BMRB: 34743

NMR structure of holo-acp

Authors

Collin, S., Weissman, K.J., Chagot, B., Gruez, A.

Assembly

Hybrid polyketide synthase-non ribosomal peptide synthetase

Entity

1. Hybrid polyketide synthase-non ribosomal peptide synthetase, entity 1 (polymer, Thiol state: not present), 86 monomers, 8852.881 Da Detail

GPGSAAADDG RRAELADRVS RTVADTIGRP AGSIGGHTSL ESMGLDSVMI RALASRLSAE VAPVGPEMLF GLRDLDELVD HLVAAR

2. Hybrid polyketide synthase-non ribosomal peptide synthetase, entity PNS (non-polymer), 358.348 Da

Total weight

9211.229 Da

Max. entity weight

8852.881 Da

Source organism

Streptomyces virginiae

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 581, ¹³C: 349, ¹⁵N: 94 assignments Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	GLY	HA2	H	3.984	0.000	2
2	1	1	GLY	HA3	H	3.984	0.000	2
3	1	1	GLY	CA	C	43.256	0.000	1
4	1	2	PRO	HA	H	4.480	0.001	1
5	1	2	PRO	HB2	H	1.998	0.005	2
6	1	2	PRO	HB3	H	2.307	0.002	2
7	1	2	PRO	HG2	H	2.035	0.003	2
8	1	2	PRO	HG3	H	2.035	0.003	2
9	1	2	PRO	HD2	H	3.571	0.001	2
10	1	2	PRO	HD3	H	3.596	0.002	2
11	1	2	PRO	C	C	177.565	0.000	1
12	1	2	PRO	CA	C	63.357	0.100	1
13	1	2	PRO	CB	C	32.056	0.067	1
14	1	2	PRO	CG	C	26.980	0.044	1
15	1	2	PRO	CD	C	49.548	0.023	1
16	1	3	GLY	H	H	8.692	0.006	1
17	1	3	GLY	HA2	H	3.986	0.006	2
18	1	3	GLY	HA3	H	3.986	0.006	2
19	1	3	GLY	C	C	174.334	0.000	1
20	1	3	GLY	CA	C	45.259	0.125	1
21	1	3	GLY	N	N	110.109	0.011	1
22	1	4	SER	H	H	8.200	0.003	1
23	1	4	SER	HA	H	4.443	0.006	1
24	1	4	SER	HB2	H	3.868	0.004	2
25	1	4	SER	HB3	H	3.868	0.004	2
26	1	4	SER	C	C	174.438	0.000	1
27	1	4	SER	CA	C	58.339	0.126	1
28	1	4	SER	CB	C	63.843	0.085	1
29	1	4	SER	N	N	115.784	0.010	1
30	1	5	ALA	H	H	8.447	0.005	1
31	1	5	ALA	HA	H	4.335	0.001	1
32	1	5	ALA	HB1	H	1.394	0.000	1
33	1	5	ALA	HB2	H	1.394	0.000	1
34	1	5	ALA	HB3	H	1.394	0.000	1
35	1	5	ALA	C	C	177.667	0.000	1
36	1	5	ALA	CA	C	52.640	0.134	1
37	1	5	ALA	CB	C	19.161	0.034	1
38	1	5	ALA	N	N	126.231	0.022	1
39	1	6	ALA	H	H	8.285	0.000	1
40	1	6	ALA	HA	H	4.276	0.000	1
41	1	6	ALA	HB1	H	1.392	0.000	1
42	1	6	ALA	HB2	H	1.392	0.000	1
43	1	6	ALA	HB3	H	1.392	0.000	1
44	1	6	ALA	C	C	177.975	0.000	1
45	1	6	ALA	CA	C	52.680	0.000	1
46	1	6	ALA	CB	C	19.092	0.000	1
47	1	6	ALA	N	N	122.891	0.000	1
48	1	7	ALA	H	H	8.276	0.008	1
49	1	7	ALA	HA	H	4.269	0.000	1
50	1	7	ALA	HB1	H	1.388	0.000	1
51	1	7	ALA	HB2	H	1.388	0.000	1
52	1	7	ALA	HB3	H	1.388	0.000	1
53	1	7	ALA	C	C	177.873	0.000	1
54	1	7	ALA	CA	C	52.878	0.000	1
55	1	7	ALA	CB	C	19.151	0.019	1
56	1	7	ALA	N	N	123.096	0.041	1
57	1	8	ASP	H	H	8.248	0.004	1
58	1	8	ASP	HA	H	4.609	0.001	1
59	1	8	ASP	HB2	H	2.713	0.004	2
60	1	8	ASP	HB3	H	2.713	0.004	2
61	1	8	ASP	C	C	176.567	0.000	1
62	1	8	ASP	CA	C	54.421	0.146	1
63	1	8	ASP	CB	C	41.185	0.094	1
64	1	8	ASP	N	N	119.484	0.007	1
65	1	9	ASP	H	H	8.303	0.004	1
66	1	9	ASP	HA	H	4.523	0.007	1
67	1	9	ASP	HB2	H	2.704	0.007	2
68	1	9	ASP	HB3	H	2.783	0.001	2
69	1	9	ASP	C	C	177.830	0.000	1
70	1	9	ASP	CA	C	54.939	0.061	1
71	1	9	ASP	CB	C	40.801	0.170	1
72	1	9	ASP	N	N	121.561	0.009	1
73	1	10	GLY	H	H	8.561	0.000	1
74	1	10	GLY	HA2	H	3.952	0.001	2
75	1	10	GLY	HA3	H	4.030	0.000	2
76	1	10	GLY	C	C	175.860	0.000	1
77	1	10	GLY	CA	C	46.296	0.040	1
78	1	10	GLY	N	N	109.689	0.000	1
79	1	11	ARG	H	H	8.131	0.001	1
80	1	11	ARG	HA	H	4.185	0.004	1
81	1	11	ARG	HB2	H	1.886	0.000	2
82	1	11	ARG	HB3	H	1.943	0.000	2
83	1	11	ARG	HG2	H	1.723	0.002	2
84	1	11	ARG	HG3	H	1.628	0.001	2
85	1	11	ARG	HD2	H	3.251	0.002	2
86	1	11	ARG	HD3	H	3.251	0.002	2
87	1	11	ARG	HE	H	7.483	0.000	1
88	1	11	ARG	C	C	178.643	0.000	1
89	1	11	ARG	CA	C	58.618	0.079	1
90	1	11	ARG	CB	C	29.954	0.079	1
91	1	11	ARG	CG	C	27.382	0.053	1
92	1	11	ARG	CD	C	43.351	0.053	1
93	1	11	ARG	N	N	121.528	0.040	1
94	1	11	ARG	NE	N	84.687	0.000	1
95	1	12	ARG	H	H	8.486	0.004	1
96	1	12	ARG	HA	H	3.723	0.002	1
97	1	12	ARG	HB2	H	1.773	0.004	2
98	1	12	ARG	HB3	H	1.911	0.001	2
99	1	12	ARG	HG2	H	1.429	0.002	2
100	1	12	ARG	HG3	H	1.680	0.001	2
101	1	12	ARG	HD2	H	3.161	0.002	2
102	1	12	ARG	HD3	H	3.161	0.002	2
103	1	12	ARG	HE	H	7.661	0.000	1
104	1	12	ARG	C	C	177.501	0.000	1
105	1	12	ARG	CA	C	60.204	0.071	1
106	1	12	ARG	CB	C	29.241	0.047	1
107	1	12	ARG	CG	C	28.218	0.052	1
108	1	12	ARG	CD	C	42.866	0.017	1
109	1	12	ARG	N	N	120.834	0.012	1
110	1	12	ARG	NE	N	84.885	0.000	1
111	1	13	ALA	H	H	8.162	0.003	1
112	1	13	ALA	HA	H	4.088	0.002	1
113	1	13	ALA	HB1	H	1.449	0.002	1
114	1	13	ALA	HB2	H	1.449	0.002	1
115	1	13	ALA	HB3	H	1.449	0.002	1
116	1	13	ALA	C	C	180.558	0.000	1
117	1	13	ALA	CA	C	55.098	0.090	1
118	1	13	ALA	CB	C	17.938	0.129	1
119	1	13	ALA	N	N	120.593	0.021	1
120	1	14	GLU	H	H	7.886	0.001	1
121	1	14	GLU	HA	H	4.127	0.002	1
122	1	14	GLU	HB2	H	2.127	0.002	2
123	1	14	GLU	HB3	H	2.127	0.002	2
124	1	14	GLU	HG2	H	2.240	0.003	2
125	1	14	GLU	HG3	H	2.433	0.001	2
126	1	14	GLU	C	C	179.133	0.000	1
127	1	14	GLU	CA	C	59.163	0.026	1
128	1	14	GLU	CB	C	29.364	0.040	1
129	1	14	GLU	CG	C	36.039	0.119	1
130	1	14	GLU	N	N	118.909	0.059	1
131	1	15	LEU	H	H	7.929	0.002	1
132	1	15	LEU	HA	H	4.060	0.010	1
133	1	15	LEU	HB2	H	1.565	0.001	2
134	1	15	LEU	HB3	H	1.823	0.000	2
135	1	15	LEU	HG	H	1.631	0.002	1
136	1	15	LEU	HD11	H	0.844	0.002	2
137	1	15	LEU	HD12	H	0.844	0.002	2
138	1	15	LEU	HD13	H	0.844	0.002	2
139	1	15	LEU	HD21	H	0.827	0.000	2
140	1	15	LEU	HD22	H	0.827	0.000	2
141	1	15	LEU	HD23	H	0.827	0.000	2
142	1	15	LEU	C	C	178.654	0.000	1
143	1	15	LEU	CA	C	58.025	0.174	1
144	1	15	LEU	CB	C	42.122	0.077	1
145	1	15	LEU	CG	C	27.350	0.045	1
146	1	15	LEU	CD1	C	25.090	0.061	1
147	1	15	LEU	CD2	C	24.868	0.000	1
148	1	15	LEU	N	N	120.945	0.014	1
149	1	16	ALA	H	H	9.018	0.001	1
150	1	16	ALA	HA	H	3.882	0.001	1
151	1	16	ALA	HB1	H	1.519	0.003	1
152	1	16	ALA	HB2	H	1.519	0.003	1
153	1	16	ALA	HB3	H	1.519	0.003	1
154	1	16	ALA	C	C	180.488	0.000	1
155	1	16	ALA	CA	C	55.612	0.065	1
156	1	16	ALA	CB	C	17.852	0.119	1
157	1	16	ALA	N	N	121.237	0.020	1
158	1	17	ASP	H	H	7.871	0.003	1
159	1	17	ASP	HA	H	4.428	0.002	1
160	1	17	ASP	HB2	H	2.804	0.002	2
161	1	17	ASP	HB3	H	2.804	0.002	2
162	1	17	ASP	C	C	178.047	0.000	1
163	1	17	ASP	CA	C	57.398	0.174	1
164	1	17	ASP	CB	C	41.395	0.065	1
165	1	17	ASP	N	N	118.959	0.042	1
166	1	18	ARG	H	H	7.985	0.004	1
167	1	18	ARG	HA	H	4.008	0.001	1
168	1	18	ARG	HB2	H	1.955	0.003	2
169	1	18	ARG	HB3	H	1.955	0.003	2
170	1	18	ARG	HG2	H	1.692	0.002	2
171	1	18	ARG	HG3	H	1.956	0.004	2
172	1	18	ARG	HD2	H	3.240	0.004	2
173	1	18	ARG	HD3	H	3.240	0.004	2
174	1	18	ARG	HE	H	7.650	0.000	1
175	1	18	ARG	C	C	179.998	0.000	1
176	1	18	ARG	CA	C	59.713	0.121	1
177	1	18	ARG	CB	C	30.782	0.086	1
178	1	18	ARG	CG	C	27.603	0.035	1
179	1	18	ARG	CD	C	43.814	0.056	1
180	1	18	ARG	N	N	119.341	0.004	1
181	1	18	ARG	NE	N	84.213	0.000	1
182	1	19	VAL	H	H	9.011	0.002	1
183	1	19	VAL	HA	H	3.390	0.007	1
184	1	19	VAL	HB	H	2.155	0.003	1
185	1	19	VAL	HG11	H	0.826	0.004	2
186	1	19	VAL	HG12	H	0.826	0.004	2
187	1	19	VAL	HG13	H	0.826	0.004	2
188	1	19	VAL	HG21	H	0.962	0.002	2
189	1	19	VAL	HG22	H	0.962	0.002	2
190	1	19	VAL	HG23	H	0.962	0.002	2
191	1	19	VAL	C	C	177.309	0.000	1
192	1	19	VAL	CA	C	67.242	0.148	1
193	1	19	VAL	CB	C	31.577	0.118	1
194	1	19	VAL	CG1	C	21.900	0.143	1
195	1	19	VAL	CG2	C	24.229	0.035	1
196	1	19	VAL	N	N	120.265	0.017	1
197	1	20	SER	H	H	8.333	0.002	1
198	1	20	SER	HA	H	3.796	0.001	1
199	1	20	SER	HB2	H	3.856	0.000	2
200	1	20	SER	HB3	H	3.998	0.001	2
201	1	20	SER	C	C	176.324	0.000	1
202	1	20	SER	CA	C	62.898	0.138	1
203	1	20	SER	CB	C	62.492	0.103	1
204	1	20	SER	N	N	115.566	0.016	1
205	1	21	ARG	H	H	8.099	0.002	1
206	1	21	ARG	HA	H	4.029	0.001	1
207	1	21	ARG	HG2	H	1.612	0.001	2
208	1	21	ARG	HG3	H	1.786	0.001	2
209	1	21	ARG	HD2	H	3.204	0.001	2
210	1	21	ARG	HD3	H	3.140	0.006	2
211	1	21	ARG	HE	H	7.587	0.000	1
212	1	21	ARG	C	C	178.739	0.000	1
213	1	21	ARG	CA	C	59.732	0.121	1
214	1	21	ARG	CB	C	29.934	0.056	1
215	1	21	ARG	CG	C	28.097	0.070	1
216	1	21	ARG	CD	C	43.212	0.034	1
217	1	21	ARG	N	N	120.944	0.013	1
218	1	21	ARG	NE	N	85.715	0.000	1
219	1	22	THR	H	H	8.034	0.002	1
220	1	22	THR	HA	H	3.936	0.014	1
221	1	22	THR	HB	H	4.070	0.001	1
222	1	22	THR	HG21	H	1.008	0.001	1
223	1	22	THR	HG22	H	1.008	0.001	1
224	1	22	THR	HG23	H	1.008	0.001	1
225	1	22	THR	C	C	177.761	0.000	1
226	1	22	THR	CA	C	67.655	0.095	1
227	1	22	THR	CB	C	68.272	0.083	1
228	1	22	THR	CG2	C	21.854	0.050	1
229	1	22	THR	N	N	117.438	0.001	1
230	1	23	VAL	H	H	8.723	0.000	1
231	1	23	VAL	HA	H	3.435	0.006	1
232	1	23	VAL	HB	H	2.152	0.002	1
233	1	23	VAL	HG11	H	0.844	0.001	2
234	1	23	VAL	HG12	H	0.844	0.001	2
235	1	23	VAL	HG13	H	0.844	0.001	2
236	1	23	VAL	HG21	H	1.024	0.001	2
237	1	23	VAL	HG22	H	1.024	0.001	2
238	1	23	VAL	HG23	H	1.024	0.001	2
239	1	23	VAL	C	C	176.980	0.000	1
240	1	23	VAL	CA	C	67.167	0.127	1
241	1	23	VAL	CB	C	31.169	0.096	1
242	1	23	VAL	CG1	C	21.720	0.060	1
243	1	23	VAL	CG2	C	22.804	0.069	1
244	1	23	VAL	N	N	123.545	0.001	1
245	1	24	ALA	H	H	8.333	0.000	1
246	1	24	ALA	HA	H	3.736	0.001	1
247	1	24	ALA	HB1	H	1.478	0.002	1
248	1	24	ALA	HB2	H	1.478	0.002	1
249	1	24	ALA	HB3	H	1.478	0.002	1
250	1	24	ALA	C	C	179.289	0.000	1
251	1	24	ALA	CA	C	56.293	0.098	1
252	1	24	ALA	CB	C	17.480	0.109	1
253	1	24	ALA	N	N	121.249	0.043	1
254	1	25	ASP	H	H	8.131	0.003	1
255	1	25	ASP	HA	H	4.421	0.002	1
256	1	25	ASP	HB2	H	2.652	0.005	2
257	1	25	ASP	HB3	H	2.808	0.003	2
258	1	25	ASP	C	C	178.648	0.000	1
259	1	25	ASP	CA	C	56.961	0.068	1
260	1	25	ASP	CB	C	41.595	0.071	1
261	1	25	ASP	N	N	115.426	0.058	1
262	1	26	THR	H	H	7.912	0.001	1
263	1	26	THR	HA	H	3.912	0.013	1
264	1	26	THR	HB	H	4.228	0.002	1
265	1	26	THR	HG21	H	1.121	0.001	1
266	1	26	THR	HG22	H	1.121	0.001	1
267	1	26	THR	HG23	H	1.121	0.001	1
268	1	26	THR	C	C	175.996	0.000	1
269	1	26	THR	CA	C	67.065	0.107	1
270	1	26	THR	CB	C	68.480	0.058	1
271	1	26	THR	CG2	C	20.838	0.035	1
272	1	26	THR	N	N	115.757	0.027	1
273	1	27	ILE	H	H	7.966	0.002	1
274	1	27	ILE	HA	H	4.436	0.003	1
275	1	27	ILE	HB	H	2.175	0.003	1
276	1	27	ILE	HG12	H	1.604	0.002	2
277	1	27	ILE	HG13	H	1.213	0.005	2
278	1	27	ILE	HG21	H	0.929	0.003	1
279	1	27	ILE	HG22	H	0.929	0.003	1
280	1	27	ILE	HG23	H	0.929	0.003	1
281	1	27	ILE	HD11	H	0.768	0.001	1
282	1	27	ILE	HD12	H	0.768	0.001	1
283	1	27	ILE	HD13	H	0.768	0.001	1
284	1	27	ILE	C	C	176.297	0.000	1
285	1	27	ILE	CA	C	61.588	0.161	1
286	1	27	ILE	CB	C	37.986	0.068	1
287	1	27	ILE	CG1	C	25.627	0.046	1
288	1	27	ILE	CG2	C	17.202	0.027	1
289	1	27	ILE	CD1	C	14.083	0.033	1
290	1	27	ILE	N	N	112.315	0.027	1
291	1	28	GLY	H	H	7.838	0.004	1
292	1	28	GLY	HA2	H	3.952	0.012	2
293	1	28	GLY	HA3	H	4.027	0.002	2
294	1	28	GLY	C	C	174.895	0.000	1
295	1	28	GLY	CA	C	46.862	0.119	1
296	1	28	GLY	N	N	111.145	0.001	1
297	1	29	ARG	H	H	8.072	0.003	1
298	1	29	ARG	HA	H	4.842	0.006	1
299	1	29	ARG	HB2	H	1.266	0.003	2
300	1	29	ARG	HB3	H	1.849	0.001	2
301	1	29	ARG	HG2	H	1.580	0.003	2
302	1	29	ARG	HG3	H	1.580	0.003	2
303	1	29	ARG	HD2	H	3.107	0.001	2
304	1	29	ARG	HD3	H	3.236	0.003	2
305	1	29	ARG	HE	H	7.286	0.000	1
306	1	29	ARG	CA	C	52.292	0.161	1
307	1	29	ARG	CB	C	31.451	0.048	1
308	1	29	ARG	CG	C	26.704	0.027	1
309	1	29	ARG	CD	C	42.820	0.053	1
310	1	29	ARG	N	N	119.361	0.006	1
311	1	29	ARG	NE	N	84.285	0.000	1
312	1	30	PRO	HA	H	4.371	0.009	1
313	1	30	PRO	HB2	H	1.814	0.002	2
314	1	30	PRO	HB3	H	2.371	0.003	2
315	1	30	PRO	HG2	H	1.998	0.005	2
316	1	30	PRO	HG3	H	2.068	0.001	2
317	1	30	PRO	HD2	H	3.510	0.000	2
318	1	30	PRO	HD3	H	3.814	0.002	2
319	1	30	PRO	C	C	178.507	0.000	1
320	1	30	PRO	CA	C	62.558	0.054	1
321	1	30	PRO	CB	C	32.040	0.076	1
322	1	30	PRO	CG	C	27.725	0.050	1
323	1	30	PRO	CD	C	50.436	0.040	1
324	1	31	ALA	H	H	8.999	0.006	1
325	1	31	ALA	HA	H	3.915	0.000	1
326	1	31	ALA	HB1	H	1.379	0.001	1
327	1	31	ALA	HB2	H	1.379	0.001	1
328	1	31	ALA	HB3	H	1.379	0.001	1
329	1	31	ALA	C	C	179.092	0.000	1
330	1	31	ALA	CA	C	54.686	0.113	1
331	1	31	ALA	CB	C	17.859	0.106	1
332	1	31	ALA	N	N	128.223	0.040	1
333	1	32	GLY	H	H	8.758	0.005	1
334	1	32	GLY	HA2	H	3.952	0.000	2
335	1	32	GLY	HA3	H	3.915	0.000	2
336	1	32	GLY	C	C	174.806	0.000	1
337	1	32	GLY	CA	C	45.529	0.141	1
338	1	32	GLY	N	N	106.504	0.032	1
339	1	33	SER	H	H	7.931	0.002	1
340	1	33	SER	HA	H	4.432	0.005	1
341	1	33	SER	HB2	H	3.813	0.003	2
342	1	33	SER	HB3	H	4.016	0.001	2
343	1	33	SER	C	C	173.568	0.000	1
344	1	33	SER	CA	C	59.154	0.068	1
345	1	33	SER	CB	C	64.386	0.042	1
346	1	33	SER	N	N	113.912	0.038	1
347	1	34	ILE	H	H	7.434	0.004	1
348	1	34	ILE	HA	H	4.342	0.003	1
349	1	34	ILE	HB	H	1.897	0.004	1
350	1	34	ILE	HG12	H	1.266	0.002	2
351	1	34	ILE	HG13	H	1.266	0.002	2
352	1	34	ILE	HG21	H	0.845	0.001	1
353	1	34	ILE	HG22	H	0.845	0.001	1
354	1	34	ILE	HG23	H	0.845	0.001	1
355	1	34	ILE	HD11	H	0.730	0.001	1
356	1	34	ILE	HD12	H	0.730	0.001	1
357	1	34	ILE	HD13	H	0.730	0.001	1
358	1	34	ILE	C	C	174.826	0.000	1
359	1	34	ILE	CA	C	58.810	0.067	1
360	1	34	ILE	CB	C	38.607	0.056	1
361	1	34	ILE	CG1	C	26.381	0.050	1
362	1	34	ILE	CG2	C	18.025	0.026	1
363	1	34	ILE	CD1	C	12.063	0.033	1
364	1	34	ILE	N	N	121.815	0.019	1
365	1	35	GLY	H	H	8.533	0.006	1
366	1	35	GLY	HA2	H	3.826	0.004	2
367	1	35	GLY	HA3	H	4.399	0.003	2
368	1	35	GLY	C	C	174.593	0.000	1
369	1	35	GLY	CA	C	44.562	0.066	1
370	1	35	GLY	N	N	113.348	0.008	1
371	1	36	GLY	H	H	8.611	0.005	1
372	1	36	GLY	HA2	H	3.579	0.004	2
373	1	36	GLY	HA3	H	3.809	0.006	2
374	1	36	GLY	C	C	174.168	0.000	1
375	1	36	GLY	CA	C	46.764	0.083	1
376	1	36	GLY	N	N	107.430	0.014	1
377	1	37	HIS	H	H	8.245	0.003	1
378	1	37	HIS	HA	H	4.959	0.002	1
379	1	37	HIS	HB2	H	3.126	0.003	2
380	1	37	HIS	HB3	H	3.364	0.003	2
381	1	37	HIS	HD2	H	7.212	0.013	1
382	1	37	HIS	HE1	H	8.401	0.013	1
383	1	37	HIS	C	C	175.578	0.000	1
384	1	37	HIS	CA	C	54.205	0.169	1
385	1	37	HIS	CB	C	28.533	0.075	1
386	1	37	HIS	CD2	C	119.495	0.035	1
387	1	37	HIS	CE1	C	136.833	0.073	1
388	1	37	HIS	N	N	112.685	0.056	1
389	1	37	HIS	ND1	N	185.879	0.024	1
390	1	37	HIS	NE2	N	172.668	0.012	1
391	1	38	THR	H	H	7.926	0.000	1
392	1	38	THR	HA	H	4.075	0.014	1
393	1	38	THR	HB	H	4.100	0.002	1
394	1	38	THR	HG21	H	1.248	0.001	1
395	1	38	THR	HG22	H	1.248	0.001	1
396	1	38	THR	HG23	H	1.248	0.001	1
397	1	38	THR	C	C	173.611	0.000	1
398	1	38	THR	CA	C	64.133	0.075	1
399	1	38	THR	CB	C	69.228	0.114	1
400	1	38	THR	CG2	C	22.002	0.036	1
401	1	38	THR	N	N	120.153	0.047	1
402	1	39	SER	H	H	8.814	0.013	1
403	1	39	SER	HA	H	4.688	0.011	1
404	1	39	SER	HB2	H	4.059	0.001	2
405	1	39	SER	HB3	H	4.346	0.001	2
406	1	39	SER	C	C	176.397	0.000	1
407	1	39	SER	CA	C	56.632	0.165	1
408	1	39	SER	CB	C	64.063	0.077	1
409	1	39	SER	N	N	122.311	0.127	1
410	1	40	LEU	H	H	8.477	0.012	1
411	1	40	LEU	HA	H	4.134	0.010	1
412	1	40	LEU	HB2	H	1.719	0.002	2
413	1	40	LEU	HB3	H	1.498	0.003	2
414	1	40	LEU	HG	H	1.643	0.002	1
415	1	40	LEU	HD11	H	0.748	0.001	2
416	1	40	LEU	HD12	H	0.748	0.001	2
417	1	40	LEU	HD13	H	0.748	0.001	2
418	1	40	LEU	HD21	H	0.707	0.003	2
419	1	40	LEU	HD22	H	0.707	0.003	2
420	1	40	LEU	HD23	H	0.707	0.003	2
421	1	40	LEU	C	C	180.495	0.000	1
422	1	40	LEU	CA	C	57.787	0.086	1
423	1	40	LEU	CB	C	40.235	0.051	1
424	1	40	LEU	CG	C	28.288	0.070	1
425	1	40	LEU	CD1	C	25.080	0.039	1
426	1	40	LEU	CD2	C	22.980	0.078	1
427	1	40	LEU	N	N	126.478	0.077	1
428	1	41	GLU	H	H	8.803	0.000	1
429	1	41	GLU	HA	H	4.091	0.012	1
430	1	41	GLU	HB2	H	1.986	0.002	2
431	1	41	GLU	HB3	H	2.095	0.004	2
432	1	41	GLU	HG2	H	2.305	0.002	2
433	1	41	GLU	HG3	H	2.305	0.002	2
434	1	41	GLU	C	C	179.367	0.000	1
435	1	41	GLU	CA	C	59.387	0.083	1
436	1	41	GLU	CB	C	29.259	0.047	1
437	1	41	GLU	CG	C	35.955	0.052	1
438	1	41	GLU	N	N	120.217	0.012	1
439	1	42	SER	H	H	7.966	0.005	1
440	1	42	SER	HA	H	4.300	0.006	1
441	1	42	SER	HB2	H	3.995	0.002	2
442	1	42	SER	HB3	H	3.995	0.002	2
443	1	42	SER	C	C	175.426	0.000	1
444	1	42	SER	CA	C	60.401	0.201	1
445	1	42	SER	CB	C	63.302	0.076	1
446	1	42	SER	N	N	114.724	0.035	1
447	1	43	MET	H	H	7.477	0.003	1
448	1	43	MET	HA	H	4.214	0.003	1
449	1	43	MET	HB2	H	2.035	0.005	2
450	1	43	MET	HB3	H	2.136	0.004	2
451	1	43	MET	HG2	H	2.368	0.001	2
452	1	43	MET	HG3	H	2.721	0.003	2
453	1	43	MET	HE1	H	1.877	0.000	1
454	1	43	MET	HE2	H	1.877	0.000	1
455	1	43	MET	HE3	H	1.877	0.000	1
456	1	43	MET	C	C	176.306	0.000	1
457	1	43	MET	CA	C	56.924	0.065	1
458	1	43	MET	CB	C	33.464	0.056	1
459	1	43	MET	CG	C	32.905	0.095	1
460	1	43	MET	CE	C	17.734	0.000	1
461	1	43	MET	N	N	119.374	0.015	1
462	1	44	GLY	H	H	7.703	0.000	1
463	1	44	GLY	HA2	H	3.867	0.000	2
464	1	44	GLY	HA3	H	3.867	0.000	2
465	1	44	GLY	C	C	177.697	0.003	1
466	1	44	GLY	CA	C	47.042	0.070	1
467	1	44	GLY	N	N	106.950	0.047	1
468	1	45	LEU	H	H	8.264	0.001	1
469	1	45	LEU	HA	H	4.344	0.003	1
470	1	45	LEU	HB2	H	1.769	0.004	2
471	1	45	LEU	HB3	H	1.320	0.003	2
472	1	45	LEU	HG	H	1.627	0.008	1
473	1	45	LEU	HD11	H	0.809	0.001	2
474	1	45	LEU	HD12	H	0.809	0.001	2
475	1	45	LEU	HD13	H	0.809	0.001	2
476	1	45	LEU	HD21	H	0.756	0.002	2
477	1	45	LEU	HD22	H	0.756	0.002	2
478	1	45	LEU	HD23	H	0.756	0.002	2
479	1	45	LEU	C	C	176.416	0.000	1
480	1	45	LEU	CA	C	55.038	0.137	1
481	1	45	LEU	CB	C	41.831	0.226	1
482	1	45	LEU	CG	C	26.972	0.057	1
483	1	45	LEU	CD1	C	25.867	0.052	1
484	1	45	LEU	CD2	C	23.678	0.041	1
485	1	45	LEU	N	N	119.261	0.118	1
486	1	46	ASP	H	H	7.714	0.000	1
487	1	46	ASP	HA	H	4.801	0.004	1
488	1	46	ASP	HB2	H	2.807	0.000	2
489	1	46	ASP	HB3	H	3.219	0.005	2
490	1	46	ASP	C	C	176.225	0.000	1
491	1	46	ASP	CA	C	51.767	0.112	1
492	1	46	ASP	CB	C	41.693	0.030	1
493	1	46	ASP	N	N	121.809	0.000	1
494	1	47	SER	H	H	8.863	0.003	1
495	1	47	SER	HA	H	4.201	0.000	1
496	1	47	SER	HB2	H	4.224	0.000	2
497	1	47	SER	HB3	H	4.224	0.000	2
498	1	47	SER	C	C	175.560	0.000	1
499	1	47	SER	CA	C	61.042	0.000	1
500	1	47	SER	CB	C	65.707	0.000	1
501	1	47	SER	N	N	112.734	0.000	1
502	1	48	VAL	H	H	7.562	0.002	1
503	1	48	VAL	HA	H	3.632	0.003	1
504	1	48	VAL	HB	H	2.301	0.002	1
505	1	48	VAL	HG11	H	0.964	0.002	2
506	1	48	VAL	HG12	H	0.964	0.002	2
507	1	48	VAL	HG13	H	0.964	0.002	2
508	1	48	VAL	HG21	H	1.056	0.002	2
509	1	48	VAL	HG22	H	1.056	0.002	2
510	1	48	VAL	HG23	H	1.056	0.002	2
511	1	48	VAL	C	C	179.314	0.000	1
512	1	48	VAL	CA	C	66.392	0.043	1
513	1	48	VAL	CB	C	31.556	0.043	1
514	1	48	VAL	CG1	C	20.916	0.032	1
515	1	48	VAL	CG2	C	22.539	0.050	1
516	1	48	VAL	N	N	122.173	0.000	1
517	1	49	MET	H	H	8.532	0.004	1
518	1	49	MET	HA	H	4.430	0.005	1
519	1	49	MET	HB2	H	2.014	0.004	2
520	1	49	MET	HB3	H	2.265	0.003	2
521	1	49	MET	HG2	H	2.709	0.002	2
522	1	49	MET	HG3	H	2.709	0.002	2
523	1	49	MET	HE1	H	2.132	0.000	1
524	1	49	MET	HE2	H	2.132	0.000	1
525	1	49	MET	HE3	H	2.132	0.000	1
526	1	49	MET	C	C	178.838	0.000	1
527	1	49	MET	CA	C	57.431	0.055	1
528	1	49	MET	CB	C	32.691	0.074	1
529	1	49	MET	CG	C	32.754	0.023	1
530	1	49	MET	CE	C	17.184	0.000	1
531	1	49	MET	N	N	121.563	0.025	1
532	1	50	ILE	H	H	8.579	0.015	1
533	1	50	ILE	HA	H	3.596	0.005	1
534	1	50	ILE	HB	H	1.918	0.001	1
535	1	50	ILE	HG12	H	1.552	0.002	2
536	1	50	ILE	HG13	H	1.040	0.003	2
537	1	50	ILE	HG21	H	0.616	0.001	1
538	1	50	ILE	HG22	H	0.616	0.001	1
539	1	50	ILE	HG23	H	0.616	0.001	1
540	1	50	ILE	HD11	H	0.608	0.001	1
541	1	50	ILE	HD12	H	0.608	0.001	1
542	1	50	ILE	HD13	H	0.608	0.001	1
543	1	50	ILE	C	C	177.744	0.000	1
544	1	50	ILE	CA	C	64.805	0.030	1
545	1	50	ILE	CB	C	36.428	0.043	1
546	1	50	ILE	CG1	C	29.569	0.031	1
547	1	50	ILE	CG2	C	18.064	0.035	1
548	1	50	ILE	CD1	C	11.910	0.022	1
549	1	50	ILE	N	N	120.508	0.053	1
550	1	51	ARG	H	H	7.851	0.000	1
551	1	51	ARG	HA	H	3.921	0.006	1
552	1	51	ARG	HB2	H	1.976	0.001	2
553	1	51	ARG	HB3	H	1.976	0.001	2
554	1	51	ARG	HG2	H	1.922	0.000	2
555	1	51	ARG	HG3	H	1.559	0.020	2
556	1	51	ARG	HD2	H	3.187	0.007	2
557	1	51	ARG	HD3	H	3.319	0.004	2
558	1	51	ARG	HE	H	7.583	0.000	1
559	1	51	ARG	C	C	179.196	0.000	1
560	1	51	ARG	CA	C	60.474	0.045	1
561	1	51	ARG	CB	C	29.595	0.201	1
562	1	51	ARG	CG	C	29.038	0.000	1
563	1	51	ARG	CD	C	43.359	0.091	1
564	1	51	ARG	N	N	119.156	0.036	1
565	1	51	ARG	NE	N	84.401	0.000	1
566	1	52	ALA	H	H	8.124	0.000	1
567	1	52	ALA	HA	H	4.188	0.002	1
568	1	52	ALA	HB1	H	1.542	0.000	1
569	1	52	ALA	HB2	H	1.542	0.000	1
570	1	52	ALA	HB3	H	1.542	0.000	1
571	1	52	ALA	C	C	180.631	0.000	1
572	1	52	ALA	CA	C	55.173	0.041	1
573	1	52	ALA	CB	C	17.802	0.123	1
574	1	52	ALA	N	N	123.686	0.000	1
575	1	53	LEU	H	H	8.801	0.000	1
576	1	53	LEU	HA	H	4.046	0.003	1
577	1	53	LEU	HB2	H	1.636	0.002	2
578	1	53	LEU	HB3	H	1.732	0.002	2
579	1	53	LEU	HD11	H	0.870	0.002	2
580	1	53	LEU	HD12	H	0.870	0.002	2
581	1	53	LEU	HD13	H	0.870	0.002	2
582	1	53	LEU	HD21	H	0.854	0.001	2
583	1	53	LEU	HD22	H	0.854	0.001	2
584	1	53	LEU	HD23	H	0.854	0.001	2
585	1	53	LEU	C	C	178.292	0.000	1
586	1	53	LEU	CA	C	57.646	0.070	1
587	1	53	LEU	CB	C	41.975	0.083	1
588	1	53	LEU	CG	C	26.865	0.007	1
589	1	53	LEU	CD1	C	24.752	0.044	1
590	1	53	LEU	CD2	C	25.996	0.055	1
591	1	53	LEU	N	N	120.213	0.000	1
592	1	54	ALA	H	H	8.451	0.010	1
593	1	54	ALA	HA	H	3.841	0.002	1
594	1	54	ALA	HB1	H	1.404	0.002	1
595	1	54	ALA	HB2	H	1.404	0.002	1
596	1	54	ALA	HB3	H	1.404	0.002	1
597	1	54	ALA	C	C	180.358	0.000	1
598	1	54	ALA	CA	C	55.769	0.107	1
599	1	54	ALA	CB	C	16.964	0.069	1
600	1	54	ALA	N	N	121.512	0.025	1
601	1	55	SER	H	H	8.165	0.000	1
602	1	55	SER	HA	H	4.276	0.007	1
603	1	55	SER	HB2	H	4.040	0.000	2
604	1	55	SER	HB3	H	4.040	0.000	2
605	1	55	SER	C	C	177.427	0.000	1
606	1	55	SER	CA	C	62.163	0.204	1
607	1	55	SER	CB	C	62.532	0.093	1
608	1	55	SER	N	N	115.426	0.025	1
609	1	56	ARG	H	H	8.307	0.005	1
610	1	56	ARG	HA	H	4.161	0.002	1
611	1	56	ARG	HB2	H	1.727	0.003	2
612	1	56	ARG	HB3	H	1.866	0.001	2
613	1	56	ARG	HG2	H	1.624	0.004	2
614	1	56	ARG	HG3	H	1.825	0.005	2
615	1	56	ARG	HD2	H	3.155	0.000	2
616	1	56	ARG	HD3	H	3.199	0.000	2
617	1	56	ARG	HE	H	7.586	0.000	1
618	1	56	ARG	C	C	179.320	0.000	1
619	1	56	ARG	CA	C	58.864	0.022	1
620	1	56	ARG	CB	C	29.302	0.061	1
621	1	56	ARG	CG	C	26.699	0.096	1
622	1	56	ARG	CD	C	42.096	0.019	1
623	1	56	ARG	N	N	123.157	0.013	1
624	1	56	ARG	NE	N	83.554	0.000	1
625	1	57	LEU	H	H	9.082	0.003	1
626	1	57	LEU	HA	H	3.950	0.003	1
627	1	57	LEU	HB2	H	2.042	0.002	2
628	1	57	LEU	HB3	H	1.334	0.002	2
629	1	57	LEU	HG	H	1.762	0.004	1
630	1	57	LEU	HD11	H	0.762	0.002	2
631	1	57	LEU	HD12	H	0.762	0.002	2
632	1	57	LEU	HD13	H	0.762	0.002	2
633	1	57	LEU	HD21	H	0.901	0.002	2
634	1	57	LEU	HD22	H	0.901	0.002	2
635	1	57	LEU	HD23	H	0.901	0.002	2
636	1	57	LEU	C	C	179.186	0.000	1
637	1	57	LEU	CA	C	58.524	0.084	1
638	1	57	LEU	CB	C	41.883	0.050	1
639	1	57	LEU	CG	C	27.381	0.048	1
640	1	57	LEU	CD1	C	26.797	0.056	1
641	1	57	LEU	CD2	C	23.818	0.046	1
642	1	57	LEU	N	N	118.764	0.022	1
643	1	58	SER	H	H	8.195	0.003	1
644	1	58	SER	HA	H	4.891	0.004	1
645	1	58	SER	HB2	H	4.234	0.002	2
646	1	58	SER	HB3	H	3.793	0.002	2
647	1	58	SER	C	C	174.918	0.000	1
648	1	58	SER	CA	C	61.433	0.206	1
649	1	58	SER	CB	C	63.230	0.040	1
650	1	58	SER	N	N	115.222	0.025	1
651	1	59	ALA	H	H	7.500	0.003	1
652	1	59	ALA	HA	H	4.211	0.001	1
653	1	59	ALA	HB1	H	1.530	0.002	1
654	1	59	ALA	HB2	H	1.530	0.002	1
655	1	59	ALA	HB3	H	1.530	0.002	1
656	1	59	ALA	C	C	179.478	0.000	1
657	1	59	ALA	CA	C	53.821	0.031	1
658	1	59	ALA	CB	C	19.256	0.023	1
659	1	59	ALA	N	N	121.837	0.026	1
660	1	60	GLU	H	H	7.886	0.003	1
661	1	60	GLU	HA	H	4.373	0.002	1
662	1	60	GLU	HB2	H	1.906	0.004	2
663	1	60	GLU	HB3	H	2.085	0.001	2
664	1	60	GLU	HG2	H	2.281	0.003	2
665	1	60	GLU	HG3	H	2.413	0.002	2
666	1	60	GLU	C	C	176.887	0.000	1
667	1	60	GLU	CA	C	57.388	0.050	1
668	1	60	GLU	CB	C	32.377	0.111	1
669	1	60	GLU	CG	C	36.359	0.062	1
670	1	60	GLU	N	N	113.577	0.016	1
671	1	61	VAL	H	H	8.711	0.003	1
672	1	61	VAL	HA	H	4.159	0.001	1
673	1	61	VAL	HB	H	2.086	0.002	1
674	1	61	VAL	HG11	H	0.847	0.001	2
675	1	61	VAL	HG12	H	0.847	0.001	2
676	1	61	VAL	HG13	H	0.847	0.001	2
677	1	61	VAL	HG21	H	0.847	0.001	2
678	1	61	VAL	HG22	H	0.847	0.001	2
679	1	61	VAL	HG23	H	0.847	0.001	2
680	1	61	VAL	C	C	173.963	0.000	1
681	1	61	VAL	CA	C	64.636	0.037	1
682	1	61	VAL	CB	C	34.243	0.035	1
683	1	61	VAL	CG1	C	21.702	0.035	1
684	1	61	VAL	CG2	C	21.672	0.017	1
685	1	61	VAL	N	N	118.843	0.015	1
686	1	62	ALA	H	H	8.253	0.000	1
687	1	62	ALA	HA	H	4.596	0.006	1
688	1	62	ALA	HB1	H	1.314	0.001	1
689	1	62	ALA	HB2	H	1.314	0.001	1
690	1	62	ALA	HB3	H	1.314	0.001	1
691	1	62	ALA	CA	C	50.842	0.086	1
692	1	62	ALA	CB	C	19.309	0.037	1
693	1	62	ALA	N	N	123.188	0.000	1
694	1	63	PRO	HA	H	4.150	0.005	1
695	1	63	PRO	HB2	H	1.918	0.000	2
696	1	63	PRO	HB3	H	2.220	0.003	2
697	1	63	PRO	HG2	H	1.975	0.002	2
698	1	63	PRO	HG3	H	2.132	0.002	2
699	1	63	PRO	HD2	H	3.501	0.003	2
700	1	63	PRO	HD3	H	3.762	0.002	2
701	1	63	PRO	C	C	176.376	0.000	1
702	1	63	PRO	CA	C	64.624	0.032	1
703	1	63	PRO	CB	C	31.534	0.045	1
704	1	63	PRO	CG	C	27.799	0.032	1
705	1	63	PRO	CD	C	49.862	0.059	1
706	1	64	VAL	H	H	8.391	0.005	1
707	1	64	VAL	HA	H	4.270	0.002	1
708	1	64	VAL	HB	H	2.031	0.002	1
709	1	64	VAL	HG11	H	0.943	0.003	2
710	1	64	VAL	HG12	H	0.943	0.003	2
711	1	64	VAL	HG13	H	0.943	0.003	2
712	1	64	VAL	HG21	H	0.867	0.002	2
713	1	64	VAL	HG22	H	0.867	0.002	2
714	1	64	VAL	HG23	H	0.867	0.002	2
715	1	64	VAL	C	C	174.276	0.000	1
716	1	64	VAL	CA	C	61.385	0.121	1
717	1	64	VAL	CB	C	35.501	0.078	1
718	1	64	VAL	CG1	C	22.085	0.042	1
719	1	64	VAL	CG2	C	21.607	0.038	1
720	1	64	VAL	N	N	124.828	0.014	1
721	1	65	GLY	H	H	7.875	0.009	1
722	1	65	GLY	HA2	H	4.603	0.005	2
723	1	65	GLY	HA3	H	3.869	0.001	2
724	1	65	GLY	CA	C	43.328	0.120	1
725	1	65	GLY	N	N	112.916	0.035	1
726	1	66	PRO	HA	H	3.822	0.001	1
727	1	66	PRO	HB2	H	2.017	0.002	2
728	1	66	PRO	HB3	H	1.982	0.002	2
729	1	66	PRO	HG2	H	2.025	0.002	2
730	1	66	PRO	HG3	H	2.199	0.002	2
731	1	66	PRO	HD2	H	3.679	0.003	2
732	1	66	PRO	HD3	H	3.877	0.002	2
733	1	66	PRO	C	C	177.435	0.000	1
734	1	66	PRO	CA	C	65.384	0.106	1
735	1	66	PRO	CB	C	31.635	0.041	1
736	1	66	PRO	CG	C	27.669	0.026	1
737	1	66	PRO	CD	C	49.452	0.055	1
738	1	67	GLU	H	H	9.250	0.000	1
739	1	67	GLU	HA	H	4.016	0.017	1
740	1	67	GLU	HB2	H	1.981	0.001	2
741	1	67	GLU	HB3	H	2.053	0.007	2
742	1	67	GLU	HG2	H	2.325	0.005	2
743	1	67	GLU	HG3	H	2.325	0.005	2
744	1	67	GLU	C	C	178.581	0.000	1
745	1	67	GLU	CA	C	59.105	0.045	1
746	1	67	GLU	CB	C	27.639	0.121	1
747	1	67	GLU	CG	C	36.043	0.081	1
748	1	67	GLU	N	N	115.936	0.000	1
749	1	68	MET	H	H	7.568	0.000	1
750	1	68	MET	HA	H	4.140	0.003	1
751	1	68	MET	HB2	H	2.040	0.001	2
752	1	68	MET	HB3	H	2.156	0.003	2
753	1	68	MET	HG2	H	2.451	0.002	2
754	1	68	MET	HG3	H	2.511	0.002	2
755	1	68	MET	HE1	H	1.986	0.000	1
756	1	68	MET	HE2	H	1.986	0.000	1
757	1	68	MET	HE3	H	1.986	0.000	1
758	1	68	MET	C	C	177.027	0.000	1
759	1	68	MET	CA	C	57.253	0.044	1
760	1	68	MET	CB	C	32.740	0.064	1
761	1	68	MET	CG	C	31.983	0.030	1
762	1	68	MET	CE	C	16.782	0.000	1
763	1	68	MET	N	N	118.741	0.000	1
764	1	69	LEU	H	H	7.379	0.000	1
765	1	69	LEU	HA	H	4.052	0.003	1
766	1	69	LEU	HB2	H	1.677	0.002	2
767	1	69	LEU	HB3	H	1.305	0.003	2
768	1	69	LEU	HG	H	1.536	0.002	1
769	1	69	LEU	HD11	H	0.746	0.002	2
770	1	69	LEU	HD12	H	0.746	0.002	2
771	1	69	LEU	HD13	H	0.746	0.002	2
772	1	69	LEU	HD21	H	0.641	0.001	2
773	1	69	LEU	HD22	H	0.641	0.001	2
774	1	69	LEU	HD23	H	0.641	0.001	2
775	1	69	LEU	C	C	177.332	0.000	1
776	1	69	LEU	CA	C	55.886	0.046	1
777	1	69	LEU	CB	C	41.842	0.047	1
778	1	69	LEU	CG	C	26.880	0.055	1
779	1	69	LEU	CD1	C	26.281	0.067	1
780	1	69	LEU	CD2	C	24.164	0.045	1
781	1	69	LEU	N	N	115.843	0.000	1
782	1	70	PHE	H	H	7.441	0.000	1
783	1	70	PHE	HA	H	4.331	0.004	1
784	1	70	PHE	HB2	H	2.959	0.001	2
785	1	70	PHE	HB3	H	3.101	0.001	2
786	1	70	PHE	HD1	H	7.215	0.002	1
787	1	70	PHE	HD2	H	7.215	0.002	1
788	1	70	PHE	HE1	H	7.271	0.000	1
789	1	70	PHE	HE2	H	7.271	0.000	1
790	1	70	PHE	HZ	H	7.237	0.001	1
791	1	70	PHE	C	C	176.857	0.000	1
792	1	70	PHE	CA	C	59.222	0.041	1
793	1	70	PHE	CB	C	39.190	0.048	1
794	1	70	PHE	CD1	C	131.553	0.042	1
795	1	70	PHE	CE1	C	131.198	0.179	1
796	1	70	PHE	CZ	C	129.409	0.121	1
797	1	70	PHE	N	N	116.387	0.000	1
798	1	71	GLY	H	H	8.120	0.000	1
799	1	71	GLY	HA2	H	3.804	0.001	2
800	1	71	GLY	HA3	H	3.935	0.004	2
801	1	71	GLY	C	C	174.472	0.000	1
802	1	71	GLY	CA	C	45.245	0.106	1
803	1	71	GLY	N	N	107.872	0.000	1
804	1	72	LEU	H	H	7.218	0.000	1
805	1	72	LEU	HA	H	4.287	0.004	1
806	1	72	LEU	HB2	H	1.737	0.002	2
807	1	72	LEU	HB3	H	1.403	0.004	2
808	1	72	LEU	HG	H	1.806	0.002	1
809	1	72	LEU	HD11	H	0.833	0.003	2
810	1	72	LEU	HD12	H	0.833	0.003	2
811	1	72	LEU	HD13	H	0.833	0.003	2
812	1	72	LEU	HD21	H	0.715	0.002	2
813	1	72	LEU	HD22	H	0.715	0.002	2
814	1	72	LEU	HD23	H	0.715	0.002	2
815	1	72	LEU	C	C	177.589	0.000	1
816	1	72	LEU	CA	C	54.330	0.132	1
817	1	72	LEU	CB	C	42.845	0.072	1
818	1	72	LEU	CG	C	26.007	0.089	1
819	1	72	LEU	CD1	C	26.882	0.068	1
820	1	72	LEU	CD2	C	23.044	0.016	1
821	1	72	LEU	N	N	120.118	0.000	1
822	1	73	ARG	H	H	9.390	0.000	1
823	1	73	ARG	HA	H	4.130	0.006	1
824	1	73	ARG	HB2	H	1.690	0.007	2
825	1	73	ARG	HB3	H	1.890	0.005	2
826	1	73	ARG	HG2	H	1.509	0.003	2
827	1	73	ARG	HG3	H	1.762	0.001	2
828	1	73	ARG	HD2	H	3.231	0.002	2
829	1	73	ARG	HD3	H	3.231	0.002	2
830	1	73	ARG	HE	H	7.323	0.000	1
831	1	73	ARG	C	C	176.930	0.000	1
832	1	73	ARG	CA	C	58.787	0.089	1
833	1	73	ARG	CB	C	31.369	0.084	1
834	1	73	ARG	CG	C	27.500	0.033	1
835	1	73	ARG	CD	C	43.256	0.028	1
836	1	73	ARG	N	N	122.410	0.000	1
837	1	73	ARG	NE	N	84.688	0.000	1
838	1	74	ASP	H	H	7.295	0.000	1
839	1	74	ASP	HA	H	4.641	0.008	1
840	1	74	ASP	HB2	H	2.869	0.004	2
841	1	74	ASP	HB3	H	3.015	0.004	2
842	1	74	ASP	C	C	175.252	0.000	1
843	1	74	ASP	CA	C	52.432	0.169	1
844	1	74	ASP	CB	C	42.023	0.067	1
845	1	74	ASP	N	N	112.954	0.017	1
846	1	75	LEU	H	H	8.141	0.000	1
847	1	75	LEU	HA	H	4.079	0.003	1
848	1	75	LEU	HB2	H	1.462	0.003	2
849	1	75	LEU	HB3	H	1.894	0.002	2
850	1	75	LEU	HG	H	1.795	0.003	1
851	1	75	LEU	HD11	H	0.679	0.002	2
852	1	75	LEU	HD12	H	0.679	0.002	2
853	1	75	LEU	HD13	H	0.679	0.002	2
854	1	75	LEU	HD21	H	0.792	0.001	2
855	1	75	LEU	HD22	H	0.792	0.001	2
856	1	75	LEU	HD23	H	0.792	0.001	2
857	1	75	LEU	C	C	178.850	0.000	1
858	1	75	LEU	CA	C	57.454	0.048	1
859	1	75	LEU	CB	C	40.699	0.041	1
860	1	75	LEU	CG	C	27.145	0.101	1
861	1	75	LEU	CD1	C	22.920	0.055	1
862	1	75	LEU	CD2	C	25.383	0.116	1
863	1	75	LEU	N	N	117.359	0.000	1
864	1	76	ASP	H	H	8.987	0.000	1
865	1	76	ASP	HA	H	4.308	0.008	1
866	1	76	ASP	HB2	H	2.416	0.004	2
867	1	76	ASP	HB3	H	2.516	0.001	2
868	1	76	ASP	C	C	178.135	0.000	1
869	1	76	ASP	CA	C	57.973	0.114	1
870	1	76	ASP	CB	C	39.850	0.071	1
871	1	76	ASP	N	N	123.080	0.000	1
872	1	77	GLU	H	H	8.159	0.000	1
873	1	77	GLU	HA	H	4.076	0.008	1
874	1	77	GLU	HB2	H	2.164	0.005	2
875	1	77	GLU	HB3	H	2.208	0.001	2
876	1	77	GLU	HG2	H	2.148	0.006	2
877	1	77	GLU	HG3	H	2.537	0.002	2
878	1	77	GLU	C	C	179.192	0.000	1
879	1	77	GLU	CA	C	59.352	0.082	1
880	1	77	GLU	CB	C	29.529	0.026	1
881	1	77	GLU	CG	C	37.025	0.047	1
882	1	77	GLU	N	N	119.866	0.000	1
883	1	78	LEU	H	H	7.325	0.000	1
884	1	78	LEU	HA	H	4.040	0.006	1
885	1	78	LEU	HB2	H	1.499	0.002	2
886	1	78	LEU	HB3	H	2.334	0.002	2
887	1	78	LEU	HG	H	1.496	0.003	1
888	1	78	LEU	HD11	H	0.882	0.002	2
889	1	78	LEU	HD12	H	0.882	0.002	2
890	1	78	LEU	HD13	H	0.882	0.002	2
891	1	78	LEU	HD21	H	0.773	0.001	2
892	1	78	LEU	HD22	H	0.773	0.001	2
893	1	78	LEU	HD23	H	0.773	0.001	2
894	1	78	LEU	C	C	178.208	0.000	1
895	1	78	LEU	CA	C	58.231	0.098	1
896	1	78	LEU	CB	C	40.898	0.090	1
897	1	78	LEU	CG	C	27.290	0.000	1
898	1	78	LEU	CD1	C	22.945	0.043	1
899	1	78	LEU	CD2	C	26.011	0.080	1
900	1	78	LEU	N	N	119.587	0.000	1
901	1	79	VAL	H	H	8.521	0.000	1
902	1	79	VAL	HA	H	3.304	0.002	1
903	1	79	VAL	HB	H	2.302	0.003	1
904	1	79	VAL	HG11	H	0.986	0.001	2
905	1	79	VAL	HG12	H	0.986	0.001	2
906	1	79	VAL	HG13	H	0.986	0.001	2
907	1	79	VAL	HG21	H	0.901	0.002	2
908	1	79	VAL	HG22	H	0.901	0.002	2
909	1	79	VAL	HG23	H	0.901	0.002	2
910	1	79	VAL	C	C	177.464	0.000	1
911	1	79	VAL	CA	C	67.741	0.088	1
912	1	79	VAL	CB	C	31.317	0.059	1
913	1	79	VAL	CG1	C	23.395	0.026	1
914	1	79	VAL	CG2	C	21.919	0.028	1
915	1	79	VAL	N	N	119.883	0.000	1
916	1	80	ASP	H	H	8.404	0.000	1
917	1	80	ASP	HA	H	4.346	0.012	1
918	1	80	ASP	HB2	H	2.618	0.004	2
919	1	80	ASP	HB3	H	2.866	0.002	2
920	1	80	ASP	C	C	179.250	0.000	1
921	1	80	ASP	CA	C	57.716	0.100	1
922	1	80	ASP	CB	C	40.027	0.089	1
923	1	80	ASP	N	N	118.547	0.000	1
924	1	81	HIS	H	H	7.909	0.000	1
925	1	81	HIS	HA	H	4.445	0.004	1
926	1	81	HIS	HB2	H	3.375	0.001	2
927	1	81	HIS	HB3	H	3.375	0.001	2
928	1	81	HIS	HD2	H	7.152	0.015	1
929	1	81	HIS	HE1	H	8.490	0.015	1
930	1	81	HIS	C	C	177.151	0.000	1
931	1	81	HIS	CA	C	58.464	0.173	1
932	1	81	HIS	CB	C	28.617	0.074	1
933	1	81	HIS	CD2	C	119.593	0.048	1
934	1	81	HIS	CE1	C	137.170	0.000	1
935	1	81	HIS	N	N	117.384	0.000	1
936	1	81	HIS	ND1	N	186.280	0.023	1
937	1	81	HIS	NE2	N	177.476	0.009	1
938	1	82	LEU	H	H	8.317	0.002	1
939	1	82	LEU	HA	H	4.123	0.003	1
940	1	82	LEU	HB2	H	1.360	0.002	2
941	1	82	LEU	HB3	H	1.985	0.003	2
942	1	82	LEU	HG	H	1.959	0.003	1
943	1	82	LEU	HD11	H	0.749	0.002	2
944	1	82	LEU	HD12	H	0.749	0.002	2
945	1	82	LEU	HD13	H	0.749	0.002	2
946	1	82	LEU	HD21	H	0.690	0.001	2
947	1	82	LEU	HD22	H	0.690	0.001	2
948	1	82	LEU	HD23	H	0.690	0.001	2
949	1	82	LEU	C	C	179.275	0.000	1
950	1	82	LEU	CA	C	56.995	0.062	1
951	1	82	LEU	CB	C	42.055	0.054	1
952	1	82	LEU	CG	C	26.142	0.095	1
953	1	82	LEU	CD1	C	22.174	0.039	1
954	1	82	LEU	CD2	C	25.922	0.040	1
955	1	82	LEU	N	N	119.723	0.005	1
956	1	83	VAL	H	H	8.323	0.002	1
957	1	83	VAL	HA	H	3.804	0.001	1
958	1	83	VAL	HB	H	2.181	0.002	1
959	1	83	VAL	HG11	H	0.943	0.002	2
960	1	83	VAL	HG12	H	0.943	0.002	2
961	1	83	VAL	HG13	H	0.943	0.002	2
962	1	83	VAL	HG21	H	1.010	0.001	2
963	1	83	VAL	HG22	H	1.010	0.001	2
964	1	83	VAL	HG23	H	1.010	0.001	2
965	1	83	VAL	C	C	176.534	0.000	1
966	1	83	VAL	CA	C	64.128	0.049	1
967	1	83	VAL	CB	C	31.969	0.067	1
968	1	83	VAL	CG1	C	21.195	0.045	1
969	1	83	VAL	CG2	C	22.073	0.056	1
970	1	83	VAL	N	N	117.479	0.021	1
971	1	84	ALA	H	H	7.412	0.003	1
972	1	84	ALA	HA	H	4.255	0.006	1
973	1	84	ALA	HB1	H	1.437	0.003	1
974	1	84	ALA	HB2	H	1.437	0.003	1
975	1	84	ALA	HB3	H	1.437	0.003	1
976	1	84	ALA	C	C	177.369	0.000	1
977	1	84	ALA	CA	C	52.774	0.135	1
978	1	84	ALA	CB	C	18.897	0.056	1
979	1	84	ALA	N	N	122.188	0.023	1
980	1	85	ALA	H	H	7.659	0.002	1
981	1	85	ALA	HA	H	4.279	0.001	1
982	1	85	ALA	HB1	H	1.387	0.000	1
983	1	85	ALA	HB2	H	1.387	0.000	1
984	1	85	ALA	HB3	H	1.387	0.000	1
985	1	85	ALA	C	C	176.732	0.000	1
986	1	85	ALA	CA	C	52.771	0.111	1
987	1	85	ALA	CB	C	18.954	0.019	1
988	1	85	ALA	N	N	122.101	0.010	1
989	1	86	ARG	H	H	7.742	0.002	1
990	1	86	ARG	HA	H	4.157	0.002	1
991	1	86	ARG	HB2	H	1.736	0.004	2
992	1	86	ARG	HB3	H	1.863	0.003	2
993	1	86	ARG	HG2	H	1.632	0.005	2
994	1	86	ARG	HG3	H	1.632	0.005	2
995	1	86	ARG	HD2	H	3.193	0.008	2
996	1	86	ARG	HD3	H	3.193	0.008	2
997	1	86	ARG	HE	H	7.247	0.000	1
998	1	86	ARG	CA	C	57.332	0.055	1
999	1	86	ARG	CB	C	31.432	0.046	1
1000	1	86	ARG	CG	C	27.106	0.038	1
1001	1	86	ARG	CD	C	43.507	0.088	1
1002	1	86	ARG	N	N	125.058	0.007	1
1003	1	86	ARG	NE	N	85.035	0.000	1
1004	2	1	PNS	C28	C	74.029	0.008	1
1005	2	1	PNS	H281	H	3.665	0.000	2
1006	2	1	PNS	H282	H	3.474	0.000	2
1007	2	1	PNS	QH30	H	0.792	0.000	2
1008	2	1	PNS	QH31	H	0.819	0.001	2
1009	2	1	PNS	C32	C	76.948	0.000	1
1010	2	1	PNS	H32	H	3.906	0.001	1
1011	2	1	PNS	H36	H	7.943	0.001	1
1012	2	1	PNS	C37	C	38.179	0.000	1
1013	2	1	PNS	H371	H	3.408	0.005	2
1014	2	1	PNS	H372	H	3.408	0.005	2
1015	2	1	PNS	C38	C	37.974	0.000	1
1016	2	1	PNS	H381	H	2.398	0.002	2
1017	2	1	PNS	H382	H	2.398	0.002	2
1018	2	1	PNS	H41	H	8.158	0.001	1
1019	2	1	PNS	C42	C	45.071	0.000	1
1020	2	1	PNS	H421	H	3.279	0.005	2
1021	2	1	PNS	H422	H	3.279	0.005	2
1022	2	1	PNS	C43	C	25.942	0.000	1
1023	2	1	PNS	H431	H	2.567	0.001	2
1024	2	1	PNS	H432	H	2.567	0.001	2

Release date

2022-08-22

Citation

NMR structure of holo-acp
Collin, S., Weissman, K.J., Chagot, B., Gruez, A.