BMRB: 34739

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), 85 monomers, 8875.868 Da Detail

GPGSAGRQEE IAEEVARLLA GVLYLEPDRL DPEETFLTLG VDSILGVEFV AAVNAAYPVG VKATALYDHP TPAAFARHIA ESLGA

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

Total weight

9234.216 Da

Max. entity weight

8875.868 Da

Source organism

Streptomyces virginiae

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 602, ¹³C: 370, ¹⁵N: 89 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	4.000	0.001	2
2	1	1	GLY	HA3	H	4.000	0.001	2
3	1	1	GLY	CA	C	43.419	0.017	1
4	1	2	PRO	HA	H	4.492	0.002	1
5	1	2	PRO	HB2	H	2.007	0.003	2
6	1	2	PRO	HB3	H	2.314	0.005	2
7	1	2	PRO	HG2	H	2.050	0.009	2
8	1	2	PRO	HG3	H	2.050	0.009	2
9	1	2	PRO	HD2	H	3.584	0.007	2
10	1	2	PRO	HD3	H	3.614	0.007	2
11	1	2	PRO	C	C	177.576	0.000	1
12	1	2	PRO	CA	C	63.501	0.049	1
13	1	2	PRO	CB	C	32.242	0.094	1
14	1	2	PRO	CG	C	27.107	0.054	1
15	1	2	PRO	CD	C	49.689	0.037	1
16	1	3	GLY	H	H	8.715	0.001	1
17	1	3	GLY	HA2	H	4.008	0.002	2
18	1	3	GLY	HA3	H	4.008	0.002	2
19	1	3	GLY	C	C	174.481	0.000	1
20	1	3	GLY	CA	C	45.364	0.033	1
21	1	3	GLY	N	N	110.100	0.016	1
22	1	4	SER	H	H	8.273	0.003	1
23	1	4	SER	HA	H	4.440	0.005	1
24	1	4	SER	HB2	H	3.887	0.002	2
25	1	4	SER	HB3	H	3.914	0.001	2
26	1	4	SER	C	C	174.722	0.000	1
27	1	4	SER	CA	C	58.686	0.160	1
28	1	4	SER	CB	C	63.694	0.182	1
29	1	4	SER	N	N	116.059	0.005	1
30	1	5	ALA	H	H	8.515	0.004	1
31	1	5	ALA	HA	H	4.332	0.002	1
32	1	5	ALA	HB1	H	1.417	0.006	1
33	1	5	ALA	HB2	H	1.417	0.006	1
34	1	5	ALA	HB3	H	1.417	0.006	1
35	1	5	ALA	C	C	178.561	0.000	1
36	1	5	ALA	CA	C	53.225	0.086	1
37	1	5	ALA	CB	C	19.080	0.034	1
38	1	5	ALA	N	N	126.171	0.012	1
39	1	6	GLY	H	H	8.421	0.006	1
40	1	6	GLY	HA2	H	4.014	0.007	2
41	1	6	GLY	HA3	H	4.014	0.007	2
42	1	6	GLY	C	C	175.121	0.000	1
43	1	6	GLY	CA	C	45.650	0.110	1
44	1	6	GLY	N	N	108.186	0.037	1
45	1	7	ARG	H	H	8.334	0.001	1
46	1	7	ARG	HA	H	4.313	0.003	1
47	1	7	ARG	HB2	H	1.833	0.003	2
48	1	7	ARG	HB3	H	1.976	0.008	2
49	1	7	ARG	HG2	H	1.697	0.004	2
50	1	7	ARG	HG3	H	1.697	0.004	2
51	1	7	ARG	HD2	H	3.169	0.003	2
52	1	7	ARG	HD3	H	3.313	0.002	2
53	1	7	ARG	HE	H	7.436	0.002	1
54	1	7	ARG	C	C	177.753	0.000	1
55	1	7	ARG	CA	C	57.582	0.059	1
56	1	7	ARG	CB	C	30.383	0.062	1
57	1	7	ARG	CG	C	27.024	0.064	1
58	1	7	ARG	CD	C	43.443	0.024	1
59	1	7	ARG	N	N	121.249	0.032	1
60	1	7	ARG	NE	N	84.831	0.046	1
61	1	8	GLN	H	H	8.581	0.002	1
62	1	8	GLN	HA	H	3.723	0.004	1
63	1	8	GLN	HB2	H	2.061	0.006	2
64	1	8	GLN	HB3	H	2.089	0.002	2
65	1	8	GLN	HG2	H	2.275	0.010	2
66	1	8	GLN	HG3	H	2.352	0.005	2
67	1	8	GLN	HE21	H	7.568	0.003	2
68	1	8	GLN	HE22	H	6.678	0.005	2
69	1	8	GLN	C	C	178.127	0.000	1
70	1	8	GLN	CA	C	60.106	0.031	1
71	1	8	GLN	CB	C	27.883	0.089	1
72	1	8	GLN	CG	C	34.062	0.070	1
73	1	8	GLN	N	N	118.908	0.029	1
74	1	8	GLN	NE2	N	110.710	0.028	1
75	1	9	GLU	H	H	8.523	0.003	1
76	1	9	GLU	HA	H	4.090	0.003	1
77	1	9	GLU	HB2	H	2.056	0.010	2
78	1	9	GLU	HB3	H	2.094	0.008	2
79	1	9	GLU	HG2	H	2.338	0.000	2
80	1	9	GLU	HG3	H	2.385	0.006	2
81	1	9	GLU	C	C	178.592	0.000	1
82	1	9	GLU	CA	C	59.628	0.057	1
83	1	9	GLU	CB	C	28.699	0.111	1
84	1	9	GLU	CG	C	36.598	0.051	1
85	1	9	GLU	N	N	119.776	0.027	1
86	1	10	GLU	H	H	7.943	0.007	1
87	1	10	GLU	HA	H	4.127	0.008	1
88	1	10	GLU	HB2	H	2.219	0.012	2
89	1	10	GLU	HB3	H	2.219	0.012	2
90	1	10	GLU	HG2	H	2.263	0.006	2
91	1	10	GLU	HG3	H	2.451	0.004	2
92	1	10	GLU	C	C	179.341	0.000	1
93	1	10	GLU	CA	C	59.182	0.021	1
94	1	10	GLU	CB	C	29.663	0.119	1
95	1	10	GLU	CG	C	36.153	0.109	1
96	1	10	GLU	N	N	121.124	0.031	1
97	1	11	ILE	H	H	8.131	0.006	1
98	1	11	ILE	HA	H	3.997	0.003	1
99	1	11	ILE	HB	H	1.662	0.006	1
100	1	11	ILE	HG12	H	0.812	0.005	2
101	1	11	ILE	HG13	H	1.607	0.003	2
102	1	11	ILE	HG21	H	0.596	0.004	1
103	1	11	ILE	HG22	H	0.596	0.004	1
104	1	11	ILE	HG23	H	0.596	0.004	1
105	1	11	ILE	HD11	H	0.487	0.004	1
106	1	11	ILE	HD12	H	0.487	0.004	1
107	1	11	ILE	HD13	H	0.487	0.004	1
108	1	11	ILE	C	C	177.846	0.000	1
109	1	11	ILE	CA	C	64.400	0.077	1
110	1	11	ILE	CB	C	38.065	0.029	1
111	1	11	ILE	CG1	C	28.874	0.089	1
112	1	11	ILE	CG2	C	17.222	0.027	1
113	1	11	ILE	CD1	C	13.753	0.052	1
114	1	11	ILE	N	N	120.628	0.050	1
115	1	12	ALA	H	H	8.250	0.007	1
116	1	12	ALA	HA	H	3.884	0.002	1
117	1	12	ALA	HB1	H	1.519	0.005	1
118	1	12	ALA	HB2	H	1.519	0.005	1
119	1	12	ALA	HB3	H	1.519	0.005	1
120	1	12	ALA	C	C	180.651	0.000	1
121	1	12	ALA	CA	C	56.122	0.087	1
122	1	12	ALA	CB	C	17.697	0.052	1
123	1	12	ALA	N	N	121.630	0.028	1
124	1	13	GLU	H	H	8.020	0.003	1
125	1	13	GLU	HA	H	4.123	0.002	1
126	1	13	GLU	HB2	H	2.204	0.009	2
127	1	13	GLU	HB3	H	2.204	0.009	2
128	1	13	GLU	HG2	H	2.351	0.008	2
129	1	13	GLU	HG3	H	2.527	0.005	2
130	1	13	GLU	C	C	179.018	0.000	1
131	1	13	GLU	CA	C	59.304	0.052	1
132	1	13	GLU	CB	C	29.318	0.035	1
133	1	13	GLU	CG	C	35.940	0.109	1
134	1	13	GLU	N	N	118.502	0.019	1
135	1	14	GLU	H	H	8.182	0.002	1
136	1	14	GLU	HA	H	4.393	0.004	1
137	1	14	GLU	HB2	H	2.335	0.007	2
138	1	14	GLU	HB3	H	2.409	0.006	2
139	1	14	GLU	HG2	H	2.384	0.004	2
140	1	14	GLU	HG3	H	2.538	0.004	2
141	1	14	GLU	C	C	179.349	0.000	1
142	1	14	GLU	CA	C	58.975	0.071	1
143	1	14	GLU	CB	C	29.424	0.063	1
144	1	14	GLU	CG	C	34.815	0.124	1
145	1	14	GLU	N	N	122.012	0.018	1
146	1	15	VAL	H	H	9.248	0.002	1
147	1	15	VAL	HA	H	3.778	0.004	1
148	1	15	VAL	HB	H	2.440	0.004	1
149	1	15	VAL	HG11	H	1.377	0.003	1
150	1	15	VAL	HG12	H	1.377	0.003	1
151	1	15	VAL	HG13	H	1.377	0.003	1
152	1	15	VAL	HG21	H	1.252	0.004	1
153	1	15	VAL	HG22	H	1.252	0.004	1
154	1	15	VAL	HG23	H	1.252	0.004	1
155	1	15	VAL	C	C	177.523	0.000	1
156	1	15	VAL	CA	C	67.933	0.035	1
157	1	15	VAL	CB	C	31.577	0.034	1
158	1	15	VAL	CG1	C	21.773	0.032	1
159	1	15	VAL	CG2	C	24.843	0.039	1
160	1	15	VAL	N	N	119.759	0.020	1
161	1	16	ALA	H	H	7.926	0.003	1
162	1	16	ALA	HA	H	3.980	0.003	1
163	1	16	ALA	HB1	H	1.579	0.005	1
164	1	16	ALA	HB2	H	1.579	0.005	1
165	1	16	ALA	HB3	H	1.579	0.005	1
166	1	16	ALA	C	C	179.278	0.000	1
167	1	16	ALA	CA	C	55.830	0.144	1
168	1	16	ALA	CB	C	17.791	0.069	1
169	1	16	ALA	N	N	120.944	0.022	1
170	1	17	ARG	H	H	8.135	0.003	1
171	1	17	ARG	HA	H	3.921	0.002	1
172	1	17	ARG	HB2	H	2.073	0.005	2
173	1	17	ARG	HB3	H	2.073	0.005	2
174	1	17	ARG	HG2	H	1.548	0.003	2
175	1	17	ARG	HG3	H	1.800	0.007	2
176	1	17	ARG	HD2	H	3.226	0.005	2
177	1	17	ARG	HD3	H	3.318	0.004	2
178	1	17	ARG	HE	H	7.903	0.001	1
179	1	17	ARG	C	C	180.298	0.000	1
180	1	17	ARG	CA	C	60.507	0.050	1
181	1	17	ARG	CB	C	30.494	0.083	1
182	1	17	ARG	CG	C	28.390	0.053	1
183	1	17	ARG	CD	C	43.233	0.051	1
184	1	17	ARG	N	N	119.238	0.035	1
185	1	17	ARG	NE	N	83.580	0.019	1
186	1	18	LEU	H	H	8.872	0.003	1
187	1	18	LEU	HA	H	4.226	0.005	1
188	1	18	LEU	HB2	H	1.410	0.004	2
189	1	18	LEU	HB3	H	2.313	0.006	2
190	1	18	LEU	HG	H	2.128	0.003	1
191	1	18	LEU	HD11	H	0.849	0.007	1
192	1	18	LEU	HD12	H	0.849	0.007	1
193	1	18	LEU	HD13	H	0.849	0.007	1
194	1	18	LEU	HD21	H	0.904	0.010	1
195	1	18	LEU	HD22	H	0.904	0.010	1
196	1	18	LEU	HD23	H	0.904	0.010	1
197	1	18	LEU	C	C	180.595	0.000	1
198	1	18	LEU	CA	C	57.470	0.060	1
199	1	18	LEU	CB	C	42.404	0.031	1
200	1	18	LEU	CG	C	26.593	0.052	1
201	1	18	LEU	CD1	C	25.935	0.059	1
202	1	18	LEU	CD2	C	22.765	0.172	1
203	1	18	LEU	N	N	121.270	0.040	1
204	1	19	LEU	H	H	8.578	0.003	1
205	1	19	LEU	HA	H	3.893	0.005	1
206	1	19	LEU	HB2	H	1.333	0.002	2
207	1	19	LEU	HB3	H	1.746	0.003	2
208	1	19	LEU	HG	H	1.336	0.002	1
209	1	19	LEU	HD11	H	0.141	0.003	1
210	1	19	LEU	HD12	H	0.141	0.003	1
211	1	19	LEU	HD13	H	0.141	0.003	1
212	1	19	LEU	HD21	H	0.567	0.006	1
213	1	19	LEU	HD22	H	0.567	0.006	1
214	1	19	LEU	HD23	H	0.567	0.006	1
215	1	19	LEU	C	C	177.998	0.000	1
216	1	19	LEU	CA	C	57.315	0.094	1
217	1	19	LEU	CB	C	40.674	0.062	1
218	1	19	LEU	CG	C	26.092	0.113	1
219	1	19	LEU	CD1	C	21.440	0.044	1
220	1	19	LEU	CD2	C	27.130	0.046	1
221	1	19	LEU	N	N	120.853	0.021	1
222	1	20	ALA	H	H	8.637	0.005	1
223	1	20	ALA	HA	H	3.753	0.003	1
224	1	20	ALA	HB1	H	1.479	0.003	1
225	1	20	ALA	HB2	H	1.479	0.003	1
226	1	20	ALA	HB3	H	1.479	0.003	1
227	1	20	ALA	C	C	179.544	0.000	1
228	1	20	ALA	CA	C	55.769	0.048	1
229	1	20	ALA	CB	C	17.186	0.089	1
230	1	20	ALA	N	N	121.164	0.023	1
231	1	21	GLY	H	H	7.777	0.006	1
232	1	21	GLY	HA2	H	3.896	0.004	2
233	1	21	GLY	HA3	H	3.896	0.004	2
234	1	21	GLY	C	C	176.611	0.000	1
235	1	21	GLY	CA	C	46.771	0.075	1
236	1	21	GLY	N	N	102.407	0.025	1
237	1	22	VAL	H	H	7.412	0.003	1
238	1	22	VAL	HA	H	3.921	0.002	1
239	1	22	VAL	HB	H	2.313	0.004	1
240	1	22	VAL	HG11	H	1.033	0.005	1
241	1	22	VAL	HG12	H	1.033	0.005	1
242	1	22	VAL	HG13	H	1.033	0.005	1
243	1	22	VAL	HG21	H	1.129	0.007	1
244	1	22	VAL	HG22	H	1.129	0.007	1
245	1	22	VAL	HG23	H	1.129	0.007	1
246	1	22	VAL	C	C	176.495	0.000	1
247	1	22	VAL	CA	C	64.469	0.042	1
248	1	22	VAL	CB	C	32.027	0.044	1
249	1	22	VAL	CG1	C	22.053	0.063	1
250	1	22	VAL	CG2	C	21.845	0.046	1
251	1	22	VAL	N	N	119.562	0.024	1
252	1	23	LEU	H	H	7.563	0.005	1
253	1	23	LEU	HA	H	4.250	0.009	1
254	1	23	LEU	HB2	H	1.548	0.003	2
255	1	23	LEU	HB3	H	1.606	0.013	2
256	1	23	LEU	HG	H	1.565	0.006	1
257	1	23	LEU	HD11	H	0.680	0.004	1
258	1	23	LEU	HD12	H	0.680	0.004	1
259	1	23	LEU	HD13	H	0.680	0.004	1
260	1	23	LEU	HD21	H	0.738	0.010	1
261	1	23	LEU	HD22	H	0.738	0.010	1
262	1	23	LEU	HD23	H	0.738	0.010	1
263	1	23	LEU	C	C	175.830	0.000	1
264	1	23	LEU	CA	C	54.572	0.066	1
265	1	23	LEU	CB	C	43.262	0.096	1
266	1	23	LEU	CG	C	26.346	0.000	1
267	1	23	LEU	CD1	C	26.090	0.049	1
268	1	23	LEU	CD2	C	22.460	0.062	1
269	1	23	LEU	N	N	116.682	0.017	1
270	1	24	TYR	H	H	7.619	0.004	1
271	1	24	TYR	HA	H	4.091	0.003	1
272	1	24	TYR	HB2	H	3.207	0.003	2
273	1	24	TYR	HB3	H	3.207	0.003	2
274	1	24	TYR	HD1	H	7.118	0.003	1
275	1	24	TYR	HD2	H	7.118	0.003	1
276	1	24	TYR	HE1	H	6.874	0.005	1
277	1	24	TYR	HE2	H	6.874	0.005	1
278	1	24	TYR	C	C	175.008	0.000	1
279	1	24	TYR	CA	C	59.235	0.081	1
280	1	24	TYR	CB	C	34.815	0.042	1
281	1	24	TYR	CD1	C	133.291	0.043	1
282	1	24	TYR	CD2	C	133.334	0.000	1
283	1	24	TYR	CE1	C	118.322	0.009	1
284	1	24	TYR	CE2	C	118.314	0.000	1
285	1	24	TYR	N	N	117.055	0.019	1
286	1	25	LEU	H	H	8.173	0.003	1
287	1	25	LEU	HA	H	4.682	0.003	1
288	1	25	LEU	HB2	H	1.280	0.004	2
289	1	25	LEU	HB3	H	1.494	0.002	2
290	1	25	LEU	HG	H	1.622	0.004	1
291	1	25	LEU	HD11	H	0.836	0.007	1
292	1	25	LEU	HD12	H	0.836	0.007	1
293	1	25	LEU	HD13	H	0.836	0.007	1
294	1	25	LEU	HD21	H	0.855	0.003	1
295	1	25	LEU	HD22	H	0.855	0.003	1
296	1	25	LEU	HD23	H	0.855	0.003	1
297	1	25	LEU	C	C	176.540	0.000	1
298	1	25	LEU	CA	C	52.945	0.045	1
299	1	25	LEU	CB	C	45.965	0.031	1
300	1	25	LEU	CG	C	26.148	0.071	1
301	1	25	LEU	CD1	C	25.438	0.028	1
302	1	25	LEU	CD2	C	23.792	0.088	1
303	1	25	LEU	N	N	118.985	0.030	1
304	1	26	GLU	H	H	8.317	0.002	1
305	1	26	GLU	HA	H	4.519	0.003	1
306	1	26	GLU	HB2	H	1.813	0.006	2
307	1	26	GLU	HB3	H	2.146	0.004	2
308	1	26	GLU	HG2	H	2.364	0.003	2
309	1	26	GLU	HG3	H	2.364	0.003	2
310	1	26	GLU	CA	C	54.605	0.147	1
311	1	26	GLU	CB	C	29.220	0.063	1
312	1	26	GLU	CG	C	36.313	0.020	1
313	1	26	GLU	N	N	122.432	0.059	1
314	1	27	PRO	HA	H	3.960	0.003	1
315	1	27	PRO	HB2	H	2.040	0.005	2
316	1	27	PRO	HB3	H	2.185	0.003	2
317	1	27	PRO	HG2	H	1.961	0.005	2
318	1	27	PRO	HG3	H	2.183	0.001	2
319	1	27	PRO	HD2	H	3.850	0.003	2
320	1	27	PRO	HD3	H	3.891	0.006	2
321	1	27	PRO	C	C	177.635	0.000	1
322	1	27	PRO	CA	C	65.690	0.162	1
323	1	27	PRO	CB	C	31.653	0.041	1
324	1	27	PRO	CG	C	27.808	0.085	1
325	1	27	PRO	CD	C	50.476	0.055	1
326	1	28	ASP	H	H	8.410	0.004	1
327	1	28	ASP	HA	H	4.465	0.005	1
328	1	28	ASP	HB2	H	2.672	0.003	2
329	1	28	ASP	HB3	H	2.730	0.009	2
330	1	28	ASP	C	C	176.728	0.000	1
331	1	28	ASP	CA	C	55.136	0.030	1
332	1	28	ASP	CB	C	39.625	0.074	1
333	1	28	ASP	N	N	113.689	0.019	1
334	1	29	ARG	H	H	7.896	0.002	1
335	1	29	ARG	HA	H	4.374	0.005	1
336	1	29	ARG	HB2	H	1.823	0.005	2
337	1	29	ARG	HB3	H	2.079	0.002	2
338	1	29	ARG	HG2	H	1.585	0.006	2
339	1	29	ARG	HG3	H	1.712	0.008	2
340	1	29	ARG	HD2	H	3.198	0.003	2
341	1	29	ARG	HD3	H	3.198	0.003	2
342	1	29	ARG	HE	H	7.274	0.003	1
343	1	29	ARG	C	C	175.640	0.000	1
344	1	29	ARG	CA	C	55.038	0.070	1
345	1	29	ARG	CB	C	30.445	0.069	1
346	1	29	ARG	CG	C	27.035	0.040	1
347	1	29	ARG	CD	C	43.021	0.060	1
348	1	29	ARG	N	N	117.229	0.013	1
349	1	29	ARG	NE	N	84.911	0.080	1
350	1	30	LEU	H	H	7.316	0.004	1
351	1	30	LEU	HA	H	4.173	0.006	1
352	1	30	LEU	HB2	H	1.387	0.007	2
353	1	30	LEU	HB3	H	1.729	0.003	2
354	1	30	LEU	HG	H	1.486	0.003	1
355	1	30	LEU	HD11	H	0.749	0.005	1
356	1	30	LEU	HD12	H	0.749	0.005	1
357	1	30	LEU	HD13	H	0.749	0.005	1
358	1	30	LEU	HD21	H	0.728	0.005	1
359	1	30	LEU	HD22	H	0.728	0.005	1
360	1	30	LEU	HD23	H	0.728	0.005	1
361	1	30	LEU	C	C	174.667	0.000	1
362	1	30	LEU	CA	C	54.724	0.048	1
363	1	30	LEU	CB	C	42.881	0.056	1
364	1	30	LEU	CG	C	27.339	0.047	1
365	1	30	LEU	CD1	C	25.927	0.070	1
366	1	30	LEU	CD2	C	25.070	0.059	1
367	1	30	LEU	N	N	122.030	0.025	1
368	1	31	ASP	H	H	8.190	0.005	1
369	1	31	ASP	HA	H	4.961	0.003	1
370	1	31	ASP	HB2	H	2.552	0.011	2
371	1	31	ASP	HB3	H	2.961	0.003	2
372	1	31	ASP	CA	C	50.333	0.020	1
373	1	31	ASP	CB	C	41.495	0.036	1
374	1	31	ASP	N	N	127.866	0.025	1
375	1	32	PRO	HA	H	4.070	0.006	1
376	1	32	PRO	HB2	H	2.014	0.007	2
377	1	32	PRO	HB3	H	2.077	0.005	2
378	1	32	PRO	HG2	H	1.980	0.005	2
379	1	32	PRO	HG3	H	1.980	0.005	2
380	1	32	PRO	HD2	H	3.951	0.007	2
381	1	32	PRO	HD3	H	4.122	0.003	2
382	1	32	PRO	C	C	175.562	0.000	1
383	1	32	PRO	CA	C	63.413	0.091	1
384	1	32	PRO	CB	C	32.565	0.107	1
385	1	32	PRO	CG	C	27.172	0.040	1
386	1	32	PRO	CD	C	50.694	0.067	1
387	1	33	GLU	H	H	8.146	0.003	1
388	1	33	GLU	HA	H	4.351	0.002	1
389	1	33	GLU	HB2	H	1.864	0.002	2
390	1	33	GLU	HB3	H	2.217	0.005	2
391	1	33	GLU	HG2	H	2.072	0.007	2
392	1	33	GLU	HG3	H	2.314	0.005	2
393	1	33	GLU	C	C	177.386	0.000	1
394	1	33	GLU	CA	C	55.390	0.009	1
395	1	33	GLU	CB	C	29.264	0.051	1
396	1	33	GLU	CG	C	36.042	0.052	1
397	1	33	GLU	N	N	115.146	0.011	1
398	1	34	GLU	H	H	7.411	0.004	1
399	1	34	GLU	HA	H	4.368	0.003	1
400	1	34	GLU	HB2	H	1.937	0.007	2
401	1	34	GLU	HB3	H	1.937	0.007	2
402	1	34	GLU	HG2	H	2.262	0.003	2
403	1	34	GLU	HG3	H	2.478	0.003	2
404	1	34	GLU	C	C	174.546	0.000	1
405	1	34	GLU	CA	C	55.199	0.072	1
406	1	34	GLU	CB	C	30.544	0.106	1
407	1	34	GLU	CG	C	36.111	0.027	1
408	1	34	GLU	N	N	121.440	0.054	1
409	1	35	THR	H	H	8.489	0.003	1
410	1	35	THR	HA	H	4.565	0.006	1
411	1	35	THR	HB	H	4.857	0.007	1
412	1	35	THR	HG21	H	1.308	0.005	1
413	1	35	THR	HG22	H	1.308	0.005	1
414	1	35	THR	HG23	H	1.308	0.005	1
415	1	35	THR	C	C	176.564	0.000	1
416	1	35	THR	CA	C	60.540	0.119	1
417	1	35	THR	CB	C	70.555	0.088	1
418	1	35	THR	CG2	C	22.024	0.082	1
419	1	35	THR	N	N	107.759	0.019	1
420	1	36	PHE	H	H	8.103	0.003	1
421	1	36	PHE	HA	H	4.008	0.005	1
422	1	36	PHE	HB2	H	2.957	0.008	2
423	1	36	PHE	HB3	H	2.957	0.008	2
424	1	36	PHE	HD1	H	7.031	0.003	1
425	1	36	PHE	HD2	H	7.031	0.003	1
426	1	36	PHE	HE1	H	7.301	0.008	1
427	1	36	PHE	HE2	H	7.301	0.008	1
428	1	36	PHE	HZ	H	6.675	0.003	1
429	1	36	PHE	C	C	177.923	0.000	1
430	1	36	PHE	CA	C	62.600	0.088	1
431	1	36	PHE	CB	C	38.036	0.020	1
432	1	36	PHE	CD1	C	130.975	0.095	1
433	1	36	PHE	CD2	C	130.950	0.000	1
434	1	36	PHE	CE1	C	131.886	0.068	1
435	1	36	PHE	CE2	C	131.799	0.000	1
436	1	36	PHE	CZ	C	128.413	0.056	1
437	1	36	PHE	N	N	117.601	0.081	1
438	1	37	LEU	H	H	8.110	0.006	1
439	1	37	LEU	HA	H	4.152	0.009	1
440	1	37	LEU	HB2	H	1.642	0.009	2
441	1	37	LEU	HB3	H	1.706	0.000	2
442	1	37	LEU	HG	H	1.676	0.004	1
443	1	37	LEU	HD11	H	0.986	0.004	1
444	1	37	LEU	HD12	H	0.986	0.004	1
445	1	37	LEU	HD13	H	0.986	0.004	1
446	1	37	LEU	HD21	H	0.938	0.009	1
447	1	37	LEU	HD22	H	0.938	0.009	1
448	1	37	LEU	HD23	H	0.938	0.009	1
449	1	37	LEU	C	C	180.891	0.000	1
450	1	37	LEU	CA	C	58.444	0.018	1
451	1	37	LEU	CB	C	41.936	0.038	1
452	1	37	LEU	CG	C	27.282	0.020	1
453	1	37	LEU	CD1	C	24.617	0.049	1
454	1	37	LEU	CD2	C	24.104	0.044	1
455	1	37	LEU	N	N	117.111	0.025	1
456	1	38	THR	H	H	8.147	0.001	1
457	1	38	THR	HA	H	3.866	0.002	1
458	1	38	THR	HB	H	4.340	0.003	1
459	1	38	THR	HG21	H	1.200	0.002	1
460	1	38	THR	HG22	H	1.200	0.002	1
461	1	38	THR	HG23	H	1.200	0.002	1
462	1	38	THR	C	C	176.478	0.000	1
463	1	38	THR	CA	C	66.405	0.050	1
464	1	38	THR	CB	C	68.244	0.064	1
465	1	38	THR	CG2	C	22.400	0.026	1
466	1	38	THR	N	N	120.415	0.021	1
467	1	39	LEU	H	H	8.119	0.003	1
468	1	39	LEU	HA	H	4.057	0.008	1
469	1	39	LEU	HB2	H	1.372	0.003	2
470	1	39	LEU	HB3	H	1.890	0.006	2
471	1	39	LEU	HG	H	1.597	0.007	1
472	1	39	LEU	HD11	H	0.477	0.008	1
473	1	39	LEU	HD12	H	0.477	0.008	1
474	1	39	LEU	HD13	H	0.477	0.008	1
475	1	39	LEU	HD21	H	0.828	0.004	1
476	1	39	LEU	HD22	H	0.828	0.004	1
477	1	39	LEU	HD23	H	0.828	0.004	1
478	1	39	LEU	C	C	175.983	0.000	1
479	1	39	LEU	CA	C	56.317	0.075	1
480	1	39	LEU	CB	C	42.911	0.043	1
481	1	39	LEU	CG	C	26.388	0.067	1
482	1	39	LEU	CD1	C	26.332	0.050	1
483	1	39	LEU	CD2	C	22.968	0.058	1
484	1	39	LEU	N	N	120.852	0.027	1
485	1	40	GLY	H	H	7.554	0.004	1
486	1	40	GLY	HA2	H	3.672	0.010	2
487	1	40	GLY	HA3	H	4.270	0.007	2
488	1	40	GLY	C	C	174.740	0.000	1
489	1	40	GLY	CA	C	44.975	0.023	1
490	1	40	GLY	N	N	103.648	0.017	1
491	1	41	VAL	H	H	8.112	0.002	1
492	1	41	VAL	HA	H	3.621	0.007	1
493	1	41	VAL	HB	H	2.021	0.006	1
494	1	41	VAL	HG11	H	0.609	0.004	1
495	1	41	VAL	HG12	H	0.609	0.004	1
496	1	41	VAL	HG13	H	0.609	0.004	1
497	1	41	VAL	HG21	H	0.862	0.004	1
498	1	41	VAL	HG22	H	0.862	0.004	1
499	1	41	VAL	HG23	H	0.862	0.004	1
500	1	41	VAL	C	C	173.815	0.000	1
501	1	41	VAL	CA	C	63.609	0.038	1
502	1	41	VAL	CB	C	30.610	0.031	1
503	1	41	VAL	CG1	C	21.213	0.040	1
504	1	41	VAL	CG2	C	23.266	0.120	1
505	1	41	VAL	N	N	121.128	0.053	1
506	1	42	ASP	H	H	7.102	0.005	1
507	1	42	ASP	HA	H	4.731	0.004	1
508	1	42	ASP	HB2	H	2.716	0.009	2
509	1	42	ASP	HB3	H	3.233	0.007	2
510	1	42	ASP	C	C	176.939	0.000	1
511	1	42	ASP	CA	C	52.409	0.041	1
512	1	42	ASP	CB	C	41.461	0.042	1
513	1	42	ASP	N	N	128.480	0.024	1
514	1	43	SER	H	H	8.817	0.003	1
515	1	43	SER	HA	H	4.287	0.006	1
516	1	43	SER	HB2	H	4.159	0.007	2
517	1	43	SER	HB3	H	4.212	0.003	2
518	1	43	SER	C	C	175.360	0.000	1
519	1	43	SER	CA	C	60.413	0.070	1
520	1	43	SER	CB	C	65.927	0.089	1
521	1	43	SER	N	N	113.155	0.021	1
522	1	44	ILE	H	H	7.611	0.003	1
523	1	44	ILE	HA	H	3.877	0.005	1
524	1	44	ILE	HB	H	2.122	0.003	1
525	1	44	ILE	HG12	H	1.220	0.004	2
526	1	44	ILE	HG13	H	1.627	0.002	2
527	1	44	ILE	HG21	H	0.957	0.004	1
528	1	44	ILE	HG22	H	0.957	0.004	1
529	1	44	ILE	HG23	H	0.957	0.004	1
530	1	44	ILE	HD11	H	0.905	0.006	1
531	1	44	ILE	HD12	H	0.905	0.006	1
532	1	44	ILE	HD13	H	0.905	0.006	1
533	1	44	ILE	C	C	178.903	0.000	1
534	1	44	ILE	CA	C	64.301	0.025	1
535	1	44	ILE	CB	C	37.696	0.034	1
536	1	44	ILE	CG1	C	28.636	0.058	1
537	1	44	ILE	CG2	C	17.380	0.048	1
538	1	44	ILE	CD1	C	12.482	0.056	1
539	1	44	ILE	N	N	123.258	0.015	1
540	1	45	LEU	H	H	8.875	0.006	1
541	1	45	LEU	HA	H	4.144	0.004	1
542	1	45	LEU	HB2	H	1.290	0.004	2
543	1	45	LEU	HB3	H	1.730	0.004	2
544	1	45	LEU	HG	H	1.934	0.004	1
545	1	45	LEU	HD11	H	1.009	0.004	1
546	1	45	LEU	HD12	H	1.009	0.004	1
547	1	45	LEU	HD13	H	1.009	0.004	1
548	1	45	LEU	HD21	H	0.919	0.004	1
549	1	45	LEU	HD22	H	0.919	0.004	1
550	1	45	LEU	HD23	H	0.919	0.004	1
551	1	45	LEU	C	C	179.801	0.000	1
552	1	45	LEU	CA	C	57.506	0.048	1
553	1	45	LEU	CB	C	42.439	0.036	1
554	1	45	LEU	CG	C	27.278	0.041	1
555	1	45	LEU	CD1	C	25.908	0.061	1
556	1	45	LEU	CD2	C	23.235	0.080	1
557	1	45	LEU	N	N	122.424	0.034	1
558	1	46	GLY	H	H	8.731	0.007	1
559	1	46	GLY	HA2	H	3.359	0.006	2
560	1	46	GLY	HA3	H	3.700	0.002	2
561	1	46	GLY	C	C	175.285	0.000	1
562	1	46	GLY	CA	C	47.766	0.028	1
563	1	46	GLY	N	N	107.343	0.024	1
564	1	47	VAL	H	H	7.326	0.006	1
565	1	47	VAL	HA	H	3.643	0.006	1
566	1	47	VAL	HB	H	2.262	0.005	1
567	1	47	VAL	HG11	H	1.005	0.004	1
568	1	47	VAL	HG12	H	1.005	0.004	1
569	1	47	VAL	HG13	H	1.005	0.004	1
570	1	47	VAL	HG21	H	1.150	0.003	1
571	1	47	VAL	HG22	H	1.150	0.003	1
572	1	47	VAL	HG23	H	1.150	0.003	1
573	1	47	VAL	C	C	178.870	0.000	1
574	1	47	VAL	CA	C	66.849	0.032	1
575	1	47	VAL	CB	C	31.929	0.036	1
576	1	47	VAL	CG1	C	21.325	0.041	1
577	1	47	VAL	CG2	C	23.096	0.049	1
578	1	47	VAL	N	N	120.962	0.027	1
579	1	48	GLU	H	H	7.427	0.004	1
580	1	48	GLU	HA	H	4.130	0.006	1
581	1	48	GLU	HB2	H	2.229	0.007	2
582	1	48	GLU	HB3	H	2.229	0.007	2
583	1	48	GLU	HG2	H	2.313	0.007	2
584	1	48	GLU	HG3	H	2.515	0.004	2
585	1	48	GLU	C	C	179.682	0.000	1
586	1	48	GLU	CA	C	59.227	0.052	1
587	1	48	GLU	CB	C	29.706	0.000	1
588	1	48	GLU	CG	C	35.603	0.046	1
589	1	48	GLU	N	N	120.882	0.018	1
590	1	49	PHE	H	H	8.763	0.004	1
591	1	49	PHE	HA	H	4.404	0.004	1
592	1	49	PHE	HB2	H	3.058	0.007	2
593	1	49	PHE	HB3	H	3.109	0.006	2
594	1	49	PHE	HD1	H	6.777	0.007	1
595	1	49	PHE	HD2	H	6.777	0.007	1
596	1	49	PHE	HE1	H	6.697	0.006	1
597	1	49	PHE	HE2	H	6.697	0.006	1
598	1	49	PHE	HZ	H	7.003	0.008	1
599	1	49	PHE	C	C	176.142	0.000	1
600	1	49	PHE	CA	C	59.881	0.016	1
601	1	49	PHE	CB	C	39.012	0.047	1
602	1	49	PHE	CD1	C	131.127	0.122	1
603	1	49	PHE	CD2	C	131.154	0.000	1
604	1	49	PHE	CE1	C	131.341	0.186	1
605	1	49	PHE	CE2	C	131.439	0.000	1
606	1	49	PHE	CZ	C	128.764	0.020	1
607	1	49	PHE	N	N	120.515	0.016	1
608	1	50	VAL	H	H	8.492	0.003	1
609	1	50	VAL	HA	H	3.079	0.002	1
610	1	50	VAL	HB	H	2.060	0.008	1
611	1	50	VAL	HG11	H	0.778	0.006	1
612	1	50	VAL	HG12	H	0.778	0.006	1
613	1	50	VAL	HG13	H	0.778	0.006	1
614	1	50	VAL	HG21	H	0.923	0.004	1
615	1	50	VAL	HG22	H	0.923	0.004	1
616	1	50	VAL	HG23	H	0.923	0.004	1
617	1	50	VAL	C	C	177.192	0.000	1
618	1	50	VAL	CA	C	67.259	0.048	1
619	1	50	VAL	CB	C	31.120	0.136	1
620	1	50	VAL	CG1	C	22.291	0.059	1
621	1	50	VAL	CG2	C	23.525	0.091	1
622	1	50	VAL	N	N	118.167	0.017	1
623	1	51	ALA	H	H	7.923	0.003	1
624	1	51	ALA	HA	H	4.199	0.003	1
625	1	51	ALA	HB1	H	1.512	0.006	1
626	1	51	ALA	HB2	H	1.512	0.006	1
627	1	51	ALA	HB3	H	1.512	0.006	1
628	1	51	ALA	C	C	180.706	0.000	1
629	1	51	ALA	CA	C	55.296	0.049	1
630	1	51	ALA	CB	C	17.612	0.090	1
631	1	51	ALA	N	N	121.538	0.051	1
632	1	52	ALA	H	H	7.712	0.004	1
633	1	52	ALA	HA	H	4.170	0.013	1
634	1	52	ALA	HB1	H	1.606	0.004	1
635	1	52	ALA	HB2	H	1.606	0.004	1
636	1	52	ALA	HB3	H	1.606	0.004	1
637	1	52	ALA	C	C	181.001	0.000	1
638	1	52	ALA	CA	C	54.935	0.037	1
639	1	52	ALA	CB	C	17.875	0.025	1
640	1	52	ALA	N	N	122.211	0.019	1
641	1	53	VAL	H	H	8.268	0.004	1
642	1	53	VAL	HA	H	3.460	0.003	1
643	1	53	VAL	HB	H	1.985	0.005	1
644	1	53	VAL	HG11	H	0.967	0.006	1
645	1	53	VAL	HG12	H	0.967	0.006	1
646	1	53	VAL	HG13	H	0.967	0.006	1
647	1	53	VAL	HG21	H	0.534	0.004	1
648	1	53	VAL	HG22	H	0.534	0.004	1
649	1	53	VAL	HG23	H	0.534	0.004	1
650	1	53	VAL	C	C	177.173	0.000	1
651	1	53	VAL	CA	C	67.062	0.063	1
652	1	53	VAL	CB	C	31.471	0.037	1
653	1	53	VAL	CG1	C	21.849	0.102	1
654	1	53	VAL	CG2	C	23.904	0.026	1
655	1	53	VAL	N	N	120.635	0.035	1
656	1	54	ASN	H	H	8.455	0.002	1
657	1	54	ASN	HA	H	5.127	0.003	1
658	1	54	ASN	HB2	H	2.702	0.006	2
659	1	54	ASN	HB3	H	2.819	0.006	2
660	1	54	ASN	HD21	H	7.720	0.005	2
661	1	54	ASN	HD22	H	7.043	0.002	2
662	1	54	ASN	C	C	177.291	0.000	1
663	1	54	ASN	CA	C	54.646	0.033	1
664	1	54	ASN	CB	C	38.700	0.030	1
665	1	54	ASN	N	N	117.032	0.016	1
666	1	54	ASN	ND2	N	110.827	0.023	1
667	1	55	ALA	H	H	7.526	0.006	1
668	1	55	ALA	HA	H	4.246	0.002	1
669	1	55	ALA	HB1	H	1.454	0.008	1
670	1	55	ALA	HB2	H	1.454	0.008	1
671	1	55	ALA	HB3	H	1.454	0.008	1
672	1	55	ALA	C	C	178.313	0.000	1
673	1	55	ALA	CA	C	53.349	0.038	1
674	1	55	ALA	CB	C	18.276	0.055	1
675	1	55	ALA	N	N	120.485	0.017	1
676	1	56	ALA	H	H	7.352	0.004	1
677	1	56	ALA	HA	H	4.036	0.003	1
678	1	56	ALA	HB1	H	1.098	0.006	1
679	1	56	ALA	HB2	H	1.098	0.006	1
680	1	56	ALA	HB3	H	1.098	0.006	1
681	1	56	ALA	C	C	177.294	0.000	1
682	1	56	ALA	CA	C	53.654	0.076	1
683	1	56	ALA	CB	C	20.097	0.030	1
684	1	56	ALA	N	N	121.608	0.054	1
685	1	57	TYR	H	H	8.567	0.004	1
686	1	57	TYR	HA	H	4.993	0.001	1
687	1	57	TYR	HB2	H	2.717	0.002	2
688	1	57	TYR	HB3	H	2.717	0.002	2
689	1	57	TYR	HD1	H	7.039	0.004	1
690	1	57	TYR	HD2	H	7.039	0.004	1
691	1	57	TYR	HE1	H	6.571	0.006	1
692	1	57	TYR	HE2	H	6.571	0.006	1
693	1	57	TYR	CA	C	54.518	0.040	1
694	1	57	TYR	CB	C	41.521	0.035	1
695	1	57	TYR	CD1	C	133.613	0.031	1
696	1	57	TYR	CD2	C	133.638	0.000	1
697	1	57	TYR	CE1	C	117.545	0.022	1
698	1	57	TYR	CE2	C	117.535	0.000	1
699	1	57	TYR	N	N	116.150	0.012	1
700	1	58	PRO	HA	H	5.020	0.011	1
701	1	58	PRO	HB2	H	1.875	0.003	2
702	1	58	PRO	HB3	H	2.368	0.007	2
703	1	58	PRO	HG2	H	1.875	0.001	2
704	1	58	PRO	HG3	H	2.102	0.004	2
705	1	58	PRO	HD2	H	3.647	0.003	2
706	1	58	PRO	HD3	H	3.647	0.003	2
707	1	58	PRO	C	C	176.620	0.000	1
708	1	58	PRO	CA	C	62.612	0.036	1
709	1	58	PRO	CB	C	28.063	0.070	1
710	1	58	PRO	CG	C	27.593	0.100	1
711	1	58	PRO	CD	C	50.340	0.073	1
712	1	59	VAL	H	H	8.699	0.005	1
713	1	59	VAL	HA	H	4.359	0.002	1
714	1	59	VAL	HB	H	2.088	0.003	1
715	1	59	VAL	HG11	H	0.753	0.004	1
716	1	59	VAL	HG12	H	0.753	0.004	1
717	1	59	VAL	HG13	H	0.753	0.004	1
718	1	59	VAL	HG21	H	0.879	0.005	1
719	1	59	VAL	HG22	H	0.879	0.005	1
720	1	59	VAL	HG23	H	0.879	0.005	1
721	1	59	VAL	C	C	176.475	0.000	1
722	1	59	VAL	CA	C	61.002	0.062	1
723	1	59	VAL	CB	C	33.163	0.120	1
724	1	59	VAL	CG1	C	22.381	0.063	1
725	1	59	VAL	CG2	C	19.444	0.034	1
726	1	59	VAL	N	N	116.665	0.016	1
727	1	60	GLY	H	H	8.589	0.003	1
728	1	60	GLY	HA2	H	3.674	0.011	2
729	1	60	GLY	HA3	H	3.713	0.005	2
730	1	60	GLY	C	C	175.972	0.000	1
731	1	60	GLY	CA	C	47.655	0.047	1
732	1	60	GLY	N	N	114.492	0.017	1
733	1	61	VAL	H	H	8.997	0.003	1
734	1	61	VAL	HA	H	4.209	0.006	1
735	1	61	VAL	HB	H	2.088	0.003	1
736	1	61	VAL	HG11	H	0.964	0.006	1
737	1	61	VAL	HG12	H	0.964	0.006	1
738	1	61	VAL	HG13	H	0.964	0.006	1
739	1	61	VAL	HG21	H	1.051	0.004	1
740	1	61	VAL	HG22	H	1.051	0.004	1
741	1	61	VAL	HG23	H	1.051	0.004	1
742	1	61	VAL	C	C	175.785	0.000	1
743	1	61	VAL	CA	C	62.001	0.021	1
744	1	61	VAL	CB	C	32.856	0.021	1
745	1	61	VAL	CG1	C	21.442	0.084	1
746	1	61	VAL	CG2	C	21.387	0.036	1
747	1	61	VAL	N	N	119.282	0.017	1
748	1	62	LYS	H	H	8.545	0.004	1
749	1	62	LYS	HA	H	4.666	0.004	1
750	1	62	LYS	HB2	H	1.823	0.003	2
751	1	62	LYS	HB3	H	2.115	0.003	2
752	1	62	LYS	HG2	H	1.511	0.003	2
753	1	62	LYS	HG3	H	1.608	0.007	2
754	1	62	LYS	HD2	H	1.711	0.005	2
755	1	62	LYS	HD3	H	1.711	0.005	2
756	1	62	LYS	HE2	H	3.038	0.002	2
757	1	62	LYS	HE3	H	3.038	0.002	2
758	1	62	LYS	HZ1	H	6.934	0.000	1
759	1	62	LYS	HZ2	H	6.934	0.000	1
760	1	62	LYS	HZ3	H	6.934	0.000	1
761	1	62	LYS	C	C	177.867	0.000	1
762	1	62	LYS	CA	C	54.620	0.011	1
763	1	62	LYS	CB	C	35.116	0.036	1
764	1	62	LYS	CG	C	25.248	0.074	1
765	1	62	LYS	CD	C	28.910	0.032	1
766	1	62	LYS	CE	C	42.330	0.042	1
767	1	62	LYS	N	N	123.598	0.015	1
768	1	62	LYS	NZ	N	27.636	0.000	1
769	1	63	ALA	H	H	9.056	0.003	1
770	1	63	ALA	HA	H	3.979	0.002	1
771	1	63	ALA	HB1	H	1.451	0.005	1
772	1	63	ALA	HB2	H	1.451	0.005	1
773	1	63	ALA	HB3	H	1.451	0.005	1
774	1	63	ALA	C	C	179.143	0.000	1
775	1	63	ALA	CA	C	55.534	0.045	1
776	1	63	ALA	CB	C	17.951	0.152	1
777	1	63	ALA	N	N	122.881	0.011	1
778	1	64	THR	H	H	7.324	0.003	1
779	1	64	THR	HA	H	3.971	0.002	1
780	1	64	THR	HB	H	4.431	0.002	1
781	1	64	THR	HG21	H	1.322	0.006	1
782	1	64	THR	HG22	H	1.322	0.006	1
783	1	64	THR	HG23	H	1.322	0.006	1
784	1	64	THR	C	C	176.714	0.000	1
785	1	64	THR	CA	C	63.754	0.032	1
786	1	64	THR	CB	C	68.171	0.109	1
787	1	64	THR	CG2	C	22.689	0.064	1
788	1	64	THR	N	N	106.322	0.049	1
789	1	65	ALA	H	H	8.322	0.003	1
790	1	65	ALA	HA	H	4.395	0.004	1
791	1	65	ALA	HB1	H	1.715	0.002	1
792	1	65	ALA	HB2	H	1.715	0.002	1
793	1	65	ALA	HB3	H	1.715	0.002	1
794	1	65	ALA	C	C	178.961	0.000	1
795	1	65	ALA	CA	C	54.961	0.050	1
796	1	65	ALA	CB	C	19.238	0.037	1
797	1	65	ALA	N	N	124.872	0.045	1
798	1	66	LEU	H	H	7.477	0.003	1
799	1	66	LEU	HA	H	3.997	0.008	1
800	1	66	LEU	HB2	H	0.965	0.003	2
801	1	66	LEU	HB3	H	1.381	0.002	2
802	1	66	LEU	HG	H	1.174	0.006	1
803	1	66	LEU	HD11	H	0.500	0.003	1
804	1	66	LEU	HD12	H	0.500	0.003	1
805	1	66	LEU	HD13	H	0.500	0.003	1
806	1	66	LEU	HD21	H	-0.257	0.003	1
807	1	66	LEU	HD22	H	-0.257	0.003	1
808	1	66	LEU	HD23	H	-0.257	0.003	1
809	1	66	LEU	C	C	177.525	0.000	1
810	1	66	LEU	CA	C	56.979	0.039	1
811	1	66	LEU	CB	C	40.529	0.028	1
812	1	66	LEU	CG	C	27.299	0.040	1
813	1	66	LEU	CD1	C	25.341	0.070	1
814	1	66	LEU	CD2	C	22.670	0.027	1
815	1	66	LEU	N	N	114.957	0.010	1
816	1	67	TYR	H	H	7.286	0.003	1
817	1	67	TYR	HA	H	4.428	0.004	1
818	1	67	TYR	HB2	H	3.012	0.004	2
819	1	67	TYR	HB3	H	3.149	0.003	2
820	1	67	TYR	HD1	H	7.147	0.007	1
821	1	67	TYR	HD2	H	7.147	0.007	1
822	1	67	TYR	HE1	H	6.805	0.004	1
823	1	67	TYR	HE2	H	6.805	0.004	1
824	1	67	TYR	C	C	177.304	0.000	1
825	1	67	TYR	CA	C	59.019	0.067	1
826	1	67	TYR	CB	C	38.123	0.031	1
827	1	67	TYR	CD1	C	133.112	0.028	1
828	1	67	TYR	CD2	C	133.115	0.000	1
829	1	67	TYR	CE1	C	118.276	0.003	1
830	1	67	TYR	CE2	C	118.276	0.000	1
831	1	67	TYR	N	N	116.068	0.016	1
832	1	68	ASP	H	H	7.425	0.003	1
833	1	68	ASP	HA	H	4.233	0.003	1
834	1	68	ASP	HB2	H	2.087	0.006	2
835	1	68	ASP	HB3	H	2.192	0.005	2
836	1	68	ASP	C	C	175.898	0.000	1
837	1	68	ASP	CA	C	55.807	0.038	1
838	1	68	ASP	CB	C	41.048	0.033	1
839	1	68	ASP	N	N	117.482	0.023	1
840	1	69	HIS	H	H	7.505	0.005	1
841	1	69	HIS	HA	H	5.107	0.004	1
842	1	69	HIS	HB2	H	2.558	0.007	2
843	1	69	HIS	HB3	H	3.576	0.002	2
844	1	69	HIS	HD2	H	6.717	0.002	1
845	1	69	HIS	HE1	H	7.995	0.001	1
846	1	69	HIS	CA	C	52.228	0.001	1
847	1	69	HIS	CB	C	28.833	0.024	1
848	1	69	HIS	CD2	C	121.015	0.061	1
849	1	69	HIS	CE1	C	137.863	0.007	1
850	1	69	HIS	N	N	116.609	0.017	1
851	1	69	HIS	ND1	N	205.881	0.000	1
852	1	69	HIS	NE2	N	176.712	0.100	1
853	1	70	PRO	HA	H	5.198	0.004	1
854	1	70	PRO	HB2	H	2.251	0.008	2
855	1	70	PRO	HB3	H	2.425	0.003	2
856	1	70	PRO	HG2	H	1.866	0.004	2
857	1	70	PRO	HG3	H	2.036	0.004	2
858	1	70	PRO	HD2	H	3.354	0.003	2
859	1	70	PRO	HD3	H	3.623	0.004	2
860	1	70	PRO	C	C	176.553	0.000	1
861	1	70	PRO	CA	C	66.640	0.077	1
862	1	70	PRO	CB	C	32.368	0.105	1
863	1	70	PRO	CG	C	26.757	0.105	1
864	1	70	PRO	CD	C	50.189	0.036	1
865	1	71	THR	H	H	7.332	0.004	1
866	1	71	THR	HA	H	4.431	0.005	1
867	1	71	THR	HB	H	4.356	0.003	1
868	1	71	THR	HG21	H	0.850	0.002	1
869	1	71	THR	HG22	H	0.850	0.002	1
870	1	71	THR	HG23	H	0.850	0.002	1
871	1	71	THR	CA	C	57.119	0.000	1
872	1	71	THR	CB	C	70.234	0.065	1
873	1	71	THR	CG2	C	21.597	0.042	1
874	1	71	THR	N	N	111.113	0.037	1
875	1	72	PRO	HA	H	4.079	0.008	1
876	1	72	PRO	HB2	H	1.999	0.007	2
877	1	72	PRO	HB3	H	1.999	0.007	2
878	1	72	PRO	HG2	H	1.246	0.008	2
879	1	72	PRO	HG3	H	1.616	0.004	2
880	1	72	PRO	HD2	H	2.613	0.006	2
881	1	72	PRO	HD3	H	4.023	0.003	2
882	1	72	PRO	C	C	178.036	0.000	1
883	1	72	PRO	CA	C	66.285	0.062	1
884	1	72	PRO	CB	C	30.991	0.048	1
885	1	72	PRO	CG	C	28.013	0.061	1
886	1	72	PRO	CD	C	50.568	0.061	1
887	1	73	ALA	H	H	8.684	0.003	1
888	1	73	ALA	HA	H	4.111	0.003	1
889	1	73	ALA	HB1	H	1.251	0.003	1
890	1	73	ALA	HB2	H	1.251	0.003	1
891	1	73	ALA	HB3	H	1.251	0.003	1
892	1	73	ALA	C	C	180.583	0.000	1
893	1	73	ALA	CA	C	55.389	0.060	1
894	1	73	ALA	CB	C	18.785	0.083	1
895	1	73	ALA	N	N	118.745	0.017	1
896	1	74	ALA	H	H	8.445	0.002	1
897	1	74	ALA	HA	H	4.157	0.008	1
898	1	74	ALA	HB1	H	1.616	0.005	1
899	1	74	ALA	HB2	H	1.616	0.005	1
900	1	74	ALA	HB3	H	1.616	0.005	1
901	1	74	ALA	C	C	181.180	0.000	1
902	1	74	ALA	CA	C	54.805	0.032	1
903	1	74	ALA	CB	C	18.253	0.063	1
904	1	74	ALA	N	N	122.527	0.016	1
905	1	75	PHE	H	H	9.469	0.003	1
906	1	75	PHE	HA	H	4.083	0.002	1
907	1	75	PHE	HB2	H	3.529	0.005	2
908	1	75	PHE	HB3	H	3.983	0.006	2
909	1	75	PHE	HD1	H	7.413	0.010	1
910	1	75	PHE	HD2	H	7.413	0.010	1
911	1	75	PHE	HE1	H	7.122	0.003	1
912	1	75	PHE	HE2	H	7.122	0.003	1
913	1	75	PHE	HZ	H	6.934	0.004	1
914	1	75	PHE	C	C	177.181	0.000	1
915	1	75	PHE	CA	C	62.193	0.003	1
916	1	75	PHE	CB	C	40.236	0.081	1
917	1	75	PHE	CD1	C	131.424	0.038	1
918	1	75	PHE	CD2	C	131.414	0.000	1
919	1	75	PHE	CE1	C	131.424	0.034	1
920	1	75	PHE	CE2	C	131.380	0.000	1
921	1	75	PHE	CZ	C	128.595	0.062	1
922	1	75	PHE	N	N	122.908	0.015	1
923	1	76	ALA	H	H	9.245	0.003	1
924	1	76	ALA	HA	H	3.893	0.004	1
925	1	76	ALA	HB1	H	1.573	0.005	1
926	1	76	ALA	HB2	H	1.573	0.005	1
927	1	76	ALA	HB3	H	1.573	0.005	1
928	1	76	ALA	C	C	179.241	0.000	1
929	1	76	ALA	CA	C	55.612	0.091	1
930	1	76	ALA	CB	C	18.153	0.052	1
931	1	76	ALA	N	N	121.107	0.016	1
932	1	77	ARG	H	H	7.686	0.007	1
933	1	77	ARG	HA	H	4.016	0.007	1
934	1	77	ARG	HB2	H	1.931	0.006	2
935	1	77	ARG	HB3	H	1.931	0.006	2
936	1	77	ARG	HG2	H	1.558	0.011	2
937	1	77	ARG	HG3	H	1.768	0.006	2
938	1	77	ARG	HD2	H	3.194	0.011	2
939	1	77	ARG	HD3	H	3.261	0.003	2
940	1	77	ARG	HE	H	7.397	0.002	1
941	1	77	ARG	C	C	177.901	0.000	1
942	1	77	ARG	CA	C	59.584	0.050	1
943	1	77	ARG	CB	C	29.799	0.073	1
944	1	77	ARG	CG	C	27.911	0.053	1
945	1	77	ARG	CD	C	43.431	0.100	1
946	1	77	ARG	N	N	117.941	0.020	1
947	1	77	ARG	NE	N	84.449	0.043	1
948	1	78	HIS	H	H	7.593	0.002	1
949	1	78	HIS	HA	H	4.256	0.005	1
950	1	78	HIS	HB2	H	2.066	0.004	2
951	1	78	HIS	HB3	H	2.950	0.003	2
952	1	78	HIS	HD2	H	6.048	0.003	1
953	1	78	HIS	HE1	H	7.874	0.001	1
954	1	78	HIS	C	C	177.873	0.000	1
955	1	78	HIS	CA	C	58.829	0.041	1
956	1	78	HIS	CB	C	27.757	0.058	1
957	1	78	HIS	CD2	C	121.237	0.000	1
958	1	78	HIS	CE1	C	139.247	0.004	1
959	1	78	HIS	N	N	118.697	0.020	1
960	1	78	HIS	ND1	N	191.790	0.000	1
961	1	78	HIS	NE2	N	204.565	0.013	1
962	1	79	ILE	H	H	7.936	0.003	1
963	1	79	ILE	HA	H	3.096	0.004	1
964	1	79	ILE	HB	H	1.781	0.002	1
965	1	79	ILE	HG12	H	0.919	0.004	2
966	1	79	ILE	HG13	H	0.995	0.009	2
967	1	79	ILE	HG21	H	0.253	0.005	1
968	1	79	ILE	HG22	H	0.253	0.005	1
969	1	79	ILE	HG23	H	0.253	0.005	1
970	1	79	ILE	HD11	H	0.311	0.004	1
971	1	79	ILE	HD12	H	0.311	0.004	1
972	1	79	ILE	HD13	H	0.311	0.004	1
973	1	79	ILE	C	C	177.239	0.000	1
974	1	79	ILE	CA	C	63.462	0.034	1
975	1	79	ILE	CB	C	35.690	0.100	1
976	1	79	ILE	CG1	C	26.985	0.118	1
977	1	79	ILE	CG2	C	17.113	0.039	1
978	1	79	ILE	CD1	C	11.463	0.047	1
979	1	79	ILE	N	N	120.319	0.062	1
980	1	80	ALA	H	H	8.044	0.006	1
981	1	80	ALA	HA	H	3.697	0.007	1
982	1	80	ALA	HB1	H	1.370	0.006	1
983	1	80	ALA	HB2	H	1.370	0.006	1
984	1	80	ALA	HB3	H	1.370	0.006	1
985	1	80	ALA	C	C	180.043	0.000	1
986	1	80	ALA	CA	C	55.568	0.041	1
987	1	80	ALA	CB	C	18.062	0.044	1
988	1	80	ALA	N	N	120.568	0.025	1
989	1	81	GLU	H	H	8.210	0.004	1
990	1	81	GLU	HA	H	4.014	0.005	1
991	1	81	GLU	HB2	H	1.998	0.007	2
992	1	81	GLU	HB3	H	2.056	0.009	2
993	1	81	GLU	HG2	H	2.252	0.004	2
994	1	81	GLU	HG3	H	2.415	0.006	2
995	1	81	GLU	C	C	179.544	0.000	1
996	1	81	GLU	CA	C	58.815	0.101	1
997	1	81	GLU	CB	C	29.495	0.112	1
998	1	81	GLU	CG	C	36.508	0.060	1
999	1	81	GLU	N	N	117.362	0.017	1
1000	1	82	SER	H	H	7.749	0.005	1
1001	1	82	SER	HA	H	4.178	0.002	1
1002	1	82	SER	HB2	H	3.681	0.003	2
1003	1	82	SER	HB3	H	3.732	0.006	2
1004	1	82	SER	C	C	174.977	0.000	1
1005	1	82	SER	CA	C	61.036	0.138	1
1006	1	82	SER	CB	C	63.048	0.096	1
1007	1	82	SER	N	N	115.951	0.014	1
1008	1	83	LEU	H	H	7.513	0.004	1
1009	1	83	LEU	HA	H	4.174	0.003	1
1010	1	83	LEU	HB2	H	1.543	0.010	2
1011	1	83	LEU	HB3	H	1.543	0.010	2
1012	1	83	LEU	HG	H	1.546	0.004	1
1013	1	83	LEU	HD11	H	0.622	0.002	1
1014	1	83	LEU	HD12	H	0.622	0.002	1
1015	1	83	LEU	HD13	H	0.622	0.002	1
1016	1	83	LEU	HD21	H	0.753	0.004	1
1017	1	83	LEU	HD22	H	0.753	0.004	1
1018	1	83	LEU	HD23	H	0.753	0.004	1
1019	1	83	LEU	C	C	177.620	0.000	1
1020	1	83	LEU	CA	C	55.331	0.079	1
1021	1	83	LEU	CB	C	42.775	0.086	1
1022	1	83	LEU	CG	C	26.172	0.071	1
1023	1	83	LEU	CD1	C	26.117	0.039	1
1024	1	83	LEU	CD2	C	23.167	0.120	1
1025	1	83	LEU	N	N	120.588	0.022	1
1026	1	84	GLY	H	H	7.779	0.004	1
1027	1	84	GLY	HA2	H	3.906	0.003	2
1028	1	84	GLY	HA3	H	3.906	0.003	2
1029	1	84	GLY	C	C	173.290	0.000	1
1030	1	84	GLY	CA	C	43.510	0.029	1
1031	1	84	GLY	N	N	108.334	0.015	1
1032	1	85	ALA	H	H	7.793	0.002	1
1033	1	85	ALA	HA	H	4.109	0.005	1
1034	1	85	ALA	HB1	H	1.256	0.006	1
1035	1	85	ALA	HB2	H	1.256	0.006	1
1036	1	85	ALA	HB3	H	1.256	0.006	1
1037	1	85	ALA	CA	C	53.601	0.045	1
1038	1	85	ALA	CB	C	20.087	0.051	1
1039	1	85	ALA	N	N	128.734	0.038	1
1040	2	1	PNS	C28	C	73.972	0.004	1
1041	2	1	PNS	H281	H	3.493	0.002	2
1042	2	1	PNS	H282	H	3.750	0.005	2
1043	2	1	PNS	C30	C	21.898	0.000	1
1044	2	1	PNS	QH30	H	0.825	0.002	2
1045	2	1	PNS	QH31	H	0.910	0.002	2
1046	2	1	PNS	C32	C	77.349	0.000	1
1047	2	1	PNS	H32	H	3.969	0.002	1
1048	2	1	PNS	H36	H	8.034	0.001	1
1049	2	1	PNS	C37	C	38.347	0.004	1
1050	2	1	PNS	H371	H	3.490	0.006	2
1051	2	1	PNS	H372	H	3.490	0.006	2
1052	2	1	PNS	C38	C	38.081	0.003	1
1053	2	1	PNS	H381	H	2.477	0.003	2
1054	2	1	PNS	H382	H	2.477	0.003	2
1055	2	1	PNS	H41	H	8.181	0.002	1
1056	2	1	PNS	C42	C	45.156	0.010	1
1057	2	1	PNS	H421	H	3.300	0.003	2
1058	2	1	PNS	H422	H	3.300	0.003	2
1059	2	1	PNS	C43	C	26.044	0.001	1
1060	2	1	PNS	H431	H	2.585	0.002	2
1061	2	1	PNS	H432	H	2.585	0.002	2

Release date

2022-11-21

Citation

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