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BMRB: 36339

7BQS

Solution NMR structure of fold-U Nomur; de novo designed protein with an asymmetric all-alpha topology

Authors

Kobayashi, N., Nagashima, T., Sakuma, K., Kosugi, T., Koga, R., Koga, N.

Assembly

Nomur

Entity

1. Nomur (polymer, Thiol state: not present), 122 monomers, 13437.81 Da Detail

GETKAKAAQE ALRAAREQAT TPEAQKALEE LEKVLKTASP EQWRQAAEKI FEAFREASNG NTEKAKKLLE EAARTAGASP EIIKKLASAL ERLAEEGAAK EAARQAEEVR KRGSLEHHHH HH

Formula weight

13437.81 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 738, ¹³C: 484, ¹⁵N: 119 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	GLY	CA	C	45.536	0.300	1
2	1	2	GLU	HB2	H	2.091	0.030	1
3	1	2	GLU	HB3	H	2.091	0.030	1
4	1	2	GLU	C	C	178.031	0.300	1
5	1	2	GLU	CA	C	58.233	0.300	1
6	1	3	THR	HA	H	4.319	0.030	1
7	1	3	THR	HB	H	4.272	0.030	1
8	1	3	THR	HG21	H	1.234	0.030	1
9	1	3	THR	HG22	H	1.234	0.030	1
10	1	3	THR	HG23	H	1.234	0.030	1
11	1	3	THR	CA	C	62.250	0.300	1
12	1	3	THR	CB	C	69.796	0.300	1
13	1	3	THR	CG2	C	21.787	0.300	1
14	1	4	LYS	H	H	8.001	0.030	1
15	1	4	LYS	HA	H	4.137	0.030	1
16	1	4	LYS	HB2	H	1.806	0.030	1
17	1	4	LYS	HB3	H	1.806	0.030	1
18	1	4	LYS	HG2	H	1.463	0.030	1
19	1	4	LYS	HG3	H	1.463	0.030	1
20	1	4	LYS	C	C	177.653	0.300	1
21	1	4	LYS	CA	C	58.015	0.300	1
22	1	4	LYS	CB	C	32.462	0.300	1
23	1	4	LYS	CG	C	24.742	0.300	1
24	1	4	LYS	CD	C	29.473	0.300	1
25	1	4	LYS	CE	C	43.798	0.300	1
26	1	4	LYS	N	N	119.250	0.300	1
27	1	5	ALA	H	H	8.129	0.030	1
28	1	5	ALA	HA	H	4.184	0.030	1
29	1	5	ALA	HB1	H	1.425	0.030	1
30	1	5	ALA	HB2	H	1.425	0.030	1
31	1	5	ALA	HB3	H	1.425	0.030	1
32	1	5	ALA	C	C	180.158	0.300	1
33	1	5	ALA	CA	C	54.031	0.300	1
34	1	5	ALA	CB	C	18.253	0.300	1
35	1	5	ALA	N	N	122.951	0.300	1
36	1	6	LYS	HA	H	4.143	0.030	1
37	1	6	LYS	HB2	H	1.961	0.030	1
38	1	6	LYS	HB3	H	1.961	0.030	1
39	1	6	LYS	HG2	H	1.484	0.030	1
40	1	6	LYS	HG3	H	1.484	0.030	1
41	1	6	LYS	C	C	177.697	0.300	1
42	1	6	LYS	CB	C	32.408	0.300	1
43	1	6	LYS	CG	C	25.317	0.300	1
44	1	6	LYS	CD	C	29.358	0.300	1
45	1	6	LYS	CE	C	42.151	0.300	1
46	1	6	LYS	N	N	122.025	0.300	1
47	1	7	ALA	H	H	8.031	0.030	1
48	1	7	ALA	HA	H	4.181	0.030	1
49	1	7	ALA	C	C	180.057	0.300	1
50	1	7	ALA	CA	C	54.567	0.300	1
51	1	7	ALA	CB	C	18.317	0.300	1
52	1	7	ALA	N	N	122.026	0.300	1
53	1	8	ALA	H	H	7.971	0.030	1
54	1	8	ALA	HA	H	4.019	0.030	1
55	1	8	ALA	HB1	H	1.297	0.030	1
56	1	8	ALA	HB2	H	1.297	0.030	1
57	1	8	ALA	HB3	H	1.297	0.030	1
58	1	8	ALA	C	C	178.722	0.300	1
59	1	8	ALA	CA	C	54.913	0.300	1
60	1	8	ALA	CB	C	18.539	0.300	1
61	1	8	ALA	N	N	120.501	0.300	1
62	1	9	GLN	H	H	8.109	0.030	1
63	1	9	GLN	HA	H	4.019	0.030	1
64	1	9	GLN	HB2	H	2.122	0.030	1
65	1	9	GLN	HB3	H	2.122	0.030	1
66	1	9	GLN	HG2	H	2.411	0.030	1
67	1	9	GLN	HG3	H	2.411	0.030	1
68	1	9	GLN	HE21	H	6.798	0.030	2
69	1	9	GLN	HE22	H	7.645	0.030	2
70	1	9	GLN	C	C	178.615	0.300	1
71	1	9	GLN	CA	C	58.473	0.300	1
72	1	9	GLN	CB	C	28.500	0.300	1
73	1	9	GLN	CG	C	34.027	0.300	1
74	1	9	GLN	N	N	116.929	0.300	1
75	1	9	GLN	NE2	N	111.884	0.300	1
76	1	10	GLU	H	H	8.170	0.030	1
77	1	10	GLU	HA	H	4.100	0.030	1
78	1	10	GLU	HB2	H	2.039	0.030	1
79	1	10	GLU	HB3	H	2.039	0.030	1
80	1	10	GLU	HG2	H	2.308	0.030	1
81	1	10	GLU	HG3	H	2.308	0.030	1
82	1	10	GLU	C	C	178.388	0.300	1
83	1	10	GLU	CA	C	58.590	0.300	1
84	1	10	GLU	CB	C	29.336	0.300	1
85	1	10	GLU	CG	C	36.373	0.300	1
86	1	10	GLU	N	N	120.385	0.300	1
87	1	11	ALA	H	H	8.006	0.030	1
88	1	11	ALA	HA	H	4.070	0.030	1
89	1	11	ALA	HB1	H	1.476	0.030	1
90	1	11	ALA	HB2	H	1.476	0.030	1
91	1	11	ALA	HB3	H	1.476	0.030	1
92	1	11	ALA	C	C	179.564	0.300	1
93	1	11	ALA	CA	C	54.710	0.300	1
94	1	11	ALA	CB	C	18.150	0.300	1
95	1	11	ALA	N	N	123.321	0.300	1
96	1	12	LEU	H	H	7.965	0.030	1
97	1	12	LEU	HA	H	4.058	0.030	1
98	1	12	LEU	HB2	H	1.682	0.030	1
99	1	12	LEU	HB3	H	1.682	0.030	1
100	1	12	LEU	HD11	H	0.821	0.030	2
101	1	12	LEU	HD12	H	0.821	0.030	2
102	1	12	LEU	HD13	H	0.821	0.030	2
103	1	12	LEU	HD21	H	0.856	0.030	2
104	1	12	LEU	HD22	H	0.856	0.030	2
105	1	12	LEU	HD23	H	0.856	0.030	2
106	1	12	LEU	C	C	178.291	0.300	1
107	1	12	LEU	CA	C	57.088	0.300	1
108	1	12	LEU	CB	C	41.616	0.300	1
109	1	12	LEU	CG	C	25.193	0.300	1
110	1	12	LEU	CD1	C	24.170	0.300	2
111	1	12	LEU	CD2	C	25.523	0.300	2
112	1	12	LEU	N	N	118.532	0.300	1
113	1	13	ARG	H	H	7.917	0.030	1
114	1	13	ARG	HA	H	3.928	0.030	1
115	1	13	ARG	HB2	H	1.906	0.030	1
116	1	13	ARG	HB3	H	1.906	0.030	1
117	1	13	ARG	HG2	H	1.554	0.030	2
118	1	13	ARG	HG3	H	1.696	0.030	2
119	1	13	ARG	C	C	178.216	0.300	1
120	1	13	ARG	CA	C	59.683	0.300	1
121	1	13	ARG	CB	C	29.762	0.300	1
122	1	13	ARG	CG	C	26.954	0.300	1
123	1	13	ARG	CD	C	43.413	0.300	1
124	1	13	ARG	N	N	120.413	0.300	1
125	1	14	ALA	H	H	8.026	0.030	1
126	1	14	ALA	HA	H	4.073	0.030	1
127	1	14	ALA	HB1	H	1.310	0.030	1
128	1	14	ALA	HB2	H	1.310	0.030	1
129	1	14	ALA	HB3	H	1.310	0.030	1
130	1	14	ALA	C	C	180.083	0.300	1
131	1	14	ALA	CA	C	54.692	0.300	1
132	1	14	ALA	CB	C	18.045	0.300	1
133	1	14	ALA	N	N	121.391	0.300	1
134	1	15	ALA	H	H	7.978	0.030	1
135	1	15	ALA	HA	H	3.989	0.030	1
136	1	15	ALA	HB1	H	1.335	0.030	1
137	1	15	ALA	HB2	H	1.335	0.030	1
138	1	15	ALA	HB3	H	1.335	0.030	1
139	1	15	ALA	C	C	178.908	0.300	1
140	1	15	ALA	CA	C	54.912	0.300	1
141	1	15	ALA	CB	C	17.994	0.300	1
142	1	15	ALA	N	N	120.605	0.300	1
143	1	16	ARG	H	H	8.182	0.030	1
144	1	16	ARG	HA	H	3.818	0.030	1
145	1	16	ARG	HB2	H	1.900	0.030	1
146	1	16	ARG	HB3	H	1.900	0.030	1
147	1	16	ARG	HG2	H	1.682	0.030	1
148	1	16	ARG	HG3	H	1.682	0.030	1
149	1	16	ARG	HD2	H	3.138	0.030	1
150	1	16	ARG	HD3	H	3.138	0.030	1
151	1	16	ARG	C	C	178.819	0.300	1
152	1	16	ARG	CA	C	59.213	0.300	1
153	1	16	ARG	CB	C	29.816	0.300	1
154	1	16	ARG	CG	C	27.786	0.300	1
155	1	16	ARG	CD	C	43.457	0.300	1
156	1	16	ARG	N	N	117.552	0.300	1
157	1	17	GLU	H	H	7.923	0.030	1
158	1	17	GLU	HA	H	4.021	0.030	1
159	1	17	GLU	HB2	H	2.075	0.030	1
160	1	17	GLU	HB3	H	2.075	0.030	1
161	1	17	GLU	HG2	H	2.442	0.030	1
162	1	17	GLU	HG3	H	2.442	0.030	1
163	1	17	GLU	C	C	177.735	0.300	1
164	1	17	GLU	CA	C	58.487	0.300	1
165	1	17	GLU	CB	C	29.642	0.300	1
166	1	17	GLU	CG	C	36.648	0.300	1
167	1	17	GLU	N	N	118.000	0.300	1
168	1	18	GLN	H	H	7.504	0.030	1
169	1	18	GLN	HA	H	4.267	0.030	1
170	1	18	GLN	HB2	H	2.010	0.030	2
171	1	18	GLN	HB3	H	2.265	0.030	2
172	1	18	GLN	HG2	H	2.417	0.030	1
173	1	18	GLN	HG3	H	2.417	0.030	1
174	1	18	GLN	HE21	H	6.674	0.030	2
175	1	18	GLN	HE22	H	7.424	0.030	2
176	1	18	GLN	C	C	175.611	0.300	1
177	1	18	GLN	CA	C	55.605	0.300	1
178	1	18	GLN	CB	C	29.658	0.300	1
179	1	18	GLN	CG	C	34.093	0.300	1
180	1	18	GLN	N	N	115.619	0.300	1
181	1	18	GLN	NE2	N	111.206	0.300	1
182	1	19	ALA	H	H	7.513	0.030	1
183	1	19	ALA	HA	H	4.398	0.030	1
184	1	19	ALA	HB1	H	1.335	0.030	1
185	1	19	ALA	HB2	H	1.335	0.030	1
186	1	19	ALA	HB3	H	1.335	0.030	1
187	1	19	ALA	C	C	177.134	0.300	1
188	1	19	ALA	CA	C	51.780	0.300	1
189	1	19	ALA	CB	C	17.941	0.300	1
190	1	19	ALA	N	N	124.078	0.300	1
191	1	20	THR	H	H	8.143	0.030	1
192	1	20	THR	HA	H	4.310	0.030	1
193	1	20	THR	HB	H	4.417	0.030	1
194	1	20	THR	HG21	H	1.209	0.030	1
195	1	20	THR	HG22	H	1.209	0.030	1
196	1	20	THR	HG23	H	1.209	0.030	1
197	1	20	THR	C	C	174.958	0.300	1
198	1	20	THR	CA	C	62.980	0.300	1
199	1	20	THR	CB	C	69.372	0.300	1
200	1	20	THR	CG2	C	21.951	0.300	1
201	1	20	THR	N	N	111.977	0.300	1
202	1	21	THR	H	H	7.500	0.030	1
203	1	21	THR	HA	H	4.895	0.030	1
204	1	21	THR	HB	H	4.617	0.030	1
205	1	21	THR	HG1	H	4.313	0.030	1
206	1	21	THR	HG21	H	1.290	0.030	1
207	1	21	THR	HG22	H	1.290	0.030	1
208	1	21	THR	HG23	H	1.290	0.030	1
209	1	21	THR	C	C	173.376	0.300	1
210	1	21	THR	CA	C	58.429	0.300	1
211	1	21	THR	CB	C	69.499	0.300	1
212	1	21	THR	CG2	C	22.363	0.300	1
213	1	21	THR	N	N	111.795	0.300	1
214	1	22	PRO	HA	H	4.310	0.030	1
215	1	22	PRO	HB2	H	1.947	0.030	2
216	1	22	PRO	HB3	H	2.389	0.030	2
217	1	22	PRO	HG2	H	2.057	0.030	1
218	1	22	PRO	HG3	H	2.057	0.030	1
219	1	22	PRO	HD2	H	3.926	0.030	1
220	1	22	PRO	HD3	H	3.926	0.030	1
221	1	22	PRO	C	C	179.420	0.300	1
222	1	22	PRO	CA	C	65.158	0.300	1
223	1	22	PRO	CB	C	31.930	0.300	1
224	1	22	PRO	CG	C	27.893	0.300	1
225	1	22	PRO	CD	C	50.774	0.300	1
226	1	23	GLU	H	H	8.936	0.030	1
227	1	23	GLU	HA	H	4.018	0.030	1
228	1	23	GLU	HB2	H	1.917	0.030	2
229	1	23	GLU	HB3	H	2.053	0.030	2
230	1	23	GLU	HG2	H	2.432	0.030	1
231	1	23	GLU	HG3	H	2.432	0.030	1
232	1	23	GLU	C	C	179.210	0.300	1
233	1	23	GLU	CA	C	60.242	0.300	1
234	1	23	GLU	CB	C	28.738	0.300	1
235	1	23	GLU	CG	C	36.943	0.300	1
236	1	23	GLU	N	N	116.890	0.300	1
237	1	24	ALA	H	H	7.850	0.030	1
238	1	24	ALA	HA	H	3.989	0.030	1
239	1	24	ALA	HB1	H	1.432	0.030	1
240	1	24	ALA	HB2	H	1.432	0.030	1
241	1	24	ALA	HB3	H	1.432	0.030	1
242	1	24	ALA	C	C	178.961	0.300	1
243	1	24	ALA	CA	C	55.050	0.300	1
244	1	24	ALA	CB	C	18.751	0.300	1
245	1	24	ALA	N	N	122.560	0.300	1
246	1	25	GLN	H	H	8.050	0.030	1
247	1	25	GLN	HA	H	3.819	0.030	1
248	1	25	GLN	HB2	H	2.096	0.030	2
249	1	25	GLN	HB3	H	2.200	0.030	2
250	1	25	GLN	HG2	H	2.403	0.030	2
251	1	25	GLN	HG3	H	2.486	0.030	2
252	1	25	GLN	HE21	H	6.716	0.030	2
253	1	25	GLN	HE22	H	7.381	0.030	2
254	1	25	GLN	C	C	178.833	0.300	1
255	1	25	GLN	CA	C	59.632	0.300	1
256	1	25	GLN	CB	C	28.014	0.300	1
257	1	25	GLN	CG	C	34.073	0.300	1
258	1	25	GLN	N	N	116.921	0.300	1
259	1	25	GLN	NE2	N	110.767	0.300	1
260	1	26	LYS	H	H	8.223	0.030	1
261	1	26	LYS	HA	H	4.115	0.030	1
262	1	26	LYS	HB2	H	1.894	0.030	1
263	1	26	LYS	HB3	H	1.894	0.030	1
264	1	26	LYS	HG2	H	1.523	0.030	1
265	1	26	LYS	HG3	H	1.523	0.030	1
266	1	26	LYS	HD2	H	1.527	0.030	1
267	1	26	LYS	HD3	H	1.527	0.030	1
268	1	26	LYS	C	C	178.835	0.300	1
269	1	26	LYS	CA	C	58.773	0.300	1
270	1	26	LYS	CB	C	32.237	0.300	1
271	1	26	LYS	CG	C	24.970	0.300	1
272	1	26	LYS	CD	C	28.823	0.300	1
273	1	26	LYS	CE	C	43.446	0.300	1
274	1	26	LYS	N	N	119.059	0.300	1
275	1	27	ALA	H	H	7.837	0.030	1
276	1	27	ALA	HA	H	4.112	0.030	1
277	1	27	ALA	HB1	H	1.456	0.030	1
278	1	27	ALA	HB2	H	1.456	0.030	1
279	1	27	ALA	HB3	H	1.456	0.030	1
280	1	27	ALA	C	C	179.690	0.300	1
281	1	27	ALA	CA	C	55.011	0.300	1
282	1	27	ALA	CB	C	18.175	0.300	1
283	1	27	ALA	N	N	121.176	0.300	1
284	1	28	LEU	H	H	8.067	0.030	1
285	1	28	LEU	HA	H	4.065	0.030	1
286	1	28	LEU	HB2	H	1.798	0.030	1
287	1	28	LEU	HB3	H	1.798	0.030	1
288	1	28	LEU	HD11	H	0.792	0.030	2
289	1	28	LEU	HD12	H	0.792	0.030	2
290	1	28	LEU	HD13	H	0.792	0.030	2
291	1	28	LEU	HD21	H	0.822	0.030	2
292	1	28	LEU	HD22	H	0.822	0.030	2
293	1	28	LEU	HD23	H	0.822	0.030	2
294	1	28	LEU	C	C	178.496	0.300	1
295	1	28	LEU	CA	C	58.044	0.300	1
296	1	28	LEU	CB	C	41.699	0.300	1
297	1	28	LEU	CG	C	27.274	0.300	1
298	1	28	LEU	CD1	C	24.414	0.300	2
299	1	28	LEU	CD2	C	25.081	0.300	2
300	1	28	LEU	N	N	118.027	0.300	1
301	1	29	GLU	H	H	8.094	0.030	1
302	1	29	GLU	HA	H	4.157	0.030	1
303	1	29	GLU	HB2	H	2.117	0.030	1
304	1	29	GLU	HB3	H	2.117	0.030	1
305	1	29	GLU	HG2	H	2.445	0.030	1
306	1	29	GLU	HG3	H	2.445	0.030	1
307	1	29	GLU	C	C	177.926	0.300	1
308	1	29	GLU	CA	C	58.231	0.300	1
309	1	29	GLU	CB	C	29.598	0.300	1
310	1	29	GLU	CG	C	36.582	0.300	1
311	1	29	GLU	N	N	120.220	0.300	1
312	1	30	GLU	H	H	8.039	0.030	1
313	1	30	GLU	HA	H	4.157	0.030	1
314	1	30	GLU	HB2	H	2.113	0.030	1
315	1	30	GLU	HB3	H	2.113	0.030	1
316	1	30	GLU	HG2	H	2.318	0.030	1
317	1	30	GLU	HG3	H	2.318	0.030	1
318	1	30	GLU	C	C	179.264	0.300	1
319	1	30	GLU	CA	C	58.160	0.300	1
320	1	30	GLU	CB	C	29.606	0.300	1
321	1	30	GLU	CG	C	36.264	0.300	1
322	1	30	GLU	N	N	120.217	0.300	1
323	1	31	LEU	H	H	8.049	0.030	1
324	1	31	LEU	HA	H	4.021	0.030	1
325	1	31	LEU	HB2	H	1.603	0.030	2
326	1	31	LEU	HB3	H	1.893	0.030	2
327	1	31	LEU	HD11	H	0.723	0.030	2
328	1	31	LEU	HD12	H	0.723	0.030	2
329	1	31	LEU	HD13	H	0.723	0.030	2
330	1	31	LEU	HD21	H	0.734	0.030	2
331	1	31	LEU	HD22	H	0.734	0.030	2
332	1	31	LEU	HD23	H	0.734	0.030	2
333	1	31	LEU	C	C	178.248	0.300	1
334	1	31	LEU	CA	C	57.758	0.300	1
335	1	31	LEU	CB	C	41.779	0.300	1
336	1	31	LEU	CG	C	26.954	0.300	1
337	1	31	LEU	CD1	C	23.890	0.300	2
338	1	31	LEU	CD2	C	25.667	0.300	2
339	1	31	LEU	N	N	120.113	0.300	1
340	1	32	GLU	H	H	8.529	0.030	1
341	1	32	GLU	HA	H	3.651	0.030	1
342	1	32	GLU	HB2	H	2.109	0.030	1
343	1	32	GLU	HB3	H	2.109	0.030	1
344	1	32	GLU	HG2	H	2.099	0.030	2
345	1	32	GLU	HG3	H	2.313	0.030	2
346	1	32	GLU	C	C	178.250	0.300	1
347	1	32	GLU	CA	C	60.412	0.300	1
348	1	32	GLU	CB	C	29.623	0.300	1
349	1	32	GLU	CG	C	37.175	0.300	1
350	1	32	GLU	N	N	119.311	0.300	1
351	1	33	LYS	H	H	7.562	0.030	1
352	1	33	LYS	HA	H	3.928	0.030	1
353	1	33	LYS	HB2	H	1.959	0.030	1
354	1	33	LYS	HB3	H	1.959	0.030	1
355	1	33	LYS	HG2	H	1.412	0.030	2
356	1	33	LYS	HG3	H	1.653	0.030	2
357	1	33	LYS	C	C	179.237	0.300	1
358	1	33	LYS	CA	C	59.739	0.300	1
359	1	33	LYS	CB	C	32.277	0.300	1
360	1	33	LYS	CG	C	25.481	0.300	1
361	1	33	LYS	CD	C	29.380	0.300	1
362	1	33	LYS	CE	C	42.175	0.300	1
363	1	33	LYS	N	N	116.771	0.300	1
364	1	34	VAL	H	H	7.566	0.030	1
365	1	34	VAL	HA	H	3.913	0.030	1
366	1	34	VAL	HB	H	2.214	0.030	1
367	1	34	VAL	HG11	H	0.880	0.030	2
368	1	34	VAL	HG12	H	0.880	0.030	2
369	1	34	VAL	HG13	H	0.880	0.030	2
370	1	34	VAL	HG21	H	1.071	0.030	2
371	1	34	VAL	HG22	H	1.071	0.030	2
372	1	34	VAL	HG23	H	1.071	0.030	2
373	1	34	VAL	C	C	178.157	0.300	1
374	1	34	VAL	CA	C	64.821	0.300	1
375	1	34	VAL	CB	C	32.031	0.300	1
376	1	34	VAL	CG1	C	21.628	0.300	2
377	1	34	VAL	CG2	C	22.190	0.300	2
378	1	34	VAL	N	N	117.168	0.300	1
379	1	35	LEU	H	H	8.004	0.030	1
380	1	35	LEU	HA	H	3.967	0.030	1
381	1	35	LEU	HB2	H	1.258	0.030	2
382	1	35	LEU	HB3	H	1.575	0.030	2
383	1	35	LEU	HG	H	1.585	0.030	1
384	1	35	LEU	HD11	H	0.535	0.030	2
385	1	35	LEU	HD12	H	0.535	0.030	2
386	1	35	LEU	HD13	H	0.535	0.030	2
387	1	35	LEU	HD21	H	0.472	0.030	2
388	1	35	LEU	HD22	H	0.472	0.030	2
389	1	35	LEU	HD23	H	0.472	0.030	2
390	1	35	LEU	C	C	177.666	0.300	1
391	1	35	LEU	CA	C	56.811	0.300	1
392	1	35	LEU	CB	C	41.364	0.300	1
393	1	35	LEU	CG	C	26.626	0.300	1
394	1	35	LEU	CD1	C	25.199	0.300	2
395	1	35	LEU	CD2	C	22.770	0.300	2
396	1	35	LEU	N	N	119.868	0.300	1
397	1	36	LYS	H	H	7.669	0.030	1
398	1	36	LYS	HA	H	3.941	0.030	1
399	1	36	LYS	HB2	H	1.781	0.030	1
400	1	36	LYS	HB3	H	1.781	0.030	1
401	1	36	LYS	HG2	H	1.383	0.030	1
402	1	36	LYS	HG3	H	1.383	0.030	1
403	1	36	LYS	HD2	H	1.609	0.030	1
404	1	36	LYS	HD3	H	1.609	0.030	1
405	1	36	LYS	C	C	177.599	0.300	1
406	1	36	LYS	CA	C	58.869	0.300	1
407	1	36	LYS	CB	C	32.625	0.300	1
408	1	36	LYS	CG	C	25.096	0.300	1
409	1	36	LYS	CD	C	29.451	0.300	1
410	1	36	LYS	CE	C	42.032	0.300	1
411	1	36	LYS	N	N	116.945	0.300	1
412	1	37	THR	H	H	7.475	0.030	1
413	1	37	THR	HA	H	4.390	0.030	1
414	1	37	THR	HB	H	4.469	0.030	1
415	1	37	THR	HG21	H	1.245	0.030	1
416	1	37	THR	HG22	H	1.245	0.030	1
417	1	37	THR	HG23	H	1.245	0.030	1
418	1	37	THR	C	C	174.415	0.300	1
419	1	37	THR	CA	C	61.811	0.300	1
420	1	37	THR	CB	C	69.445	0.300	1
421	1	37	THR	CG2	C	21.762	0.300	1
422	1	37	THR	N	N	107.851	0.300	1
423	1	38	ALA	H	H	7.601	0.030	1
424	1	38	ALA	HA	H	4.501	0.030	1
425	1	38	ALA	HB1	H	1.495	0.030	1
426	1	38	ALA	HB2	H	1.495	0.030	1
427	1	38	ALA	HB3	H	1.495	0.030	1
428	1	38	ALA	C	C	177.183	0.300	1
429	1	38	ALA	CA	C	51.998	0.300	1
430	1	38	ALA	CB	C	19.611	0.300	1
431	1	38	ALA	N	N	125.399	0.300	1
432	1	39	SER	H	H	8.571	0.030	1
433	1	39	SER	HA	H	4.824	0.030	1
434	1	39	SER	HB2	H	4.065	0.030	1
435	1	39	SER	HB3	H	4.065	0.030	1
436	1	39	SER	C	C	177.183	0.300	1
437	1	39	SER	CA	C	56.826	0.300	1
438	1	39	SER	CB	C	62.961	0.300	1
439	1	39	SER	N	N	117.020	0.300	1
440	1	40	PRO	HA	H	4.249	0.030	1
441	1	40	PRO	HB2	H	1.967	0.030	2
442	1	40	PRO	HB3	H	2.343	0.030	2
443	1	40	PRO	HG2	H	2.232	0.030	1
444	1	40	PRO	HG3	H	2.232	0.030	1
445	1	40	PRO	HD2	H	3.956	0.030	1
446	1	40	PRO	HD3	H	3.956	0.030	1
447	1	40	PRO	C	C	178.875	0.300	1
448	1	40	PRO	CA	C	66.208	0.300	1
449	1	40	PRO	CB	C	32.120	0.300	1
450	1	40	PRO	CG	C	27.921	0.300	1
451	1	40	PRO	CD	C	50.461	0.300	1
452	1	41	GLU	H	H	8.649	0.030	1
453	1	41	GLU	HA	H	4.189	0.030	1
454	1	41	GLU	HB2	H	1.962	0.030	2
455	1	41	GLU	HB3	H	2.068	0.030	2
456	1	41	GLU	HG2	H	1.974	0.030	1
457	1	41	GLU	HG3	H	1.974	0.030	1
458	1	41	GLU	C	C	178.750	0.300	1
459	1	41	GLU	CA	C	59.367	0.300	1
460	1	41	GLU	CB	C	29.280	0.300	1
461	1	41	GLU	N	N	116.969	0.300	1
462	1	42	GLN	H	H	7.742	0.030	1
463	1	42	GLN	HA	H	4.095	0.030	1
464	1	42	GLN	HB2	H	2.028	0.030	2
465	1	42	GLN	HB3	H	2.430	0.030	2
466	1	42	GLN	HG2	H	2.451	0.030	1
467	1	42	GLN	HG3	H	2.451	0.030	1
468	1	42	GLN	HE21	H	6.899	0.030	2
469	1	42	GLN	HE22	H	7.516	0.030	2
470	1	42	GLN	C	C	178.030	0.300	1
471	1	42	GLN	CA	C	58.673	0.300	1
472	1	42	GLN	CB	C	29.572	0.300	1
473	1	42	GLN	CG	C	35.026	0.300	1
474	1	42	GLN	N	N	119.203	0.300	1
475	1	42	GLN	NE2	N	111.479	0.300	1
476	1	43	TRP	H	H	8.462	0.030	1
477	1	43	TRP	HA	H	4.342	0.030	1
478	1	43	TRP	HB2	H	3.297	0.030	1
479	1	43	TRP	HB3	H	3.297	0.030	1
480	1	43	TRP	HD1	H	7.174	0.030	1
481	1	43	TRP	HE1	H	10.031	0.030	1
482	1	43	TRP	HE3	H	7.400	0.030	1
483	1	43	TRP	HZ2	H	7.377	0.030	1
484	1	43	TRP	HZ3	H	6.874	0.030	1
485	1	43	TRP	HH2	H	7.030	0.030	1
486	1	43	TRP	C	C	177.252	0.300	1
487	1	43	TRP	CA	C	60.148	0.300	1
488	1	43	TRP	CB	C	29.707	0.300	1
489	1	43	TRP	CD1	C	127.146	0.300	1
490	1	43	TRP	CE3	C	120.909	0.300	1
491	1	43	TRP	CZ2	C	114.555	0.300	1
492	1	43	TRP	CZ3	C	121.247	0.300	1
493	1	43	TRP	CH2	C	123.849	0.300	1
494	1	43	TRP	N	N	118.512	0.300	1
495	1	43	TRP	NE1	N	128.625	0.300	1
496	1	44	ARG	H	H	8.099	0.030	1
497	1	44	ARG	HA	H	3.652	0.030	1
498	1	44	ARG	HB2	H	1.881	0.030	1
499	1	44	ARG	HB3	H	1.881	0.030	1
500	1	44	ARG	C	C	178.570	0.300	1
501	1	44	ARG	CA	C	60.343	0.300	1
502	1	44	ARG	CB	C	29.745	0.300	1
503	1	44	ARG	CG	C	29.658	0.300	1
504	1	44	ARG	N	N	118.460	0.300	1
505	1	45	GLN	H	H	7.970	0.030	1
506	1	45	GLN	HA	H	4.091	0.030	1
507	1	45	GLN	HB2	H	2.090	0.030	1
508	1	45	GLN	HB3	H	2.090	0.030	1
509	1	45	GLN	HG2	H	2.359	0.030	2
510	1	45	GLN	HG3	H	2.571	0.030	2
511	1	45	GLN	HE21	H	6.804	0.030	2
512	1	45	GLN	HE22	H	7.488	0.030	2
513	1	45	GLN	C	C	178.575	0.300	1
514	1	45	GLN	CA	C	58.663	0.300	1
515	1	45	GLN	CB	C	29.066	0.300	1
516	1	45	GLN	CG	C	34.305	0.300	1
517	1	45	GLN	N	N	116.693	0.300	1
518	1	45	GLN	NE2	N	111.202	0.300	1
519	1	46	ALA	H	H	8.293	0.030	1
520	1	46	ALA	HA	H	4.070	0.030	1
521	1	46	ALA	HB1	H	1.390	0.030	1
522	1	46	ALA	HB2	H	1.390	0.030	1
523	1	46	ALA	HB3	H	1.390	0.030	1
524	1	46	ALA	C	C	178.662	0.300	1
525	1	46	ALA	CA	C	54.746	0.300	1
526	1	46	ALA	CB	C	19.027	0.300	1
527	1	46	ALA	N	N	121.519	0.300	1
528	1	47	ALA	H	H	8.463	0.030	1
529	1	47	ALA	HA	H	3.581	0.030	1
530	1	47	ALA	HB1	H	1.091	0.030	1
531	1	47	ALA	HB2	H	1.091	0.030	1
532	1	47	ALA	HB3	H	1.091	0.030	1
533	1	47	ALA	C	C	178.862	0.300	1
534	1	47	ALA	CA	C	55.789	0.300	1
535	1	47	ALA	CB	C	18.124	0.300	1
536	1	47	ALA	N	N	119.592	0.300	1
537	1	48	GLU	H	H	7.921	0.030	1
538	1	48	GLU	HA	H	3.989	0.030	1
539	1	48	GLU	HB2	H	2.113	0.030	1
540	1	48	GLU	HB3	H	2.113	0.030	1
541	1	48	GLU	HG2	H	2.448	0.030	1
542	1	48	GLU	HG3	H	2.448	0.030	1
543	1	48	GLU	C	C	179.513	0.300	1
544	1	48	GLU	CA	C	59.923	0.300	1
545	1	48	GLU	CB	C	29.635	0.300	1
546	1	48	GLU	CG	C	36.627	0.300	1
547	1	48	GLU	N	N	115.530	0.300	1
548	1	49	LYS	H	H	7.511	0.030	1
549	1	49	LYS	HA	H	4.200	0.030	1
550	1	49	LYS	HB2	H	1.880	0.030	1
551	1	49	LYS	HB3	H	1.880	0.030	1
552	1	49	LYS	HG2	H	1.563	0.030	1
553	1	49	LYS	HG3	H	1.563	0.030	1
554	1	49	LYS	HD2	H	1.537	0.030	2
555	1	49	LYS	HD3	H	1.808	0.030	2
556	1	49	LYS	C	C	178.386	0.300	1
557	1	49	LYS	CA	C	58.699	0.300	1
558	1	49	LYS	CB	C	32.488	0.300	1
559	1	49	LYS	CG	C	25.839	0.300	1
560	1	49	LYS	CD	C	27.124	0.300	1
561	1	49	LYS	CE	C	42.167	0.300	1
562	1	49	LYS	N	N	118.619	0.300	1
563	1	50	ILE	H	H	8.226	0.030	1
564	1	50	ILE	HA	H	3.528	0.030	1
565	1	50	ILE	HB	H	1.806	0.030	1
566	1	50	ILE	HG12	H	0.822	0.030	2
567	1	50	ILE	HG13	H	1.624	0.030	2
568	1	50	ILE	HG21	H	0.658	0.030	1
569	1	50	ILE	HG22	H	0.658	0.030	1
570	1	50	ILE	HG23	H	0.658	0.030	1
571	1	50	ILE	HD11	H	0.642	0.030	1
572	1	50	ILE	HD12	H	0.642	0.030	1
573	1	50	ILE	HD13	H	0.642	0.030	1
574	1	50	ILE	C	C	177.373	0.300	1
575	1	50	ILE	CA	C	64.980	0.300	1
576	1	50	ILE	CB	C	37.068	0.300	1
577	1	50	ILE	CG1	C	29.343	0.300	1
578	1	50	ILE	CG2	C	17.908	0.300	1
579	1	50	ILE	CD1	C	13.477	0.300	1
580	1	50	ILE	N	N	120.123	0.300	1
581	1	51	PHE	H	H	8.265	0.030	1
582	1	51	PHE	HA	H	4.254	0.030	1
583	1	51	PHE	HB2	H	3.227	0.030	2
584	1	51	PHE	HB3	H	3.297	0.030	2
585	1	51	PHE	HD1	H	7.214	0.030	1
586	1	51	PHE	HD2	H	7.214	0.030	1
587	1	51	PHE	HE1	H	7.249	0.030	1
588	1	51	PHE	HE2	H	7.249	0.030	1
589	1	51	PHE	HZ	H	7.251	0.030	1
590	1	51	PHE	C	C	178.344	0.300	1
591	1	51	PHE	CA	C	61.382	0.300	1
592	1	51	PHE	CB	C	38.016	0.300	1
593	1	51	PHE	CD1	C	131.516	0.300	1
594	1	51	PHE	CD2	C	131.516	0.300	1
595	1	51	PHE	CE1	C	131.258	0.300	1
596	1	51	PHE	CE2	C	131.258	0.300	1
597	1	51	PHE	CZ	C	129.891	0.300	1
598	1	51	PHE	N	N	119.248	0.300	1
599	1	52	GLU	H	H	8.154	0.030	1
600	1	52	GLU	HA	H	3.888	0.030	1
601	1	52	GLU	HB2	H	2.201	0.030	1
602	1	52	GLU	HB3	H	2.201	0.030	1
603	1	52	GLU	HG2	H	2.483	0.030	1
604	1	52	GLU	HG3	H	2.483	0.030	1
605	1	52	GLU	C	C	178.249	0.300	1
606	1	52	GLU	CA	C	59.495	0.300	1
607	1	52	GLU	CB	C	29.659	0.300	1
608	1	52	GLU	CG	C	36.474	0.300	1
609	1	52	GLU	N	N	120.338	0.300	1
610	1	53	ALA	H	H	8.591	0.030	1
611	1	53	ALA	HA	H	3.882	0.030	1
612	1	53	ALA	HB1	H	1.542	0.030	1
613	1	53	ALA	HB2	H	1.542	0.030	1
614	1	53	ALA	HB3	H	1.542	0.030	1
615	1	53	ALA	C	C	179.644	0.300	1
616	1	53	ALA	CA	C	55.861	0.300	1
617	1	53	ALA	CB	C	18.275	0.300	1
618	1	53	ALA	N	N	122.560	0.300	1
619	1	54	PHE	H	H	8.274	0.030	1
620	1	54	PHE	HA	H	4.045	0.030	1
621	1	54	PHE	HB2	H	3.066	0.030	2
622	1	54	PHE	HB3	H	3.173	0.030	2
623	1	54	PHE	HD1	H	7.316	0.030	1
624	1	54	PHE	HD2	H	7.316	0.030	1
625	1	54	PHE	HE1	H	7.039	0.030	1
626	1	54	PHE	HE2	H	7.039	0.030	1
627	1	54	PHE	HZ	H	6.999	0.030	1
628	1	54	PHE	C	C	178.522	0.300	1
629	1	54	PHE	CA	C	61.493	0.300	1
630	1	54	PHE	CB	C	38.177	0.300	1
631	1	54	PHE	CD1	C	131.200	0.300	1
632	1	54	PHE	CD2	C	131.200	0.300	1
633	1	54	PHE	CE1	C	130.480	0.300	1
634	1	54	PHE	CE2	C	130.480	0.300	1
635	1	54	PHE	CZ	C	128.640	0.300	1
636	1	54	PHE	N	N	116.640	0.300	1
637	1	55	ARG	H	H	8.094	0.030	1
638	1	55	ARG	HA	H	3.950	0.030	1
639	1	55	ARG	HB2	H	1.771	0.030	2
640	1	55	ARG	HB3	H	1.894	0.030	2
641	1	55	ARG	HG2	H	1.408	0.030	2
642	1	55	ARG	HG3	H	1.629	0.030	2
643	1	55	ARG	C	C	179.698	0.300	1
644	1	55	ARG	CA	C	59.929	0.300	1
645	1	55	ARG	CB	C	29.853	0.300	1
646	1	55	ARG	CG	C	27.117	0.300	1
647	1	55	ARG	N	N	122.039	0.300	1
648	1	56	GLU	H	H	8.610	0.030	1
649	1	56	GLU	HA	H	4.391	0.030	1
650	1	56	GLU	HB2	H	1.830	0.030	2
651	1	56	GLU	HB3	H	2.282	0.030	2
652	1	56	GLU	HG2	H	2.045	0.030	2
653	1	56	GLU	HG3	H	2.466	0.030	2
654	1	56	GLU	C	C	179.903	0.300	1
655	1	56	GLU	CA	C	58.825	0.300	1
656	1	56	GLU	CB	C	28.343	0.300	1
657	1	56	GLU	CG	C	35.334	0.300	1
658	1	56	GLU	N	N	118.790	0.300	1
659	1	57	ALA	H	H	8.639	0.030	1
660	1	57	ALA	HA	H	3.680	0.030	1
661	1	57	ALA	HB1	H	1.423	0.030	1
662	1	57	ALA	HB2	H	1.423	0.030	1
663	1	57	ALA	HB3	H	1.423	0.030	1
664	1	57	ALA	C	C	180.745	0.300	1
665	1	57	ALA	CA	C	55.634	0.300	1
666	1	57	ALA	CB	C	18.616	0.300	1
667	1	57	ALA	N	N	122.230	0.300	1
668	1	58	SER	H	H	8.212	0.030	1
669	1	58	SER	HA	H	4.113	0.030	1
670	1	58	SER	HB2	H	4.047	0.030	1
671	1	58	SER	HB3	H	4.047	0.030	1
672	1	58	SER	C	C	174.841	0.300	1
673	1	58	SER	CA	C	61.792	0.300	1
674	1	58	SER	CB	C	62.927	0.300	1
675	1	58	SER	N	N	114.704	0.300	1
676	1	59	ASN	H	H	7.384	0.030	1
677	1	59	ASN	HA	H	4.862	0.030	1
678	1	59	ASN	HB2	H	2.830	0.030	2
679	1	59	ASN	HB3	H	3.047	0.030	2
680	1	59	ASN	HD21	H	6.790	0.030	2
681	1	59	ASN	HD22	H	7.448	0.030	2
682	1	59	ASN	C	C	175.273	0.300	1
683	1	59	ASN	CA	C	53.107	0.300	1
684	1	59	ASN	CB	C	39.504	0.300	1
685	1	59	ASN	N	N	117.757	0.300	1
686	1	59	ASN	ND2	N	111.865	0.300	1
687	1	60	GLY	H	H	7.997	0.030	1
688	1	60	GLY	HA2	H	3.837	0.030	2
689	1	60	GLY	HA3	H	4.320	0.030	2
690	1	60	GLY	C	C	174.283	0.300	1
691	1	60	GLY	CA	C	45.484	0.300	1
692	1	60	GLY	N	N	107.199	0.300	1
693	1	61	ASN	H	H	8.278	0.030	1
694	1	61	ASN	HA	H	5.156	0.030	1
695	1	61	ASN	HB2	H	2.844	0.030	2
696	1	61	ASN	HB3	H	3.120	0.030	2
697	1	61	ASN	HD21	H	6.896	0.030	2
698	1	61	ASN	HD22	H	7.981	0.030	2
699	1	61	ASN	C	C	175.659	0.300	1
700	1	61	ASN	CA	C	51.215	0.300	1
701	1	61	ASN	CB	C	36.863	0.300	1
702	1	61	ASN	N	N	122.001	0.300	1
703	1	61	ASN	ND2	N	113.961	0.300	1
704	1	62	THR	H	H	7.831	0.030	1
705	1	62	THR	HA	H	3.558	0.030	1
706	1	62	THR	HB	H	4.105	0.030	1
707	1	62	THR	HG21	H	1.182	0.030	1
708	1	62	THR	HG22	H	1.182	0.030	1
709	1	62	THR	HG23	H	1.182	0.030	1
710	1	62	THR	C	C	177.721	0.300	1
711	1	62	THR	CA	C	66.381	0.300	1
712	1	62	THR	CB	C	68.132	0.300	1
713	1	62	THR	CG2	C	23.262	0.300	1
714	1	62	THR	N	N	115.440	0.300	1
715	1	63	GLU	H	H	8.650	0.030	1
716	1	63	GLU	HA	H	4.012	0.030	1
717	1	63	GLU	HB2	H	2.069	0.030	1
718	1	63	GLU	HB3	H	2.069	0.030	1
719	1	63	GLU	HG2	H	2.298	0.030	1
720	1	63	GLU	HG3	H	2.298	0.030	1
721	1	63	GLU	C	C	179.287	0.300	1
722	1	63	GLU	CA	C	59.824	0.300	1
723	1	63	GLU	CB	C	28.869	0.300	1
724	1	63	GLU	CG	C	36.401	0.300	1
725	1	63	GLU	N	N	122.042	0.300	1
726	1	64	LYS	H	H	7.770	0.030	1
727	1	64	LYS	HA	H	3.991	0.030	1
728	1	64	LYS	HB2	H	1.617	0.030	2
729	1	64	LYS	HB3	H	1.779	0.030	2
730	1	64	LYS	HG2	H	1.335	0.030	2
731	1	64	LYS	HG3	H	1.448	0.030	2
732	1	64	LYS	HD2	H	1.617	0.030	2
733	1	64	LYS	HD3	H	1.780	0.030	2
734	1	64	LYS	C	C	178.592	0.300	1
735	1	64	LYS	CA	C	58.874	0.300	1
736	1	64	LYS	CB	C	32.875	0.300	1
737	1	64	LYS	CG	C	25.454	0.300	1
738	1	64	LYS	CD	C	28.885	0.300	1
739	1	64	LYS	CE	C	41.996	0.300	1
740	1	64	LYS	N	N	120.374	0.300	1
741	1	65	ALA	H	H	7.930	0.030	1
742	1	65	ALA	HA	H	3.937	0.030	1
743	1	65	ALA	HB1	H	1.498	0.030	1
744	1	65	ALA	HB2	H	1.498	0.030	1
745	1	65	ALA	HB3	H	1.498	0.030	1
746	1	65	ALA	C	C	178.681	0.300	1
747	1	65	ALA	CA	C	55.797	0.300	1
748	1	65	ALA	CB	C	19.596	0.300	1
749	1	65	ALA	N	N	119.770	0.300	1
750	1	66	LYS	H	H	8.083	0.030	1
751	1	66	LYS	HA	H	3.725	0.030	1
752	1	66	LYS	HB2	H	1.892	0.030	1
753	1	66	LYS	HB3	H	1.892	0.030	1
754	1	66	LYS	HG2	H	1.312	0.030	2
755	1	66	LYS	HG3	H	1.618	0.030	2
756	1	66	LYS	C	C	178.737	0.300	1
757	1	66	LYS	CA	C	60.465	0.300	1
758	1	66	LYS	CB	C	32.360	0.300	1
759	1	66	LYS	CG	C	26.149	0.300	1
760	1	66	LYS	CD	C	29.520	0.300	1
761	1	66	LYS	CE	C	42.033	0.300	1
762	1	66	LYS	N	N	116.065	0.300	1
763	1	67	LYS	H	H	7.557	0.030	1
764	1	67	LYS	HA	H	4.082	0.030	1
765	1	67	LYS	HB2	H	1.946	0.030	1
766	1	67	LYS	HB3	H	1.946	0.030	1
767	1	67	LYS	HG2	H	1.514	0.030	1
768	1	67	LYS	HG3	H	1.514	0.030	1
769	1	67	LYS	C	C	179.634	0.300	1
770	1	67	LYS	CA	C	59.233	0.300	1
771	1	67	LYS	CB	C	32.318	0.300	1
772	1	67	LYS	CG	C	24.840	0.300	1
773	1	67	LYS	CD	C	29.003	0.300	1
774	1	67	LYS	CE	C	42.242	0.300	1
775	1	67	LYS	N	N	119.717	0.300	1
776	1	68	LEU	H	H	8.142	0.030	1
777	1	68	LEU	HA	H	4.079	0.030	1
778	1	68	LEU	HB2	H	1.445	0.030	2
779	1	68	LEU	HB3	H	1.941	0.030	2
780	1	68	LEU	HG	H	1.739	0.030	1
781	1	68	LEU	HD11	H	0.918	0.030	2
782	1	68	LEU	HD12	H	0.918	0.030	2
783	1	68	LEU	HD13	H	0.918	0.030	2
784	1	68	LEU	HD21	H	0.802	0.030	2
785	1	68	LEU	HD22	H	0.802	0.030	2
786	1	68	LEU	HD23	H	0.802	0.030	2
787	1	68	LEU	C	C	179.149	0.300	1
788	1	68	LEU	CA	C	57.993	0.300	1
789	1	68	LEU	CB	C	42.530	0.300	1
790	1	68	LEU	CG	C	27.066	0.300	1
791	1	68	LEU	CD1	C	23.237	0.300	2
792	1	68	LEU	CD2	C	26.240	0.300	2
793	1	68	LEU	N	N	120.997	0.300	1
794	1	69	LEU	H	H	8.121	0.030	1
795	1	69	LEU	HA	H	3.901	0.030	1
796	1	69	LEU	HB2	H	1.691	0.030	1
797	1	69	LEU	HB3	H	1.691	0.030	1
798	1	69	LEU	HD11	H	0.820	0.030	2
799	1	69	LEU	HD12	H	0.820	0.030	2
800	1	69	LEU	HD13	H	0.820	0.030	2
801	1	69	LEU	HD21	H	0.803	0.030	2
802	1	69	LEU	HD22	H	0.803	0.030	2
803	1	69	LEU	HD23	H	0.803	0.030	2
804	1	69	LEU	C	C	178.473	0.300	1
805	1	69	LEU	CA	C	57.821	0.300	1
806	1	69	LEU	CB	C	41.595	0.300	1
807	1	69	LEU	CD1	C	24.977	0.300	2
808	1	69	LEU	CD2	C	24.977	0.300	2
809	1	69	LEU	N	N	119.205	0.300	1
810	1	70	GLU	H	H	8.110	0.030	1
811	1	70	GLU	HA	H	3.826	0.030	1
812	1	70	GLU	HB2	H	2.075	0.030	2
813	1	70	GLU	HB3	H	2.184	0.030	2
814	1	70	GLU	HG2	H	2.470	0.030	1
815	1	70	GLU	HG3	H	2.470	0.030	1
816	1	70	GLU	C	C	179.186	0.300	1
817	1	70	GLU	CA	C	60.080	0.300	1
818	1	70	GLU	CB	C	29.532	0.300	1
819	1	70	GLU	CG	C	36.548	0.300	1
820	1	70	GLU	N	N	119.209	0.300	1
821	1	71	GLU	H	H	8.037	0.030	1
822	1	71	GLU	HA	H	4.021	0.030	1
823	1	71	GLU	HB2	H	2.029	0.030	2
824	1	71	GLU	HB3	H	2.258	0.030	2
825	1	71	GLU	HG2	H	2.199	0.030	1
826	1	71	GLU	HG3	H	2.199	0.030	1
827	1	71	GLU	C	C	179.874	0.300	1
828	1	71	GLU	CA	C	59.558	0.300	1
829	1	71	GLU	CB	C	29.569	0.300	1
830	1	71	GLU	CG	C	36.448	0.300	1
831	1	71	GLU	N	N	118.933	0.300	1
832	1	72	ALA	H	H	8.550	0.030	1
833	1	72	ALA	HA	H	3.921	0.030	1
834	1	72	ALA	HB1	H	1.535	0.030	1
835	1	72	ALA	HB2	H	1.535	0.030	1
836	1	72	ALA	HB3	H	1.535	0.030	1
837	1	72	ALA	C	C	179.020	0.300	1
838	1	72	ALA	CA	C	55.382	0.300	1
839	1	72	ALA	CB	C	18.691	0.300	1
840	1	72	ALA	N	N	123.705	0.300	1
841	1	73	ALA	H	H	8.389	0.030	1
842	1	73	ALA	HA	H	3.820	0.030	1
843	1	73	ALA	HB1	H	1.382	0.030	1
844	1	73	ALA	HB2	H	1.382	0.030	1
845	1	73	ALA	HB3	H	1.382	0.030	1
846	1	73	ALA	C	C	179.170	0.300	1
847	1	73	ALA	CA	C	55.222	0.300	1
848	1	73	ALA	CB	C	18.245	0.300	1
849	1	73	ALA	N	N	118.144	0.300	1
850	1	74	ARG	H	H	8.130	0.030	1
851	1	74	ARG	HA	H	4.159	0.030	1
852	1	74	ARG	HB2	H	1.955	0.030	1
853	1	74	ARG	HB3	H	1.955	0.030	1
854	1	74	ARG	HG2	H	1.648	0.030	2
855	1	74	ARG	HG3	H	1.799	0.030	2
856	1	74	ARG	HD2	H	3.239	0.030	1
857	1	74	ARG	HD3	H	3.239	0.030	1
858	1	74	ARG	C	C	180.049	0.300	1
859	1	74	ARG	CA	C	59.375	0.300	1
860	1	74	ARG	CB	C	30.182	0.300	1
861	1	74	ARG	CG	C	27.762	0.300	1
862	1	74	ARG	CD	C	43.300	0.300	1
863	1	74	ARG	N	N	117.767	0.300	1
864	1	75	THR	H	H	8.251	0.030	1
865	1	75	THR	HA	H	3.999	0.030	1
866	1	75	THR	HB	H	4.279	0.030	1
867	1	75	THR	HG21	H	1.265	0.030	1
868	1	75	THR	HG22	H	1.265	0.030	1
869	1	75	THR	HG23	H	1.265	0.030	1
870	1	75	THR	C	C	175.021	0.300	1
871	1	75	THR	CA	C	66.011	0.300	1
872	1	75	THR	CB	C	69.080	0.300	1
873	1	75	THR	CG2	C	21.846	0.300	1
874	1	75	THR	N	N	116.734	0.300	1
875	1	76	ALA	H	H	7.720	0.030	1
876	1	76	ALA	HA	H	4.117	0.030	1
877	1	76	ALA	HB1	H	1.246	0.030	1
878	1	76	ALA	HB2	H	1.246	0.030	1
879	1	76	ALA	HB3	H	1.246	0.030	1
880	1	76	ALA	C	C	176.092	0.300	1
881	1	76	ALA	CA	C	52.535	0.300	1
882	1	76	ALA	CB	C	19.122	0.300	1
883	1	76	ALA	N	N	120.571	0.300	1
884	1	77	GLY	H	H	7.722	0.030	1
885	1	77	GLY	HA2	H	3.771	0.030	2
886	1	77	GLY	HA3	H	4.040	0.030	2
887	1	77	GLY	C	C	174.784	0.300	1
888	1	77	GLY	CA	C	45.658	0.300	1
889	1	77	GLY	N	N	105.150	0.300	1
890	1	78	ALA	H	H	7.890	0.030	1
891	1	78	ALA	HA	H	4.339	0.030	1
892	1	78	ALA	HB1	H	1.224	0.030	1
893	1	78	ALA	HB2	H	1.224	0.030	1
894	1	78	ALA	HB3	H	1.224	0.030	1
895	1	78	ALA	C	C	176.312	0.300	1
896	1	78	ALA	CA	C	51.460	0.300	1
897	1	78	ALA	CB	C	20.084	0.300	1
898	1	78	ALA	N	N	121.435	0.300	1
899	1	79	SER	H	H	8.152	0.030	1
900	1	79	SER	HA	H	4.725	0.030	1
901	1	79	SER	HB2	H	3.995	0.030	2
902	1	79	SER	HB3	H	4.296	0.030	2
903	1	79	SER	C	C	173.714	0.300	1
904	1	79	SER	CA	C	56.017	0.300	1
905	1	79	SER	CB	C	59.702	0.300	1
906	1	79	SER	N	N	116.967	0.300	1
907	1	80	PRO	HA	H	4.177	0.030	1
908	1	80	PRO	HB2	H	1.962	0.030	2
909	1	80	PRO	HB3	H	2.385	0.030	2
910	1	80	PRO	HG2	H	2.051	0.030	1
911	1	80	PRO	HG3	H	2.051	0.030	1
912	1	80	PRO	HD2	H	3.929	0.030	1
913	1	80	PRO	HD3	H	3.929	0.030	1
914	1	80	PRO	C	C	178.810	0.300	1
915	1	80	PRO	CA	C	65.350	0.300	1
916	1	80	PRO	CB	C	31.936	0.300	1
917	1	80	PRO	CG	C	27.896	0.300	1
918	1	80	PRO	CD	C	50.769	0.300	1
919	1	81	GLU	H	H	8.467	0.030	1
920	1	81	GLU	HA	H	4.019	0.030	1
921	1	81	GLU	HB2	H	2.017	0.030	1
922	1	81	GLU	HB3	H	2.017	0.030	1
923	1	81	GLU	HG2	H	2.315	0.030	1
924	1	81	GLU	HG3	H	2.315	0.030	1
925	1	81	GLU	C	C	178.977	0.300	1
926	1	81	GLU	CA	C	59.771	0.300	1
927	1	81	GLU	CB	C	28.789	0.300	1
928	1	81	GLU	CG	C	37.310	0.300	1
929	1	81	GLU	N	N	117.008	0.300	1
930	1	82	ILE	H	H	7.559	0.030	1
931	1	82	ILE	HA	H	3.921	0.030	1
932	1	82	ILE	HB	H	2.050	0.030	1
933	1	82	ILE	HG12	H	1.381	0.030	2
934	1	82	ILE	HG13	H	1.545	0.030	2
935	1	82	ILE	HG21	H	0.915	0.030	1
936	1	82	ILE	HG22	H	0.915	0.030	1
937	1	82	ILE	HG23	H	0.915	0.030	1
938	1	82	ILE	HD11	H	0.880	0.030	1
939	1	82	ILE	HD12	H	0.880	0.030	1
940	1	82	ILE	HD13	H	0.880	0.030	1
941	1	82	ILE	C	C	177.738	0.300	1
942	1	82	ILE	CA	C	63.435	0.300	1
943	1	82	ILE	CB	C	37.600	0.300	1
944	1	82	ILE	CG1	C	28.683	0.300	1
945	1	82	ILE	CG2	C	17.724	0.300	1
946	1	82	ILE	CD1	C	13.125	0.300	1
947	1	82	ILE	N	N	118.831	0.300	1
948	1	83	ILE	H	H	7.679	0.030	1
949	1	83	ILE	HA	H	3.696	0.030	1
950	1	83	ILE	HB	H	2.046	0.030	1
951	1	83	ILE	HG12	H	1.072	0.030	2
952	1	83	ILE	HG13	H	1.543	0.030	2
953	1	83	ILE	HG21	H	0.890	0.030	1
954	1	83	ILE	HG22	H	0.890	0.030	1
955	1	83	ILE	HG23	H	0.890	0.030	1
956	1	83	ILE	HD11	H	0.728	0.030	1
957	1	83	ILE	HD12	H	0.728	0.030	1
958	1	83	ILE	HD13	H	0.728	0.030	1
959	1	83	ILE	C	C	177.272	0.300	1
960	1	83	ILE	CA	C	63.898	0.300	1
961	1	83	ILE	CB	C	37.137	0.300	1
962	1	83	ILE	CG1	C	28.432	0.300	1
963	1	83	ILE	CG2	C	18.171	0.300	1
964	1	83	ILE	CD1	C	12.626	0.300	1
965	1	83	ILE	N	N	118.305	0.300	1
966	1	84	LYS	H	H	7.828	0.030	1
967	1	84	LYS	HA	H	4.014	0.030	1
968	1	84	LYS	HB2	H	1.881	0.030	1
969	1	84	LYS	HB3	H	1.881	0.030	1
970	1	84	LYS	HG2	H	1.550	0.030	1
971	1	84	LYS	HG3	H	1.550	0.030	1
972	1	84	LYS	C	C	179.256	0.300	1
973	1	84	LYS	CA	C	59.782	0.300	1
974	1	84	LYS	CB	C	32.443	0.300	1
975	1	84	LYS	CG	C	25.186	0.300	1
976	1	84	LYS	CD	C	29.387	0.300	1
977	1	84	LYS	N	N	119.027	0.300	1
978	1	85	LYS	H	H	7.644	0.030	1
979	1	85	LYS	HA	H	4.137	0.030	1
980	1	85	LYS	HB2	H	1.849	0.030	2
981	1	85	LYS	HB3	H	1.965	0.030	2
982	1	85	LYS	HG2	H	1.493	0.030	1
983	1	85	LYS	HG3	H	1.493	0.030	1
984	1	85	LYS	HD2	H	1.742	0.030	1
985	1	85	LYS	HD3	H	1.742	0.030	1
986	1	85	LYS	C	C	179.714	0.300	1
987	1	85	LYS	CA	C	59.315	0.300	1
988	1	85	LYS	CB	C	32.417	0.300	1
989	1	85	LYS	CG	C	25.416	0.300	1
990	1	85	LYS	CD	C	29.311	0.300	1
991	1	85	LYS	N	N	118.812	0.300	1
992	1	86	LEU	H	H	8.277	0.030	1
993	1	86	LEU	HA	H	4.108	0.030	1
994	1	86	LEU	HB2	H	1.544	0.030	2
995	1	86	LEU	HB3	H	1.858	0.030	2
996	1	86	LEU	HG	H	1.805	0.030	1
997	1	86	LEU	HD11	H	0.873	0.030	2
998	1	86	LEU	HD12	H	0.873	0.030	2
999	1	86	LEU	HD13	H	0.873	0.030	2
1000	1	86	LEU	HD21	H	0.862	0.030	2
1001	1	86	LEU	HD22	H	0.862	0.030	2
1002	1	86	LEU	HD23	H	0.862	0.030	2
1003	1	86	LEU	C	C	177.718	0.300	1
1004	1	86	LEU	CA	C	57.191	0.300	1
1005	1	86	LEU	CB	C	41.967	0.300	1
1006	1	86	LEU	CG	C	27.158	0.300	1
1007	1	86	LEU	CD1	C	24.775	0.300	2
1008	1	86	LEU	CD2	C	24.775	0.300	2
1009	1	86	LEU	N	N	120.521	0.300	1
1010	1	87	ALA	H	H	8.641	0.030	1
1011	1	87	ALA	HA	H	3.827	0.030	1
1012	1	87	ALA	HB1	H	1.481	0.030	1
1013	1	87	ALA	HB2	H	1.481	0.030	1
1014	1	87	ALA	HB3	H	1.481	0.030	1
1015	1	87	ALA	C	C	179.976	0.300	1
1016	1	87	ALA	CA	C	55.966	0.300	1
1017	1	87	ALA	CB	C	18.061	0.300	1
1018	1	87	ALA	N	N	122.124	0.300	1
1019	1	88	SER	H	H	7.975	0.030	1
1020	1	88	SER	HA	H	3.968	0.030	1
1021	1	88	SER	HB2	H	3.962	0.030	2
1022	1	88	SER	HB3	H	4.250	0.030	2
1023	1	88	SER	C	C	176.684	0.300	1
1024	1	88	SER	CA	C	61.414	0.300	1
1025	1	88	SER	CB	C	63.524	0.300	1
1026	1	88	SER	N	N	112.413	0.300	1
1027	1	89	ALA	H	H	7.684	0.030	1
1028	1	89	ALA	HA	H	4.122	0.030	1
1029	1	89	ALA	HB1	H	1.477	0.030	1
1030	1	89	ALA	HB2	H	1.477	0.030	1
1031	1	89	ALA	HB3	H	1.477	0.030	1
1032	1	89	ALA	C	C	180.002	0.300	1
1033	1	89	ALA	CA	C	54.965	0.300	1
1034	1	89	ALA	CB	C	18.014	0.300	1
1035	1	89	ALA	N	N	123.907	0.300	1
1036	1	90	LEU	H	H	8.188	0.030	1
1037	1	90	LEU	HA	H	3.880	0.030	1
1038	1	90	LEU	HB2	H	1.306	0.030	2
1039	1	90	LEU	HB3	H	1.872	0.030	2
1040	1	90	LEU	HG	H	1.722	0.030	1
1041	1	90	LEU	HD11	H	0.384	0.030	2
1042	1	90	LEU	HD12	H	0.384	0.030	2
1043	1	90	LEU	HD13	H	0.384	0.030	2
1044	1	90	LEU	HD21	H	0.598	0.030	2
1045	1	90	LEU	HD22	H	0.598	0.030	2
1046	1	90	LEU	HD23	H	0.598	0.030	2
1047	1	90	LEU	C	C	178.778	0.300	1
1048	1	90	LEU	CA	C	57.623	0.300	1
1049	1	90	LEU	CB	C	41.076	0.300	1
1050	1	90	LEU	CG	C	26.402	0.300	1
1051	1	90	LEU	CD1	C	22.699	0.300	2
1052	1	90	LEU	CD2	C	25.982	0.300	2
1053	1	90	LEU	N	N	117.528	0.300	1
1054	1	91	GLU	H	H	7.916	0.030	1
1055	1	91	GLU	HA	H	3.925	0.030	1
1056	1	91	GLU	HB2	H	2.199	0.030	1
1057	1	91	GLU	HB3	H	2.199	0.030	1
1058	1	91	GLU	HG2	H	2.448	0.030	1
1059	1	91	GLU	HG3	H	2.448	0.030	1
1060	1	91	GLU	C	C	178.809	0.300	1
1061	1	91	GLU	CA	C	59.643	0.300	1
1062	1	91	GLU	CB	C	29.652	0.300	1
1063	1	91	GLU	CG	C	36.593	0.300	1
1064	1	91	GLU	N	N	118.885	0.300	1
1065	1	92	ARG	H	H	7.696	0.030	1
1066	1	92	ARG	HA	H	4.204	0.030	1
1067	1	92	ARG	HB2	H	1.954	0.030	1
1068	1	92	ARG	HB3	H	1.954	0.030	1
1069	1	92	ARG	HG2	H	1.955	0.030	1
1070	1	92	ARG	HG3	H	1.955	0.030	1
1071	1	92	ARG	HD2	H	3.240	0.030	1
1072	1	92	ARG	HD3	H	3.240	0.030	1
1073	1	92	ARG	C	C	178.852	0.300	1
1074	1	92	ARG	CA	C	58.652	0.300	1
1075	1	92	ARG	CB	C	30.183	0.300	1
1076	1	92	ARG	CG	C	30.180	0.300	1
1077	1	92	ARG	CD	C	43.279	0.300	1
1078	1	92	ARG	N	N	118.296	0.300	1
1079	1	93	LEU	H	H	7.862	0.030	1
1080	1	93	LEU	HA	H	4.091	0.030	1
1081	1	93	LEU	HB2	H	1.609	0.030	2
1082	1	93	LEU	HB3	H	1.775	0.030	2
1083	1	93	LEU	HD11	H	0.895	0.030	2
1084	1	93	LEU	HD12	H	0.895	0.030	2
1085	1	93	LEU	HD13	H	0.895	0.030	2
1086	1	93	LEU	HD21	H	0.909	0.030	2
1087	1	93	LEU	HD22	H	0.909	0.030	2
1088	1	93	LEU	HD23	H	0.909	0.030	2
1089	1	93	LEU	C	C	179.120	0.300	1
1090	1	93	LEU	CA	C	57.998	0.300	1
1091	1	93	LEU	CB	C	42.064	0.300	1
1092	1	93	LEU	CG	C	27.140	0.300	1
1093	1	93	LEU	CD1	C	25.096	0.300	2
1094	1	93	LEU	CD2	C	24.599	0.300	2
1095	1	93	LEU	N	N	120.266	0.300	1
1096	1	94	ALA	H	H	8.051	0.030	1
1097	1	94	ALA	HA	H	4.194	0.030	1
1098	1	94	ALA	HB1	H	1.485	0.030	1
1099	1	94	ALA	HB2	H	1.485	0.030	1
1100	1	94	ALA	HB3	H	1.485	0.030	1
1101	1	94	ALA	C	C	179.891	0.300	1
1102	1	94	ALA	CA	C	54.273	0.300	1
1103	1	94	ALA	CB	C	18.184	0.300	1
1104	1	94	ALA	N	N	122.020	0.300	1
1105	1	95	GLU	H	H	7.969	0.030	1
1106	1	95	GLU	HA	H	4.127	0.030	1
1107	1	95	GLU	HB2	H	2.159	0.030	1
1108	1	95	GLU	HB3	H	2.159	0.030	1
1109	1	95	GLU	HG2	H	2.469	0.030	1
1110	1	95	GLU	HG3	H	2.469	0.030	1
1111	1	95	GLU	C	C	179.112	0.300	1
1112	1	95	GLU	CA	C	58.789	0.300	1
1113	1	95	GLU	CB	C	29.713	0.300	1
1114	1	95	GLU	CG	C	36.528	0.300	1
1115	1	95	GLU	N	N	119.218	0.300	1
1116	1	96	GLU	H	H	8.239	0.030	1
1117	1	96	GLU	HA	H	4.202	0.030	1
1118	1	96	GLU	HB2	H	2.124	0.030	1
1119	1	96	GLU	HB3	H	2.124	0.030	1
1120	1	96	GLU	HG2	H	2.433	0.030	1
1121	1	96	GLU	HG3	H	2.433	0.030	1
1122	1	96	GLU	C	C	179.059	0.300	1
1123	1	96	GLU	CA	C	58.674	0.300	1
1124	1	96	GLU	CB	C	29.671	0.300	1
1125	1	96	GLU	CG	C	36.608	0.300	1
1126	1	96	GLU	N	N	120.400	0.300	1
1127	1	97	GLY	H	H	8.396	0.030	1
1128	1	97	GLY	HA2	H	3.931	0.030	1
1129	1	97	GLY	HA3	H	3.931	0.030	1
1130	1	97	GLY	C	C	176.037	0.300	1
1131	1	97	GLY	CA	C	46.887	0.300	1
1132	1	97	GLY	N	N	108.245	0.300	1
1133	1	98	ALA	H	H	8.181	0.030	1
1134	1	98	ALA	HA	H	4.274	0.030	1
1135	1	98	ALA	HB1	H	1.523	0.030	1
1136	1	98	ALA	HB2	H	1.523	0.030	1
1137	1	98	ALA	HB3	H	1.523	0.030	1
1138	1	98	ALA	C	C	179.950	0.300	1
1139	1	98	ALA	CA	C	54.434	0.300	1
1140	1	98	ALA	CB	C	18.314	0.300	1
1141	1	98	ALA	N	N	124.464	0.300	1
1142	1	99	ALA	H	H	8.051	0.030	1
1143	1	99	ALA	HA	H	4.257	0.030	1
1144	1	99	ALA	HB1	H	1.523	0.030	1
1145	1	99	ALA	HB2	H	1.523	0.030	1
1146	1	99	ALA	HB3	H	1.523	0.030	1
1147	1	99	ALA	C	C	180.265	0.300	1
1148	1	99	ALA	CA	C	54.464	0.300	1
1149	1	99	ALA	CB	C	18.288	0.300	1
1150	1	99	ALA	N	N	122.026	0.300	1
1151	1	100	LYS	H	H	8.116	0.030	1
1152	1	100	LYS	HA	H	4.158	0.030	1
1153	1	100	LYS	HB2	H	1.958	0.030	2
1154	1	100	LYS	HB3	H	1.948	0.030	2
1155	1	100	LYS	C	C	178.938	0.300	1
1156	1	100	LYS	CA	C	58.746	0.300	1
1157	1	100	LYS	CB	C	32.305	0.300	1
1158	1	100	LYS	CG	C	25.096	0.300	1
1159	1	100	LYS	CE	C	42.130	0.300	1
1160	1	100	LYS	N	N	120.229	0.300	1
1161	1	101	GLU	H	H	8.055	0.030	1
1162	1	101	GLU	HA	H	4.310	0.030	1
1163	1	101	GLU	HB2	H	2.119	0.030	1
1164	1	101	GLU	HB3	H	2.119	0.030	1
1165	1	101	GLU	HG2	H	2.352	0.030	1
1166	1	101	GLU	HG3	H	2.352	0.030	1
1167	1	101	GLU	C	C	178.098	0.300	1
1168	1	101	GLU	CA	C	58.185	0.300	1
1169	1	101	GLU	CB	C	29.387	0.300	1
1170	1	101	GLU	CG	C	35.664	0.300	1
1171	1	101	GLU	N	N	121.091	0.300	1
1172	1	102	ALA	H	H	8.189	0.030	1
1173	1	102	ALA	HA	H	4.194	0.030	1
1174	1	102	ALA	HB1	H	1.520	0.030	1
1175	1	102	ALA	HB2	H	1.520	0.030	1
1176	1	102	ALA	HB3	H	1.520	0.030	1
1177	1	102	ALA	C	C	180.201	0.300	1
1178	1	102	ALA	CA	C	54.469	0.300	1
1179	1	102	ALA	CB	C	18.230	0.300	1
1180	1	102	ALA	N	N	122.769	0.300	1
1181	1	103	ALA	H	H	7.979	0.030	1
1182	1	103	ALA	HA	H	4.233	0.030	1
1183	1	103	ALA	HB1	H	1.506	0.030	1
1184	1	103	ALA	HB2	H	1.506	0.030	1
1185	1	103	ALA	HB3	H	1.506	0.030	1
1186	1	103	ALA	C	C	179.805	0.300	1
1187	1	103	ALA	CA	C	54.448	0.300	1
1188	1	103	ALA	CB	C	18.194	0.300	1
1189	1	103	ALA	N	N	121.295	0.300	1
1190	1	104	ARG	H	H	8.028	0.030	1
1191	1	104	ARG	HA	H	4.150	0.030	1
1192	1	104	ARG	HB2	H	1.956	0.030	1
1193	1	104	ARG	HB3	H	1.956	0.030	1
1194	1	104	ARG	HG2	H	1.769	0.030	1
1195	1	104	ARG	HG3	H	1.769	0.030	1
1196	1	104	ARG	HD2	H	3.189	0.030	1
1197	1	104	ARG	HD3	H	3.189	0.030	1
1198	1	104	ARG	C	C	178.732	0.300	1
1199	1	104	ARG	CA	C	58.798	0.300	1
1200	1	104	ARG	CB	C	30.187	0.300	1
1201	1	104	ARG	CG	C	27.146	0.300	1
1202	1	104	ARG	CD	C	43.413	0.300	1
1203	1	104	ARG	N	N	120.439	0.300	1
1204	1	105	GLN	H	H	8.303	0.030	1
1205	1	105	GLN	HA	H	4.104	0.030	1
1206	1	105	GLN	HB2	H	2.122	0.030	1
1207	1	105	GLN	HB3	H	2.122	0.030	1
1208	1	105	GLN	HG2	H	2.412	0.030	1
1209	1	105	GLN	HG3	H	2.412	0.030	1
1210	1	105	GLN	HE21	H	6.836	0.030	2
1211	1	105	GLN	HE22	H	7.355	0.030	2
1212	1	105	GLN	C	C	177.675	0.300	1
1213	1	105	GLN	CA	C	58.134	0.300	1
1214	1	105	GLN	CB	C	28.378	0.300	1
1215	1	105	GLN	CG	C	34.038	0.300	1
1216	1	105	GLN	N	N	119.395	0.300	1
1217	1	105	GLN	NE2	N	111.548	0.300	1
1218	1	106	ALA	H	H	8.040	0.030	1
1219	1	106	ALA	HA	H	4.191	0.030	1
1220	1	106	ALA	HB1	H	1.506	0.030	1
1221	1	106	ALA	HB2	H	1.506	0.030	1
1222	1	106	ALA	HB3	H	1.506	0.030	1
1223	1	106	ALA	C	C	180.213	0.300	1
1224	1	106	ALA	CA	C	54.489	0.300	1
1225	1	106	ALA	CB	C	18.236	0.300	1
1226	1	106	ALA	N	N	122.006	0.300	1
1227	1	107	GLU	H	H	8.005	0.030	1
1228	1	107	GLU	HA	H	4.098	0.030	1
1229	1	107	GLU	HB2	H	2.102	0.030	1
1230	1	107	GLU	HB3	H	2.102	0.030	1
1231	1	107	GLU	HG2	H	2.318	0.030	1
1232	1	107	GLU	HG3	H	2.318	0.030	1
1233	1	107	GLU	C	C	178.740	0.300	1
1234	1	107	GLU	CA	C	58.586	0.300	1
1235	1	107	GLU	CB	C	29.401	0.300	1
1236	1	107	GLU	CG	C	36.240	0.300	1
1237	1	107	GLU	N	N	120.465	0.300	1
1238	1	108	GLU	H	H	7.914	0.030	1
1239	1	108	GLU	HA	H	4.173	0.030	1
1240	1	108	GLU	HB2	H	1.474	0.030	1
1241	1	108	GLU	HB3	H	1.474	0.030	1
1242	1	108	GLU	C	C	178.461	0.300	1
1243	1	108	GLU	CA	C	58.239	0.300	1
1244	1	108	GLU	CB	C	29.554	0.300	1
1245	1	108	GLU	CG	C	36.441	0.300	1
1246	1	108	GLU	N	N	119.088	0.300	1
1247	1	109	VAL	H	H	7.915	0.030	1
1248	1	109	VAL	HA	H	3.800	0.030	1
1249	1	109	VAL	HB	H	2.143	0.030	1
1250	1	109	VAL	HG11	H	0.939	0.030	2
1251	1	109	VAL	HG12	H	0.939	0.030	2
1252	1	109	VAL	HG13	H	0.939	0.030	2
1253	1	109	VAL	HG21	H	1.040	0.030	2
1254	1	109	VAL	HG22	H	1.040	0.030	2
1255	1	109	VAL	HG23	H	1.040	0.030	2
1256	1	109	VAL	C	C	177.944	0.300	1
1257	1	109	VAL	CA	C	65.029	0.300	1
1258	1	109	VAL	CB	C	32.018	0.300	1
1259	1	109	VAL	CG1	C	21.218	0.300	2
1260	1	109	VAL	CG2	C	21.977	0.300	2
1261	1	109	VAL	N	N	119.111	0.300	1
1262	1	110	ARG	H	H	7.934	0.030	1
1263	1	110	ARG	HA	H	4.164	0.030	1
1264	1	110	ARG	HB2	H	1.892	0.030	1
1265	1	110	ARG	HB3	H	1.892	0.030	1
1266	1	110	ARG	HG2	H	1.601	0.030	1
1267	1	110	ARG	HG3	H	1.601	0.030	1
1268	1	110	ARG	C	C	177.619	0.300	1
1269	1	110	ARG	CA	C	58.162	0.300	1
1270	1	110	ARG	CB	C	30.335	0.300	1
1271	1	110	ARG	CG	C	27.421	0.300	1
1272	1	110	ARG	CD	C	43.431	0.300	1
1273	1	110	ARG	N	N	121.707	0.300	1
1274	1	111	LYS	H	H	8.019	0.030	1
1275	1	111	LYS	HA	H	4.154	0.030	1
1276	1	111	LYS	HB2	H	1.871	0.030	1
1277	1	111	LYS	HB3	H	1.871	0.030	1
1278	1	111	LYS	HG2	H	1.432	0.030	1
1279	1	111	LYS	HG3	H	1.432	0.030	1
1280	1	111	LYS	CA	C	58.080	0.300	1
1281	1	111	LYS	CB	C	32.562	0.300	1
1282	1	111	LYS	CG	C	25.193	0.300	1
1283	1	111	LYS	CE	C	42.138	0.300	1
1284	1	111	LYS	N	N	120.122	0.300	1
1285	1	112	ARG	H	H	8.022	0.030	1
1286	1	112	ARG	HA	H	4.243	0.030	1
1287	1	112	ARG	HB2	H	1.884	0.030	1
1288	1	112	ARG	HB3	H	1.884	0.030	1
1289	1	112	ARG	HG2	H	1.689	0.030	1
1290	1	112	ARG	HG3	H	1.689	0.030	1
1291	1	112	ARG	HD2	H	3.240	0.030	1
1292	1	112	ARG	HD3	H	3.240	0.030	1
1293	1	112	ARG	C	C	177.408	0.300	1
1294	1	112	ARG	CA	C	58.736	0.300	1
1295	1	112	ARG	CB	C	30.224	0.300	1
1296	1	112	ARG	CG	C	27.466	0.300	1
1297	1	112	ARG	CD	C	43.295	0.300	1
1298	1	112	ARG	N	N	120.160	0.300	1
1299	1	113	GLY	H	H	8.177	0.030	1
1300	1	113	GLY	HA2	H	3.989	0.030	1
1301	1	113	GLY	HA3	H	3.989	0.030	1
1302	1	113	GLY	C	C	174.369	0.300	1
1303	1	113	GLY	CA	C	45.535	0.300	1
1304	1	113	GLY	N	N	108.710	0.300	1
1305	1	114	SER	H	H	8.061	0.030	1
1306	1	114	SER	HA	H	4.444	0.030	1
1307	1	114	SER	HB2	H	3.885	0.030	1
1308	1	114	SER	HB3	H	3.885	0.030	1
1309	1	114	SER	C	C	174.713	0.300	1
1310	1	114	SER	CA	C	58.555	0.300	1
1311	1	114	SER	CB	C	63.888	0.300	1
1312	1	114	SER	N	N	115.330	0.300	1
1313	1	115	LEU	H	H	8.206	0.030	1
1314	1	115	LEU	HA	H	4.317	0.030	1
1315	1	115	LEU	HB2	H	1.544	0.030	2
1316	1	115	LEU	HB3	H	1.613	0.030	2
1317	1	115	LEU	HG	H	1.617	0.030	1
1318	1	115	LEU	HD11	H	0.833	0.030	2
1319	1	115	LEU	HD12	H	0.833	0.030	2
1320	1	115	LEU	HD13	H	0.833	0.030	2
1321	1	115	LEU	HD21	H	0.908	0.030	2
1322	1	115	LEU	HD22	H	0.908	0.030	2
1323	1	115	LEU	HD23	H	0.908	0.030	2
1324	1	115	LEU	C	C	177.464	0.300	1
1325	1	115	LEU	CA	C	55.473	0.300	1
1326	1	115	LEU	CB	C	42.242	0.300	1
1327	1	115	LEU	CG	C	26.966	0.300	1
1328	1	115	LEU	CD1	C	23.378	0.300	2
1329	1	115	LEU	CD2	C	25.033	0.300	2
1330	1	115	LEU	N	N	123.482	0.300	1
1331	1	116	GLU	H	H	8.224	0.030	1
1332	1	116	GLU	HA	H	4.161	0.030	1
1333	1	116	GLU	HB2	H	1.893	0.030	1
1334	1	116	GLU	HB3	H	1.893	0.030	1
1335	1	116	GLU	HG2	H	2.133	0.030	1
1336	1	116	GLU	HG3	H	2.133	0.030	1
1337	1	116	GLU	C	C	176.229	0.300	1
1338	1	116	GLU	CA	C	56.878	0.300	1
1339	1	116	GLU	CB	C	30.324	0.300	1
1340	1	116	GLU	CG	C	36.213	0.300	1
1341	1	116	GLU	N	N	120.339	0.300	1

Release date

2020-05-06

Citation

Design of complicated all-α protein structures
Sakuma, K., Kobayashi, N., Sugiki, T., Nagashima, T., Fujiwara, T., Suzuki, K., Kobayashi, N., Murata, T., Kosugi, T., Tatsumi-Koga, R., Koga, N.
Nat. Struct. Mol. Biol. (2024), 31, 275-282, PubMed 38177681 , DOI 10.1038/s41594-023-01147-9 , Abstract

Related entities 1. Nomur, : 1 entities Detail

Experiments performed 26 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 0.8 mM [U-100% 13C; U-100% 15N] foldU5, 1.06 mM potassium phosphate, 2.97 mM sodium phosphate, 155.2 mM sodium chloride, 10 uM EDTA, 0.02 % sodium azide, 0.16 % w/w protease inhibitor complete cocktail, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

3 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

4 3D HNCO

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

5 3D HN(CA)CO

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

6 3D HNCA

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

7 3D HN(CO)CA

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

8 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

9 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

10 3D C(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

11 3D H(CCO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

12 3D (H)N(CA)NH

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

13 3D H(NCA)NH

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

14 3D HCCH-TOCSY aliphatic

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

15 3D HCCH-TOCSY aromatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

16 3D HBHA(CO)NH

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

17 3D HNHAHB

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

18 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

19 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

20 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

21 2D 1H-15N HSQC IPAP

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

22 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 7.4, Details 0.4 mM [U-100% 13C; U-100% 15N] foldU5, 1.06 mM potassium phosphate, 2.97 mM sodium phosphate, 155.2 mM sodium chloride, 10 mM EDTA, 0.02 % sodium azide, 0.16 % w/w protease inhibitor complete cocktail, 10 mg/mL Pf1 phage, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
10	foldU5	[U-100% 13C; U-100% 15N]	protein	0.4 mM
11	Pf1 phage	natural abundance		10 mg/mL
12	EDTA	natural abundance		10 mM
13	potassium phosphate	natural abundance		1.06 mM
14	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
15	sodium azide	natural abundance		0.02 %
16	sodium chloride	natural abundance	salt	155.2 mM
17	sodium phosphate	natural abundance	buffer	2.97 mM
18	H2O	natural abundance	solvent	95 %
19	D2O	[U-2H]	solvent	5 %

23 3D J-HNCO

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

24 3D J-HNCO

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
10	foldU5	[U-100% 13C; U-100% 15N]	protein	0.4 mM
11	Pf1 phage	natural abundance		10 mg/mL
12	EDTA	natural abundance		10 mM
13	potassium phosphate	natural abundance		1.06 mM
14	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
15	sodium azide	natural abundance		0.02 %
16	sodium chloride	natural abundance	salt	155.2 mM
17	sodium phosphate	natural abundance	buffer	2.97 mM
18	H2O	natural abundance	solvent	95 %
19	D2O	[U-2H]	solvent	5 %

25 3D J-HN(CO)CA

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	foldU5	[U-100% 13C; U-100% 15N]	protein	0.8 mM
2	EDTA	natural abundance		10 uM
3	potassium phosphate	natural abundance		1.06 mM
4	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
5	sodium azide	natural abundance		0.02 %
6	sodium chloride	natural abundance	salt	155.2 mM
7	sodium phosphate	natural abundance	buffer	2.97 mM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

26 3D J-HN(CO)CA

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
10	foldU5	[U-100% 13C; U-100% 15N]	protein	0.4 mM
11	Pf1 phage	natural abundance		10 mg/mL
12	EDTA	natural abundance		10 mM
13	potassium phosphate	natural abundance		1.06 mM
14	protease inhibitor complete cocktail	natural abundance		0.16 % w/w
15	sodium azide	natural abundance		0.02 %
16	sodium chloride	natural abundance	salt	155.2 mM
17	sodium phosphate	natural abundance	buffer	2.97 mM
18	H2O	natural abundance	solvent	95 %
19	D2O	[U-2H]	solvent	5 %

nullKeywords DE NOVO PROTEIN, de novo designed proteins

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Found 1 Document (0.605 seconds)

BMRB: 36339

Related entities 1. Nomur, : 1 entities Detail

Experiments performed 26 experiments Detail

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