB3	H	3.014	0.030	1
162	1	13	TYR	HD1	H	7.076	0.030	1
163	1	13	TYR	HD2	H	7.076	0.030	1
164	1	13	TYR	HE1	H	6.527	0.030	1
165	1	13	TYR	HE2	H	6.527	0.030	1
166	1	13	TYR	C	C	179.023	0.300	1
167	1	13	TYR	CA	C	63.131	0.300	1
168	1	13	TYR	CB	C	37.947	0.300	1
169	1	13	TYR	CD1	C	132.491	0.300	1
170	1	13	TYR	CD2	C	132.491	0.300	1
171	1	13	TYR	CE1	C	117.688	0.300	1
172	1	13	TYR	CE2	C	117.688	0.300	1
173	1	13	TYR	N	N	119.153	0.300	1
174	1	14	GLU	H	H	8.303	0.030	1
175	1	14	GLU	HA	H	4.027	0.030	1
176	1	14	GLU	HB2	H	2.207	0.030	1
177	1	14	GLU	HB3	H	2.207	0.030	1
178	1	14	GLU	HG2	H	2.553	0.030	1
179	1	14	GLU	HG3	H	2.553	0.030	1
180	1	14	GLU	C	C	178.766	0.300	1
181	1	14	GLU	CA	C	59.609	0.300	1
182	1	14	GLU	CB	C	29.982	0.300	1
183	1	14	GLU	CG	C	34.737	0.300	1
184	1	14	GLU	N	N	118.138	0.300	1
185	1	15	THR	H	H	8.046	0.030	1
186	1	15	THR	HA	H	4.404	0.030	1
187	1	15	THR	HB	H	3.948	0.030	1
188	1	15	THR	HG21	H	1.195	0.030	1
189	1	15	THR	HG22	H	1.195	0.030	1
190	1	15	THR	HG23	H	1.195	0.030	1
191	1	15	THR	C	C	176.338	0.300	1
192	1	15	THR	CA	C	69.262	0.300	1
193	1	15	THR	CB	C	67.133	0.300	1
194	1	15	THR	CG2	C	21.126	0.300	1
195	1	15	THR	N	N	115.642	0.300	1
196	1	16	VAL	H	H	8.201	0.030	1
197	1	16	VAL	HA	H	3.538	0.030	1
198	1	16	VAL	HB	H	2.046	0.030	1
199	1	16	VAL	HG11	H	0.870	0.030	2
200	1	16	VAL	HG12	H	0.870	0.030	2
201	1	16	VAL	HG13	H	0.870	0.030	2
202	1	16	VAL	HG21	H	0.890	0.030	2
203	1	16	VAL	HG22	H	0.890	0.030	2
204	1	16	VAL	HG23	H	0.890	0.030	2
205	1	16	VAL	C	C	177.079	0.300	1
206	1	16	VAL	CA	C	66.905	0.300	1
207	1	16	VAL	CB	C	31.788	0.300	1
208	1	16	VAL	CG1	C	21.793	0.300	2
209	1	16	VAL	CG2	C	23.064	0.300	2
210	1	16	VAL	N	N	119.617	0.300	1
211	1	17	ARG	H	H	8.201	0.030	1
212	1	17	ARG	HA	H	3.898	0.030	1
213	1	17	ARG	HB2	H	1.851	0.030	1
214	1	17	ARG	HB3	H	1.851	0.030	1
215	1	17	ARG	HG2	H	1.721	0.030	1
216	1	17	ARG	HG3	H	1.721	0.030	1
217	1	17	ARG	HD2	H	1.951	0.030	1
218	1	17	ARG	HD3	H	1.951	0.030	1
219	1	17	ARG	C	C	177.813	0.300	1
220	1	17	ARG	CA	C	59.683	0.300	1
221	1	17	ARG	CB	C	30.218	0.300	1
222	1	17	ARG	CG	C	28.456	0.300	1
223	1	17	ARG	CD	C	44.225	0.300	1
224	1	17	ARG	N	N	118.124	0.300	1
225	1	18	LYS	H	H	7.430	0.030	1
226	1	18	LYS	HA	H	3.738	0.030	1
227	1	18	LYS	HB2	H	1.930	0.030	1
228	1	18	LYS	HB3	H	1.930	0.030	1
229	1	18	LYS	HG2	H	1.433	0.030	1
230	1	18	LYS	HG3	H	1.433	0.030	1
231	1	18	LYS	C	C	177.642	0.300	1
232	1	18	LYS	CA	C	58.381	0.300	1
233	1	18	LYS	CB	C	32.584	0.300	1
234	1	18	LYS	CG	C	24.963	0.300	1
235	1	18	LYS	N	N	115.638	0.300	1
236	1	19	GLU	H	H	7.569	0.030	1
237	1	19	GLU	HA	H	4.287	0.030	1
238	1	19	GLU	HB2	H	2.041	0.030	1
239	1	19	GLU	HB3	H	2.041	0.030	1
240	1	19	GLU	HG2	H	2.378	0.030	1
241	1	19	GLU	HG3	H	2.378	0.030	1
242	1	19	GLU	C	C	177.238	0.300	1
243	1	19	GLU	CA	C	57.303	0.300	1
244	1	19	GLU	CB	C	30.689	0.300	1
245	1	19	GLU	CG	C	36.291	0.300	1
246	1	19	GLU	N	N	116.660	0.300	1
247	1	20	ASN	H	H	8.367	0.030	1
248	1	20	ASN	HA	H	4.874	0.030	1
249	1	20	ASN	HB2	H	2.856	0.030	1
250	1	20	ASN	HB3	H	2.856	0.030	1
251	1	20	ASN	HD21	H	7.031	0.030	2
252	1	20	ASN	HD22	H	7.745	0.030	2
253	1	20	ASN	C	C	172.628	0.300	1
254	1	20	ASN	CA	C	51.964	0.300	1
255	1	20	ASN	CB	C	39.454	0.300	1
256	1	20	ASN	N	N	113.968	0.300	1
257	1	20	ASN	ND2	N	112.367	0.300	1
258	1	21	PRO	HA	H	4.535	0.030	1
259	1	21	PRO	HB2	H	2.090	0.030	2
260	1	21	PRO	HB3	H	2.404	0.030	2
261	1	21	PRO	HG2	H	1.923	0.030	2
262	1	21	PRO	HG3	H	2.099	0.030	2
263	1	21	PRO	HD2	H	3.648	0.030	2
264	1	21	PRO	HD3	H	3.835	0.030	2
265	1	21	PRO	C	C	176.604	0.300	1
266	1	21	PRO	CA	C	64.105	0.300	1
267	1	21	PRO	CB	C	32.238	0.300	1
268	1	21	PRO	CG	C	26.657	0.300	1
269	1	21	PRO	CD	C	50.673	0.300	1
270	1	22	ASN	H	H	8.400	0.030	1
271	1	22	ASN	HA	H	4.793	0.030	1
272	1	22	ASN	HB2	H	2.798	0.030	2
273	1	22	ASN	HB3	H	2.939	0.030	2
274	1	22	ASN	HD21	H	7.027	0.030	2
275	1	22	ASN	HD22	H	7.673	0.030	2
276	1	22	ASN	C	C	175.449	0.300	1
277	1	22	ASN	CA	C	53.600	0.300	1
278	1	22	ASN	CB	C	38.942	0.300	1
279	1	22	ASN	N	N	116.109	0.300	1
280	1	22	ASN	ND2	N	114.164	0.300	1
281	1	23	VAL	H	H	7.256	0.030	1
282	1	23	VAL	HA	H	4.272	0.030	1
283	1	23	VAL	HB	H	2.066	0.030	1
284	1	23	VAL	HG11	H	0.866	0.030	2
285	1	23	VAL	HG12	H	0.866	0.030	2
286	1	23	VAL	HG13	H	0.866	0.030	2
287	1	23	VAL	HG21	H	0.864	0.030	2
288	1	23	VAL	HG22	H	0.864	0.030	2
289	1	23	VAL	HG23	H	0.864	0.030	2
290	1	23	VAL	C	C	174.371	0.300	1
291	1	23	VAL	CA	C	62.274	0.300	1
292	1	23	VAL	CB	C	32.469	0.300	1
293	1	23	VAL	CG1	C	21.926	0.300	2
294	1	23	VAL	CG2	C	21.926	0.300	2
295	1	23	VAL	N	N	119.072	0.300	1
296	1	24	LYS	H	H	8.423	0.030	1
297	1	24	LYS	HA	H	4.668	0.030	1
298	1	24	LYS	HB2	H	1.659	0.030	2
299	1	24	LYS	HB3	H	1.806	0.030	2
300	1	24	LYS	HG2	H	1.437	0.030	1
301	1	24	LYS	HG3	H	1.437	0.030	1
302	1	24	LYS	C	C	174.340	0.300	1
303	1	24	LYS	CA	C	54.871	0.300	1
304	1	24	LYS	CB	C	34.770	0.300	1
305	1	24	LYS	CG	C	24.942	0.300	1
306	1	24	LYS	N	N	125.137	0.300	1
307	1	25	ILE	H	H	8.218	0.030	1
308	1	25	ILE	HA	H	4.942	0.030	1
309	1	25	ILE	HB	H	1.491	0.030	1
310	1	25	ILE	HG12	H	1.235	0.030	1
311	1	25	ILE	HG13	H	1.235	0.030	1
312	1	25	ILE	HG21	H	0.533	0.030	1
313	1	25	ILE	HG22	H	0.533	0.030	1
314	1	25	ILE	HG23	H	0.533	0.030	1
315	1	25	ILE	HD11	H	0.274	0.030	1
316	1	25	ILE	HD12	H	0.274	0.030	1
317	1	25	ILE	HD13	H	0.274	0.030	1
318	1	25	ILE	C	C	175.722	0.300	1
319	1	25	ILE	CA	C	59.344	0.300	1
320	1	25	ILE	CB	C	40.748	0.300	1
321	1	25	ILE	CG1	C	27.226	0.300	1
322	1	25	ILE	CG2	C	17.558	0.300	1
323	1	25	ILE	CD1	C	13.681	0.300	1
324	1	25	ILE	N	N	119.660	0.300	1
325	1	26	LEU	H	H	9.124	0.030	1
326	1	26	LEU	HA	H	4.650	0.030	1
327	1	26	LEU	HB2	H	1.210	0.030	2
328	1	26	LEU	HB3	H	1.418	0.030	2
329	1	26	LEU	HD11	H	0.711	0.030	2
330	1	26	LEU	HD12	H	0.711	0.030	2
331	1	26	LEU	HD13	H	0.711	0.030	2
332	1	26	LEU	HD21	H	0.758	0.030	2
333	1	26	LEU	HD22	H	0.758	0.030	2
334	1	26	LEU	HD23	H	0.758	0.030	2
335	1	26	LEU	C	C	174.314	0.300	1
336	1	26	LEU	CA	C	53.801	0.300	1
337	1	26	LEU	CB	C	45.977	0.300	1
338	1	26	LEU	CD1	C	25.538	0.300	2
339	1	26	LEU	CD2	C	25.170	0.300	2
340	1	26	LEU	N	N	128.680	0.300	1
341	1	27	ILE	H	H	7.980	0.030	1
342	1	27	ILE	HA	H	4.815	0.030	1
343	1	27	ILE	HB	H	1.672	0.030	1
344	1	27	ILE	HG21	H	0.636	0.030	1
345	1	27	ILE	HG22	H	0.636	0.030	1
346	1	27	ILE	HG23	H	0.636	0.030	1
347	1	27	ILE	HD11	H	0.643	0.030	1
348	1	27	ILE	HD12	H	0.643	0.030	1
349	1	27	ILE	HD13	H	0.643	0.030	1
350	1	27	ILE	C	C	174.287	0.300	1
351	1	27	ILE	CA	C	59.645	0.300	1
352	1	27	ILE	CB	C	40.346	0.300	1
353	1	27	ILE	CG2	C	17.403	0.300	1
354	1	27	ILE	CD1	C	14.698	0.300	1
355	1	27	ILE	N	N	122.085	0.300	1
356	1	28	PHE	H	H	9.214	0.030	1
357	1	28	PHE	HA	H	5.128	0.030	1
358	1	28	PHE	HB2	H	2.417	0.030	2
359	1	28	PHE	HB3	H	2.827	0.030	2
360	1	28	PHE	HD1	H	6.844	0.030	1
361	1	28	PHE	HD2	H	6.844	0.030	1
362	1	28	PHE	HE1	H	7.035	0.030	1
363	1	28	PHE	HE2	H	7.035	0.030	1
364	1	28	PHE	C	C	174.418	0.300	1
365	1	28	PHE	CA	C	56.790	0.300	1
366	1	28	PHE	CB	C	41.258	0.300	1
367	1	28	PHE	CD1	C	131.515	0.300	1
368	1	28	PHE	CD2	C	131.515	0.300	1
369	1	28	PHE	CE1	C	130.888	0.300	1
370	1	28	PHE	CE2	C	130.888	0.300	1
371	1	28	PHE	N	N	124.862	0.300	1
372	1	29	ILE	H	H	9.074	0.030	1
373	1	29	ILE	HA	H	4.662	0.030	1
374	1	29	ILE	HB	H	1.607	0.030	1
375	1	29	ILE	HG12	H	0.946	0.030	1
376	1	29	ILE	HG13	H	0.946	0.030	1
377	1	29	ILE	HG21	H	0.414	0.030	1
378	1	29	ILE	HG22	H	0.414	0.030	1
379	1	29	ILE	HG23	H	0.414	0.030	1
380	1	29	ILE	HD11	H	0.612	0.030	1
381	1	29	ILE	HD12	H	0.612	0.030	1
382	1	29	ILE	HD13	H	0.612	0.030	1
383	1	29	ILE	C	C	174.158	0.300	1
384	1	29	ILE	CA	C	59.372	0.300	1
385	1	29	ILE	CB	C	39.067	0.300	1
386	1	29	ILE	CG1	C	27.059	0.300	1
387	1	29	ILE	CG2	C	18.067	0.300	1
388	1	29	ILE	CD1	C	13.755	0.300	1
389	1	29	ILE	N	N	122.563	0.300	1
390	1	30	ILE	H	H	8.978	0.030	1
391	1	30	ILE	HA	H	4.698	0.030	1
392	1	30	ILE	HB	H	1.755	0.030	1
393	1	30	ILE	HG12	H	0.939	0.030	1
394	1	30	ILE	HG13	H	0.939	0.030	1
395	1	30	ILE	HG21	H	0.638	0.030	1
396	1	30	ILE	HG22	H	0.638	0.030	1
397	1	30	ILE	HG23	H	0.638	0.030	1
398	1	30	ILE	HD11	H	0.724	0.030	1
399	1	30	ILE	HD12	H	0.724	0.030	1
400	1	30	ILE	HD13	H	0.724	0.030	1
401	1	30	ILE	C	C	174.467	0.300	1
402	1	30	ILE	CA	C	60.042	0.300	1
403	1	30	ILE	CB	C	39.702	0.300	1
404	1	30	ILE	CG1	C	27.492	0.300	1
405	1	30	ILE	CG2	C	17.772	0.300	1
406	1	30	ILE	CD1	C	15.147	0.300	1
407	1	30	ILE	N	N	126.751	0.300	1
408	1	31	PHE	H	H	9.215	0.030	1
409	1	31	PHE	HA	H	5.240	0.030	1
410	1	31	PHE	HB2	H	3.028	0.030	1
411	1	31	PHE	HB3	H	3.028	0.030	1
412	1	31	PHE	HD1	H	6.930	0.030	1
413	1	31	PHE	HD2	H	6.930	0.030	1
414	1	31	PHE	HE1	H	6.920	0.030	1
415	1	31	PHE	HE2	H	6.920	0.030	1
416	1	31	PHE	HZ	H	6.928	0.030	1
417	1	31	PHE	C	C	176.654	0.300	1
418	1	31	PHE	CA	C	55.891	0.300	1
419	1	31	PHE	CB	C	39.682	0.300	1
420	1	31	PHE	CD1	C	132.231	0.300	1
421	1	31	PHE	CD2	C	132.231	0.300	1
422	1	31	PHE	CE1	C	130.750	0.300	1
423	1	31	PHE	CE2	C	130.750	0.300	1
424	1	31	PHE	N	N	127.016	0.300	1
425	1	32	THR	H	H	8.796	0.030	1
426	1	32	THR	HA	H	4.567	0.030	1
427	1	32	THR	HG21	H	1.173	0.030	1
428	1	32	THR	HG22	H	1.173	0.030	1
429	1	32	THR	HG23	H	1.173	0.030	1
430	1	32	THR	C	C	176.669	0.300	1
431	1	32	THR	CA	C	61.799	0.300	1
432	1	32	THR	CB	C	70.597	0.300	1
433	1	32	THR	CG2	C	21.898	0.300	1
434	1	32	THR	N	N	116.332	0.300	1
435	1	33	SER	H	H	9.120	0.030	1
436	1	33	SER	HA	H	3.898	0.030	1
437	1	33	SER	HB2	H	3.999	0.030	1
438	1	33	SER	HB3	H	3.999	0.030	1
439	1	33	SER	C	C	174.898	0.300	1
440	1	33	SER	CA	C	60.778	0.300	1
441	1	33	SER	CB	C	63.370	0.300	1
442	1	33	SER	N	N	116.381	0.300	1
443	1	34	ASP	H	H	7.835	0.030	1
444	1	34	ASP	HA	H	4.696	0.030	1
445	1	34	ASP	HB2	H	2.640	0.030	2
446	1	34	ASP	HB3	H	2.863	0.030	2
447	1	34	ASP	C	C	176.474	0.300	1
448	1	34	ASP	CA	C	53.443	0.300	1
449	1	34	ASP	CB	C	40.459	0.300	1
450	1	34	ASP	N	N	118.162	0.300	1
451	1	35	GLY	H	H	7.923	0.030	1
452	1	35	GLY	HA2	H	3.330	0.030	2
453	1	35	GLY	HA3	H	4.033	0.030	2
454	1	35	GLY	C	C	174.189	0.300	1
455	1	35	GLY	CA	C	45.784	0.300	1
456	1	35	GLY	N	N	107.931	0.300	1
457	1	36	THR	H	H	7.642	0.030	1
458	1	36	THR	HA	H	4.682	0.030	1
459	1	36	THR	HB	H	4.187	0.030	1
460	1	36	THR	HG21	H	1.083	0.030	1
461	1	36	THR	HG22	H	1.083	0.030	1
462	1	36	THR	HG23	H	1.083	0.030	1
463	1	36	THR	C	C	173.257	0.300	1
464	1	36	THR	CA	C	61.896	0.300	1
465	1	36	THR	CB	C	70.025	0.300	1
466	1	36	THR	CG2	C	21.837	0.300	1
467	1	36	THR	N	N	115.238	0.300	1
468	1	37	ILE	H	H	8.481	0.030	1
469	1	37	ILE	HA	H	5.161	0.030	1
470	1	37	ILE	HB	H	1.533	0.030	1
471	1	37	ILE	HG21	H	0.494	0.030	1
472	1	37	ILE	HG22	H	0.494	0.030	1
473	1	37	ILE	HG23	H	0.494	0.030	1
474	1	37	ILE	HD11	H	0.631	0.030	1
475	1	37	ILE	HD12	H	0.631	0.030	1
476	1	37	ILE	HD13	H	0.631	0.030	1
477	1	37	ILE	C	C	175.461	0.300	1
478	1	37	ILE	CA	C	59.961	0.300	1
479	1	37	ILE	CB	C	40.203	0.300	1
480	1	37	ILE	CG1	C	28.035	0.300	1
481	1	37	ILE	CG2	C	18.051	0.300	1
482	1	37	ILE	CD1	C	13.954	0.300	1
483	1	37	ILE	N	N	123.501	0.300	1
484	1	38	LYS	H	H	8.974	0.030	1
485	1	38	LYS	HA	H	4.817	0.030	1
486	1	38	LYS	HB2	H	1.534	0.030	2
487	1	38	LYS	HB3	H	1.770	0.030	2
488	1	38	LYS	HG2	H	1.308	0.030	1
489	1	38	LYS	HG3	H	1.308	0.030	1
490	1	38	LYS	HD2	H	1.308	0.030	1
491	1	38	LYS	HD3	H	1.308	0.030	1
492	1	38	LYS	HE2	H	2.844	0.030	1
493	1	38	LYS	HE3	H	2.844	0.030	1
494	1	38	LYS	C	C	174.552	0.300	1
495	1	38	LYS	CA	C	54.361	0.300	1
496	1	38	LYS	CB	C	35.761	0.300	1
497	1	38	LYS	CG	C	25.210	0.300	1
498	1	38	LYS	CE	C	42.038	0.300	1
499	1	38	LYS	N	N	125.780	0.300	1
500	1	39	VAL	H	H	8.331	0.030	1
501	1	39	VAL	HA	H	4.977	0.030	1
502	1	39	VAL	HB	H	1.800	0.030	1
503	1	39	VAL	HG11	H	0.710	0.030	2
504	1	39	VAL	HG12	H	0.710	0.030	2
505	1	39	VAL	HG13	H	0.710	0.030	2
506	1	39	VAL	HG21	H	0.664	0.030	2
507	1	39	VAL	HG22	H	0.664	0.030	2
508	1	39	VAL	HG23	H	0.664	0.030	2
509	1	39	VAL	C	C	174.326	0.300	1
510	1	39	VAL	CA	C	60.602	0.300	1
511	1	39	VAL	CB	C	34.439	0.300	1
512	1	39	VAL	CG1	C	21.119	0.300	2
513	1	39	VAL	CG2	C	21.263	0.300	2
514	1	39	VAL	N	N	120.133	0.300	1
515	1	40	ILE	H	H	8.946	0.030	1
516	1	40	ILE	HA	H	4.612	0.030	1
517	1	40	ILE	HB	H	1.819	0.030	1
518	1	40	ILE	HG12	H	1.189	0.030	2
519	1	40	ILE	HG13	H	1.359	0.030	2
520	1	40	ILE	HG21	H	0.640	0.030	1
521	1	40	ILE	HG22	H	0.640	0.030	1
522	1	40	ILE	HG23	H	0.640	0.030	1
523	1	40	ILE	HD11	H	0.717	0.030	1
524	1	40	ILE	HD12	H	0.717	0.030	1
525	1	40	ILE	HD13	H	0.717	0.030	1
526	1	40	ILE	C	C	174.492	0.300	1
527	1	40	ILE	CA	C	59.813	0.300	1
528	1	40	ILE	CB	C	40.836	0.300	1
529	1	40	ILE	CG1	C	28.410	0.300	1
530	1	40	ILE	CG2	C	17.519	0.300	1
531	1	40	ILE	CD1	C	13.456	0.300	1
532	1	40	ILE	N	N	126.272	0.300	1
533	1	41	ILE	H	H	8.347	0.030	1
534	1	41	ILE	HA	H	4.618	0.030	1
535	1	41	ILE	HB	H	1.943	0.030	1
536	1	41	ILE	HG21	H	0.722	0.030	1
537	1	41	ILE	HG22	H	0.722	0.030	1
538	1	41	ILE	HG23	H	0.722	0.030	1
539	1	41	ILE	HD11	H	0.619	0.030	1
540	1	41	ILE	HD12	H	0.619	0.030	1
541	1	41	ILE	HD13	H	0.619	0.030	1
542	1	41	ILE	C	C	173.798	0.300	1
543	1	41	ILE	CA	C	59.272	0.300	1
544	1	41	ILE	CB	C	38.664	0.300	1
545	1	41	ILE	CG1	C	28.037	0.300	1
546	1	41	ILE	CG2	C	17.930	0.300	1
547	1	41	ILE	CD1	C	13.068	0.300	1
548	1	41	ILE	N	N	125.943	0.300	1
549	1	42	VAL	H	H	9.241	0.030	1
550	1	42	VAL	HA	H	4.654	0.030	1
551	1	42	VAL	HB	H	2.071	0.030	1
552	1	42	VAL	HG11	H	0.651	0.030	2
553	1	42	VAL	HG12	H	0.651	0.030	2
554	1	42	VAL	HG13	H	0.651	0.030	2
555	1	42	VAL	HG21	H	0.845	0.030	2
556	1	42	VAL	HG22	H	0.845	0.030	2
557	1	42	VAL	HG23	H	0.845	0.030	2
558	1	42	VAL	C	C	174.139	0.300	1
559	1	42	VAL	CA	C	60.433	0.300	1
560	1	42	VAL	CB	C	33.639	0.300	1
561	1	42	VAL	CG1	C	21.454	0.300	2
562	1	42	VAL	CG2	C	21.971	0.300	2
563	1	42	VAL	N	N	126.339	0.300	1
564	1	43	ILE	H	H	8.695	0.030	1
565	1	43	ILE	HA	H	4.478	0.030	1
566	1	43	ILE	HB	H	1.835	0.030	1
567	1	43	ILE	HG12	H	1.211	0.030	1
568	1	43	ILE	HG13	H	1.211	0.030	1
569	1	43	ILE	HG21	H	0.769	0.030	1
570	1	43	ILE	HG22	H	0.769	0.030	1
571	1	43	ILE	HG23	H	0.769	0.030	1
572	1	43	ILE	HD11	H	0.594	0.030	1
573	1	43	ILE	HD12	H	0.594	0.030	1
574	1	43	ILE	HD13	H	0.594	0.030	1
575	1	43	ILE	C	C	174.558	0.300	1
576	1	43	ILE	CA	C	58.526	0.300	1
577	1	43	ILE	CB	C	37.621	0.300	1
578	1	43	ILE	CG1	C	27.251	0.300	1
579	1	43	ILE	CG2	C	17.516	0.300	1
580	1	43	ILE	CD1	C	11.713	0.300	1
581	1	43	ILE	N	N	126.922	0.300	1
582	1	44	ILE	H	H	8.818	0.030	1
583	1	44	ILE	HA	H	4.809	0.030	1
584	1	44	ILE	HB	H	1.731	0.030	1
585	1	44	ILE	HG21	H	0.631	0.030	1
586	1	44	ILE	HG22	H	0.631	0.030	1
587	1	44	ILE	HG23	H	0.631	0.030	1
588	1	44	ILE	HD11	H	0.550	0.030	1
589	1	44	ILE	HD12	H	0.550	0.030	1
590	1	44	ILE	HD13	H	0.550	0.030	1
591	1	44	ILE	C	C	174.793	0.300	1
592	1	44	ILE	CA	C	59.434	0.300	1
593	1	44	ILE	CB	C	38.130	0.300	1
594	1	44	ILE	CG1	C	27.097	0.300	1
595	1	44	ILE	CG2	C	17.306	0.300	1
596	1	44	ILE	CD1	C	13.442	0.300	1
597	1	44	ILE	N	N	127.865	0.300	1
598	1	45	ALA	H	H	8.176	0.030	1
599	1	45	ALA	HA	H	4.793	0.030	1
600	1	45	ALA	HB1	H	1.357	0.030	1
601	1	45	ALA	HB2	H	1.357	0.030	1
602	1	45	ALA	HB3	H	1.357	0.030	1
603	1	45	ALA	C	C	175.873	0.300	1
604	1	45	ALA	CA	C	50.829	0.300	1
605	1	45	ALA	CB	C	22.998	0.300	1
606	1	45	ALA	N	N	127.842	0.300	1
607	1	46	ASP	H	H	8.614	0.030	1
608	1	46	ASP	HA	H	4.547	0.030	1
609	1	46	ASP	HB2	H	2.690	0.030	1
610	1	46	ASP	HB3	H	2.690	0.030	1
611	1	46	ASP	C	C	175.858	0.300	1
612	1	46	ASP	CA	C	56.689	0.300	1
613	1	46	ASP	CB	C	41.531	0.300	1
614	1	46	ASP	N	N	121.615	0.300	1
615	1	47	ASP	H	H	8.119	0.030	1
616	1	47	ASP	HA	H	5.147	0.030	1
617	1	47	ASP	HB2	H	2.555	0.030	1
618	1	47	ASP	HB3	H	2.555	0.030	1
619	1	47	ASP	C	C	175.550	0.300	1
620	1	47	ASP	CA	C	50.249	0.300	1
621	1	47	ASP	CB	C	42.409	0.300	1
622	1	47	ASP	N	N	118.241	0.300	1
623	1	48	PRO	HA	H	4.335	0.030	1
624	1	48	PRO	HB2	H	1.969	0.030	2
625	1	48	PRO	HB3	H	2.349	0.030	2
626	1	48	PRO	HG2	H	2.049	0.030	1
627	1	48	PRO	HG3	H	2.049	0.030	1
628	1	48	PRO	HD2	H	4.011	0.030	1
629	1	48	PRO	HD3	H	4.011	0.030	1
630	1	48	PRO	C	C	179.155	0.300	1
631	1	48	PRO	CA	C	64.469	0.300	1
632	1	48	PRO	CB	C	32.341	0.300	1
633	1	48	PRO	CG	C	27.236	0.300	1
634	1	48	PRO	CD	C	51.360	0.300	1
635	1	49	ASN	H	H	8.600	0.030	1
636	1	49	ASN	HA	H	4.469	0.030	1
637	1	49	ASN	HB2	H	2.699	0.030	2
638	1	49	ASN	HB3	H	2.920	0.030	2
639	1	49	ASN	HD21	H	8.599	0.030	1
640	1	49	ASN	HD22	H	8.599	0.030	1
641	1	49	ASN	C	C	178.234	0.300	1
642	1	49	ASN	CA	C	56.396	0.300	1
643	1	49	ASN	CB	C	38.100	0.300	1
644	1	49	ASN	N	N	117.135	0.300	1
645	1	49	ASN	ND2	N	117.134	0.300	1
646	1	50	ASP	H	H	7.892	0.030	1
647	1	50	ASP	HA	H	4.485	0.030	1
648	1	50	ASP	HB2	H	2.448	0.030	2
649	1	50	ASP	HB3	H	2.853	0.030	2
650	1	50	ASP	C	C	178.277	0.300	1
651	1	50	ASP	CA	C	57.007	0.300	1
652	1	50	ASP	CB	C	40.603	0.300	1
653	1	50	ASP	N	N	121.222	0.300	1
654	1	51	ALA	H	H	7.420	0.030	1
655	1	51	ALA	HA	H	3.845	0.030	1
656	1	51	ALA	HB1	H	1.376	0.030	1
657	1	51	ALA	HB2	H	1.376	0.030	1
658	1	51	ALA	HB3	H	1.376	0.030	1
659	1	51	ALA	C	C	178.294	0.300	1
660	1	51	ALA	CA	C	54.998	0.300	1
661	1	51	ALA	CB	C	18.823	0.300	1
662	1	51	ALA	N	N	119.281	0.300	1
663	1	52	LYS	H	H	7.883	0.030	1
664	1	52	LYS	HA	H	3.834	0.030	1
665	1	52	LYS	HB2	H	1.907	0.030	2
666	1	52	LYS	HB3	H	1.931	0.030	2
667	1	52	LYS	HG2	H	1.555	0.030	1
668	1	52	LYS	HG3	H	1.555	0.030	1
669	1	52	LYS	C	C	178.784	0.300	1
670	1	52	LYS	CA	C	60.117	0.300	1
671	1	52	LYS	CB	C	32.457	0.300	1
672	1	52	LYS	CG	C	25.242	0.300	1
673	1	52	LYS	CD	C	25.854	0.300	1
674	1	52	LYS	CE	C	41.937	0.300	1
675	1	52	LYS	N	N	116.698	0.300	1
676	1	53	ARG	H	H	7.554	0.030	1
677	1	53	ARG	HA	H	4.063	0.030	1
678	1	53	ARG	HB2	H	1.967	0.030	1
679	1	53	ARG	HB3	H	1.967	0.030	1
680	1	53	ARG	HG2	H	1.569	0.030	2
681	1	53	ARG	HG3	H	1.807	0.030	2
682	1	53	ARG	HD2	H	3.289	0.030	1
683	1	53	ARG	HD3	H	3.289	0.030	1
684	1	53	ARG	C	C	178.784	0.300	1
685	1	53	ARG	CA	C	59.466	0.300	1
686	1	53	ARG	CB	C	30.349	0.300	1
687	1	53	ARG	CG	C	28.008	0.300	1
688	1	53	ARG	CD	C	43.495	0.300	1
689	1	53	ARG	N	N	118.327	0.300	1
690	1	54	ILE	H	H	7.743	0.030	1
691	1	54	ILE	HA	H	3.681	0.030	1
692	1	54	ILE	HB	H	1.954	0.030	1
693	1	54	ILE	HG12	H	1.161	0.030	2
694	1	54	ILE	HG13	H	1.722	0.030	2
695	1	54	ILE	HG21	H	0.880	0.030	1
696	1	54	ILE	HG22	H	0.880	0.030	1
697	1	54	ILE	HG23	H	0.880	0.030	1
698	1	54	ILE	HD11	H	0.854	0.030	1
699	1	54	ILE	HD12	H	0.854	0.030	1
700	1	54	ILE	HD13	H	0.854	0.030	1
701	1	54	ILE	C	C	177.260	0.300	1
702	1	54	ILE	CA	C	64.267	0.300	1
703	1	54	ILE	CB	C	37.687	0.300	1
704	1	54	ILE	CG1	C	29.429	0.300	1
705	1	54	ILE	CG2	C	18.881	0.300	1
706	1	54	ILE	CD1	C	13.853	0.300	1
707	1	54	ILE	N	N	119.676	0.300	1
708	1	55	VAL	H	H	8.549	0.030	1
709	1	55	VAL	HA	H	3.318	0.030	1
710	1	55	VAL	HB	H	2.098	0.030	1
711	1	55	VAL	HG11	H	0.823	0.030	2
712	1	55	VAL	HG12	H	0.823	0.030	2
713	1	55	VAL	HG13	H	0.823	0.030	2
714	1	55	VAL	HG21	H	0.910	0.030	2
715	1	55	VAL	HG22	H	0.910	0.030	2
716	1	55	VAL	HG23	H	0.910	0.030	2
717	1	55	VAL	C	C	177.282	0.300	1
718	1	55	VAL	CA	C	67.708	0.300	1
719	1	55	VAL	CB	C	31.512	0.300	1
720	1	55	VAL	CG1	C	20.914	0.300	2
721	1	55	VAL	CG2	C	23.340	0.300	2
722	1	55	VAL	N	N	120.537	0.300	1
723	1	56	LYS	H	H	7.597	0.030	1
724	1	56	LYS	HA	H	4.072	0.030	1
725	1	56	LYS	HB2	H	1.887	0.030	1
726	1	56	LYS	HB3	H	1.887	0.030	1
727	1	56	LYS	HG2	H	1.474	0.030	1
728	1	56	LYS	HG3	H	1.474	0.030	1
729	1	56	LYS	HD2	H	1.715	0.030	1
730	1	56	LYS	HD3	H	1.715	0.030	1
731	1	56	LYS	C	C	178.749	0.300	1
732	1	56	LYS	CA	C	59.423	0.300	1
733	1	56	LYS	CB	C	32.325	0.300	1
734	1	56	LYS	CG	C	24.859	0.300	1
735	1	56	LYS	CD	C	29.124	0.300	1
736	1	56	LYS	CE	C	43.448	0.300	1
737	1	56	LYS	N	N	117.222	0.300	1
738	1	57	LYS	H	H	7.485	0.030	1
739	1	57	LYS	HA	H	4.097	0.030	1
740	1	57	LYS	HB2	H	1.821	0.030	1
741	1	57	LYS	HB3	H	1.821	0.030	1
742	1	57	LYS	HG2	H	1.469	0.030	1
743	1	57	LYS	HG3	H	1.469	0.030	1
744	1	57	LYS	C	C	179.708	0.300	1
745	1	57	LYS	CA	C	58.527	0.300	1
746	1	57	LYS	CB	C	32.400	0.300	1
747	1	57	LYS	CG	C	25.069	0.300	1
748	1	57	LYS	CD	C	29.042	0.300	1
749	1	57	LYS	CE	C	42.064	0.300	1
750	1	57	LYS	N	N	117.529	0.300	1
751	1	58	ILE	H	H	8.363	0.030	1
752	1	58	ILE	HA	H	3.841	0.030	1
753	1	58	ILE	HB	H	1.988	0.030	1
754	1	58	ILE	HG12	H	1.226	0.030	2
755	1	58	ILE	HG13	H	1.714	0.030	2
756	1	58	ILE	HG21	H	0.982	0.030	1
757	1	58	ILE	HG22	H	0.982	0.030	1
758	1	58	ILE	HG23	H	0.982	0.030	1
759	1	58	ILE	HD11	H	0.728	0.030	1
760	1	58	ILE	HD12	H	0.728	0.030	1
761	1	58	ILE	HD13	H	0.728	0.030	1
762	1	58	ILE	C	C	177.719	0.300	1
763	1	58	ILE	CA	C	64.676	0.300	1
764	1	58	ILE	CB	C	37.441	0.300	1
765	1	58	ILE	CG1	C	28.427	0.300	1
766	1	58	ILE	CG2	C	18.926	0.300	1
767	1	58	ILE	CD1	C	13.365	0.300	1
768	1	58	ILE	N	N	118.451	0.300	1
769	1	59	GLN	H	H	8.850	0.030	1
770	1	59	GLN	HA	H	4.005	0.030	1
771	1	59	GLN	HB2	H	2.044	0.030	1
772	1	59	GLN	HB3	H	2.044	0.030	1
773	1	59	GLN	HG2	H	2.548	0.030	1
774	1	59	GLN	HG3	H	2.548	0.030	1
775	1	59	GLN	HE21	H	7.154	0.030	2
776	1	59	GLN	HE22	H	7.329	0.030	2
777	1	59	GLN	C	C	178.119	0.300	1
778	1	59	GLN	CA	C	58.560	0.300	1
779	1	59	GLN	CB	C	28.804	0.300	1
780	1	59	GLN	CG	C	34.743	0.300	1
781	1	59	GLN	N	N	120.027	0.300	1
782	1	59	GLN	NE2	N	113.079	0.300	1
783	1	60	GLU	H	H	7.675	0.030	1
784	1	60	GLU	HA	H	3.971	0.030	1
785	1	60	GLU	HB2	H	2.116	0.030	1
786	1	60	GLU	HB3	H	2.116	0.030	1
787	1	60	GLU	HG2	H	2.470	0.030	1
788	1	60	GLU	HG3	H	2.470	0.030	1
789	1	60	GLU	C	C	177.918	0.300	1
790	1	60	GLU	CA	C	58.632	0.300	1
791	1	60	GLU	CB	C	29.802	0.300	1
792	1	60	GLU	CG	C	36.580	0.300	1
793	1	60	GLU	N	N	115.494	0.300	1
794	1	61	ARG	H	H	7.143	0.030	1
795	1	61	ARG	HA	H	3.987	0.030	1
796	1	61	ARG	HB2	H	1.285	0.030	2
797	1	61	ARG	HB3	H	1.557	0.030	2
798	1	61	ARG	HG2	H	1.119	0.030	2
799	1	61	ARG	HG3	H	1.262	0.030	2
800	1	61	ARG	HD2	H	2.983	0.030	1
801	1	61	ARG	HD3	H	2.983	0.030	1
802	1	61	ARG	HE	H	7.142	0.030	1
803	1	61	ARG	C	C	175.785	0.300	1
804	1	61	ARG	CA	C	57.095	0.300	1
805	1	61	ARG	CB	C	31.436	0.300	1
806	1	61	ARG	CG	C	27.052	0.300	1
807	1	61	ARG	CD	C	43.239	0.300	1
808	1	61	ARG	N	N	116.981	0.300	1
809	1	62	PHE	H	H	8.179	0.030	1
810	1	62	PHE	HA	H	5.110	0.030	1
811	1	62	PHE	HB2	H	2.953	0.030	1
812	1	62	PHE	HB3	H	2.953	0.030	1
813	1	62	PHE	HD1	H	7.323	0.030	1
814	1	62	PHE	HD2	H	7.323	0.030	1
815	1	62	PHE	HE1	H	7.138	0.030	1
816	1	62	PHE	HE2	H	7.138	0.030	1
817	1	62	PHE	C	C	173.374	0.300	1
818	1	62	PHE	CA	C	54.675	0.300	1
819	1	62	PHE	CB	C	39.201	0.300	1
820	1	62	PHE	CD1	C	133.103	0.300	1
821	1	62	PHE	CD2	C	133.103	0.300	1
822	1	62	PHE	CE1	C	130.258	0.300	1
823	1	62	PHE	CE2	C	130.258	0.300	1
824	1	62	PHE	N	N	117.075	0.300	1
825	1	63	PRO	HA	H	4.607	0.030	1
826	1	63	PRO	HB2	H	1.937	0.030	2
827	1	63	PRO	HB3	H	2.432	0.030	2
828	1	63	PRO	HG2	H	1.926	0.030	2
829	1	63	PRO	HG3	H	2.003	0.030	2
830	1	63	PRO	HD2	H	3.305	0.030	2
831	1	63	PRO	HD3	H	3.644	0.030	2
832	1	63	PRO	C	C	178.168	0.300	1
833	1	63	PRO	CA	C	64.885	0.300	1
834	1	63	PRO	CB	C	32.479	0.300	1
835	1	63	PRO	CG	C	27.311	0.300	1
836	1	63	PRO	CD	C	50.395	0.300	1
837	1	64	LYS	H	H	8.545	0.030	1
838	1	64	LYS	HA	H	4.346	0.030	1
839	1	64	LYS	HB2	H	1.757	0.030	2
840	1	64	LYS	HB3	H	1.927	0.030	2
841	1	64	LYS	HD2	H	1.619	0.030	1
842	1	64	LYS	HD3	H	1.619	0.030	1
843	1	64	LYS	C	C	176.637	0.300	1
844	1	64	LYS	CA	C	56.190	0.300	1
845	1	64	LYS	CB	C	32.322	0.300	1
846	1	64	LYS	CG	C	25.317	0.300	1
847	1	64	LYS	CD	C	31.903	0.300	1
848	1	64	LYS	CE	C	41.952	0.300	1
849	1	64	LYS	N	N	115.408	0.300	1
850	1	65	LEU	H	H	7.411	0.030	1
851	1	65	LEU	HA	H	4.479	0.030	1
852	1	65	LEU	HB2	H	1.536	0.030	2
853	1	65	LEU	HB3	H	1.619	0.030	2
854	1	65	LEU	HD11	H	0.717	0.030	2
855	1	65	LEU	HD12	H	0.717	0.030	2
856	1	65	LEU	HD13	H	0.717	0.030	2
857	1	65	LEU	HD21	H	0.718	0.030	2
858	1	65	LEU	HD22	H	0.718	0.030	2
859	1	65	LEU	HD23	H	0.718	0.030	2
860	1	65	LEU	C	C	176.514	0.300	1
861	1	65	LEU	CA	C	54.314	0.300	1
862	1	65	LEU	CB	C	43.804	0.300	1
863	1	65	LEU	CD1	C	24.859	0.300	2
864	1	65	LEU	CD2	C	24.664	0.300	2
865	1	65	LEU	N	N	120.298	0.300	1
866	1	66	THR	H	H	8.717	0.030	1
867	1	66	THR	HA	H	4.359	0.030	1
868	1	66	THR	HB	H	4.195	0.030	1
869	1	66	THR	HG21	H	1.181	0.030	1
870	1	66	THR	HG22	H	1.181	0.030	1
871	1	66	THR	HG23	H	1.181	0.030	1
872	1	66	THR	C	C	172.364	0.300	1
873	1	66	THR	CA	C	63.841	0.300	1
874	1	66	THR	CB	C	69.026	0.300	1
875	1	66	THR	CG2	C	21.908	0.300	1
876	1	66	THR	N	N	121.698	0.300	1
877	1	67	ILE	H	H	8.505	0.030	1
878	1	67	ILE	HA	H	5.124	0.030	1
879	1	67	ILE	HB	H	1.714	0.030	1
880	1	67	ILE	HG12	H	0.998	0.030	2
881	1	67	ILE	HG13	H	1.455	0.030	2
882	1	67	ILE	HG21	H	0.884	0.030	1
883	1	67	ILE	HG22	H	0.884	0.030	1
884	1	67	ILE	HG23	H	0.884	0.030	1
885	1	67	ILE	HD11	H	0.811	0.030	1
886	1	67	ILE	HD12	H	0.811	0.030	1
887	1	67	ILE	HD13	H	0.811	0.030	1
888	1	67	ILE	C	C	175.393	0.300	1
889	1	67	ILE	CA	C	59.068	0.300	1
890	1	67	ILE	CB	C	39.717	0.300	1
891	1	67	ILE	CG1	C	27.613	0.300	1
892	1	67	ILE	CG2	C	18.903	0.300	1
893	1	67	ILE	CD1	C	14.533	0.300	1
894	1	67	ILE	N	N	127.607	0.300	1
895	1	68	LYS	H	H	9.235	0.030	1
896	1	68	LYS	HA	H	4.786	0.030	1
897	1	68	LYS	HB2	H	1.511	0.030	2
898	1	68	LYS	HB3	H	1.966	0.030	2
899	1	68	LYS	HG2	H	1.178	0.030	1
900	1	68	LYS	HG3	H	1.178	0.030	1
901	1	68	LYS	HE2	H	2.669	0.030	1
902	1	68	LYS	HE3	H	2.669	0.030	1
903	1	68	LYS	C	C	174.129	0.300	1
904	1	68	LYS	CA	C	53.992	0.300	1
905	1	68	LYS	CB	C	36.627	0.300	1
906	1	68	LYS	CG	C	24.777	0.300	1
907	1	68	LYS	CD	C	29.192	0.300	1
908	1	68	LYS	CE	C	41.721	0.300	1
909	1	68	LYS	N	N	126.458	0.300	1
910	1	69	GLN	H	H	8.503	0.030	1
911	1	69	GLN	HA	H	5.540	0.030	1
912	1	69	GLN	HB2	H	1.952	0.030	1
913	1	69	GLN	HB3	H	1.952	0.030	1
914	1	69	GLN	HG2	H	2.161	0.030	1
915	1	69	GLN	HG3	H	2.161	0.030	1
916	1	69	GLN	HE21	H	6.571	0.030	2
917	1	69	GLN	HE22	H	7.472	0.030	2
918	1	69	GLN	C	C	174.984	0.300	1
919	1	69	GLN	CA	C	54.180	0.300	1
920	1	69	GLN	CB	C	32.441	0.300	1
921	1	69	GLN	CG	C	33.455	0.300	1
922	1	69	GLN	N	N	117.134	0.300	1
923	1	69	GLN	NE2	N	110.272	0.300	1
924	1	70	SER	H	H	8.398	0.030	1
925	1	70	SER	HA	H	4.649	0.030	1
926	1	70	SER	HB2	H	3.375	0.030	2
927	1	70	SER	HB3	H	3.535	0.030	2
928	1	70	SER	C	C	173.287	0.300	1
929	1	70	SER	CA	C	57.635	0.300	1
930	1	70	SER	CB	C	66.193	0.300	1
931	1	70	SER	N	N	114.858	0.300	1
932	1	71	ARG	CA	C	60.171	0.300	1
933	1	71	ARG	CB	C	29.654	0.300	1
934	1	71	ARG	CD	C	41.433	0.300	1
935	1	72	ASN	H	H	8.263	0.030	1
936	1	72	ASN	HA	H	4.395	0.030	1
937	1	72	ASN	HB2	H	2.522	0.030	1
938	1	72	ASN	HB3	H	2.522	0.030	1
939	1	72	ASN	HD21	H	7.407	0.030	2
940	1	72	ASN	HD22	H	7.965	0.030	2
941	1	72	ASN	C	C	178.393	0.300	1
942	1	72	ASN	CA	C	56.759	0.300	1
943	1	72	ASN	CB	C	40.313	0.300	1
944	1	72	ASN	N	N	119.224	0.300	1
945	1	72	ASN	ND2	N	115.979	0.300	1
946	1	73	GLU	H	H	7.660	0.030	1
947	1	73	GLU	HG2	H	2.362	0.030	1
948	1	73	GLU	HG3	H	2.362	0.030	1
949	1	73	GLU	CA	C	58.531	0.300	1
950	1	73	GLU	CB	C	30.532	0.300	1
951	1	73	GLU	N	N	119.756	0.300	1
952	1	75	GLU	C	C	178.335	0.300	1
953	1	75	GLU	CA	C	58.462	0.300	1
954	1	75	GLU	CB	C	29.421	0.300	1
955	1	75	GLU	CG	C	37.125	0.300	1
956	1	76	ALA	H	H	7.733	0.030	1
957	1	76	ALA	HA	H	4.011	0.030	1
958	1	76	ALA	HB1	H	1.485	0.030	1
959	1	76	ALA	HB2	H	1.485	0.030	1
960	1	76	ALA	HB3	H	1.485	0.030	1
961	1	76	ALA	C	C	178.949	0.300	1
962	1	76	ALA	CA	C	55.529	0.300	1
963	1	76	ALA	CB	C	18.851	0.300	1
964	1	76	ALA	N	N	121.219	0.300	1
965	1	77	GLU	H	H	8.329	0.030	1
966	1	77	GLU	HA	H	3.958	0.030	1
967	1	77	GLU	HB2	H	2.136	0.030	1
968	1	77	GLU	HB3	H	2.136	0.030	1
969	1	77	GLU	HG2	H	2.149	0.030	2
970	1	77	GLU	HG3	H	2.360	0.030	2
971	1	77	GLU	C	C	177.884	0.300	1
972	1	77	GLU	CA	C	60.167	0.300	1
973	1	77	GLU	CB	C	29.813	0.300	1
974	1	77	GLU	CG	C	36.958	0.300	1
975	1	77	GLU	N	N	116.134	0.300	1
976	1	78	LYS	H	H	7.845	0.030	1
977	1	78	LYS	HA	H	4.136	0.030	1
978	1	78	LYS	HB2	H	1.901	0.030	1
979	1	78	LYS	HB3	H	1.901	0.030	1
980	1	78	LYS	HG2	H	1.437	0.030	1
981	1	78	LYS	HG3	H	1.437	0.030	1
982	1	78	LYS	C	C	178.744	0.300	1
983	1	78	LYS	CA	C	58.584	0.300	1
984	1	78	LYS	CB	C	32.462	0.300	1
985	1	78	LYS	CG	C	25.153	0.300	1
986	1	78	LYS	CE	C	42.132	0.300	1
987	1	78	LYS	N	N	116.601	0.300	1
988	1	79	ARG	H	H	8.246	0.030	1
989	1	79	ARG	HA	H	4.140	0.030	1
990	1	79	ARG	HB2	H	1.906	0.030	1
991	1	79	ARG	HB3	H	1.906	0.030	1
992	1	79	ARG	HG2	H	1.510	0.030	1
993	1	79	ARG	HG3	H	1.510	0.030	1
994	1	79	ARG	HD2	H	3.182	0.030	1
995	1	79	ARG	HD3	H	3.182	0.030	1
996	1	79	ARG	C	C	178.893	0.300	1
997	1	79	ARG	CA	C	58.740	0.300	1
998	1	79	ARG	CB	C	30.401	0.300	1
999	1	79	ARG	CG	C	27.345	0.300	1
1000	1	79	ARG	CD	C	43.356	0.300	1
1001	1	79	ARG	N	N	118.564	0.300	1
1002	1	80	ILE	H	H	8.091	0.030	1
1003	1	80	ILE	HA	H	3.647	0.030	1
1004	1	80	ILE	HB	H	1.876	0.030	1
1005	1	80	ILE	HG12	H	1.016	0.030	1
1006	1	80	ILE	HG13	H	1.016	0.030	1
1007	1	80	ILE	HG21	H	0.230	0.030	1
1008	1	80	ILE	HG22	H	0.230	0.030	1
1009	1	80	ILE	HG23	H	0.230	0.030	1
1010	1	80	ILE	HD11	H	0.657	0.030	1
1011	1	80	ILE	HD12	H	0.657	0.030	1
1012	1	80	ILE	HD13	H	0.657	0.030	1
1013	1	80	ILE	C	C	177.533	0.300	1
1014	1	80	ILE	CA	C	64.407	0.300	1
1015	1	80	ILE	CB	C	36.385	0.300	1
1016	1	80	ILE	CG1	C	28.955	0.300	1
1017	1	80	ILE	CG2	C	16.869	0.300	1
1018	1	80	ILE	CD1	C	13.266	0.300	1
1019	1	80	ILE	N	N	119.693	0.300	1
1020	1	81	GLN	H	H	7.945	0.030	1
1021	1	81	GLN	HA	H	3.428	0.030	1
1022	1	81	GLN	HB2	H	2.164	0.030	2
1023	1	81	GLN	HB3	H	2.369	0.030	2
1024	1	81	GLN	HG2	H	2.165	0.030	2
1025	1	81	GLN	HG3	H	2.369	0.030	2
1026	1	81	GLN	HE21	H	6.564	0.030	2
1027	1	81	GLN	HE22	H	7.647	0.030	2
1028	1	81	GLN	C	C	177.466	0.300	1
1029	1	81	GLN	CA	C	60.430	0.300	1
1030	1	81	GLN	CB	C	27.968	0.300	1
1031	1	81	GLN	CG	C	33.368	0.300	1
1032	1	81	GLN	N	N	119.290	0.300	1
1033	1	81	GLN	NE2	N	109.913	0.300	1
1034	1	82	LYS	H	H	8.047	0.030	1
1035	1	82	LYS	HA	H	4.070	0.030	1
1036	1	82	LYS	HB2	H	1.881	0.030	1
1037	1	82	LYS	HB3	H	1.881	0.030	1
1038	1	82	LYS	HG2	H	1.501	0.030	1
1039	1	82	LYS	HG3	H	1.501	0.030	1
1040	1	82	LYS	HE2	H	3.123	0.030	1
1041	1	82	LYS	HE3	H	3.123	0.030	1
1042	1	82	LYS	C	C	178.636	0.300	1
1043	1	82	LYS	CA	C	58.892	0.300	1
1044	1	82	LYS	CB	C	31.868	0.300	1
1045	1	82	LYS	CG	C	24.694	0.300	1
1046	1	82	LYS	CD	C	28.926	0.300	1
1047	1	82	LYS	CE	C	43.282	0.300	1
1048	1	82	LYS	N	N	119.457	0.300	1
1049	1	83	GLU	H	H	7.585	0.030	1
1050	1	83	GLU	HA	H	4.037	0.030	1
1051	1	83	GLU	HB2	H	2.073	0.030	1
1052	1	83	GLU	HB3	H	2.073	0.030	1
1053	1	83	GLU	HG2	H	2.373	0.030	1
1054	1	83	GLU	HG3	H	2.373	0.030	1
1055	1	83	GLU	C	C	179.284	0.300	1
1056	1	83	GLU	CA	C	59.424	0.300	1
1057	1	83	GLU	CB	C	29.556	0.300	1
1058	1	83	GLU	CG	C	36.378	0.300	1
1059	1	83	GLU	N	N	119.280	0.300	1
1060	1	84	LEU	H	H	8.170	0.030	1
1061	1	84	LEU	HA	H	3.830	0.030	1
1062	1	84	LEU	HB2	H	1.090	0.030	2
1063	1	84	LEU	HB3	H	1.818	0.030	2
1064	1	84	LEU	HG	H	1.682	0.030	1
1065	1	84	LEU	HD11	H	0.586	0.030	2
1066	1	84	LEU	HD12	H	0.586	0.030	2
1067	1	84	LEU	HD13	H	0.586	0.030	2
1068	1	84	LEU	HD21	H	0.247	0.030	2
1069	1	84	LEU	HD22	H	0.247	0.030	2
1070	1	84	LEU	HD23	H	0.247	0.030	2
1071	1	84	LEU	C	C	179.914	0.300	1
1072	1	84	LEU	CA	C	57.594	0.300	1
1073	1	84	LEU	CB	C	41.560	0.300	1
1074	1	84	LEU	CG	C	26.250	0.300	1
1075	1	84	LEU	CD1	C	22.056	0.300	2
1076	1	84	LEU	CD2	C	26.123	0.300	2
1077	1	84	LEU	N	N	117.781	0.300	1
1078	1	85	GLU	H	H	8.357	0.030	1
1079	1	85	GLU	HA	H	3.850	0.030	1
1080	1	85	GLU	HB2	H	1.998	0.030	1
1081	1	85	GLU	HB3	H	1.998	0.030	1
1082	1	85	GLU	HG2	H	2.594	0.030	1
1083	1	85	GLU	HG3	H	2.594	0.030	1
1084	1	85	GLU	C	C	179.231	0.300	1
1085	1	85	GLU	CA	C	59.508	0.300	1
1086	1	85	GLU	CB	C	29.942	0.300	1
1087	1	85	GLU	CG	C	37.139	0.300	1
1088	1	85	GLU	N	N	120.671	0.300	1
1089	1	86	GLU	H	H	7.826	0.030	1
1090	1	86	GLU	HA	H	3.968	0.030	1
1091	1	86	GLU	HB2	H	2.200	0.030	1
1092	1	86	GLU	HB3	H	2.200	0.030	1
1093	1	86	GLU	HG2	H	2.442	0.030	1
1094	1	86	GLU	HG3	H	2.442	0.030	1
1095	1	86	GLU	C	C	178.678	0.300	1
1096	1	86	GLU	CA	C	58.971	0.300	1
1097	1	86	GLU	CB	C	29.816	0.300	1
1098	1	86	GLU	CG	C	36.640	0.300	1
1099	1	86	GLU	N	N	117.896	0.300	1
1100	1	87	ARG	H	H	7.561	0.030	1
1101	1	87	ARG	HA	H	4.275	0.030	1
1102	1	87	ARG	HB2	H	1.665	0.030	2
1103	1	87	ARG	HB3	H	1.968	0.030	2
1104	1	87	ARG	HG2	H	1.792	0.030	1
1105	1	87	ARG	HG3	H	1.792	0.030	1
1106	1	87	ARG	HD2	H	3.131	0.030	1
1107	1	87	ARG	HD3	H	3.131	0.030	1
1108	1	87	ARG	C	C	175.858	0.300	1
1109	1	87	ARG	CA	C	56.456	0.300	1
1110	1	87	ARG	CB	C	31.590	0.300	1
1111	1	87	ARG	CG	C	27.436	0.300	1
1112	1	87	ARG	CD	C	43.279	0.300	1
1113	1	87	ARG	N	N	114.362	0.300	1
1114	1	88	ASN	H	H	7.577	0.030	1
1115	1	88	ASN	HA	H	5.147	0.030	1
1116	1	88	ASN	HB2	H	2.241	0.030	2
1117	1	88	ASN	HB3	H	2.697	0.030	2
1118	1	88	ASN	HD21	H	7.973	0.030	1
1119	1	88	ASN	HD22	H	7.973	0.030	1
1120	1	88	ASN	C	C	180.536	0.300	1
1121	1	88	ASN	CA	C	51.117	0.300	1
1122	1	88	ASN	CB	C	40.563	0.300	1
1123	1	88	ASN	N	N	117.114	0.300	1
1124	1	88	ASN	ND2	N	119.823	0.300	1
1125	1	89	PRO	HA	H	4.454	0.030	1
1126	1	89	PRO	HB2	H	2.332	0.030	1
1127	1	89	PRO	HB3	H	2.332	0.030	1
1128	1	89	PRO	HG2	H	1.997	0.030	1
1129	1	89	PRO	HG3	H	1.997	0.030	1
1130	1	89	PRO	HD2	H	3.346	0.030	2
1131	1	89	PRO	HD3	H	3.581	0.030	2
1132	1	89	PRO	C	C	176.566	0.300	1
1133	1	89	PRO	CA	C	64.142	0.300	1
1134	1	89	PRO	CB	C	31.851	0.300	1
1135	1	89	PRO	CG	C	27.384	0.300	1
1136	1	89	PRO	CD	C	50.258	0.300	1
1137	1	90	ASN	H	H	7.414	0.030	1
1138	1	90	ASN	HA	H	4.598	0.030	1
1139	1	90	ASN	HB2	H	2.928	0.030	2
1140	1	90	ASN	HB3	H	3.019	0.030	2
1141	1	90	ASN	HD21	H	6.953	0.030	2
1142	1	90	ASN	HD22	H	7.603	0.030	2
1143	1	90	ASN	C	C	173.748	0.300	1
1144	1	90	ASN	CA	C	54.070	0.300	1
1145	1	90	ASN	CB	C	37.917	0.300	1
1146	1	90	ASN	N	N	120.362	0.300	1
1147	1	90	ASN	ND2	N	113.464	0.300	1
1148	1	91	ALA	H	H	7.565	0.030	1
1149	1	91	ALA	HA	H	4.669	0.030	1
1150	1	91	ALA	HB1	H	1.260	0.030	1
1151	1	91	ALA	HB2	H	1.260	0.030	1
1152	1	91	ALA	HB3	H	1.260	0.030	1
1153	1	91	ALA	C	C	176.831	0.300	1
1154	1	91	ALA	CA	C	51.375	0.300	1
1155	1	91	ALA	CB	C	22.060	0.300	1
1156	1	91	ALA	N	N	120.824	0.300	1
1157	1	92	GLU	H	H	8.330	0.030	1
1158	1	92	GLU	HA	H	4.637	0.030	1
1159	1	92	GLU	HB2	H	2.014	0.030	2
1160	1	92	GLU	HB3	H	2.058	0.030	2
1161	1	92	GLU	HG2	H	2.330	0.030	1
1162	1	92	GLU	HG3	H	2.330	0.030	1
1163	1	92	GLU	C	C	175.054	0.300	1
1164	1	92	GLU	CA	C	55.642	0.300	1
1165	1	92	GLU	CB	C	31.594	0.300	1
1166	1	92	GLU	CG	C	36.378	0.300	1
1167	1	92	GLU	N	N	121.175	0.300	1
1168	1	93	ILE	H	H	8.758	0.030	1
1169	1	93	ILE	HA	H	4.974	0.030	1
1170	1	93	ILE	HB	H	1.841	0.030	1
1171	1	93	ILE	HG12	H	0.983	0.030	2
1172	1	93	ILE	HG13	H	1.547	0.030	2
1173	1	93	ILE	HG21	H	0.873	0.030	1
1174	1	93	ILE	HG22	H	0.873	0.030	1
1175	1	93	ILE	HG23	H	0.873	0.030	1
1176	1	93	ILE	HD11	H	0.810	0.030	1
1177	1	93	ILE	HD12	H	0.810	0.030	1
1178	1	93	ILE	HD13	H	0.810	0.030	1
1179	1	93	ILE	C	C	175.469	0.300	1
1180	1	93	ILE	CA	C	60.640	0.300	1
1181	1	93	ILE	CB	C	39.887	0.300	1
1182	1	93	ILE	CG1	C	28.474	0.300	1
1183	1	93	ILE	CG2	C	18.040	0.300	1
1184	1	93	ILE	CD1	C	14.437	0.300	1
1185	1	93	ILE	N	N	126.198	0.300	1
1186	1	94	GLN	H	H	9.103	0.030	1
1187	1	94	GLN	HA	H	4.818	0.030	1
1188	1	94	GLN	HB2	H	1.801	0.030	2
1189	1	94	GLN	HB3	H	2.077	0.030	2
1190	1	94	GLN	HG2	H	2.268	0.030	1
1191	1	94	GLN	HG3	H	2.268	0.030	1
1192	1	94	GLN	HE21	H	6.620	0.030	2
1193	1	94	GLN	HE22	H	7.637	0.030	2
1194	1	94	GLN	C	C	173.803	0.300	1
1195	1	94	GLN	CA	C	54.087	0.300	1
1196	1	94	GLN	CB	C	32.187	0.300	1
1197	1	94	GLN	CG	C	33.469	0.300	1
1198	1	94	GLN	N	N	126.267	0.300	1
1199	1	94	GLN	NE2	N	111.122	0.300	1
1200	1	95	VAL	H	H	8.522	0.030	1
1201	1	95	VAL	HA	H	4.392	0.030	1
1202	1	95	VAL	HB	H	1.667	0.030	1
1203	1	95	VAL	HG11	H	0.497	0.030	2
1204	1	95	VAL	HG12	H	0.497	0.030	2
1205	1	95	VAL	HG13	H	0.497	0.030	2
1206	1	95	VAL	HG21	H	0.409	0.030	2
1207	1	95	VAL	HG22	H	0.409	0.030	2
1208	1	95	VAL	HG23	H	0.409	0.030	2
1209	1	95	VAL	C	C	174.586	0.300	1
1210	1	95	VAL	CA	C	60.926	0.300	1
1211	1	95	VAL	CB	C	33.225	0.300	1
1212	1	95	VAL	CG1	C	20.517	0.300	2
1213	1	95	VAL	CG2	C	21.946	0.300	2
1214	1	95	VAL	N	N	123.630	0.300	1
1215	1	96	VAL	H	H	9.073	0.030	1
1216	1	96	VAL	HA	H	4.347	0.030	1
1217	1	96	VAL	HB	H	2.059	0.030	1
1218	1	96	VAL	HG11	H	0.779	0.030	2
1219	1	96	VAL	HG12	H	0.779	0.030	2
1220	1	96	VAL	HG13	H	0.779	0.030	2
1221	1	96	VAL	HG21	H	0.910	0.030	2
1222	1	96	VAL	HG22	H	0.910	0.030	2
1223	1	96	VAL	HG23	H	0.910	0.030	2
1224	1	96	VAL	C	C	176.152	0.300	1
1225	1	96	VAL	CA	C	61.247	0.300	1
1226	1	96	VAL	CB	C	34.355	0.300	1
1227	1	96	VAL	CG1	C	21.285	0.300	2
1228	1	96	VAL	CG2	C	22.729	0.300	2
1229	1	96	VAL	N	N	125.388	0.300	1
1230	1	97	ARG	H	H	9.095	0.030	1
1231	1	97	ARG	HA	H	4.577	0.030	1
1232	1	97	ARG	HB2	H	1.733	0.030	2
1233	1	97	ARG	HB3	H	2.012	0.030	2
1234	1	97	ARG	HG2	H	0.737	0.030	1
1235	1	97	ARG	HG3	H	0.737	0.030	1
1236	1	97	ARG	HD2	H	3.177	0.030	1
1237	1	97	ARG	HD3	H	3.177	0.030	1
1238	1	97	ARG	C	C	175.697	0.300	1
1239	1	97	ARG	CA	C	56.378	0.300	1
1240	1	97	ARG	CB	C	31.313	0.300	1
1241	1	97	ARG	CG	C	25.102	0.300	1
1242	1	97	ARG	CD	C	43.238	0.300	1
1243	1	97	ARG	N	N	123.645	0.300	1
1244	1	98	SER	H	H	7.536	0.030	1
1245	1	98	SER	HA	H	4.578	0.030	1
1246	1	98	SER	HB2	H	3.951	0.030	2
1247	1	98	SER	HB3	H	4.094	0.030	2
1248	1	98	SER	C	C	174.077	0.300	1
1249	1	98	SER	CA	C	57.093	0.300	1
1250	1	98	SER	CB	C	65.889	0.300	1
1251	1	98	SER	N	N	112.003	0.300	1
1252	1	99	GLU	H	H	9.019	0.030	1
1253	1	99	GLU	HA	H	3.678	0.030	1
1254	1	99	GLU	C	C	178.547	0.300	1
1255	1	99	GLU	CA	C	60.508	0.300	1
1256	1	99	GLU	CB	C	30.103	0.300	1
1257	1	99	GLU	N	N	121.084	0.300	1
1258	1	100	ASP	H	H	8.240	0.030	1
1259	1	100	ASP	HA	H	4.387	0.030	1
1260	1	100	ASP	HB2	H	2.540	0.030	1
1261	1	100	ASP	HB3	H	2.540	0.030	1
1262	1	100	ASP	C	C	178.335	0.300	1
1263	1	100	ASP	CA	C	57.085	0.300	1
1264	1	100	ASP	CB	C	40.195	0.300	1
1265	1	100	ASP	N	N	119.224	0.300	1
1266	1	101	GLU	H	H	7.654	0.030	1
1267	1	101	GLU	HA	H	4.117	0.030	1
1268	1	101	GLU	HB2	H	2.330	0.030	1
1269	1	101	GLU	HB3	H	2.330	0.030	1
1270	1	101	GLU	C	C	178.376	0.300	1
1271	1	101	GLU	CA	C	58.799	0.300	1
1272	1	101	GLU	CB	C	30.519	0.300	1
1273	1	101	GLU	CG	C	37.239	0.300	1
1274	1	101	GLU	N	N	119.950	0.300	1
1275	1	102	LEU	H	H	7.584	0.030	1
1276	1	102	LEU	HA	H	3.979	0.030	1
1277	1	102	LEU	HB2	H	1.516	0.030	2
1278	1	102	LEU	HB3	H	2.119	0.030	2
1279	1	102	LEU	HG	H	1.640	0.030	1
1280	1	102	LEU	HD11	H	0.928	0.030	2
1281	1	102	LEU	HD12	H	0.928	0.030	2
1282	1	102	LEU	HD13	H	0.928	0.030	2
1283	1	102	LEU	HD21	H	0.858	0.030	2
1284	1	102	LEU	HD22	H	0.858	0.030	2
1285	1	102	LEU	HD23	H	0.858	0.030	2
1286	1	102	LEU	C	C	177.421	0.300	1
1287	1	102	LEU	CA	C	57.577	0.300	1
1288	1	102	LEU	CB	C	41.514	0.300	1
1289	1	102	LEU	CG	C	27.013	0.300	1
1290	1	102	LEU	CD1	C	26.463	0.300	2
1291	1	102	LEU	CD2	C	23.822	0.300	2
1292	1	102	LEU	N	N	119.038	0.300	1
1293	1	103	LYS	H	H	7.816	0.030	1
1294	1	103	LYS	HA	H	4.097	0.030	1
1295	1	103	LYS	HB2	H	1.890	0.030	1
1296	1	103	LYS	HB3	H	1.890	0.030	1
1297	1	103	LYS	C	C	177.642	0.300	1
1298	1	103	LYS	CA	C	60.322	0.300	1
1299	1	103	LYS	CB	C	32.364	0.300	1
1300	1	103	LYS	CD	C	26.489	0.300	1
1301	1	103	LYS	N	N	118.356	0.300	1
1302	1	104	GLU	H	H	7.572	0.030	1
1303	1	104	GLU	HA	H	4.080	0.030	1
1304	1	104	GLU	HB2	H	2.088	0.030	1
1305	1	104	GLU	HB3	H	2.088	0.030	1
1306	1	104	GLU	HG2	H	2.257	0.030	1
1307	1	104	GLU	HG3	H	2.257	0.030	1
1308	1	104	GLU	C	C	179.236	0.300	1
1309	1	104	GLU	CA	C	59.444	0.300	1
1310	1	104	GLU	CB	C	29.648	0.300	1
1311	1	104	GLU	CG	C	36.558	0.300	1
1312	1	104	GLU	N	N	116.624	0.300	1
1313	1	105	ILE	H	H	7.635	0.030	1
1314	1	105	ILE	HA	H	3.838	0.030	1
1315	1	105	ILE	HB	H	1.969	0.030	1
1316	1	105	ILE	HG12	H	1.301	0.030	1
1317	1	105	ILE	HG13	H	1.301	0.030	1
1318	1	105	ILE	HG21	H	0.852	0.030	1
1319	1	105	ILE	HG22	H	0.852	0.030	1
1320	1	105	ILE	HG23	H	0.852	0.030	1
1321	1	105	ILE	HD11	H	0.792	0.030	1
1322	1	105	ILE	HD12	H	0.792	0.030	1
1323	1	105	ILE	HD13	H	0.792	0.030	1
1324	1	105	ILE	C	C	178.365	0.300	1
1325	1	105	ILE	CA	C	63.884	0.300	1
1326	1	105	ILE	CB	C	37.779	0.300	1
1327	1	105	ILE	CG1	C	29.233	0.300	1
1328	1	105	ILE	CG2	C	17.350	0.300	1
1329	1	105	ILE	CD1	C	13.664	0.300	1
1330	1	105	ILE	N	N	118.388	0.300	1
1331	1	106	LEU	H	H	8.392	0.030	1
1332	1	106	LEU	HA	H	4.036	0.030	1
1333	1	106	LEU	HB2	H	1.512	0.030	2
1334	1	106	LEU	HB3	H	1.899	0.030	2
1335	1	106	LEU	HG	H	0.849	0.030	1
1336	1	106	LEU	HD11	H	0.782	0.030	2
1337	1	106	LEU	HD12	H	0.782	0.030	2
1338	1	106	LEU	HD13	H	0.782	0.030	2
1339	1	106	LEU	HD21	H	0.850	0.030	2
1340	1	106	LEU	HD22	H	0.850	0.030	2
1341	1	106	LEU	HD23	H	0.850	0.030	2
1342	1	106	LEU	C	C	179.143	0.300	1
1343	1	106	LEU	CA	C	57.757	0.300	1
1344	1	106	LEU	CB	C	40.192	0.300	1
1345	1	106	LEU	CG	C	26.409	0.300	1
1346	1	106	LEU	CD1	C	21.886	0.300	2
1347	1	106	LEU	CD2	C	21.886	0.300	2
1348	1	106	LEU	N	N	119.728	0.300	1
1349	1	107	ASP	H	H	8.475	0.030	1
1350	1	107	ASP	HA	H	4.380	0.030	1
1351	1	107	ASP	HB2	H	2.640	0.030	2
1352	1	107	ASP	HB3	H	2.811	0.030	2
1353	1	107	ASP	C	C	178.995	0.300	1
1354	1	107	ASP	CA	C	57.503	0.300	1
1355	1	107	ASP	CB	C	39.959	0.300	1
1356	1	107	ASP	N	N	119.930	0.300	1
1357	1	108	LYS	H	H	7.454	0.030	1
1358	1	108	LYS	HA	H	4.147	0.030	1
1359	1	108	LYS	HB2	H	1.889	0.030	1
1360	1	108	LYS	HB3	H	1.889	0.030	1
1361	1	108	LYS	HG2	H	1.458	0.030	1
1362	1	108	LYS	HG3	H	1.458	0.030	1
1363	1	108	LYS	HD2	H	1.571	0.030	1
1364	1	108	LYS	HD3	H	1.571	0.030	1
1365	1	108	LYS	C	C	179.034	0.300	1
1366	1	108	LYS	CA	C	58.547	0.300	1
1367	1	108	LYS	CB	C	32.343	0.300	1
1368	1	108	LYS	CG	C	25.153	0.300	1
1369	1	108	LYS	CD	C	28.885	0.300	1
1370	1	108	LYS	CE	C	41.926	0.300	1
1371	1	108	LYS	N	N	119.048	0.300	1
1372	1	109	LEU	H	H	7.850	0.030	1
1373	1	109	LEU	HA	H	3.951	0.030	1
1374	1	109	LEU	HB2	H	1.443	0.030	2
1375	1	109	LEU	HB3	H	1.698	0.030	2
1376	1	109	LEU	HG	H	1.679	0.030	1
1377	1	109	LEU	HD11	H	0.454	0.030	2
1378	1	109	LEU	HD12	H	0.454	0.030	2
1379	1	109	LEU	HD13	H	0.454	0.030	2
1380	1	109	LEU	HD21	H	0.586	0.030	2
1381	1	109	LEU	HD22	H	0.586	0.030	2
1382	1	109	LEU	HD23	H	0.586	0.030	2
1383	1	109	LEU	C	C	178.894	0.300	1
1384	1	109	LEU	CA	C	57.476	0.300	1
1385	1	109	LEU	CB	C	41.543	0.300	1
1386	1	109	LEU	CG	C	26.491	0.300	1
1387	1	109	LEU	CD1	C	23.202	0.300	2
1388	1	109	LEU	CD2	C	25.097	0.300	2
1389	1	109	LEU	N	N	120.980	0.300	1
1390	1	110	ASP	H	H	8.272	0.030	1
1391	1	110	ASP	HA	H	4.535	0.030	1
1392	1	110	ASP	HB2	H	2.726	0.030	2
1393	1	110	ASP	HB3	H	2.800	0.030	2
1394	1	110	ASP	C	C	178.361	0.300	1
1395	1	110	ASP	CA	C	56.521	0.300	1
1396	1	110	ASP	CB	C	40.625	0.300	1
1397	1	110	ASP	N	N	119.791	0.300	1
1398	1	111	GLU	H	H	7.821	0.030	1
1399	1	111	GLU	HA	H	4.154	0.030	1
1400	1	111	GLU	HB2	H	2.126	0.030	1
1401	1	111	GLU	HB3	H	2.126	0.030	1
1402	1	111	GLU	HG2	H	2.366	0.030	1
1403	1	111	GLU	HG3	H	2.366	0.030	1
1404	1	111	GLU	C	C	177.878	0.300	1
1405	1	111	GLU	CA	C	58.513	0.300	1
1406	1	111	GLU	CB	C	29.820	0.300	1
1407	1	111	GLU	CG	C	36.323	0.300	1
1408	1	111	GLU	N	N	120.000	0.300	1
1409	1	112	LYS	H	H	7.835	0.030	1
1410	1	112	LYS	HA	H	4.237	0.030	1
1411	1	112	LYS	HB2	H	1.877	0.030	1
1412	1	112	LYS	HB3	H	1.877	0.030	1
1413	1	112	LYS	HE2	H	2.786	0.030	1
1414	1	112	LYS	HE3	H	2.786	0.030	1
1415	1	112	LYS	C	C	177.336	0.300	1
1416	1	112	LYS	CA	C	57.184	0.300	1
1417	1	112	LYS	CB	C	32.395	0.300	1
1418	1	112	LYS	CE	C	41.976	0.300	1
1419	1	112	LYS	N	N	119.214	0.300	1
1420	1	113	LYS	H	H	7.593	0.030	1
1421	1	113	LYS	HB2	H	1.885	0.030	1
1422	1	113	LYS	HB3	H	1.885	0.030	1
1423	1	113	LYS	HG2	H	1.465	0.030	1
1424	1	113	LYS	HG3	H	1.465	0.030	1
1425	1	113	LYS	HD2	H	1.698	0.030	1
1426	1	113	LYS	HD3	H	1.698	0.030	1
1427	1	113	LYS	HE2	H	2.987	0.030	1
1428	1	113	LYS	HE3	H	2.987	0.030	1
1429	1	113	LYS	C	C	175.778	0.300	1
1430	1	113	LYS	CA	C	60.071	0.300	1
1431	1	113	LYS	CB	C	33.596	0.300	1
1432	1	113	LYS	CG	C	25.047	0.300	1
1433	1	113	LYS	CD	C	29.179	0.300	1
1434	1	113	LYS	CE	C	42.112	0.300	1
1435	1	113	LYS	N	N	117.055	0.300	1
1436	1	114	GLY	H	H	8.688	0.030	1
1437	1	114	GLY	HA2	H	4.022	0.030	2
1438	1	114	GLY	HA3	H	4.364	0.030	2
1439	1	114	GLY	C	C	174.876	0.300	1
1440	1	114	GLY	CA	C	44.675	0.300	1
1441	1	114	GLY	N	N	109.843	0.300	1
1442	1	115	SER	H	H	8.875	0.030	1
1443	1	115	SER	HA	H	4.500	0.030	1
1444	1	115	SER	HB2	H	3.819	0.030	1
1445	1	115	SER	HB3	H	3.819	0.030	1
1446	1	115	SER	C	C	174.215	0.300	1
1447	1	115	SER	CA	C	58.513	0.300	1
1448	1	115	SER	CB	C	63.906	0.300	1
1449	1	115	SER	N	N	116.444	0.300	1
1450	1	116	TRP	H	H	8.078	0.030	1
1451	1	116	TRP	HE1	H	10.070	0.030	1
1452	1	116	TRP	HZ2	H	7.376	0.030	1
1453	1	116	TRP	HZ3	H	7.109	0.030	1
1454	1	116	TRP	C	C	176.302	0.300	1
1455	1	116	TRP	CA	C	57.323	0.300	1
1456	1	116	TRP	CB	C	30.631	0.300	1
1457	1	116	TRP	CZ2	C	114.368	0.300	1
1458	1	116	TRP	N	N	122.943	0.300	1
1459	1	116	TRP	NE1	N	129.114	0.300	1
1460	1	117	SER	H	H	8.176	0.030	1
1461	1	117	SER	HB2	H	3.556	0.030	2
1462	1	117	SER	HB3	H	3.635	0.030	2
1463	1	117	SER	C	C	174.113	0.300	1
1464	1	117	SER	CA	C	58.264	0.300	1
1465	1	117	SER	CB	C	64.391	0.300	1
1466	1	117	SER	N	N	115.771	0.300	1
1467	1	118	LEU	H	H	8.360	0.030	1
1468	1	118	LEU	HA	H	4.417	0.030	1
1469	1	118	LEU	HB2	H	1.569	0.030	1
1470	1	118	LEU	HB3	H	1.569	0.030	1
1471	1	118	LEU	HD11	H	0.833	0.030	2
1472	1	118	LEU	HD12	H	0.833	0.030	2
1473	1	118	LEU	HD13	H	0.833	0.030	2
1474	1	118	LEU	HD21	H	0.895	0.030	2
1475	1	118	LEU	HD22	H	0.895	0.030	2
1476	1	118	LEU	HD23	H	0.895	0.030	2
1477	1	118	LEU	C	C	177.465	0.300	1
1478	1	118	LEU	CA	C	55.526	0.300	1
1479	1	118	LEU	CB	C	42.452	0.300	1
1480	1	118	LEU	CG	C	26.497	0.300	1
1481	1	118	LEU	CD1	C	24.006	0.300	2
1482	1	118	LEU	CD2	C	24.922	0.300	2
1483	1	118	LEU	N	N	124.394	0.300	1
1484	1	119	GLU	H	H	8.352	0.030	1
1485	1	119	GLU	HA	H	3.896	0.030	1
1486	1	119	GLU	C	C	176.159	0.300	1
1487	1	119	GLU	CA	C	57.259	0.300	1
1488	1	119	GLU	CB	C	30.436	0.300	1
1489	1	119	GLU	N	N	121.615	0.300	1
1490	1	120	HIS	HB2	H	3.234	0.030	1
1491	1	120	HIS	HB3	H	3.234	0.030	1
1492	1	120	HIS	HD1	H	7.434	0.030	1
1493	1	120	HIS	C	C	177.687	0.300	1
1494	1	120	HIS	CA	C	59.555	0.300	1
1495	1	120	HIS	CB	C	30.328	0.300	1
1496	1	120	HIS	CE1	C	127.129	0.300	1
1497	1	125	HIS	H	H	7.858	0.030	1
1498	1	125	HIS	N	N	125.775	0.300	1

Release date

2020-05-06

Citation

Exploration of novel αβ-protein folds through de novo design
Minami, S., Kobayashi, N., 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. NF4, : 1 : 2 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 7.4, Details 0.45 mM [U-100% 13C; U-100% 15N] NF4, 5.6 mM sodium phosphate, 1.1 mM potassium phosphate, 137 mM sodium chloride, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	NF4	[U-100% 13C; U-100% 15N]	protein	0.45 mM
2	potassium phosphate	natural abundance		1.1 mM
3	sodium chloride	natural abundance	salt	137 mM
4	sodium phosphate	natural abundance	buffer	5.6 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NF4	[U-100% 13C; U-100% 15N]	protein	0.45 mM
2	potassium phosphate	natural abundance		1.1 mM
3	sodium chloride	natural abundance	salt	137 mM
4	sodium phosphate	natural abundance	buffer	5.6 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	NF4	[U-100% 13C; U-100% 15N]	protein	0.45 mM
2	potassium phosphate	natural abundance		1.1 mM
3	sodium chloride	natural abundance	salt	137 mM
4	sodium phosphate	natural abundance	buffer	5.6 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %

4 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NF4	[U-100% 13C; U-100% 15N]	protein	0.45 mM
2	potassium phosphate	natural abundance		1.1 mM
3	sodium chloride	natural abundance	salt	137 mM
4	sodium phosphate	natural abundance	buffer	5.6 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %

5 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NF4	[U-100% 13C; U-100% 15N]	protein	0.45 mM
2	potassium phosphate	natural abundance		1.1 mM
3	sodium chloride	natural abundance	salt	137 mM
4	sodium phosphate	natural abundance	buffer	5.6 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %

6 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NF4	[U-100% 13C; U-100% 15N]	protein	0.45 mM
2	potassium phosphate	natural abundance		1.1 mM
3	sodium chloride	natural abundance	salt	137 mM
4	sodium phosphate	natural abundance	buffer	5.6 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	NF4	[U-100% 13C; U-100% 15N]	protein	0.45 mM
2	potassium phosphate	natural abundance		1.1 mM
3	sodium chloride	natural abundance	salt	137 mM
4	sodium phosphate	natural abundance	buffer	5.6 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	NF4	[U-100% 13C; U-100% 15N]	protein	0.45 mM
2	potassium phosphate	natural abundance		1.1 mM
3	sodium chloride	natural abundance	salt	137 mM
4	sodium phosphate	natural abundance	buffer	5.6 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	NF4	[U-100% 13C; U-100% 15N]	protein	0.45 mM
2	potassium phosphate	natural abundance		1.1 mM
3	sodium chloride	natural abundance	salt	137 mM
4	sodium phosphate	natural abundance	buffer	5.6 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %

10 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NF4	[U-100% 13C; U-100% 15N]	protein	0.45 mM
2	potassium phosphate	natural abundance		1.1 mM
3	sodium chloride	natural abundance	salt	137 mM
4	sodium phosphate	natural abundance	buffer	5.6 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %

11 2D 1H-15N HSQC IPAP

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NF4	[U-100% 13C; U-100% 15N]	protein	0.45 mM
2	potassium phosphate	natural abundance		1.1 mM
3	sodium chloride	natural abundance	salt	137 mM
4	sodium phosphate	natural abundance	buffer	5.6 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %

12 2D 1H-15N HSQC IPAP

Instrument

Bruker AVANCE III - 700 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.4, Details 0.2 mM [U-100% 13C; U-100% 15N] NF4, 5.6 mM sodium phosphate, 1.1 mM potassium phosphate, 137 mM sodium chloride, 10 mg/mL Pf1 phage, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
7	NF4	[U-100% 13C; U-100% 15N]	protein	0.2 mM
8	Pf1 phage	natural abundance		10 mg/mL
9	potassium phosphate	natural abundance		1.1 mM
10	sodium chloride	natural abundance	salt	137 mM
11	sodium phosphate	natural abundance	buffer	5.6 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	bmr36332_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: bmr36332_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1498		96.0 (chain: 1, length: 125)
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: 125, Sequence coverage: 96.0%
- Total number of assignments
  - ¹H chemical shifts: 835
  - ¹³C chemical shifts: 540
  - ¹⁵N chemical shifts: 123
- 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)
120	HIS	HD1	7.434

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	826	686	83.1
¹³C chemical shifts	597	540	90.5
¹⁵N chemical shifts	141	123	87.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	249	227	91.2
¹³C chemical shifts	250	235	94.0
¹⁵N chemical shifts	121	112	92.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	577	459	79.5
¹³C chemical shifts	347	305	87.9
¹⁵N chemical shifts	20	11	55.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	74	74	100.0
¹³C chemical shifts	74	74	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	37	20	54.1
¹³C chemical shifts	36	18	50.0
¹⁵N chemical shifts	1	1	100.0

Keywords DE NOVO PROTEIN, de novo designed protein

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Found 1 Document (0.372 seconds)

BMRB: 36332

Related entities 1. NF4, : 1 : 2 entities Detail

Experiments performed 12 experiments Detail

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Chemical shift validation 3 contents Detail