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BMRB: 34488

6Y06

Designing a Granulopoietic Protein by Topological Rescaffolding 2: Moevan

Authors

ElGamacy, M., Coles, M.

Assembly

Moevan

Entity

1. Moevan (polymer, Thiol state: not present), 138 monomers, 15616.60 Da Detail

MGSSHHHHHH SSGLVPRGSH MEAAAAARDE SAYLKLQEQM RKIDADAAAL SETRTIEELD TFKLDVADFV TTVVQLAEEL EHRFGRNRRG RTEIYKIVKE VDRKLLDLTD AVLAKEKKGE DILNMVAEIK ALLINIYK

Formula weight

15616.6 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Refine. method

NOESY back-calculation

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 623, ¹³C: 428, ¹⁵N: 89 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	27	ALA	CA	C	54.15	0.05	1
2	1	27	ALA	CB	C	17.98	0.05	1
3	1	30	GLU	CA	C	57.13	0.05	1
4	1	30	GLU	CB	C	30.1	0.05	1
5	1	30	GLU	CG	C	35.38	0.05	1
6	1	31	SER	HA	H	4.09	0.02	1
7	1	31	SER	HB2	H	4.36	0.02	1
8	1	31	SER	HB3	H	4.36	0.02	1
9	1	31	SER	CA	C	60.09	0.05	1
10	1	31	SER	CB	C	62.26	0.05	1
11	1	32	ALA	HA	H	4.21	0.02	1
12	1	32	ALA	HB1	H	1.55	0.02	1
13	1	32	ALA	HB2	H	1.55	0.02	1
14	1	32	ALA	HB3	H	1.55	0.02	1
15	1	32	ALA	C	C	178.88	0.05	1
16	1	32	ALA	CA	C	54.27	0.05	1
17	1	32	ALA	CB	C	17.85	0.05	1
18	1	33	TYR	H	H	7.93	0.02	1
19	1	33	TYR	HA	H	4.23	0.02	1
20	1	33	TYR	HB2	H	3.23	0.02	1
21	1	33	TYR	HB3	H	3.17	0.02	1
22	1	33	TYR	HD1	H	7.17	0.02	1
23	1	33	TYR	HD2	H	7.17	0.02	1
24	1	33	TYR	HE1	H	6.91	0.02	1
25	1	33	TYR	HE2	H	6.91	0.02	1
26	1	33	TYR	C	C	178.1	0.05	1
27	1	33	TYR	CA	C	60.27	0.05	1
28	1	33	TYR	CB	C	37.06	0.05	1
29	1	33	TYR	CD1	C	132.8	0.05	1
30	1	33	TYR	CD2	C	132.8	0.05	1
31	1	33	TYR	CE1	C	119.7	0.05	1
32	1	33	TYR	CE2	C	119.7	0.05	1
33	1	33	TYR	N	N	116.43	0.05	1
34	1	34	LEU	H	H	8.01	0.02	1
35	1	34	LEU	HA	H	4.17	0.02	1
36	1	34	LEU	HB2	H	1.97	0.02	1
37	1	34	LEU	HB3	H	1.85	0.02	1
38	1	34	LEU	HG	H	1.92	0.02	1
39	1	34	LEU	HD11	H	1.06	0.02	1
40	1	34	LEU	HD12	H	1.06	0.02	1
41	1	34	LEU	HD13	H	1.06	0.02	1
42	1	34	LEU	HD21	H	1.03	0.02	1
43	1	34	LEU	HD22	H	1.03	0.02	1
44	1	34	LEU	HD23	H	1.03	0.02	1
45	1	34	LEU	C	C	179.34	0.05	1
46	1	34	LEU	CA	C	57.17	0.05	1
47	1	34	LEU	CB	C	40.63	0.05	1
48	1	34	LEU	CG	C	26.27	0.05	1
49	1	34	LEU	CD1	C	24.2	0.05	1
50	1	34	LEU	CD2	C	22.63	0.05	1
51	1	34	LEU	N	N	120.1	0.05	1
52	1	35	LYS	H	H	7.89	0.02	1
53	1	35	LYS	HA	H	4.21	0.02	1
54	1	35	LYS	HB2	H	2.03	0.02	1
55	1	35	LYS	HB3	H	2.03	0.02	1
56	1	35	LYS	C	C	178.53	0.05	1
57	1	35	LYS	CA	C	58.38	0.05	1
58	1	35	LYS	CB	C	31.12	0.05	1
59	1	35	LYS	CG	C	24.15	0.05	1
60	1	35	LYS	CD	C	28.17	0.05	1
61	1	35	LYS	CE	C	41.56	0.05	1
62	1	35	LYS	N	N	120.42	0.05	1
63	1	36	LEU	H	H	7.93	0.02	1
64	1	36	LEU	HA	H	4.17	0.02	1
65	1	36	LEU	HB2	H	1.87	0.02	1
66	1	36	LEU	HB3	H	1.87	0.02	1
67	1	36	LEU	HD11	H	0.59	0.02	1
68	1	36	LEU	HD12	H	0.59	0.02	1
69	1	36	LEU	HD13	H	0.59	0.02	1
70	1	36	LEU	HD21	H	0.4	0.02	1
71	1	36	LEU	HD22	H	0.4	0.02	1
72	1	36	LEU	HD23	H	0.4	0.02	1
73	1	36	LEU	C	C	179.36	0.05	1
74	1	36	LEU	CA	C	57.05	0.05	1
75	1	36	LEU	CB	C	40.44	0.05	1
76	1	36	LEU	CG	C	25.81	0.05	1
77	1	36	LEU	CD1	C	24.91	0.05	1
78	1	36	LEU	CD2	C	22.48	0.05	1
79	1	36	LEU	N	N	119.36	0.05	1
80	1	37	GLN	H	H	8.03	0.02	1
81	1	37	GLN	HA	H	4.21	0.02	1
82	1	37	GLN	HB2	H	2.34	0.02	1
83	1	37	GLN	HB3	H	2.26	0.02	1
84	1	37	GLN	HG2	H	2.59	0.02	1
85	1	37	GLN	HG3	H	2.39	0.02	1
86	1	37	GLN	C	C	179.27	0.05	1
87	1	37	GLN	CA	C	58.33	0.05	1
88	1	37	GLN	CB	C	27.98	0.05	1
89	1	37	GLN	CG	C	33.31	0.05	1
90	1	37	GLN	N	N	118.15	0.05	1
91	1	38	GLU	H	H	8.07	0.02	1
92	1	38	GLU	HA	H	4.34	0.02	1
93	1	38	GLU	HB2	H	2.19	0.02	1
94	1	38	GLU	HB3	H	2.12	0.02	1
95	1	38	GLU	HG2	H	2.44	0.02	1
96	1	38	GLU	HG3	H	2.44	0.02	1
97	1	38	GLU	C	C	177.61	0.05	1
98	1	38	GLU	CA	C	58.46	0.05	1
99	1	38	GLU	CB	C	28.54	0.05	1
100	1	38	GLU	CG	C	35.21	0.05	1
101	1	38	GLU	N	N	120.5	0.05	1
102	1	39	GLN	H	H	8.48	0.02	1
103	1	39	GLN	HA	H	4.22	0.02	1
104	1	39	GLN	HB2	H	2.32	0.02	1
105	1	39	GLN	HB3	H	2.26	0.02	1
106	1	39	GLN	HG2	H	2.6	0.02	1
107	1	39	GLN	HG3	H	2.39	0.02	1
108	1	39	GLN	C	C	178.75	0.05	1
109	1	39	GLN	CA	C	58.21	0.05	1
110	1	39	GLN	CB	C	27.88	0.05	1
111	1	39	GLN	CG	C	33.54	0.05	1
112	1	39	GLN	N	N	120.48	0.05	1
113	1	40	MET	H	H	8.64	0.02	1
114	1	40	MET	HA	H	4.42	0.02	1
115	1	40	MET	HB2	H	2.29	0.02	1
116	1	40	MET	HB3	H	2.23	0.02	1
117	1	40	MET	HG2	H	2.64	0.02	1
118	1	40	MET	HG3	H	2.64	0.02	1
119	1	40	MET	HE1	H	2.15	0.02	1
120	1	40	MET	HE2	H	2.15	0.02	1
121	1	40	MET	HE3	H	2.15	0.02	1
122	1	40	MET	C	C	177.11	0.05	1
123	1	40	MET	CA	C	56.46	0.05	1
124	1	40	MET	CB	C	30.41	0.05	1
125	1	40	MET	CG	C	31.72	0.05	1
126	1	40	MET	CE	C	17.08	0.05	1
127	1	40	MET	N	N	119.8	0.05	1
128	1	41	ARG	H	H	7.87	0.02	1
129	1	41	ARG	HA	H	4.26	0.02	1
130	1	41	ARG	HB2	H	2.03	0.02	1
131	1	41	ARG	HB3	H	1.79	0.02	1
132	1	41	ARG	HG2	H	2.13	0.02	1
133	1	41	ARG	HG3	H	2.13	0.02	1
134	1	41	ARG	HD2	H	3.36	0.02	1
135	1	41	ARG	HD3	H	3.36	0.02	1
136	1	41	ARG	C	C	179.29	0.05	1
137	1	41	ARG	CA	C	58.69	0.05	1
138	1	41	ARG	CB	C	29.01	0.05	1
139	1	41	ARG	CG	C	27.17	0.05	1
140	1	41	ARG	CD	C	42.6	0.05	1
141	1	41	ARG	N	N	119.53	0.05	1
142	1	42	LYS	H	H	7.67	0.02	1
143	1	42	LYS	HA	H	4.21	0.02	1
144	1	42	LYS	HB2	H	2.02	0.02	1
145	1	42	LYS	HB3	H	2.02	0.02	1
146	1	42	LYS	HG2	H	1.62	0.02	1
147	1	42	LYS	HG3	H	1.62	0.02	1
148	1	42	LYS	HD2	H	1.76	0.02	1
149	1	42	LYS	HD3	H	1.76	0.02	1
150	1	42	LYS	HE2	H	3.11	0.02	1
151	1	42	LYS	HE3	H	3.11	0.02	1
152	1	42	LYS	C	C	177.6	0.05	1
153	1	42	LYS	CA	C	58.53	0.05	1
154	1	42	LYS	CB	C	31.57	0.05	1
155	1	42	LYS	CG	C	24.1	0.05	1
156	1	42	LYS	CD	C	28.19	0.05	1
157	1	42	LYS	CE	C	41.51	0.05	1
158	1	42	LYS	N	N	121.48	0.05	1
159	1	43	ILE	H	H	7.99	0.02	1
160	1	43	ILE	HA	H	3.8	0.02	1
161	1	43	ILE	HB	H	2.2	0.02	1
162	1	43	ILE	HG12	H	1.82	0.02	1
163	1	43	ILE	HG13	H	0.79	0.02	1
164	1	43	ILE	C	C	177.57	0.05	1
165	1	43	ILE	CA	C	65.12	0.05	1
166	1	43	ILE	CB	C	36.54	0.05	1
167	1	43	ILE	CG1	C	30.08	0.05	1
168	1	43	ILE	N	N	120.61	0.05	1
169	1	44	ASP	H	H	8.52	0.02	1
170	1	44	ASP	HA	H	4.49	0.02	1
171	1	44	ASP	HB2	H	2.95	0.02	1
172	1	44	ASP	HB3	H	2.78	0.02	1
173	1	44	ASP	C	C	179.11	0.05	1
174	1	44	ASP	CA	C	57.01	0.05	1
175	1	44	ASP	CB	C	39.83	0.05	1
176	1	44	ASP	N	N	120.4	0.05	1
177	1	45	ALA	H	H	7.96	0.02	1
178	1	45	ALA	HA	H	4.17	0.02	1
179	1	45	ALA	HB1	H	1.64	0.02	1
180	1	45	ALA	HB2	H	1.64	0.02	1
181	1	45	ALA	HB3	H	1.64	0.02	1
182	1	45	ALA	C	C	180.67	0.05	1
183	1	45	ALA	CA	C	54.41	0.05	1
184	1	45	ALA	CB	C	17.07	0.05	1
185	1	45	ALA	N	N	124.49	0.05	1
186	1	46	ASP	H	H	9.21	0.02	1
187	1	46	ASP	HA	H	4.6	0.02	1
188	1	46	ASP	HB2	H	3.5	0.02	1
189	1	46	ASP	HB3	H	3.16	0.02	1
190	1	46	ASP	C	C	178.57	0.05	1
191	1	46	ASP	CA	C	54.88	0.05	1
192	1	46	ASP	CB	C	38.26	0.05	1
193	1	46	ASP	N	N	120.56	0.05	1
194	1	47	ALA	H	H	9.22	0.02	1
195	1	47	ALA	HA	H	3.76	0.02	1
196	1	47	ALA	HB1	H	1.63	0.02	1
197	1	47	ALA	HB2	H	1.63	0.02	1
198	1	47	ALA	HB3	H	1.63	0.02	1
199	1	47	ALA	C	C	178.79	0.05	1
200	1	47	ALA	CA	C	54.24	0.05	1
201	1	47	ALA	CB	C	18.31	0.05	1
202	1	47	ALA	N	N	124.4	0.05	1
203	1	48	ALA	H	H	7.79	0.02	1
204	1	48	ALA	HA	H	4.17	0.02	1
205	1	48	ALA	HB1	H	1.67	0.02	1
206	1	48	ALA	HB2	H	1.67	0.02	1
207	1	48	ALA	HB3	H	1.67	0.02	1
208	1	48	ALA	C	C	179.05	0.05	1
209	1	48	ALA	CA	C	54.33	0.05	1
210	1	48	ALA	CB	C	16.88	0.05	1
211	1	48	ALA	N	N	121.91	0.05	1
212	1	49	ALA	H	H	7.78	0.02	1
213	1	49	ALA	HA	H	4.36	0.02	1
214	1	49	ALA	HB1	H	1.6	0.02	1
215	1	49	ALA	HB2	H	1.6	0.02	1
216	1	49	ALA	HB3	H	1.6	0.02	1
217	1	49	ALA	C	C	179.03	0.05	1
218	1	49	ALA	CA	C	54.44	0.05	1
219	1	49	ALA	CB	C	17.46	0.05	1
220	1	49	ALA	N	N	121.21	0.05	1
221	1	50	LEU	H	H	8.43	0.02	1
222	1	50	LEU	HA	H	4.17	0.02	1
223	1	50	LEU	HB2	H	1.85	0.02	1
224	1	50	LEU	HB3	H	1.41	0.02	1
225	1	50	LEU	HG	H	1.4	0.02	1
226	1	50	LEU	HD11	H	0.53	0.02	1
227	1	50	LEU	HD12	H	0.53	0.02	1
228	1	50	LEU	HD13	H	0.53	0.02	1
229	1	50	LEU	HD21	H	0.89	0.02	1
230	1	50	LEU	HD22	H	0.89	0.02	1
231	1	50	LEU	HD23	H	0.89	0.02	1
232	1	50	LEU	C	C	177.6	0.05	1
233	1	50	LEU	CA	C	56.78	0.05	1
234	1	50	LEU	CB	C	41.1	0.05	1
235	1	50	LEU	CG	C	26.24	0.05	1
236	1	50	LEU	CD1	C	25.86	0.05	1
237	1	50	LEU	CD2	C	22.68	0.05	1
238	1	50	LEU	N	N	118.48	0.05	1
239	1	51	SER	H	H	8.13	0.02	1
240	1	51	SER	HA	H	3.98	0.02	1
241	1	51	SER	HB2	H	3.97	0.02	1
242	1	51	SER	HB3	H	3.97	0.02	1
243	1	51	SER	C	C	173.79	0.05	1
244	1	51	SER	CA	C	61.24	0.05	1
245	1	51	SER	CB	C	62.19	0.05	1
246	1	51	SER	N	N	112.38	0.05	1
247	1	52	GLU	H	H	7.54	0.02	1
248	1	52	GLU	HA	H	4.43	0.02	1
249	1	52	GLU	HB2	H	2.26	0.02	1
250	1	52	GLU	HB3	H	2.26	0.02	1
251	1	52	GLU	HG2	H	2.45	0.02	1
252	1	52	GLU	HG3	H	2.36	0.02	1
253	1	52	GLU	C	C	177.44	0.05	1
254	1	52	GLU	CA	C	57.46	0.05	1
255	1	52	GLU	CB	C	30.02	0.05	1
256	1	52	GLU	CG	C	35.16	0.05	1
257	1	52	GLU	N	N	119.59	0.05	1
258	1	53	THR	H	H	8.51	0.02	1
259	1	53	THR	HA	H	4.42	0.02	1
260	1	53	THR	HB	H	4.36	0.02	1
261	1	53	THR	HG21	H	1.41	0.02	1
262	1	53	THR	HG22	H	1.41	0.02	1
263	1	53	THR	HG23	H	1.41	0.02	1
264	1	53	THR	C	C	175.11	0.05	1
265	1	53	THR	CA	C	62.49	0.05	1
266	1	53	THR	CB	C	68.11	0.05	1
267	1	53	THR	CG2	C	21.23	0.05	1
268	1	53	THR	N	N	111.27	0.05	1
269	1	54	ARG	H	H	8.6	0.02	1
270	1	54	ARG	HA	H	3.95	0.02	1
271	1	54	ARG	HB2	H	1.67	0.02	1
272	1	54	ARG	HB3	H	1.67	0.02	1
273	1	54	ARG	HG2	H	2.11	0.02	1
274	1	54	ARG	HG3	H	2.11	0.02	1
275	1	54	ARG	HD2	H	3.28	0.02	1
276	1	54	ARG	HD3	H	3.28	0.02	1
277	1	54	ARG	C	C	171.88	0.05	1
278	1	54	ARG	CA	C	56.18	0.05	1
279	1	54	ARG	CB	C	27.08	0.05	1
280	1	54	ARG	CG	C	27.16	0.05	1
281	1	54	ARG	CD	C	42.2	0.05	1
282	1	54	ARG	N	N	117.33	0.05	1
283	1	55	THR	H	H	7.48	0.02	1
284	1	55	THR	HA	H	4.83	0.02	1
285	1	55	THR	HB	H	4.77	0.02	1
286	1	55	THR	HG21	H	1.4	0.02	1
287	1	55	THR	HG22	H	1.4	0.02	1
288	1	55	THR	HG23	H	1.4	0.02	1
289	1	55	THR	C	C	172.65	0.05	1
290	1	55	THR	CA	C	58.79	0.05	1
291	1	55	THR	CB	C	71.14	0.05	1
292	1	55	THR	CG2	C	21.08	0.05	1
293	1	55	THR	N	N	124.75	0.05	1
294	1	56	ILE	H	H	8.6	0.02	1
295	1	56	ILE	HA	H	3.97	0.02	1
296	1	56	ILE	HB	H	1.95	0.02	1
297	1	56	ILE	HG12	H	1.67	0.02	1
298	1	56	ILE	HG13	H	1.48	0.02	1
299	1	56	ILE	C	C	175.29	0.05	1
300	1	56	ILE	CA	C	62.08	0.05	1
301	1	56	ILE	CB	C	36.91	0.05	1
302	1	56	ILE	CG1	C	27.8	0.05	1
303	1	56	ILE	N	N	120.26	0.05	1
304	1	57	GLU	H	H	8.57	0.02	1
305	1	57	GLU	HA	H	4.23	0.02	1
306	1	57	GLU	HB2	H	2.14	0.02	1
307	1	57	GLU	HB3	H	2.02	0.02	1
308	1	57	GLU	HG2	H	2.54	0.02	1
309	1	57	GLU	HG3	H	2.39	0.02	1
310	1	57	GLU	C	C	179.19	0.05	1
311	1	57	GLU	CA	C	59.95	0.05	1
312	1	57	GLU	CB	C	27.8	0.05	1
313	1	57	GLU	CG	C	36.46	0.05	1
314	1	57	GLU	N	N	120.94	0.05	1
315	1	58	GLU	H	H	7.72	0.02	1
316	1	58	GLU	HA	H	4.39	0.02	1
317	1	58	GLU	HB2	H	2.24	0.02	1
318	1	58	GLU	HB3	H	2.17	0.02	1
319	1	58	GLU	HG2	H	2.43	0.02	1
320	1	58	GLU	HG3	H	2.39	0.02	1
321	1	58	GLU	C	C	179.65	0.05	1
322	1	58	GLU	CA	C	58.38	0.05	1
323	1	58	GLU	CB	C	28.89	0.05	1
324	1	58	GLU	CG	C	37.31	0.05	1
325	1	58	GLU	N	N	118.32	0.05	1
326	1	59	LEU	H	H	8.26	0.02	1
327	1	59	LEU	HA	H	4.18	0.02	1
328	1	59	LEU	HB2	H	1.67	0.02	1
329	1	59	LEU	HB3	H	1.58	0.02	1
330	1	59	LEU	HG	H	1.8	0.02	1
331	1	59	LEU	HD11	H	1.18	0.02	1
332	1	59	LEU	HD12	H	1.18	0.02	1
333	1	59	LEU	HD13	H	1.18	0.02	1
334	1	59	LEU	HD21	H	1.09	0.02	1
335	1	59	LEU	HD22	H	1.09	0.02	1
336	1	59	LEU	HD23	H	1.09	0.02	1
337	1	59	LEU	C	C	177.17	0.05	1
338	1	59	LEU	CA	C	57.3	0.05	1
339	1	59	LEU	CB	C	40.42	0.05	1
340	1	59	LEU	CG	C	26.63	0.05	1
341	1	59	LEU	CD1	C	22.76	0.05	1
342	1	59	LEU	CD2	C	26.18	0.05	1
343	1	59	LEU	N	N	124.13	0.05	1
344	1	60	ASP	H	H	9.07	0.02	1
345	1	60	ASP	HA	H	4.84	0.02	1
346	1	60	ASP	HB2	H	2.93	0.02	1
347	1	60	ASP	HB3	H	2.69	0.02	1
348	1	60	ASP	C	C	178.97	0.05	1
349	1	60	ASP	CA	C	57.3	0.05	1
350	1	60	ASP	CB	C	39.02	0.05	1
351	1	60	ASP	N	N	121.63	0.05	1
352	1	61	THR	H	H	7.82	0.02	1
353	1	61	THR	HA	H	3.95	0.02	1
354	1	61	THR	HB	H	4.44	0.02	1
355	1	61	THR	HG21	H	1.34	0.02	1
356	1	61	THR	HG22	H	1.34	0.02	1
357	1	61	THR	HG23	H	1.34	0.02	1
358	1	61	THR	C	C	174.38	0.05	1
359	1	61	THR	CA	C	66.23	0.05	1
360	1	61	THR	CB	C	68.11	0.05	1
361	1	61	THR	CG2	C	21.42	0.05	1
362	1	61	THR	N	N	117.71	0.05	1
363	1	62	PHE	H	H	7.88	0.02	1
364	1	62	PHE	HA	H	4.55	0.02	1
365	1	62	PHE	HB2	H	3.56	0.02	1
366	1	62	PHE	HB3	H	3.21	0.02	1
367	1	62	PHE	HD1	H	7.14	0.02	1
368	1	62	PHE	HD2	H	7.14	0.02	1
369	1	62	PHE	HE1	H	7.01	0.02	1
370	1	62	PHE	HE2	H	7.01	0.02	1
371	1	62	PHE	HZ	H	7.15	0.02	1
372	1	62	PHE	C	C	176.16	0.05	1
373	1	62	PHE	CA	C	60.9	0.05	1
374	1	62	PHE	CB	C	39	0.05	1
375	1	62	PHE	CD1	C	131.4	0.05	1
376	1	62	PHE	CD2	C	131.4	0.05	1
377	1	62	PHE	CE1	C	130.5	0.05	1
378	1	62	PHE	CE2	C	130.5	0.05	1
379	1	62	PHE	CZ	C	129.1	0.05	1
380	1	62	PHE	N	N	121.11	0.05	1
381	1	63	LYS	H	H	9.03	0.02	1
382	1	63	LYS	HA	H	3.72	0.02	1
383	1	63	LYS	HB2	H	2.15	0.02	1
384	1	63	LYS	HB3	H	1.99	0.02	1
385	1	63	LYS	HG2	H	2.04	0.02	1
386	1	63	LYS	HG3	H	1.54	0.02	1
387	1	63	LYS	HD2	H	1.86	0.02	1
388	1	63	LYS	HD3	H	1.73	0.02	1
389	1	63	LYS	HE2	H	3.03	0.02	1
390	1	63	LYS	HE3	H	2.98	0.02	1
391	1	63	LYS	C	C	178.37	0.05	1
392	1	63	LYS	CA	C	60.4	0.05	1
393	1	63	LYS	CB	C	31.6	0.05	1
394	1	63	LYS	CG	C	26.34	0.05	1
395	1	63	LYS	CD	C	29.35	0.05	1
396	1	63	LYS	CE	C	40.86	0.05	1
397	1	63	LYS	N	N	117.29	0.05	1
398	1	64	LEU	H	H	8.12	0.02	1
399	1	64	LEU	HA	H	4.17	0.02	1
400	1	64	LEU	HB2	H	1.87	0.02	1
401	1	64	LEU	HB3	H	1.69	0.02	1
402	1	64	LEU	HD11	H	0.99	0.02	1
403	1	64	LEU	HD12	H	0.99	0.02	1
404	1	64	LEU	HD13	H	0.99	0.02	1
405	1	64	LEU	HD21	H	0.98	0.02	1
406	1	64	LEU	HD22	H	0.98	0.02	1
407	1	64	LEU	HD23	H	0.98	0.02	1
408	1	64	LEU	C	C	178.23	0.05	1
409	1	64	LEU	CA	C	57.31	0.05	1
410	1	64	LEU	CB	C	40.78	0.05	1
411	1	64	LEU	CG	C	26.01	0.05	1
412	1	64	LEU	CD1	C	24.17	0.05	1
413	1	64	LEU	CD2	C	22.99	0.05	1
414	1	64	LEU	N	N	121.9	0.05	1
415	1	65	ASP	H	H	8.25	0.02	1
416	1	65	ASP	HA	H	4.6	0.02	1
417	1	65	ASP	HB2	H	3.01	0.02	1
418	1	65	ASP	HB3	H	2.55	0.02	1
419	1	65	ASP	C	C	179.55	0.05	1
420	1	65	ASP	CA	C	56.01	0.05	1
421	1	65	ASP	CB	C	37.59	0.05	1
422	1	65	ASP	N	N	120.18	0.05	1
423	1	66	VAL	H	H	8.51	0.02	1
424	1	66	VAL	HA	H	3.54	0.02	1
425	1	66	VAL	HB	H	1.98	0.02	1
426	1	66	VAL	HG11	H	0.92	0.02	1
427	1	66	VAL	HG12	H	0.92	0.02	1
428	1	66	VAL	HG13	H	0.92	0.02	1
429	1	66	VAL	HG21	H	0.34	0.02	1
430	1	66	VAL	HG22	H	0.34	0.02	1
431	1	66	VAL	HG23	H	0.34	0.02	1
432	1	66	VAL	C	C	177.09	0.05	1
433	1	66	VAL	CA	C	66.46	0.05	1
434	1	66	VAL	CB	C	30.37	0.05	1
435	1	66	VAL	CG1	C	21.16	0.05	1
436	1	66	VAL	CG2	C	22.29	0.05	1
437	1	66	VAL	N	N	122.78	0.05	1
438	1	67	ALA	H	H	8.1	0.02	1
439	1	67	ALA	HA	H	4.18	0.02	1
440	1	67	ALA	HB1	H	1.66	0.02	1
441	1	67	ALA	HB2	H	1.66	0.02	1
442	1	67	ALA	HB3	H	1.66	0.02	1
443	1	67	ALA	C	C	180.35	0.05	1
444	1	67	ALA	CA	C	54.81	0.05	1
445	1	67	ALA	CB	C	16.97	0.05	1
446	1	67	ALA	N	N	122.71	0.05	1
447	1	68	ASP	H	H	8.26	0.02	1
448	1	68	ASP	HA	H	4.46	0.02	1
449	1	68	ASP	HB2	H	2.97	0.02	1
450	1	68	ASP	HB3	H	2.78	0.02	1
451	1	68	ASP	C	C	178.14	0.05	1
452	1	68	ASP	CA	C	56.52	0.05	1
453	1	68	ASP	CB	C	40.05	0.05	1
454	1	68	ASP	N	N	118.82	0.05	1
455	1	69	PHE	H	H	7.9	0.02	1
456	1	69	PHE	HA	H	4.23	0.02	1
457	1	69	PHE	HB2	H	3.56	0.02	1
458	1	69	PHE	HB3	H	3.09	0.02	1
459	1	69	PHE	HD1	H	7.09	0.02	1
460	1	69	PHE	HD2	H	7.09	0.02	1
461	1	69	PHE	HE1	H	7.34	0.02	1
462	1	69	PHE	HE2	H	7.34	0.02	1
463	1	69	PHE	HZ	H	7.17	0.02	1
464	1	69	PHE	C	C	176.41	0.05	1
465	1	69	PHE	CA	C	61.01	0.05	1
466	1	69	PHE	CB	C	39.33	0.05	1
467	1	69	PHE	CD1	C	131.09	0.05	1
468	1	69	PHE	CD2	C	131.09	0.05	1
469	1	69	PHE	CE1	C	131.05	0.05	1
470	1	69	PHE	CE2	C	131.05	0.05	1
471	1	69	PHE	CZ	C	129.1	0.05	1
472	1	69	PHE	N	N	122.92	0.05	1
473	1	70	VAL	H	H	8.9	0.02	1
474	1	70	VAL	HA	H	3.55	0.02	1
475	1	70	VAL	HB	H	2.39	0.02	1
476	1	70	VAL	HG11	H	1.06	0.02	1
477	1	70	VAL	HG12	H	1.06	0.02	1
478	1	70	VAL	HG13	H	1.06	0.02	1
479	1	70	VAL	HG21	H	1.2	0.02	1
480	1	70	VAL	HG22	H	1.2	0.02	1
481	1	70	VAL	HG23	H	1.2	0.02	1
482	1	70	VAL	C	C	176.93	0.05	1
483	1	70	VAL	CA	C	66.64	0.05	1
484	1	70	VAL	CB	C	30.64	0.05	1
485	1	70	VAL	CG1	C	21.54	0.05	1
486	1	70	VAL	CG2	C	22.32	0.05	1
487	1	70	VAL	N	N	118.64	0.05	1
488	1	71	THR	H	H	8.49	0.02	1
489	1	71	THR	HA	H	3.94	0.02	1
490	1	71	THR	HB	H	4.44	0.02	1
491	1	71	THR	HG21	H	1.34	0.02	1
492	1	71	THR	HG22	H	1.34	0.02	1
493	1	71	THR	HG23	H	1.34	0.02	1
494	1	71	THR	C	C	176.08	0.05	1
495	1	71	THR	CA	C	66.19	0.05	1
496	1	71	THR	CB	C	67.93	0.05	1
497	1	71	THR	CG2	C	22.41	0.05	1
498	1	71	THR	N	N	115.17	0.05	1
499	1	72	THR	H	H	7.82	0.02	1
500	1	72	THR	HA	H	3.96	0.02	1
501	1	72	THR	HB	H	4.44	0.02	1
502	1	72	THR	HG21	H	1.34	0.02	1
503	1	72	THR	HG22	H	1.34	0.02	1
504	1	72	THR	HG23	H	1.34	0.02	1
505	1	72	THR	C	C	176.08	0.05	1
506	1	72	THR	CA	C	66.6	0.05	1
507	1	72	THR	CB	C	67.38	0.05	1
508	1	72	THR	CG2	C	20.91	0.05	1
509	1	72	THR	N	N	118.59	0.05	1
510	1	73	VAL	H	H	8.4	0.02	1
511	1	73	VAL	HA	H	3.6	0.02	1
512	1	73	VAL	HB	H	2.25	0.02	1
513	1	73	VAL	HG11	H	0.87	0.02	1
514	1	73	VAL	HG12	H	0.87	0.02	1
515	1	73	VAL	HG13	H	0.87	0.02	1
516	1	73	VAL	HG21	H	0.95	0.02	1
517	1	73	VAL	HG22	H	0.95	0.02	1
518	1	73	VAL	HG23	H	0.95	0.02	1
519	1	73	VAL	C	C	179.02	0.05	1
520	1	73	VAL	CA	C	65.94	0.05	1
521	1	73	VAL	CB	C	30.37	0.05	1
522	1	73	VAL	CG1	C	22.56	0.05	1
523	1	73	VAL	CG2	C	21.29	0.05	1
524	1	73	VAL	N	N	121.01	0.05	1
525	1	74	VAL	H	H	8.49	0.02	1
526	1	74	VAL	HA	H	3.65	0.02	1
527	1	74	VAL	HB	H	2.25	0.02	1
528	1	74	VAL	HG11	H	1.08	0.02	1
529	1	74	VAL	HG12	H	1.08	0.02	1
530	1	74	VAL	HG13	H	1.08	0.02	1
531	1	74	VAL	HG21	H	1.1	0.02	1
532	1	74	VAL	HG22	H	1.1	0.02	1
533	1	74	VAL	HG23	H	1.1	0.02	1
534	1	74	VAL	C	C	178.33	0.05	1
535	1	74	VAL	CA	C	66.31	0.05	1
536	1	74	VAL	CB	C	30.63	0.05	1
537	1	74	VAL	CG1	C	20.63	0.05	1
538	1	74	VAL	CG2	C	22.29	0.05	1
539	1	74	VAL	N	N	120.38	0.05	1
540	1	75	GLN	H	H	7.84	0.02	1
541	1	75	GLN	HA	H	4.23	0.02	1
542	1	75	GLN	HB2	H	2.34	0.02	1
543	1	75	GLN	HB3	H	2.27	0.02	1
544	1	75	GLN	HG2	H	2.69	0.02	1
545	1	75	GLN	HG3	H	2.5	0.02	1
546	1	75	GLN	C	C	179.04	0.05	1
547	1	75	GLN	CA	C	58.24	0.05	1
548	1	75	GLN	CB	C	27.38	0.05	1
549	1	75	GLN	CG	C	33.3	0.05	1
550	1	75	GLN	N	N	118.94	0.05	1
551	1	76	LEU	H	H	8.07	0.02	1
552	1	76	LEU	HA	H	4.31	0.02	1
553	1	76	LEU	HB2	H	2.01	0.02	1
554	1	76	LEU	HB3	H	1.67	0.02	1
555	1	76	LEU	HG	H	1.94	0.02	1
556	1	76	LEU	HD11	H	1.01	0.02	1
557	1	76	LEU	HD12	H	1.01	0.02	1
558	1	76	LEU	HD13	H	1.01	0.02	1
559	1	76	LEU	HD21	H	0.78	0.02	1
560	1	76	LEU	HD22	H	0.78	0.02	1
561	1	76	LEU	HD23	H	0.78	0.02	1
562	1	76	LEU	C	C	178.09	0.05	1
563	1	76	LEU	CA	C	56.24	0.05	1
564	1	76	LEU	CB	C	41.1	0.05	1
565	1	76	LEU	CG	C	25.83	0.05	1
566	1	76	LEU	CD1	C	22.64	0.05	1
567	1	76	LEU	CD2	C	24.34	0.05	1
568	1	76	LEU	N	N	119.99	0.05	1
569	1	77	ALA	H	H	8.26	0.02	1
570	1	77	ALA	HA	H	4.16	0.02	1
571	1	77	ALA	HB1	H	1.67	0.02	1
572	1	77	ALA	HB2	H	1.67	0.02	1
573	1	77	ALA	HB3	H	1.67	0.02	1
574	1	77	ALA	C	C	179.55	0.05	1
575	1	77	ALA	CA	C	54.57	0.05	1
576	1	77	ALA	CB	C	17.57	0.05	1
577	1	77	ALA	N	N	121.85	0.05	1
578	1	78	GLU	H	H	8.31	0.02	1
579	1	78	GLU	HA	H	4.2	0.02	1
580	1	78	GLU	HB2	H	2.19	0.02	1
581	1	78	GLU	HB3	H	2.11	0.02	1
582	1	78	GLU	HG2	H	2.4	0.02	1
583	1	78	GLU	HG3	H	2.4	0.02	1
584	1	78	GLU	C	C	178.15	0.05	1
585	1	78	GLU	CA	C	58.33	0.05	1
586	1	78	GLU	CB	C	28.94	0.05	1
587	1	78	GLU	CG	C	35.83	0.05	1
588	1	78	GLU	N	N	117.29	0.05	1
589	1	79	GLU	H	H	8.09	0.02	1
590	1	79	GLU	HA	H	4.3	0.02	1
591	1	79	GLU	HB3	H	2.27	0.02	1
592	1	79	GLU	HG3	H	2.43	0.02	1
593	1	79	GLU	C	C	178.29	0.05	1
594	1	79	GLU	CA	C	58.07	0.05	1
595	1	79	GLU	CB	C	28.9	0.05	1
596	1	79	GLU	CG	C	35.28	0.05	1
597	1	79	GLU	N	N	119.69	0.05	1
598	1	80	LEU	H	H	8.29	0.02	1
599	1	80	LEU	HA	H	4.32	0.02	1
600	1	80	LEU	HB2	H	1.74	0.02	1
601	1	80	LEU	HB3	H	1.67	0.02	1
602	1	80	LEU	HD11	H	1.02	0.02	1
603	1	80	LEU	HD12	H	1.02	0.02	1
604	1	80	LEU	HD13	H	1.02	0.02	1
605	1	80	LEU	HD21	H	0.81	0.02	1
606	1	80	LEU	HD22	H	0.81	0.02	1
607	1	80	LEU	HD23	H	0.81	0.02	1
608	1	80	LEU	C	C	178.2	0.05	1
609	1	80	LEU	CA	C	56.38	0.05	1
610	1	80	LEU	CB	C	41.03	0.05	1
611	1	80	LEU	CG	C	26.18	0.05	1
612	1	80	LEU	CD1	C	24.49	0.05	1
613	1	80	LEU	CD2	C	22.34	0.05	1
614	1	80	LEU	N	N	119.58	0.05	1
615	1	81	GLU	H	H	8.07	0.02	1
616	1	81	GLU	HA	H	4.28	0.02	1
617	1	81	GLU	CA	C	58.19	0.05	1
618	1	81	GLU	CB	C	28.83	0.05	1
619	1	81	GLU	CG	C	35.78	0.05	1
620	1	81	GLU	N	N	119.33	0.05	1
621	1	82	HIS	HD2	H	7.41	0.02	1
622	1	84	PHE	HA	H	4.32	0.02	1
623	1	84	PHE	HB2	H	3.26	0.02	1
624	1	84	PHE	HB3	H	3.15	0.02	1
625	1	84	PHE	HD1	H	7.22	0.02	1
626	1	84	PHE	HD2	H	7.22	0.02	1
627	1	92	THR	HG21	H	1.11	0.02	1
628	1	92	THR	HG22	H	1.11	0.02	1
629	1	92	THR	HG23	H	1.11	0.02	1
630	1	92	THR	CA	C	66.52	0.05	1
631	1	92	THR	CB	C	68.19	0.05	1
632	1	92	THR	CG2	C	20.62	0.05	1
633	1	93	GLU	HA	H	4.19	0.02	1
634	1	93	GLU	C	C	178.23	0.05	1
635	1	93	GLU	CA	C	57.93	0.05	1
636	1	93	GLU	CB	C	28.76	0.05	1
637	1	93	GLU	CG	C	36.08	0.05	1
638	1	94	ILE	H	H	7.99	0.02	1
639	1	94	ILE	HA	H	3.75	0.02	1
640	1	94	ILE	HB	H	1.93	0.02	1
641	1	94	ILE	HG12	H	1.63	0.02	1
642	1	94	ILE	HG13	H	1.19	0.02	1
643	1	94	ILE	C	C	177.1	0.05	1
644	1	94	ILE	CA	C	64.29	0.05	1
645	1	94	ILE	CB	C	36.85	0.05	1
646	1	94	ILE	CG1	C	27.99	0.05	1
647	1	94	ILE	N	N	119.55	0.05	1
648	1	95	TYR	HA	H	4.24	0.02	1
649	1	95	TYR	HB2	H	3.29	0.02	1
650	1	95	TYR	HB3	H	3.17	0.02	1
651	1	95	TYR	HD1	H	7.19	0.02	1
652	1	95	TYR	HD2	H	7.19	0.02	1
653	1	95	TYR	HE1	H	6.9	0.02	1
654	1	95	TYR	HE2	H	6.9	0.02	1
655	1	95	TYR	C	C	177.86	0.05	1
656	1	95	TYR	CA	C	59.48	0.05	1
657	1	95	TYR	CB	C	36.31	0.05	1
658	1	95	TYR	CD1	C	130.3	0.05	1
659	1	95	TYR	CD2	C	130.3	0.05	1
660	1	95	TYR	CE1	C	118.39	0.05	1
661	1	95	TYR	CE2	C	118.39	0.05	1
662	1	95	TYR	N	N	118.14	0.05	1
663	1	96	LYS	H	H	7.68	0.02	1
664	1	96	LYS	HA	H	4.2	0.02	1
665	1	96	LYS	HB2	H	2.11	0.02	1
666	1	96	LYS	HB3	H	2.11	0.02	1
667	1	96	LYS	C	C	178.34	0.05	1
668	1	96	LYS	CA	C	58.56	0.05	1
669	1	96	LYS	CB	C	31.65	0.05	1
670	1	96	LYS	CG	C	24.47	0.05	1
671	1	96	LYS	CD	C	29.03	0.05	1
672	1	96	LYS	CE	C	40.31	0.05	1
673	1	96	LYS	N	N	119.46	0.05	1
674	1	97	ILE	H	H	7.77	0.02	1
675	1	97	ILE	HA	H	3.93	0.02	1
676	1	97	ILE	HB	H	2.12	0.02	1
677	1	97	ILE	HG12	H	1.88	0.02	1
678	1	97	ILE	HG13	H	1.3	0.02	1
679	1	97	ILE	C	C	177.3	0.05	1
680	1	97	ILE	CA	C	64.17	0.05	1
681	1	97	ILE	CB	C	36.83	0.05	1
682	1	97	ILE	CG1	C	28.07	0.05	1
683	1	97	ILE	N	N	120.78	0.05	1
684	1	98	VAL	H	H	8.37	0.02	1
685	1	98	VAL	HA	H	3.48	0.02	1
686	1	98	VAL	HB	H	2.25	0.02	1
687	1	98	VAL	HG11	H	0.96	0.02	1
688	1	98	VAL	HG12	H	0.96	0.02	1
689	1	98	VAL	HG13	H	0.96	0.02	1
690	1	98	VAL	HG21	H	1.07	0.02	1
691	1	98	VAL	HG22	H	1.07	0.02	1
692	1	98	VAL	HG23	H	1.07	0.02	1
693	1	98	VAL	C	C	177.25	0.05	1
694	1	98	VAL	CA	C	66.82	0.05	1
695	1	98	VAL	CB	C	30.69	0.05	1
696	1	98	VAL	CG1	C	20.85	0.05	1
697	1	98	VAL	CG2	C	22.2	0.05	1
698	1	98	VAL	N	N	119.54	0.05	1
699	1	99	LYS	H	H	7.77	0.02	1
700	1	99	LYS	HA	H	4.31	0.02	1
701	1	99	LYS	HB3	H	2.02	0.02	1
702	1	99	LYS	C	C	179.86	0.05	1
703	1	99	LYS	CA	C	58.41	0.05	1
704	1	99	LYS	CB	C	31.15	0.05	1
705	1	99	LYS	CG	C	24.14	0.05	1
706	1	99	LYS	CD	C	28.04	0.05	1
707	1	99	LYS	CE	C	41.71	0.05	1
708	1	99	LYS	N	N	118.18	0.05	1
709	1	100	GLU	H	H	7.76	0.02	1
710	1	100	GLU	HA	H	4.2	0.02	1
711	1	100	GLU	HB2	H	2.3	0.02	1
712	1	100	GLU	HB3	H	2.3	0.02	1
713	1	100	GLU	HG2	H	2.44	0.02	1
714	1	100	GLU	HG3	H	2.44	0.02	1
715	1	100	GLU	C	C	178.72	0.05	1
716	1	100	GLU	CA	C	58.36	0.05	1
717	1	100	GLU	CB	C	28.62	0.05	1
718	1	100	GLU	CG	C	35.29	0.05	1
719	1	100	GLU	N	N	121.25	0.05	1
720	1	101	VAL	H	H	8.63	0.02	1
721	1	101	VAL	HA	H	3.48	0.02	1
722	1	101	VAL	HB	H	2.51	0.02	1
723	1	101	VAL	HG11	H	0.96	0.02	1
724	1	101	VAL	HG12	H	0.96	0.02	1
725	1	101	VAL	HG13	H	0.96	0.02	1
726	1	101	VAL	HG21	H	1.12	0.02	1
727	1	101	VAL	HG22	H	1.12	0.02	1
728	1	101	VAL	HG23	H	1.12	0.02	1
729	1	101	VAL	C	C	175.88	0.05	1
730	1	101	VAL	CA	C	66.87	0.05	1
731	1	101	VAL	CB	C	30.45	0.05	1
732	1	101	VAL	CG1	C	20.83	0.05	1
733	1	101	VAL	CG2	C	23.75	0.05	1
734	1	101	VAL	N	N	121.55	0.05	1
735	1	102	ASP	H	H	8.33	0.02	1
736	1	102	ASP	HA	H	4.47	0.02	1
737	1	102	ASP	HB2	H	2.94	0.02	1
738	1	102	ASP	HB3	H	2.75	0.02	1
739	1	102	ASP	C	C	178.42	0.05	1
740	1	102	ASP	CA	C	57.29	0.05	1
741	1	102	ASP	CB	C	39.99	0.05	1
742	1	102	ASP	N	N	119.63	0.05	1
743	1	103	ARG	H	H	7.8	0.02	1
744	1	103	ARG	HA	H	4.21	0.02	1
745	1	103	ARG	HB2	H	1.86	0.02	1
746	1	103	ARG	HB3	H	1.81	0.02	1
747	1	103	ARG	HG2	H	1.87	0.02	1
748	1	103	ARG	HG3	H	1.87	0.02	1
749	1	103	ARG	HD2	H	3.37	0.02	1
750	1	103	ARG	HD3	H	3.37	0.02	1
751	1	103	ARG	C	C	178.68	0.05	1
752	1	103	ARG	CA	C	58.43	0.05	1
753	1	103	ARG	CB	C	29.15	0.05	1
754	1	103	ARG	CG	C	26.38	0.05	1
755	1	103	ARG	CD	C	42.72	0.05	1
756	1	103	ARG	N	N	119.62	0.05	1
757	1	104	LYS	H	H	8.47	0.02	1
758	1	104	LYS	HA	H	4.34	0.02	1
759	1	104	LYS	HB2	H	2.12	0.02	1
760	1	104	LYS	HB3	H	1.94	0.02	1
761	1	104	LYS	HG2	H	1.79	0.02	1
762	1	104	LYS	HG3	H	1.69	0.02	1
763	1	104	LYS	HD2	H	1.89	0.02	1
764	1	104	LYS	HD3	H	1.7	0.02	1
765	1	104	LYS	HE2	H	3.07	0.02	1
766	1	104	LYS	HE3	H	3.07	0.02	1
767	1	104	LYS	C	C	179.58	0.05	1
768	1	104	LYS	CA	C	57.9	0.05	1
769	1	104	LYS	CB	C	31.1	0.05	1
770	1	104	LYS	CG	C	24.66	0.05	1
771	1	104	LYS	CD	C	27.34	0.05	1
772	1	104	LYS	CE	C	41.47	0.05	1
773	1	104	LYS	N	N	119.79	0.05	1
774	1	105	LEU	H	H	8.91	0.02	1
775	1	105	LEU	HA	H	4.16	0.02	1
776	1	105	LEU	HB2	H	2.37	0.02	1
777	1	105	LEU	HB3	H	1.49	0.02	1
778	1	105	LEU	HG	H	1.4	0.02	1
779	1	105	LEU	HD11	H	1.09	0.02	1
780	1	105	LEU	HD12	H	1.09	0.02	1
781	1	105	LEU	HD13	H	1.09	0.02	1
782	1	105	LEU	HD21	H	1.08	0.02	1
783	1	105	LEU	HD22	H	1.08	0.02	1
784	1	105	LEU	HD23	H	1.08	0.02	1
785	1	105	LEU	C	C	180	0.05	1
786	1	105	LEU	CA	C	57.3	0.05	1
787	1	105	LEU	CB	C	41.23	0.05	1
788	1	105	LEU	CG	C	26.08	0.05	1
789	1	105	LEU	CD1	C	25.2	0.05	1
790	1	105	LEU	CD2	C	23.04	0.05	1
791	1	105	LEU	N	N	120.57	0.05	1
792	1	106	LEU	H	H	7.9	0.02	1
793	1	106	LEU	HA	H	3.99	0.02	1
794	1	106	LEU	HB2	H	1.91	0.02	1
795	1	106	LEU	HB3	H	1.85	0.02	1
796	1	106	LEU	HD11	H	0.93	0.02	1
797	1	106	LEU	HD12	H	0.93	0.02	1
798	1	106	LEU	HD13	H	0.93	0.02	1
799	1	106	LEU	HD21	H	0.99	0.02	1
800	1	106	LEU	HD22	H	0.99	0.02	1
801	1	106	LEU	HD23	H	0.99	0.02	1
802	1	106	LEU	C	C	176.48	0.05	1
803	1	106	LEU	CA	C	57.93	0.05	1
804	1	106	LEU	CB	C	40.11	0.05	1
805	1	106	LEU	CG	C	25.86	0.05	1
806	1	106	LEU	CD1	C	24.24	0.05	1
807	1	106	LEU	CD2	C	22.45	0.05	1
808	1	106	LEU	N	N	124.38	0.05	1
809	1	107	ASP	H	H	8.01	0.02	1
810	1	107	ASP	HA	H	4.53	0.02	1
811	1	107	ASP	HB2	H	2.96	0.02	1
812	1	107	ASP	HB3	H	2.8	0.02	1
813	1	107	ASP	C	C	179.09	0.05	1
814	1	107	ASP	CA	C	56.97	0.05	1
815	1	107	ASP	CB	C	39.41	0.05	1
816	1	107	ASP	N	N	121.74	0.05	1
817	1	108	LEU	H	H	8.73	0.02	1
818	1	108	LEU	HA	H	4.28	0.02	1
819	1	108	LEU	HB2	H	2.14	0.02	1
820	1	108	LEU	HB3	H	1.8	0.02	1
821	1	108	LEU	HG	H	1.66	0.02	1
822	1	108	LEU	HD11	H	0.98	0.02	1
823	1	108	LEU	HD12	H	0.98	0.02	1
824	1	108	LEU	HD13	H	0.98	0.02	1
825	1	108	LEU	HD21	H	0.8	0.02	1
826	1	108	LEU	HD22	H	0.8	0.02	1
827	1	108	LEU	HD23	H	0.8	0.02	1
828	1	108	LEU	C	C	176.98	0.05	1
829	1	108	LEU	CA	C	57.17	0.05	1
830	1	108	LEU	CB	C	41.48	0.05	1
831	1	108	LEU	CG	C	25.84	0.05	1
832	1	108	LEU	CD1	C	23.96	0.05	1
833	1	108	LEU	CD2	C	26.72	0.05	1
834	1	108	LEU	N	N	122.68	0.05	1
835	1	109	THR	H	H	7.98	0.02	1
836	1	109	THR	HA	H	3.93	0.02	1
837	1	109	THR	HB	H	4.7	0.02	1
838	1	109	THR	HG21	H	1.35	0.02	1
839	1	109	THR	HG22	H	1.35	0.02	1
840	1	109	THR	HG23	H	1.35	0.02	1
841	1	109	THR	C	C	174.62	0.05	1
842	1	109	THR	CA	C	66.51	0.05	1
843	1	109	THR	CB	C	68.29	0.05	1
844	1	109	THR	CG2	C	19.77	0.05	1
845	1	109	THR	N	N	116.68	0.05	1
846	1	110	ASP	H	H	7.69	0.02	1
847	1	110	ASP	HA	H	4.56	0.02	1
848	1	110	ASP	HB2	H	2.95	0.02	1
849	1	110	ASP	HB3	H	2.76	0.02	1
850	1	110	ASP	C	C	177.93	0.05	1
851	1	110	ASP	CA	C	56.25	0.05	1
852	1	110	ASP	CB	C	39.98	0.05	1
853	1	110	ASP	N	N	119.91	0.05	1
854	1	111	ALA	H	H	7.9	0.02	1
855	1	111	ALA	HA	H	4.21	0.02	1
856	1	111	ALA	HB1	H	1.45	0.02	1
857	1	111	ALA	HB2	H	1.45	0.02	1
858	1	111	ALA	HB3	H	1.45	0.02	1
859	1	111	ALA	C	C	178.7	0.05	1
860	1	111	ALA	CA	C	54.06	0.05	1
861	1	111	ALA	CB	C	17.91	0.05	1
862	1	111	ALA	N	N	120.77	0.05	1
863	1	112	VAL	H	H	8.37	0.02	1
864	1	112	VAL	HA	H	3.67	0.02	1
865	1	112	VAL	HB	H	2.25	0.02	1
866	1	112	VAL	HG11	H	0.86	0.02	1
867	1	112	VAL	HG12	H	0.86	0.02	1
868	1	112	VAL	HG13	H	0.86	0.02	1
869	1	112	VAL	HG21	H	1.08	0.02	1
870	1	112	VAL	HG22	H	1.08	0.02	1
871	1	112	VAL	HG23	H	1.08	0.02	1
872	1	112	VAL	C	C	177.28	0.05	1
873	1	112	VAL	CA	C	65.23	0.05	1
874	1	112	VAL	CB	C	30.87	0.05	1
875	1	112	VAL	CG1	C	20.45	0.05	1
876	1	112	VAL	CG2	C	23.26	0.05	1
877	1	112	VAL	N	N	117.37	0.05	1
878	1	113	LEU	H	H	7.96	0.02	1
879	1	113	LEU	HA	H	4.33	0.02	1
880	1	113	LEU	HB2	H	1.94	0.02	1
881	1	113	LEU	HB3	H	1.71	0.02	1
882	1	113	LEU	HG	H	1.93	0.02	1
883	1	113	LEU	HD11	H	0.96	0.02	1
884	1	113	LEU	HD12	H	0.96	0.02	1
885	1	113	LEU	HD13	H	0.96	0.02	1
886	1	113	LEU	HD21	H	0.99	0.02	1
887	1	113	LEU	HD22	H	0.99	0.02	1
888	1	113	LEU	HD23	H	0.99	0.02	1
889	1	113	LEU	C	C	177.06	0.05	1
890	1	113	LEU	CA	C	55.32	0.05	1
891	1	113	LEU	CB	C	41.02	0.05	1
892	1	113	LEU	CG	C	26.23	0.05	1
893	1	113	LEU	CD1	C	21.65	0.05	1
894	1	113	LEU	CD2	C	24.7	0.05	1
895	1	113	LEU	N	N	118.25	0.05	1
896	1	114	ALA	H	H	7.54	0.02	1
897	1	114	ALA	HA	H	4.49	0.02	1
898	1	114	ALA	HB1	H	1.61	0.02	1
899	1	114	ALA	HB2	H	1.61	0.02	1
900	1	114	ALA	HB3	H	1.61	0.02	1
901	1	114	ALA	CA	C	51.77	0.05	1
902	1	114	ALA	CB	C	18.25	0.05	1
903	1	114	ALA	N	N	122.27	0.05	1
904	1	117	LYS	HA	H	4.53	0.02	1
905	1	117	LYS	HB2	H	2.02	0.02	1
906	1	117	LYS	HB3	H	1.92	0.02	1
907	1	117	LYS	HG2	H	1.62	0.02	1
908	1	117	LYS	HG3	H	1.62	0.02	1
909	1	117	LYS	HD2	H	1.84	0.02	1
910	1	117	LYS	HD3	H	1.84	0.02	1
911	1	117	LYS	HE2	H	3.12	0.02	1
912	1	117	LYS	HE3	H	3.12	0.02	1
913	1	117	LYS	C	C	176.59	0.05	1
914	1	117	LYS	CA	C	54.98	0.05	1
915	1	117	LYS	CB	C	32.13	0.05	1
916	1	117	LYS	CG	C	24.34	0.05	1
917	1	117	LYS	CD	C	28.38	0.05	1
918	1	117	LYS	CE	C	40.94	0.05	1
919	1	118	LYS	H	H	8.97	0.02	1
920	1	118	LYS	N	N	122.38	0.05	1
921	1	120	GLU	HA	H	4.2	0.02	1
922	1	120	GLU	C	C	177.89	0.05	1
923	1	120	GLU	CA	C	58.32	0.05	1
924	1	120	GLU	CB	C	28.58	0.05	1
925	1	120	GLU	CG	C	35.58	0.05	1
926	1	121	ASP	H	H	7.59	0.02	1
927	1	121	ASP	HA	H	4.63	0.02	1
928	1	121	ASP	HB2	H	2.97	0.02	1
929	1	121	ASP	HB3	H	2.79	0.02	1
930	1	121	ASP	C	C	178.11	0.05	1
931	1	121	ASP	CA	C	56.05	0.05	1
932	1	121	ASP	CB	C	39.87	0.05	1
933	1	121	ASP	N	N	118.83	0.05	1
934	1	122	ILE	H	H	7.7	0.02	1
935	1	122	ILE	HA	H	3.66	0.02	1
936	1	122	ILE	HB	H	2.12	0.02	1
937	1	122	ILE	HG12	H	1.56	0.02	1
938	1	122	ILE	HG13	H	1.21	0.02	1
939	1	122	ILE	C	C	176.96	0.05	1
940	1	122	ILE	CA	C	63.7	0.05	1
941	1	122	ILE	CB	C	36.39	0.05	1
942	1	122	ILE	CG1	C	28.28	0.05	1
943	1	122	ILE	N	N	120.31	0.05	1
944	1	123	LEU	H	H	8.17	0.02	1
945	1	123	LEU	HA	H	4.18	0.02	1
946	1	123	LEU	HB2	H	1.93	0.02	1
947	1	123	LEU	HB3	H	1.69	0.02	1
948	1	123	LEU	HG	H	1.79	0.02	1
949	1	123	LEU	HD11	H	0.93	0.02	1
950	1	123	LEU	HD12	H	0.93	0.02	1
951	1	123	LEU	HD13	H	0.93	0.02	1
952	1	123	LEU	HD21	H	0.98	0.02	1
953	1	123	LEU	HD22	H	0.98	0.02	1
954	1	123	LEU	HD23	H	0.98	0.02	1
955	1	123	LEU	C	C	179.59	0.05	1
956	1	123	LEU	CA	C	57.72	0.05	1
957	1	123	LEU	CB	C	40.27	0.05	1
958	1	123	LEU	CG	C	26.42	0.05	1
959	1	123	LEU	CD1	C	22.36	0.05	1
960	1	123	LEU	CD2	C	24.17	0.05	1
961	1	123	LEU	N	N	119.38	0.05	1
962	1	124	ASN	H	H	8.12	0.02	1
963	1	124	ASN	HA	H	4.63	0.02	1
964	1	124	ASN	HB2	H	3.03	0.02	1
965	1	124	ASN	C	C	177.93	0.05	1
966	1	124	ASN	CA	C	55.4	0.05	1
967	1	124	ASN	CB	C	37.15	0.05	1
968	1	124	ASN	N	N	118.55	0.05	1
969	1	125	MET	H	H	8.02	0.02	1
970	1	125	MET	HA	H	4.36	0.02	1
971	1	125	MET	HB2	H	2.05	0.02	1
972	1	125	MET	HG2	H	2.14	0.02	1
973	1	125	MET	HG3	H	2.14	0.02	1
974	1	125	MET	HE1	H	2.16	0.02	1
975	1	125	MET	HE2	H	2.16	0.02	1
976	1	125	MET	HE3	H	2.16	0.02	1
977	1	125	MET	C	C	178.99	0.05	1
978	1	125	MET	CA	C	58.62	0.05	1
979	1	125	MET	CB	C	33.12	0.05	1
980	1	125	MET	CG	C	32.66	0.05	1
981	1	125	MET	CE	C	16.43	0.05	1
982	1	125	MET	N	N	120.38	0.05	1
983	1	126	VAL	H	H	8.45	0.02	1
984	1	126	VAL	HA	H	3.54	0.02	1
985	1	126	VAL	HB	H	2.28	0.02	1
986	1	126	VAL	HG11	H	0.88	0.02	1
987	1	126	VAL	HG12	H	0.88	0.02	1
988	1	126	VAL	HG13	H	0.88	0.02	1
989	1	126	VAL	C	C	176.57	0.05	1
990	1	126	VAL	CA	C	66.44	0.05	1
991	1	126	VAL	CB	C	30.4	0.05	1
992	1	126	VAL	CG1	C	20.87	0.05	1
993	1	126	VAL	CG2	C	22.01	0.05	1
994	1	126	VAL	N	N	118.84	0.05	1
995	1	127	ALA	H	H	8.27	0.02	1
996	1	127	ALA	HA	H	4.18	0.02	1
997	1	127	ALA	HB1	H	1.67	0.02	1
998	1	127	ALA	HB2	H	1.67	0.02	1
999	1	127	ALA	HB3	H	1.67	0.02	1
1000	1	127	ALA	C	C	180.44	0.05	1
1001	1	127	ALA	CA	C	54.65	0.05	1
1002	1	127	ALA	CB	C	17.01	0.05	1
1003	1	127	ALA	N	N	122.65	0.05	1
1004	1	128	GLU	H	H	7.94	0.02	1
1005	1	128	GLU	HA	H	4.19	0.02	1
1006	1	128	GLU	C	C	179.05	0.05	1
1007	1	128	GLU	CA	C	58.73	0.05	1
1008	1	128	GLU	CB	C	29.18	0.05	1
1009	1	128	GLU	CG	C	35.76	0.05	1
1010	1	128	GLU	N	N	118.82	0.05	1
1011	1	129	ILE	H	H	7.97	0.02	1
1012	1	129	ILE	HA	H	3.73	0.02	1
1013	1	129	ILE	HB	H	2.26	0.02	1
1014	1	129	ILE	HG12	H	2.16	0.02	1
1015	1	129	ILE	HG13	H	1.03	0.02	1
1016	1	129	ILE	C	C	176.76	0.05	1
1017	1	129	ILE	CA	C	65.63	0.05	1
1018	1	129	ILE	CB	C	37.51	0.05	1
1019	1	129	ILE	CG1	C	30.24	0.05	1
1020	1	129	ILE	N	N	120.06	0.05	1
1021	1	130	LYS	H	H	8.67	0.02	1
1022	1	130	LYS	HA	H	3.77	0.02	1
1023	1	130	LYS	HB2	H	1.97	0.02	1
1024	1	130	LYS	HB3	H	1.97	0.02	1
1025	1	130	LYS	HG2	H	1.73	0.02	1
1026	1	130	LYS	HG3	H	1.42	0.02	1
1027	1	130	LYS	HD2	H	1.85	0.02	1
1028	1	130	LYS	HD3	H	1.73	0.02	1
1029	1	130	LYS	HE2	H	3.02	0.02	1
1030	1	130	LYS	HE3	H	3.02	0.02	1
1031	1	130	LYS	C	C	177.04	0.05	1
1032	1	130	LYS	CA	C	60.25	0.05	1
1033	1	130	LYS	CB	C	31.23	0.05	1
1034	1	130	LYS	CG	C	24.68	0.05	1
1035	1	130	LYS	CD	C	28.68	0.05	1
1036	1	130	LYS	CE	C	40.25	0.05	1
1037	1	130	LYS	N	N	118.65	0.05	1
1038	1	131	ALA	H	H	7.88	0.02	1
1039	1	131	ALA	HA	H	4.16	0.02	1
1040	1	131	ALA	HB1	H	1.58	0.02	1
1041	1	131	ALA	HB2	H	1.58	0.02	1
1042	1	131	ALA	HB3	H	1.58	0.02	1
1043	1	131	ALA	C	C	179.75	0.05	1
1044	1	131	ALA	CA	C	54.24	0.05	1
1045	1	131	ALA	CB	C	17.17	0.05	1
1046	1	131	ALA	N	N	118.57	0.05	1
1047	1	132	LEU	H	H	7.59	0.02	1
1048	1	132	LEU	HA	H	4.16	0.02	1
1049	1	132	LEU	HB2	H	1.99	0.02	1
1050	1	132	LEU	HB3	H	1.72	0.02	1
1051	1	132	LEU	HG	H	1.9	0.02	1
1052	1	132	LEU	HD11	H	0.96	0.02	1
1053	1	132	LEU	HD12	H	0.96	0.02	1
1054	1	132	LEU	HD13	H	0.96	0.02	1
1055	1	132	LEU	HD21	H	1.03	0.02	1
1056	1	132	LEU	HD22	H	1.03	0.02	1
1057	1	132	LEU	HD23	H	1.03	0.02	1
1058	1	132	LEU	C	C	178.52	0.05	1
1059	1	132	LEU	CA	C	57.08	0.05	1
1060	1	132	LEU	CB	C	41.61	0.05	1
1061	1	132	LEU	CG	C	26.32	0.05	1
1062	1	132	LEU	CD1	C	25.36	0.05	1
1063	1	132	LEU	CD2	C	22.53	0.05	1
1064	1	132	LEU	N	N	118.32	0.05	1
1065	1	133	LEU	H	H	7.78	0.02	1
1066	1	133	LEU	HA	H	4.1	0.02	1
1067	1	133	LEU	HB2	H	1.83	0.02	1
1068	1	133	LEU	HB3	H	1.24	0.02	1
1069	1	133	LEU	HD11	H	0.65	0.02	1
1070	1	133	LEU	HD12	H	0.65	0.02	1
1071	1	133	LEU	HD13	H	0.65	0.02	1
1072	1	133	LEU	HD21	H	0.86	0.02	1
1073	1	133	LEU	HD22	H	0.86	0.02	1
1074	1	133	LEU	HD23	H	0.86	0.02	1
1075	1	133	LEU	C	C	179.49	0.05	1
1076	1	133	LEU	CA	C	56.62	0.05	1
1077	1	133	LEU	CB	C	40.12	0.05	1
1078	1	133	LEU	CG	C	25.2	0.05	1
1079	1	133	LEU	CD1	C	25.06	0.05	1
1080	1	133	LEU	CD2	C	21.67	0.05	1
1081	1	133	LEU	N	N	116.17	0.05	1
1082	1	134	ILE	H	H	8.21	0.02	1
1083	1	134	ILE	HA	H	4.03	0.02	1
1084	1	134	ILE	HB	H	2.02	0.02	1
1085	1	134	ILE	HG12	H	1.73	0.02	1
1086	1	134	ILE	HG13	H	1.41	0.02	1
1087	1	134	ILE	C	C	176.86	0.05	1
1088	1	134	ILE	CA	C	63	0.05	1
1089	1	134	ILE	CB	C	37.13	0.05	1
1090	1	134	ILE	CG1	C	28.13	0.05	1
1091	1	134	ILE	N	N	116.73	0.05	1
1092	1	135	ASN	H	H	7.56	0.02	1
1093	1	135	ASN	HA	H	4.72	0.02	1
1094	1	135	ASN	HB2	H	3.08	0.02	1
1095	1	135	ASN	HB3	H	2.97	0.02	1
1096	1	135	ASN	C	C	176.1	0.05	1
1097	1	135	ASN	CA	C	53.77	0.05	1
1098	1	135	ASN	CB	C	38.37	0.05	1
1099	1	135	ASN	N	N	116.82	0.05	1
1100	1	136	ILE	H	H	7.68	0.02	1
1101	1	136	ILE	HB	H	2.29	0.02	1
1102	1	136	ILE	HG12	H	2.14	0.02	1
1103	1	136	ILE	HG13	H	1.3	0.02	1
1104	1	136	ILE	C	C	174.52	0.05	1
1105	1	136	ILE	CA	C	63.95	0.05	1
1106	1	136	ILE	CB	C	37.21	0.05	1
1107	1	136	ILE	CG1	C	28.19	0.05	1
1108	1	136	ILE	N	N	117.04	0.05	1
1109	1	137	TYR	H	H	7.67	0.02	1
1110	1	137	TYR	HA	H	4.91	0.02	1
1111	1	137	TYR	HB2	H	3.2	0.02	1
1112	1	137	TYR	HB3	H	2.95	0.02	1
1113	1	137	TYR	HD1	H	7.15	0.02	1
1114	1	137	TYR	HD2	H	7.15	0.02	1
1115	1	137	TYR	HE1	H	6.81	0.02	1
1116	1	137	TYR	HE2	H	6.81	0.02	1
1117	1	137	TYR	C	C	173.64	0.05	1
1118	1	137	TYR	CA	C	56.21	0.05	1
1119	1	137	TYR	CB	C	39.54	0.05	1
1120	1	137	TYR	CD1	C	133.64	0.05	1
1121	1	137	TYR	CD2	C	133.64	0.05	1
1122	1	137	TYR	CE1	C	120.92	0.05	1
1123	1	137	TYR	CE2	C	120.92	0.05	1
1124	1	137	TYR	N	N	117.34	0.05	1
1125	1	138	LYS	H	H	7.53	0.02	1
1126	1	138	LYS	HA	H	4.12	0.02	1
1127	1	138	LYS	HB2	H	1.79	0.02	1
1128	1	138	LYS	HB3	H	1.68	0.02	1
1129	1	138	LYS	HG2	H	1.3	0.02	1
1130	1	138	LYS	HG3	H	1.3	0.02	1
1131	1	138	LYS	HD2	H	1.68	0.02	1
1132	1	138	LYS	HD3	H	1.68	0.02	1
1133	1	138	LYS	HE2	H	3.03	0.02	1
1134	1	138	LYS	HE3	H	3.03	0.02	1
1135	1	138	LYS	CA	C	56.96	0.05	1
1136	1	138	LYS	CB	C	32.98	0.05	1
1137	1	138	LYS	CG	C	23.83	0.05	1
1138	1	138	LYS	CD	C	28.26	0.05	1
1139	1	138	LYS	CE	C	41.42	0.05	1
1140	1	138	LYS	N	N	109.74	0.05	1

Protein Blocks Logo

Calculated from 14 models in PDB: 6Y06, Strand ID: A Detail

Release date

2020-03-10

Citation 1

Mapping Local Conformational Landscapes of Proteins in Solution
ElGamacy, M., Riss, M., Zhu, H., Truffault, V., Coles, M.
Structure (2019), 27, 853-865, PubMed 30930065 , DOI 10.1016/j.str.2019.03.005 , Abstract

Show more 1 citaion

Citation 2

Design of novel granulopoietic proteins by topological rescaffolding
Alvarez, B.H., Skokowa, J., Coles, M., Mir, P., Nasri, M., Maksymenko, K., Weidmann, L., Rogers, K.W., Welte, K., Lupas, A.N., Muller, P., ElGamacy, M.
PLoS Biol. (2020), 18, e3000919-e3000919, PubMed 33351791 , DOI 10.1371/journal.pbio.3000919 , Abstract

Hide non-primary 1 citaion

Entries sharing articles BMRB: 4 entries Detail

  BMRB: 34613 released on 2021-04-13
    Title Solution structure of Boskar4; a de novo designed G-CSF agonist
  BMRB: 34489 released on 2020-03-10
    Title Designing a Granulopoietic Protein by Topological Rescaffolding 1: Sohair
  BMRB: 34351 released on 2019-09-25
    Title Solution NMR ensemble for human ubiquitin at 298K compiled using the CoMAND method
  BMRB: 34352 released on 2019-09-25
    Title Solution NMR ensemble for a chimeric KH-S1 domain construct of exosomal polynucleotide phosphrylase at 298K compiled using the CoMAND method

Related entities 1. Moevan, : 1 : 26 entities Detail

Experiments performed 15 experiments Detail

1 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.2, Details 600 uM [U-99% 13C; U-99% 15N] Moevan, 50 mM PBS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Moevan	[U-99% 13C; U-99% 15N]		600 uM
2	PBS	natural abundance		50 mM

2 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 5.2, Details 600 uM [U-99% 13C; U-99% 15N] Moevan, 50 mM PBS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Moevan	[U-99% 13C; U-99% 15N]		600 uM
2	PBS	natural abundance		50 mM

3 3D HNCA

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.2, Details 600 uM [U-99% 13C; U-99% 15N] Moevan, 50 mM PBS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Moevan	[U-99% 13C; U-99% 15N]		600 uM
2	PBS	natural abundance		50 mM

4 3D HNCA

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 5.2, Details 600 uM [U-99% 13C; U-99% 15N] Moevan, 50 mM PBS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Moevan	[U-99% 13C; U-99% 15N]		600 uM
2	PBS	natural abundance		50 mM

5 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.2, Details 600 uM [U-99% 13C; U-99% 15N] Moevan, 50 mM PBS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Moevan	[U-99% 13C; U-99% 15N]		600 uM
2	PBS	natural abundance		50 mM

6 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 5.2, Details 600 uM [U-99% 13C; U-99% 15N] Moevan, 50 mM PBS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Moevan	[U-99% 13C; U-99% 15N]		600 uM
2	PBS	natural abundance		50 mM

7 3D (H)CC(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.2, Details 600 uM [U-99% 13C; U-99% 15N] Moevan, 50 mM PBS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Moevan	[U-99% 13C; U-99% 15N]		600 uM
2	PBS	natural abundance		50 mM

8 3D (H)CC(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 5.2, Details 600 uM [U-99% 13C; U-99% 15N] Moevan, 50 mM PBS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Moevan	[U-99% 13C; U-99% 15N]		600 uM
2	PBS	natural abundance		50 mM

9 3D CCH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.2, Details 600 uM [U-99% 13C; U-99% 15N] Moevan, 50 mM PBS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Moevan	[U-99% 13C; U-99% 15N]		600 uM
2	PBS	natural abundance		50 mM

10 3D CCH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 5.2, Details 600 uM [U-99% 13C; U-99% 15N] Moevan, 50 mM PBS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Moevan	[U-99% 13C; U-99% 15N]		600 uM
2	PBS	natural abundance		50 mM

11 2D NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.2, Details 600 uM [U-99% 13C; U-99% 15N] Moevan, 50 mM PBS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Moevan	[U-99% 13C; U-99% 15N]		600 uM
2	PBS	natural abundance		50 mM

12 3D CNH-NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.2, Details 600 uM [U-99% 13C; U-99% 15N] Moevan, 50 mM PBS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Moevan	[U-99% 13C; U-99% 15N]		600 uM
2	PBS	natural abundance		50 mM

13 3D CNH-NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 5.2, Details 600 uM [U-99% 13C; U-99% 15N] Moevan, 50 mM PBS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Moevan	[U-99% 13C; U-99% 15N]		600 uM
2	PBS	natural abundance		50 mM

14 3D 1H-13C NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.2, Details 600 uM [U-99% 13C; U-99% 15N] Moevan, 50 mM PBS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Moevan	[U-99% 13C; U-99% 15N]		600 uM
2	PBS	natural abundance		50 mM

15 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.2, Details 600 uM [U-99% 13C; U-99% 15N] Moevan, 50 mM PBS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Moevan	[U-99% 13C; U-99% 15N]		600 uM
2	PBS	natural abundance		50 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34488_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	OK

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr34488_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	1140		71.7 (chain: 1, length: 138)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 138, Sequence coverage: 71.7%
- Total number of assignments
  - ¹³C chemical shifts: 428
  - ¹H chemical shifts: 623
  - ¹⁵N chemical shifts: 89
- Completeness of assignments
  - Entity_assemble_ID: 1
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	625	428	68.5
¹H chemical shifts	828	497	60.0
¹⁵N chemical shifts	153	89	58.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	276	185	67.0
¹H chemical shifts	281	181	64.4
¹⁵N chemical shifts	137	89	65.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	349	243	69.6
¹H chemical shifts	547	316	57.8
¹⁵N chemical shifts	16	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	91	65	71.4
¹H chemical shifts	91	63	69.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	43	22	51.2
¹H chemical shifts	43	25	58.1

Keywords DE NOVO PROTEIN, GCSF analog, protein design, receptor modulator

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Found 1 Document (0.609 seconds)

BMRB: 34488

Entries sharing articles BMRB: 4 entries Detail

Related entities 1. Moevan, : 1 : 26 entities Detail

Experiments performed 15 experiments Detail

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Chemical shift validation 3 contents Detail