BMRB: 34744

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), 83 monomers, 8928.987 Da Detail

GPGSMYGEAV TEQLSRLVAG FVPDAAGSVD PDRTLLEHGI DSINLMNLRF EITERFGRTL PLQLLSESTV PVLAAHLSAD RAH

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

Total weight

9287.335 Da

Max. entity weight

8928.987 Da

Source organism

Streptomyces virginiae

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 598, ¹³C: 348, ¹⁵N: 90 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	3.929	0.000	2
2	1	1	GLY	HA3	H	3.929	0.000	2
3	1	1	GLY	CA	C	43.360	0.000	1
4	1	2	PRO	HA	H	4.424	0.001	1
5	1	2	PRO	HB2	H	2.250	0.002	2
6	1	2	PRO	HB3	H	1.946	0.006	2
7	1	2	PRO	HG2	H	1.977	0.002	2
8	1	2	PRO	HG3	H	1.977	0.002	2
9	1	2	PRO	HD2	H	3.562	0.001	2
10	1	2	PRO	HD3	H	3.524	0.001	2
11	1	2	PRO	C	C	177.439	0.049	1
12	1	2	PRO	CA	C	63.450	0.035	1
13	1	2	PRO	CB	C	32.082	0.050	1
14	1	2	PRO	CG	C	27.049	0.037	1
15	1	2	PRO	CD	C	49.588	0.016	1
16	1	3	GLY	H	H	8.650	0.000	1
17	1	3	GLY	HA2	H	3.942	0.000	2
18	1	3	GLY	HA3	H	3.942	0.000	2
19	1	3	GLY	C	C	174.334	0.000	1
20	1	3	GLY	CA	C	45.291	0.033	1
21	1	3	GLY	N	N	109.814	0.000	1
22	1	4	SER	H	H	8.174	0.000	1
23	1	4	SER	HA	H	4.393	0.002	1
24	1	4	SER	HB2	H	3.800	0.000	2
25	1	4	SER	HB3	H	3.800	0.000	2
26	1	4	SER	C	C	174.884	0.000	1
27	1	4	SER	CA	C	58.531	0.038	1
28	1	4	SER	CB	C	63.850	0.005	1
29	1	4	SER	N	N	115.635	0.000	1
30	1	5	MET	H	H	8.468	0.000	1
31	1	5	MET	HA	H	4.380	0.005	1
32	1	5	MET	HB2	H	1.898	0.003	2
33	1	5	MET	HB3	H	1.898	0.003	2
34	1	5	MET	HG2	H	2.406	0.003	2
35	1	5	MET	HG3	H	2.345	0.005	2
36	1	5	MET	HE1	H	1.985	0.000	1
37	1	5	MET	HE2	H	1.985	0.000	1
38	1	5	MET	HE3	H	1.985	0.000	1
39	1	5	MET	C	C	176.280	0.000	1
40	1	5	MET	CA	C	55.974	0.047	1
41	1	5	MET	CB	C	32.592	0.031	1
42	1	5	MET	CG	C	31.797	0.020	1
43	1	5	MET	CE	C	16.825	0.000	1
44	1	5	MET	N	N	122.208	0.000	1
45	1	6	TYR	H	H	8.188	0.000	1
46	1	6	TYR	HA	H	4.530	0.003	1
47	1	6	TYR	HB2	H	3.053	0.004	2
48	1	6	TYR	HB3	H	2.921	0.007	2
49	1	6	TYR	HD1	H	7.080	0.002	1
50	1	6	TYR	HD2	H	7.080	0.002	1
51	1	6	TYR	HE1	H	6.782	0.002	1
52	1	6	TYR	HE2	H	6.782	0.002	1
53	1	6	TYR	C	C	176.551	0.000	1
54	1	6	TYR	CA	C	58.379	0.078	1
55	1	6	TYR	CB	C	38.680	0.040	1
56	1	6	TYR	CD1	C	133.118	0.000	1
57	1	6	TYR	CE1	C	118.212	0.000	1
58	1	6	TYR	N	N	120.579	0.000	1
59	1	7	GLY	H	H	8.380	0.000	1
60	1	7	GLY	HA2	H	3.893	0.003	2
61	1	7	GLY	HA3	H	3.775	0.002	2
62	1	7	GLY	C	C	175.118	0.000	1
63	1	7	GLY	CA	C	45.971	0.037	1
64	1	7	GLY	N	N	109.476	0.002	1
65	1	8	GLU	H	H	8.236	0.000	1
66	1	8	GLU	HA	H	4.183	0.006	1
67	1	8	GLU	HB2	H	2.053	0.002	2
68	1	8	GLU	HB3	H	1.971	0.003	2
69	1	8	GLU	HG2	H	2.266	0.003	2
70	1	8	GLU	HG3	H	2.266	0.003	2
71	1	8	GLU	C	C	177.270	0.000	1
72	1	8	GLU	CA	C	57.471	0.119	1
73	1	8	GLU	CB	C	30.124	0.041	1
74	1	8	GLU	CG	C	36.265	0.073	1
75	1	8	GLU	N	N	121.581	0.000	1
76	1	9	ALA	H	H	8.323	0.000	1
77	1	9	ALA	HA	H	4.301	0.002	1
78	1	9	ALA	HB1	H	1.470	0.002	1
79	1	9	ALA	HB2	H	1.470	0.002	1
80	1	9	ALA	HB3	H	1.470	0.002	1
81	1	9	ALA	C	C	179.656	0.000	1
82	1	9	ALA	CA	C	53.839	0.029	1
83	1	9	ALA	CB	C	18.591	0.023	1
84	1	9	ALA	N	N	124.603	0.000	1
85	1	10	VAL	H	H	8.308	0.000	1
86	1	10	VAL	HA	H	3.728	0.001	1
87	1	10	VAL	HB	H	1.995	0.001	1
88	1	10	VAL	HG11	H	0.724	0.001	2
89	1	10	VAL	HG12	H	0.724	0.001	2
90	1	10	VAL	HG13	H	0.724	0.001	2
91	1	10	VAL	HG21	H	0.905	0.001	2
92	1	10	VAL	HG22	H	0.905	0.001	2
93	1	10	VAL	HG23	H	0.905	0.001	2
94	1	10	VAL	C	C	177.521	0.000	1
95	1	10	VAL	CA	C	66.318	0.034	1
96	1	10	VAL	CB	C	31.457	0.048	1
97	1	10	VAL	CG1	C	21.347	0.032	1
98	1	10	VAL	CG2	C	22.683	0.052	1
99	1	10	VAL	N	N	119.920	0.011	1
100	1	11	THR	H	H	8.017	0.000	1
101	1	11	THR	HA	H	3.470	0.002	1
102	1	11	THR	HB	H	4.116	0.002	1
103	1	11	THR	HG21	H	1.047	0.001	1
104	1	11	THR	HG22	H	1.047	0.001	1
105	1	11	THR	HG23	H	1.047	0.001	1
106	1	11	THR	C	C	176.465	0.000	1
107	1	11	THR	CA	C	67.384	0.083	1
108	1	11	THR	CB	C	67.691	0.048	1
109	1	11	THR	CG2	C	22.092	0.044	1
110	1	11	THR	N	N	115.444	0.000	1
111	1	12	GLU	H	H	7.822	0.000	1
112	1	12	GLU	HA	H	4.042	0.004	1
113	1	12	GLU	HB2	H	2.105	0.001	2
114	1	12	GLU	HB3	H	2.075	0.003	2
115	1	12	GLU	HG2	H	2.266	0.001	2
116	1	12	GLU	HG3	H	2.266	0.001	2
117	1	12	GLU	C	C	178.874	0.000	1
118	1	12	GLU	CA	C	59.606	0.045	1
119	1	12	GLU	CB	C	29.329	0.046	1
120	1	12	GLU	CG	C	36.195	0.033	1
121	1	12	GLU	N	N	122.765	0.005	1
122	1	13	GLN	H	H	8.153	0.000	1
123	1	13	GLN	HA	H	3.998	0.002	1
124	1	13	GLN	HB2	H	2.269	0.005	2
125	1	13	GLN	HB3	H	2.168	0.003	2
126	1	13	GLN	HG2	H	2.534	0.002	2
127	1	13	GLN	HG3	H	2.348	0.004	2
128	1	13	GLN	HE21	H	7.318	0.000	2
129	1	13	GLN	HE22	H	6.770	0.000	2
130	1	13	GLN	C	C	179.827	0.000	1
131	1	13	GLN	CA	C	59.052	0.038	1
132	1	13	GLN	CB	C	29.144	0.087	1
133	1	13	GLN	CG	C	34.125	0.013	1
134	1	13	GLN	N	N	118.584	0.000	1
135	1	13	GLN	NE2	N	110.669	0.001	1
136	1	14	LEU	H	H	9.006	0.000	1
137	1	14	LEU	HA	H	4.143	0.002	1
138	1	14	LEU	HB2	H	1.433	0.002	2
139	1	14	LEU	HB3	H	1.586	0.004	2
140	1	14	LEU	HG	H	1.524	0.004	1
141	1	14	LEU	HD11	H	0.677	0.003	2
142	1	14	LEU	HD12	H	0.677	0.003	2
143	1	14	LEU	HD13	H	0.677	0.003	2
144	1	14	LEU	HD21	H	0.650	0.000	2
145	1	14	LEU	HD22	H	0.650	0.000	2
146	1	14	LEU	HD23	H	0.650	0.000	2
147	1	14	LEU	C	C	178.167	0.000	1
148	1	14	LEU	CA	C	57.552	0.043	1
149	1	14	LEU	CB	C	42.055	0.026	1
150	1	14	LEU	CG	C	26.627	0.000	1
151	1	14	LEU	CD1	C	23.894	0.025	1
152	1	14	LEU	CD2	C	25.570	0.063	1
153	1	14	LEU	N	N	120.392	0.000	1
154	1	15	SER	H	H	8.507	0.000	1
155	1	15	SER	HA	H	3.871	0.000	1
156	1	15	SER	HB2	H	4.032	0.000	2
157	1	15	SER	HB3	H	3.902	0.000	2
158	1	15	SER	C	C	175.964	0.000	1
159	1	15	SER	CA	C	63.029	0.094	1
160	1	15	SER	CB	C	62.817	0.006	1
161	1	15	SER	N	N	115.596	0.000	1
162	1	16	ARG	H	H	7.628	0.000	1
163	1	16	ARG	HA	H	4.001	0.005	1
164	1	16	ARG	HB2	H	1.869	0.005	2
165	1	16	ARG	HB3	H	1.869	0.005	2
166	1	16	ARG	HG2	H	1.790	0.004	2
167	1	16	ARG	HG3	H	1.616	0.003	2
168	1	16	ARG	HD2	H	3.191	0.001	2
169	1	16	ARG	HD3	H	3.142	0.001	2
170	1	16	ARG	C	C	178.581	0.000	1
171	1	16	ARG	CA	C	59.123	0.077	1
172	1	16	ARG	CB	C	30.229	0.064	1
173	1	16	ARG	CG	C	27.691	0.045	1
174	1	16	ARG	CD	C	43.313	0.042	1
175	1	16	ARG	N	N	119.036	0.000	1
176	1	17	LEU	H	H	7.646	0.000	1
177	1	17	LEU	HA	H	4.196	0.006	1
178	1	17	LEU	HB2	H	1.948	0.001	2
179	1	17	LEU	HB3	H	1.831	0.004	2
180	1	17	LEU	HG	H	1.702	0.002	1
181	1	17	LEU	HD11	H	0.999	0.000	2
182	1	17	LEU	HD12	H	0.999	0.000	2
183	1	17	LEU	HD13	H	0.999	0.000	2
184	1	17	LEU	HD21	H	0.907	0.001	2
185	1	17	LEU	HD22	H	0.907	0.001	2
186	1	17	LEU	HD23	H	0.907	0.001	2
187	1	17	LEU	C	C	179.701	0.000	1
188	1	17	LEU	CA	C	57.657	0.049	1
189	1	17	LEU	CB	C	42.658	0.023	1
190	1	17	LEU	CG	C	26.961	0.100	1
191	1	17	LEU	CD1	C	24.375	0.019	1
192	1	17	LEU	CD2	C	25.894	0.022	1
193	1	17	LEU	N	N	120.293	0.000	1
194	1	18	VAL	H	H	8.709	0.000	1
195	1	18	VAL	HA	H	3.487	0.002	1
196	1	18	VAL	HB	H	2.008	0.001	1
197	1	18	VAL	HG11	H	0.581	0.001	2
198	1	18	VAL	HG12	H	0.581	0.001	2
199	1	18	VAL	HG13	H	0.581	0.001	2
200	1	18	VAL	HG21	H	0.903	0.001	2
201	1	18	VAL	HG22	H	0.903	0.001	2
202	1	18	VAL	HG23	H	0.903	0.001	2
203	1	18	VAL	C	C	177.401	0.000	1
204	1	18	VAL	CA	C	66.865	0.043	1
205	1	18	VAL	CB	C	31.542	0.030	1
206	1	18	VAL	CG1	C	21.881	0.012	1
207	1	18	VAL	CG2	C	23.427	0.036	1
208	1	18	VAL	N	N	118.650	0.000	1
209	1	19	ALA	H	H	8.020	0.000	1
210	1	19	ALA	HA	H	3.791	0.001	1
211	1	19	ALA	HB1	H	1.437	0.001	1
212	1	19	ALA	HB2	H	1.437	0.001	1
213	1	19	ALA	HB3	H	1.437	0.001	1
214	1	19	ALA	C	C	179.355	0.000	1
215	1	19	ALA	CA	C	55.036	0.030	1
216	1	19	ALA	CB	C	18.228	0.040	1
217	1	19	ALA	N	N	119.910	0.000	1
218	1	20	GLY	H	H	7.270	0.000	1
219	1	20	GLY	HA2	H	3.684	0.003	2
220	1	20	GLY	HA3	H	3.901	0.004	2
221	1	20	GLY	C	C	174.319	0.000	1
222	1	20	GLY	CA	C	45.905	0.026	1
223	1	20	GLY	N	N	101.639	0.004	1
224	1	21	PHE	H	H	8.185	0.000	1
225	1	21	PHE	HA	H	4.552	0.002	1
226	1	21	PHE	HB2	H	2.771	0.002	2
227	1	21	PHE	HB3	H	3.301	0.002	2
228	1	21	PHE	HD1	H	7.440	0.007	1
229	1	21	PHE	HD2	H	7.440	0.007	1
230	1	21	PHE	HE1	H	7.187	0.000	1
231	1	21	PHE	HE2	H	7.187	0.000	1
232	1	21	PHE	HZ	H	7.234	0.000	1
233	1	21	PHE	C	C	174.730	0.000	1
234	1	21	PHE	CA	C	58.252	0.069	1
235	1	21	PHE	CB	C	40.889	0.027	1
236	1	21	PHE	CD1	C	132.453	0.000	1
237	1	21	PHE	CE1	C	129.276	0.000	1
238	1	21	PHE	N	N	117.033	0.000	1
239	1	22	VAL	H	H	7.066	0.000	1
240	1	22	VAL	HA	H	4.303	0.004	1
241	1	22	VAL	HB	H	2.255	0.002	1
242	1	22	VAL	HG11	H	0.950	0.002	2
243	1	22	VAL	HG12	H	0.950	0.002	2
244	1	22	VAL	HG13	H	0.950	0.002	2
245	1	22	VAL	HG21	H	1.050	0.002	2
246	1	22	VAL	HG22	H	1.050	0.002	2
247	1	22	VAL	HG23	H	1.050	0.002	2
248	1	22	VAL	CA	C	59.991	0.058	1
249	1	22	VAL	CB	C	32.137	0.017	1
250	1	22	VAL	CG1	C	20.611	0.013	1
251	1	22	VAL	CG2	C	21.853	0.024	1
252	1	22	VAL	N	N	117.822	0.000	1
253	1	23	PRO	HA	H	4.420	0.002	1
254	1	23	PRO	HB2	H	2.297	0.002	2
255	1	23	PRO	HB3	H	2.019	0.004	2
256	1	23	PRO	HG2	H	2.099	0.002	2
257	1	23	PRO	HG3	H	2.099	0.002	2
258	1	23	PRO	HD2	H	3.887	0.002	2
259	1	23	PRO	HD3	H	3.705	0.001	2
260	1	23	PRO	CA	C	63.824	0.046	1
261	1	23	PRO	CB	C	31.767	0.043	1
262	1	23	PRO	CG	C	27.693	0.028	1
263	1	23	PRO	CD	C	50.976	0.026	1
264	1	24	ASP	H	H	8.257	0.000	1
265	1	24	ASP	HA	H	4.444	0.002	1
266	1	24	ASP	HB2	H	2.671	0.000	2
267	1	24	ASP	HB3	H	2.671	0.000	2
268	1	24	ASP	C	C	176.965	0.000	1
269	1	24	ASP	CA	C	55.448	0.053	1
270	1	24	ASP	CB	C	41.095	0.026	1
271	1	24	ASP	N	N	119.869	0.000	1
272	1	25	ALA	H	H	8.346	0.000	1
273	1	25	ALA	HA	H	4.160	0.001	1
274	1	25	ALA	HB1	H	1.406	0.002	1
275	1	25	ALA	HB2	H	1.406	0.002	1
276	1	25	ALA	HB3	H	1.406	0.002	1
277	1	25	ALA	C	C	178.010	0.000	1
278	1	25	ALA	CA	C	53.588	0.033	1
279	1	25	ALA	CB	C	18.601	0.019	1
280	1	25	ALA	N	N	123.118	0.000	1
281	1	26	ALA	H	H	8.068	0.000	1
282	1	26	ALA	HA	H	4.279	0.002	1
283	1	26	ALA	HB1	H	1.423	0.000	1
284	1	26	ALA	HB2	H	1.423	0.000	1
285	1	26	ALA	HB3	H	1.423	0.000	1
286	1	26	ALA	C	C	178.640	0.000	1
287	1	26	ALA	CA	C	52.681	0.048	1
288	1	26	ALA	CB	C	18.797	0.030	1
289	1	26	ALA	N	N	120.416	0.000	1
290	1	27	GLY	H	H	8.019	0.000	1
291	1	27	GLY	HA2	H	3.748	0.002	2
292	1	27	GLY	HA3	H	4.011	0.006	2
293	1	27	GLY	C	C	173.551	0.000	1
294	1	27	GLY	CA	C	45.895	0.039	1
295	1	27	GLY	N	N	106.592	0.000	1
296	1	28	SER	H	H	7.884	0.000	1
297	1	28	SER	HA	H	4.436	0.002	1
298	1	28	SER	HB2	H	3.743	0.001	2
299	1	28	SER	HB3	H	3.821	0.001	2
300	1	28	SER	C	C	173.364	0.000	1
301	1	28	SER	CA	C	57.787	0.067	1
302	1	28	SER	CB	C	64.195	0.049	1
303	1	28	SER	N	N	114.640	0.000	1
304	1	29	VAL	H	H	8.222	0.000	1
305	1	29	VAL	HA	H	4.428	0.001	1
306	1	29	VAL	HB	H	1.858	0.001	1
307	1	29	VAL	HG11	H	0.813	0.002	2
308	1	29	VAL	HG12	H	0.813	0.002	2
309	1	29	VAL	HG13	H	0.813	0.002	2
310	1	29	VAL	HG21	H	0.635	0.001	2
311	1	29	VAL	HG22	H	0.635	0.001	2
312	1	29	VAL	HG23	H	0.635	0.001	2
313	1	29	VAL	C	C	175.510	0.000	1
314	1	29	VAL	CA	C	61.455	0.069	1
315	1	29	VAL	CB	C	32.756	0.039	1
316	1	29	VAL	CG1	C	21.229	0.035	1
317	1	29	VAL	CG2	C	21.123	0.016	1
318	1	29	VAL	N	N	121.452	0.000	1
319	1	30	ASP	H	H	8.396	0.000	1
320	1	30	ASP	HA	H	5.019	0.003	1
321	1	30	ASP	HB2	H	2.772	0.002	2
322	1	30	ASP	HB3	H	2.623	0.002	2
323	1	30	ASP	CA	C	51.173	0.023	1
324	1	30	ASP	CB	C	42.585	0.003	1
325	1	30	ASP	N	N	125.688	0.000	1
326	1	31	PRO	HA	H	4.328	0.001	1
327	1	31	PRO	HB2	H	2.218	0.002	2
328	1	31	PRO	HB3	H	2.042	0.002	2
329	1	31	PRO	HG2	H	1.992	0.003	2
330	1	31	PRO	HG3	H	1.915	0.004	2
331	1	31	PRO	HD2	H	3.970	0.001	2
332	1	31	PRO	HD3	H	3.868	0.001	2
333	1	31	PRO	C	C	174.989	0.000	1
334	1	31	PRO	CA	C	64.394	0.055	1
335	1	31	PRO	CB	C	32.438	0.034	1
336	1	31	PRO	CG	C	26.662	0.044	1
337	1	31	PRO	CD	C	51.137	0.057	1
338	1	32	ASP	H	H	8.552	0.000	1
339	1	32	ASP	HA	H	4.824	0.003	1
340	1	32	ASP	HB2	H	2.753	0.005	2
341	1	32	ASP	HB3	H	2.520	0.003	2
342	1	32	ASP	C	C	176.382	0.000	1
343	1	32	ASP	CA	C	54.326	0.131	1
344	1	32	ASP	CB	C	42.148	0.045	1
345	1	32	ASP	N	N	116.051	0.000	1
346	1	33	ARG	H	H	7.489	0.000	1
347	1	33	ARG	HA	H	4.732	0.002	1
348	1	33	ARG	HB2	H	1.535	0.001	2
349	1	33	ARG	HB3	H	1.369	0.000	2
350	1	33	ARG	HG2	H	1.458	0.006	2
351	1	33	ARG	HG3	H	1.395	0.002	2
352	1	33	ARG	HD2	H	2.868	0.001	2
353	1	33	ARG	HD3	H	2.782	0.001	2
354	1	33	ARG	HE	H	7.215	0.000	1
355	1	33	ARG	C	C	176.076	0.000	1
356	1	33	ARG	CA	C	54.661	0.091	1
357	1	33	ARG	CB	C	33.123	0.046	1
358	1	33	ARG	CG	C	27.124	0.035	1
359	1	33	ARG	CD	C	43.614	0.028	1
360	1	33	ARG	N	N	119.397	0.000	1
361	1	33	ARG	NE	N	84.369	0.001	1
362	1	34	THR	H	H	9.365	0.000	1
363	1	34	THR	HA	H	4.115	0.002	1
364	1	34	THR	HB	H	4.549	0.001	1
365	1	34	THR	HG21	H	1.147	0.001	1
366	1	34	THR	HG22	H	1.147	0.001	1
367	1	34	THR	HG23	H	1.147	0.001	1
368	1	34	THR	CA	C	61.221	0.046	1
369	1	34	THR	CB	C	70.845	0.059	1
370	1	34	THR	CG2	C	22.166	0.010	1
371	1	34	THR	N	N	115.467	0.000	1
372	1	35	LEU	H	H	8.172	0.000	1
373	1	35	LEU	HA	H	4.018	0.002	1
374	1	35	LEU	HB2	H	2.260	0.001	2
375	1	35	LEU	HB3	H	1.174	0.002	2
376	1	35	LEU	HG	H	1.983	0.003	1
377	1	35	LEU	HD11	H	0.634	0.001	2
378	1	35	LEU	HD12	H	0.634	0.001	2
379	1	35	LEU	HD13	H	0.634	0.001	2
380	1	35	LEU	HD21	H	0.538	0.003	2
381	1	35	LEU	HD22	H	0.538	0.003	2
382	1	35	LEU	HD23	H	0.538	0.003	2
383	1	35	LEU	C	C	180.069	0.000	1
384	1	35	LEU	CA	C	60.269	0.044	1
385	1	35	LEU	CB	C	38.736	0.012	1
386	1	35	LEU	CG	C	27.396	0.102	1
387	1	35	LEU	CD1	C	25.878	0.060	1
388	1	35	LEU	CD2	C	22.735	0.024	1
389	1	35	LEU	N	N	121.412	0.000	1
390	1	36	LEU	H	H	8.442	0.000	1
391	1	36	LEU	HA	H	4.206	0.004	1
392	1	36	LEU	HB2	H	1.781	0.000	2
393	1	36	LEU	HB3	H	1.574	0.001	2
394	1	36	LEU	HG	H	1.571	0.004	1
395	1	36	LEU	HD11	H	0.836	0.002	2
396	1	36	LEU	HD12	H	0.836	0.002	2
397	1	36	LEU	HD13	H	0.836	0.002	2
398	1	36	LEU	HD21	H	0.876	0.001	2
399	1	36	LEU	HD22	H	0.876	0.001	2
400	1	36	LEU	HD23	H	0.876	0.001	2
401	1	36	LEU	C	C	181.974	0.000	1
402	1	36	LEU	CA	C	58.698	0.062	1
403	1	36	LEU	CB	C	41.809	0.054	1
404	1	36	LEU	CG	C	26.937	0.054	1
405	1	36	LEU	CD1	C	24.821	0.032	1
406	1	36	LEU	CD2	C	24.435	0.033	1
407	1	36	LEU	N	N	120.006	0.000	1
408	1	37	GLU	H	H	7.854	0.000	1
409	1	37	GLU	HA	H	3.983	0.004	1
410	1	37	GLU	HB2	H	2.389	0.002	2
411	1	37	GLU	HB3	H	1.865	0.001	2
412	1	37	GLU	HG2	H	2.375	0.007	2
413	1	37	GLU	HG3	H	2.195	0.001	2
414	1	37	GLU	C	C	178.603	0.000	1
415	1	37	GLU	CA	C	58.610	0.058	1
416	1	37	GLU	CB	C	29.912	0.037	1
417	1	37	GLU	CG	C	37.943	0.019	1
418	1	37	GLU	N	N	120.780	0.000	1
419	1	38	HIS	H	H	7.977	0.000	1
420	1	38	HIS	HA	H	4.360	0.002	1
421	1	38	HIS	HB2	H	3.294	0.002	2
422	1	38	HIS	HB3	H	3.398	0.005	2
423	1	38	HIS	HD2	H	6.924	0.000	1
424	1	38	HIS	HE1	H	8.114	0.000	1
425	1	38	HIS	C	C	175.367	0.000	1
426	1	38	HIS	CA	C	59.381	0.050	1
427	1	38	HIS	CB	C	29.577	0.063	1
428	1	38	HIS	CE1	C	140.744	0.000	1
429	1	38	HIS	N	N	116.900	0.000	1
430	1	39	GLY	H	H	8.190	0.000	1
431	1	39	GLY	HA2	H	3.762	0.000	2
432	1	39	GLY	HA3	H	4.103	0.001	2
433	1	39	GLY	C	C	174.361	0.000	1
434	1	39	GLY	CA	C	45.531	0.030	1
435	1	39	GLY	N	N	106.366	0.000	1
436	1	40	ILE	H	H	6.921	0.000	1
437	1	40	ILE	HA	H	4.045	0.002	1
438	1	40	ILE	HB	H	1.484	0.001	1
439	1	40	ILE	HG12	H	1.129	0.004	2
440	1	40	ILE	HG13	H	1.624	0.002	2
441	1	40	ILE	HG21	H	0.856	0.002	1
442	1	40	ILE	HG22	H	0.856	0.002	1
443	1	40	ILE	HG23	H	0.856	0.002	1
444	1	40	ILE	HD11	H	0.694	0.001	1
445	1	40	ILE	HD12	H	0.694	0.001	1
446	1	40	ILE	HD13	H	0.694	0.001	1
447	1	40	ILE	C	C	174.314	0.000	1
448	1	40	ILE	CA	C	62.557	0.050	1
449	1	40	ILE	CB	C	37.751	0.030	1
450	1	40	ILE	CG1	C	28.141	0.031	1
451	1	40	ILE	CG2	C	17.532	0.036	1
452	1	40	ILE	CD1	C	13.801	0.022	1
453	1	40	ILE	N	N	119.754	0.000	1
454	1	41	ASP	H	H	8.244	0.000	1
455	1	41	ASP	HA	H	4.637	0.001	1
456	1	41	ASP	HB2	H	2.739	0.004	2
457	1	41	ASP	HB3	H	3.141	0.002	2
458	1	41	ASP	C	C	176.375	0.000	1
459	1	41	ASP	CA	C	52.804	0.085	1
460	1	41	ASP	CB	C	41.909	0.033	1
461	1	41	ASP	N	N	127.233	0.005	1
462	1	42	SER	H	H	8.803	0.000	1
463	1	42	SER	HA	H	4.044	0.002	1
464	1	42	SER	HB2	H	4.066	0.002	2
465	1	42	SER	HB3	H	4.151	0.003	2
466	1	42	SER	C	C	175.707	0.000	1
467	1	42	SER	CA	C	60.664	0.043	1
468	1	42	SER	CB	C	65.586	0.027	1
469	1	42	SER	N	N	113.200	0.000	1
470	1	43	ILE	H	H	7.710	0.000	1
471	1	43	ILE	HA	H	3.781	0.001	1
472	1	43	ILE	HB	H	1.966	0.001	1
473	1	43	ILE	HG12	H	1.200	0.002	2
474	1	43	ILE	HG13	H	1.583	0.002	2
475	1	43	ILE	HG21	H	0.865	0.001	1
476	1	43	ILE	HG22	H	0.865	0.001	1
477	1	43	ILE	HG23	H	0.865	0.001	1
478	1	43	ILE	HD11	H	0.860	0.002	1
479	1	43	ILE	HD12	H	0.860	0.002	1
480	1	43	ILE	HD13	H	0.860	0.002	1
481	1	43	ILE	C	C	178.228	0.000	1
482	1	43	ILE	CA	C	64.158	0.048	1
483	1	43	ILE	CB	C	37.457	0.022	1
484	1	43	ILE	CG1	C	28.986	0.018	1
485	1	43	ILE	CG2	C	17.210	0.031	1
486	1	43	ILE	CD1	C	12.648	0.032	1
487	1	43	ILE	N	N	123.257	0.000	1
488	1	44	ASN	H	H	8.454	0.000	1
489	1	44	ASN	HA	H	4.557	0.001	1
490	1	44	ASN	HB2	H	3.054	0.003	2
491	1	44	ASN	HB3	H	2.623	0.002	2
492	1	44	ASN	HD21	H	8.733	0.000	2
493	1	44	ASN	HD22	H	7.101	0.000	2
494	1	44	ASN	C	C	177.774	0.000	1
495	1	44	ASN	CA	C	56.604	0.053	1
496	1	44	ASN	CB	C	39.180	0.030	1
497	1	44	ASN	N	N	120.035	0.000	1
498	1	44	ASN	ND2	N	116.697	0.001	1
499	1	45	LEU	H	H	8.743	0.000	1
500	1	45	LEU	HA	H	3.753	0.004	1
501	1	45	LEU	HB2	H	1.681	0.001	2
502	1	45	LEU	HB3	H	1.393	0.001	2
503	1	45	LEU	HG	H	1.553	0.000	1
504	1	45	LEU	HD11	H	0.694	0.001	2
505	1	45	LEU	HD12	H	0.694	0.001	2
506	1	45	LEU	HD13	H	0.694	0.001	2
507	1	45	LEU	HD21	H	0.694	0.001	2
508	1	45	LEU	HD22	H	0.694	0.001	2
509	1	45	LEU	HD23	H	0.694	0.001	2
510	1	45	LEU	C	C	178.483	0.000	1
511	1	45	LEU	CA	C	58.026	0.055	1
512	1	45	LEU	CB	C	41.900	0.027	1
513	1	45	LEU	CD1	C	24.937	0.017	1
514	1	45	LEU	N	N	122.099	0.000	1
515	1	46	MET	H	H	7.598	0.000	1
516	1	46	MET	HA	H	4.041	0.002	1
517	1	46	MET	HB2	H	2.191	0.001	2
518	1	46	MET	HB3	H	2.191	0.001	2
519	1	46	MET	HG2	H	2.557	0.003	2
520	1	46	MET	HG3	H	2.624	0.004	2
521	1	46	MET	HE1	H	2.060	0.000	1
522	1	46	MET	HE2	H	2.060	0.000	1
523	1	46	MET	HE3	H	2.060	0.000	1
524	1	46	MET	C	C	178.948	0.000	1
525	1	46	MET	CA	C	58.043	0.056	1
526	1	46	MET	CB	C	31.422	0.046	1
527	1	46	MET	CG	C	32.625	0.044	1
528	1	46	MET	CE	C	17.120	0.000	1
529	1	46	MET	N	N	118.285	0.000	1
530	1	47	ASN	H	H	7.905	0.000	1
531	1	47	ASN	HA	H	4.665	0.003	1
532	1	47	ASN	HB2	H	2.946	0.001	2
533	1	47	ASN	HB3	H	3.105	0.003	2
534	1	47	ASN	HD21	H	7.608	0.000	2
535	1	47	ASN	HD22	H	7.041	0.000	2
536	1	47	ASN	C	C	177.739	0.000	1
537	1	47	ASN	CA	C	55.851	0.080	1
538	1	47	ASN	CB	C	37.869	0.024	1
539	1	47	ASN	N	N	120.098	0.000	1
540	1	47	ASN	ND2	N	112.134	0.000	1
541	1	48	LEU	H	H	8.252	0.000	1
542	1	48	LEU	HA	H	3.513	0.002	1
543	1	48	LEU	HB2	H	0.692	0.001	2
544	1	48	LEU	HB3	H	1.619	0.001	2
545	1	48	LEU	HG	H	1.246	0.001	1
546	1	48	LEU	HD11	H	0.694	0.001	2
547	1	48	LEU	HD12	H	0.694	0.001	2
548	1	48	LEU	HD13	H	0.694	0.001	2
549	1	48	LEU	HD21	H	0.630	0.002	2
550	1	48	LEU	HD22	H	0.630	0.002	2
551	1	48	LEU	HD23	H	0.630	0.002	2
552	1	48	LEU	C	C	177.456	0.000	1
553	1	48	LEU	CA	C	57.989	0.043	1
554	1	48	LEU	CB	C	40.212	0.030	1
555	1	48	LEU	CG	C	27.067	0.016	1
556	1	48	LEU	CD1	C	23.645	0.031	1
557	1	48	LEU	CD2	C	27.582	0.016	1
558	1	48	LEU	N	N	124.229	0.000	1
559	1	49	ARG	H	H	8.365	0.000	1
560	1	49	ARG	HA	H	3.663	0.005	1
561	1	49	ARG	HB2	H	1.584	0.002	2
562	1	49	ARG	HB3	H	2.138	0.005	2
563	1	49	ARG	HG2	H	1.492	0.004	2
564	1	49	ARG	HG3	H	1.838	0.002	2
565	1	49	ARG	HD2	H	2.942	0.001	2
566	1	49	ARG	HD3	H	3.180	0.003	2
567	1	49	ARG	HE	H	7.260	0.000	1
568	1	49	ARG	C	C	179.093	0.000	1
569	1	49	ARG	CA	C	60.058	0.034	1
570	1	49	ARG	CB	C	29.935	0.062	1
571	1	49	ARG	CG	C	27.372	0.027	1
572	1	49	ARG	CD	C	44.658	0.016	1
573	1	49	ARG	N	N	120.512	0.000	1
574	1	49	ARG	NE	N	84.922	0.000	1
575	1	50	PHE	H	H	7.873	0.000	1
576	1	50	PHE	HA	H	4.485	0.002	1
577	1	50	PHE	HB2	H	3.408	0.003	2
578	1	50	PHE	HB3	H	3.312	0.001	2
579	1	50	PHE	HD1	H	7.309	0.003	1
580	1	50	PHE	HD2	H	7.309	0.003	1
581	1	50	PHE	HE1	H	7.232	0.000	1
582	1	50	PHE	HE2	H	7.232	0.000	1
583	1	50	PHE	C	C	177.562	0.000	1
584	1	50	PHE	CA	C	61.123	0.044	1
585	1	50	PHE	CB	C	38.681	0.024	1
586	1	50	PHE	CD1	C	132.059	0.000	1
587	1	50	PHE	N	N	120.094	0.000	1
588	1	51	GLU	H	H	8.247	0.000	1
589	1	51	GLU	HA	H	4.070	0.003	1
590	1	51	GLU	HB2	H	2.253	0.005	2
591	1	51	GLU	HB3	H	2.178	0.005	2
592	1	51	GLU	HG2	H	2.657	0.003	2
593	1	51	GLU	HG3	H	2.543	0.003	2
594	1	51	GLU	C	C	179.606	0.000	1
595	1	51	GLU	CA	C	59.188	0.047	1
596	1	51	GLU	CB	C	29.778	0.056	1
597	1	51	GLU	CG	C	35.771	0.047	1
598	1	51	GLU	N	N	119.972	0.000	1
599	1	52	ILE	H	H	8.769	0.000	1
600	1	52	ILE	HA	H	3.835	0.002	1
601	1	52	ILE	HB	H	2.141	0.002	1
602	1	52	ILE	HG12	H	1.923	0.001	2
603	1	52	ILE	HG13	H	0.727	0.001	2
604	1	52	ILE	HG21	H	1.054	0.001	1
605	1	52	ILE	HG22	H	1.054	0.001	1
606	1	52	ILE	HG23	H	1.054	0.001	1
607	1	52	ILE	HD11	H	0.636	0.001	1
608	1	52	ILE	HD12	H	0.636	0.001	1
609	1	52	ILE	HD13	H	0.636	0.001	1
610	1	52	ILE	C	C	178.547	0.000	1
611	1	52	ILE	CA	C	66.191	0.035	1
612	1	52	ILE	CB	C	37.568	0.038	1
613	1	52	ILE	CG1	C	30.696	0.019	1
614	1	52	ILE	CG2	C	18.412	0.008	1
615	1	52	ILE	CD1	C	14.574	0.019	1
616	1	52	ILE	N	N	120.158	0.000	1
617	1	53	THR	H	H	8.123	0.000	1
618	1	53	THR	HA	H	3.648	0.003	1
619	1	53	THR	HB	H	4.282	0.002	1
620	1	53	THR	HG21	H	0.994	0.001	1
621	1	53	THR	HG22	H	0.994	0.001	1
622	1	53	THR	HG23	H	0.994	0.001	1
623	1	53	THR	C	C	177.364	0.000	1
624	1	53	THR	CA	C	67.691	0.061	1
625	1	53	THR	CB	C	68.370	0.025	1
626	1	53	THR	CG2	C	22.069	0.031	1
627	1	53	THR	N	N	120.659	0.000	1
628	1	54	GLU	H	H	7.936	0.000	1
629	1	54	GLU	HA	H	3.774	0.002	1
630	1	54	GLU	HB2	H	1.871	0.001	2
631	1	54	GLU	HB3	H	1.871	0.001	2
632	1	54	GLU	HG2	H	1.780	0.001	2
633	1	54	GLU	HG3	H	1.874	0.002	2
634	1	54	GLU	C	C	178.269	0.000	1
635	1	54	GLU	CA	C	59.251	0.051	1
636	1	54	GLU	CB	C	30.096	0.040	1
637	1	54	GLU	CG	C	36.249	0.041	1
638	1	54	GLU	N	N	120.686	0.000	1
639	1	55	ARG	H	H	8.430	0.000	1
640	1	55	ARG	HA	H	3.993	0.002	1
641	1	55	ARG	HB2	H	1.413	0.001	2
642	1	55	ARG	HB3	H	1.143	0.002	2
643	1	55	ARG	HG2	H	1.338	0.002	2
644	1	55	ARG	HG3	H	1.338	0.002	2
645	1	55	ARG	HD2	H	3.043	0.003	2
646	1	55	ARG	HD3	H	2.804	0.002	2
647	1	55	ARG	HE	H	7.738	0.001	1
648	1	55	ARG	C	C	177.718	0.000	1
649	1	55	ARG	CA	C	57.626	0.036	1
650	1	55	ARG	CB	C	30.936	0.032	1
651	1	55	ARG	CG	C	27.601	0.030	1
652	1	55	ARG	CD	C	42.959	0.027	1
653	1	55	ARG	N	N	115.783	0.000	1
654	1	55	ARG	NE	N	84.811	0.001	1
655	1	56	PHE	H	H	8.687	0.000	1
656	1	56	PHE	HA	H	4.778	0.004	1
657	1	56	PHE	HB2	H	2.929	0.003	2
658	1	56	PHE	HB3	H	3.345	0.001	2
659	1	56	PHE	HD1	H	7.399	0.000	1
660	1	56	PHE	HD2	H	7.399	0.000	1
661	1	56	PHE	HE1	H	7.134	0.002	1
662	1	56	PHE	HE2	H	7.134	0.002	1
663	1	56	PHE	HZ	H	6.936	0.001	1
664	1	56	PHE	C	C	176.765	0.000	1
665	1	56	PHE	CA	C	57.580	0.105	1
666	1	56	PHE	CB	C	40.382	0.030	1
667	1	56	PHE	CD1	C	132.421	0.000	1
668	1	56	PHE	CE1	C	130.801	0.000	1
669	1	56	PHE	CZ	C	128.871	0.000	1
670	1	56	PHE	N	N	113.221	0.000	1
671	1	57	GLY	H	H	7.779	0.000	1
672	1	57	GLY	HA2	H	4.015	0.003	2
673	1	57	GLY	HA3	H	4.015	0.003	2
674	1	57	GLY	C	C	173.628	0.000	1
675	1	57	GLY	CA	C	46.616	0.050	1
676	1	57	GLY	N	N	108.686	0.000	1
677	1	58	ARG	H	H	6.638	0.000	1
678	1	58	ARG	HA	H	4.667	0.001	1
679	1	58	ARG	HB2	H	1.511	0.008	2
680	1	58	ARG	HB3	H	1.362	0.001	2
681	1	58	ARG	HG2	H	1.569	0.002	2
682	1	58	ARG	HG3	H	1.488	0.002	2
683	1	58	ARG	HD2	H	3.185	0.002	2
684	1	58	ARG	HD3	H	3.130	0.004	2
685	1	58	ARG	C	C	174.141	0.000	1
686	1	58	ARG	CA	C	53.510	0.117	1
687	1	58	ARG	CB	C	33.330	0.036	1
688	1	58	ARG	CG	C	26.470	0.048	1
689	1	58	ARG	CD	C	42.705	0.066	1
690	1	58	ARG	N	N	116.117	0.000	1
691	1	59	THR	H	H	8.917	0.000	1
692	1	59	THR	HA	H	4.573	0.003	1
693	1	59	THR	HB	H	3.877	0.001	1
694	1	59	THR	HG21	H	0.983	0.001	1
695	1	59	THR	HG22	H	0.983	0.001	1
696	1	59	THR	HG23	H	0.983	0.001	1
697	1	59	THR	C	C	173.885	0.000	1
698	1	59	THR	CA	C	61.224	0.042	1
699	1	59	THR	CB	C	68.987	0.150	1
700	1	59	THR	CG2	C	21.718	0.042	1
701	1	59	THR	N	N	121.653	0.000	1
702	1	60	LEU	H	H	8.731	0.000	1
703	1	60	LEU	HA	H	4.725	0.003	1
704	1	60	LEU	HB2	H	1.421	0.003	2
705	1	60	LEU	HB3	H	1.152	0.004	2
706	1	60	LEU	HG	H	1.457	0.000	1
707	1	60	LEU	HD11	H	0.665	0.003	2
708	1	60	LEU	HD12	H	0.665	0.003	2
709	1	60	LEU	HD13	H	0.665	0.003	2
710	1	60	LEU	HD21	H	0.622	0.001	2
711	1	60	LEU	HD22	H	0.622	0.001	2
712	1	60	LEU	HD23	H	0.622	0.001	2
713	1	60	LEU	CA	C	51.380	0.101	1
714	1	60	LEU	CB	C	42.199	0.024	1
715	1	60	LEU	CG	C	27.189	0.107	1
716	1	60	LEU	CD1	C	25.792	0.070	1
717	1	60	LEU	CD2	C	22.923	0.032	1
718	1	60	LEU	N	N	130.674	0.000	1
719	1	61	PRO	HA	H	4.434	0.000	1
720	1	61	PRO	HB2	H	1.775	0.002	2
721	1	61	PRO	HB3	H	2.393	0.002	2
722	1	61	PRO	HG2	H	2.056	0.002	2
723	1	61	PRO	HG3	H	1.979	0.000	2
724	1	61	PRO	HD2	H	3.320	0.001	2
725	1	61	PRO	HD3	H	3.871	0.001	2
726	1	61	PRO	C	C	177.295	0.000	1
727	1	61	PRO	CA	C	62.080	0.007	1
728	1	61	PRO	CB	C	32.223	0.028	1
729	1	61	PRO	CG	C	27.658	0.041	1
730	1	61	PRO	CD	C	50.506	0.026	1
731	1	62	LEU	H	H	8.712	0.000	1
732	1	62	LEU	HA	H	3.737	0.003	1
733	1	62	LEU	HB2	H	1.542	0.002	2
734	1	62	LEU	HB3	H	1.542	0.002	2
735	1	62	LEU	HG	H	1.592	0.002	1
736	1	62	LEU	HD11	H	0.855	0.001	2
737	1	62	LEU	HD12	H	0.855	0.001	2
738	1	62	LEU	HD13	H	0.855	0.001	2
739	1	62	LEU	HD21	H	0.779	0.001	2
740	1	62	LEU	HD22	H	0.779	0.001	2
741	1	62	LEU	HD23	H	0.779	0.001	2
742	1	62	LEU	C	C	178.978	0.000	1
743	1	62	LEU	CA	C	58.418	0.045	1
744	1	62	LEU	CB	C	41.754	0.045	1
745	1	62	LEU	CG	C	27.150	0.014	1
746	1	62	LEU	CD1	C	25.117	0.050	1
747	1	62	LEU	CD2	C	24.309	0.036	1
748	1	62	LEU	N	N	124.157	0.000	1
749	1	63	GLN	H	H	8.878	0.000	1
750	1	63	GLN	HA	H	3.834	0.002	1
751	1	63	GLN	HB2	H	2.015	0.002	2
752	1	63	GLN	HB3	H	1.808	0.001	2
753	1	63	GLN	HG2	H	2.277	0.001	2
754	1	63	GLN	HG3	H	2.277	0.001	2
755	1	63	GLN	HE21	H	7.793	0.000	2
756	1	63	GLN	HE22	H	6.773	0.000	2
757	1	63	GLN	C	C	177.346	0.000	1
758	1	63	GLN	CA	C	59.033	0.034	1
759	1	63	GLN	CB	C	27.588	0.038	1
760	1	63	GLN	CG	C	33.106	0.014	1
761	1	63	GLN	N	N	117.127	0.000	1
762	1	63	GLN	NE2	N	112.978	0.001	1
763	1	64	LEU	H	H	6.408	0.000	1
764	1	64	LEU	HA	H	4.011	0.002	1
765	1	64	LEU	HB2	H	1.568	0.000	2
766	1	64	LEU	HB3	H	1.486	0.000	2
767	1	64	LEU	HG	H	1.188	0.003	1
768	1	64	LEU	HD11	H	0.582	0.001	2
769	1	64	LEU	HD12	H	0.582	0.001	2
770	1	64	LEU	HD13	H	0.582	0.001	2
771	1	64	LEU	HD21	H	0.344	0.001	2
772	1	64	LEU	HD22	H	0.344	0.001	2
773	1	64	LEU	HD23	H	0.344	0.001	2
774	1	64	LEU	C	C	179.382	0.000	1
775	1	64	LEU	CA	C	57.403	0.051	1
776	1	64	LEU	CB	C	42.266	0.035	1
777	1	64	LEU	CG	C	26.743	0.033	1
778	1	64	LEU	CD1	C	23.691	0.027	1
779	1	64	LEU	CD2	C	25.471	0.046	1
780	1	64	LEU	N	N	118.179	0.003	1
781	1	65	LEU	H	H	7.586	0.000	1
782	1	65	LEU	HA	H	3.747	0.004	1
783	1	65	LEU	HB2	H	1.331	0.001	2
784	1	65	LEU	HB3	H	1.794	0.001	2
785	1	65	LEU	HG	H	1.495	0.002	1
786	1	65	LEU	HD11	H	0.661	0.001	2
787	1	65	LEU	HD12	H	0.661	0.001	2
788	1	65	LEU	HD13	H	0.661	0.001	2
789	1	65	LEU	HD21	H	0.627	0.001	2
790	1	65	LEU	HD22	H	0.627	0.001	2
791	1	65	LEU	HD23	H	0.627	0.001	2
792	1	65	LEU	C	C	176.749	0.000	1
793	1	65	LEU	CA	C	58.439	0.025	1
794	1	65	LEU	CB	C	42.407	0.011	1
795	1	65	LEU	CG	C	26.649	0.087	1
796	1	65	LEU	CD1	C	25.832	0.017	1
797	1	65	LEU	CD2	C	25.560	0.010	1
798	1	65	LEU	N	N	118.291	0.000	1
799	1	66	SER	H	H	7.830	0.000	1
800	1	66	SER	HA	H	3.799	0.009	1
801	1	66	SER	HB2	H	3.850	0.001	2
802	1	66	SER	HB3	H	3.850	0.001	2
803	1	66	SER	C	C	174.806	0.000	1
804	1	66	SER	CA	C	61.774	0.050	1
805	1	66	SER	CB	C	63.641	0.038	1
806	1	66	SER	N	N	108.592	0.000	1
807	1	67	GLU	H	H	7.173	0.000	1
808	1	67	GLU	HA	H	4.470	0.003	1
809	1	67	GLU	HB2	H	2.159	0.003	2
810	1	67	GLU	HB3	H	2.017	0.001	2
811	1	67	GLU	HG2	H	2.359	0.001	2
812	1	67	GLU	HG3	H	2.433	0.003	2
813	1	67	GLU	C	C	176.042	0.000	1
814	1	67	GLU	CA	C	55.710	0.050	1
815	1	67	GLU	CB	C	30.113	0.030	1
816	1	67	GLU	CG	C	35.921	0.028	1
817	1	67	GLU	N	N	113.240	0.000	1
818	1	68	SER	H	H	7.273	0.000	1
819	1	68	SER	HA	H	4.980	0.003	1
820	1	68	SER	HB2	H	3.646	0.001	2
821	1	68	SER	HB3	H	3.844	0.003	2
822	1	68	SER	HG	H	5.678	0.003	1
823	1	68	SER	C	C	172.904	0.000	1
824	1	68	SER	CA	C	58.976	0.063	1
825	1	68	SER	CB	C	65.861	0.023	1
826	1	68	SER	N	N	115.077	0.000	1
827	1	69	THR	H	H	7.060	0.000	1
828	1	69	THR	HA	H	4.479	0.001	1
829	1	69	THR	HB	H	4.633	0.002	1
830	1	69	THR	HG1	H	5.350	0.002	1
831	1	69	THR	HG21	H	0.953	0.001	1
832	1	69	THR	HG22	H	0.953	0.001	1
833	1	69	THR	HG23	H	0.953	0.001	1
834	1	69	THR	C	C	175.271	0.000	1
835	1	69	THR	CA	C	59.397	0.051	1
836	1	69	THR	CB	C	70.466	0.077	1
837	1	69	THR	CG2	C	21.389	0.040	1
838	1	69	THR	N	N	110.457	0.000	1
839	1	70	VAL	H	H	9.769	0.000	1
840	1	70	VAL	HA	H	3.615	0.001	1
841	1	70	VAL	HB	H	2.079	0.002	1
842	1	70	VAL	HG11	H	0.835	0.001	2
843	1	70	VAL	HG12	H	0.835	0.001	2
844	1	70	VAL	HG13	H	0.835	0.001	2
845	1	70	VAL	HG21	H	0.916	0.001	2
846	1	70	VAL	HG22	H	0.916	0.001	2
847	1	70	VAL	HG23	H	0.916	0.001	2
848	1	70	VAL	CA	C	69.501	0.031	1
849	1	70	VAL	CB	C	29.393	0.041	1
850	1	70	VAL	CG1	C	21.841	0.018	1
851	1	70	VAL	CG2	C	24.847	0.018	1
852	1	70	VAL	N	N	120.213	0.000	1
853	1	71	PRO	HA	H	4.154	0.002	1
854	1	71	PRO	HB2	H	1.745	0.003	2
855	1	71	PRO	HB3	H	2.307	0.002	2
856	1	71	PRO	HG2	H	2.223	0.001	2
857	1	71	PRO	HG3	H	1.877	0.001	2
858	1	71	PRO	HD2	H	4.032	0.001	2
859	1	71	PRO	HD3	H	3.601	0.001	2
860	1	71	PRO	C	C	179.774	0.000	1
861	1	71	PRO	CA	C	66.301	0.014	1
862	1	71	PRO	CB	C	31.160	0.057	1
863	1	71	PRO	CG	C	28.749	0.044	1
864	1	71	PRO	CD	C	49.670	0.013	1
865	1	72	VAL	H	H	7.038	0.000	1
866	1	72	VAL	HA	H	3.646	0.002	1
867	1	72	VAL	HB	H	2.111	0.002	1
868	1	72	VAL	HG11	H	0.984	0.002	2
869	1	72	VAL	HG12	H	0.984	0.002	2
870	1	72	VAL	HG13	H	0.984	0.002	2
871	1	72	VAL	HG21	H	1.000	0.001	2
872	1	72	VAL	HG22	H	1.000	0.001	2
873	1	72	VAL	HG23	H	1.000	0.001	2
874	1	72	VAL	C	C	178.624	0.000	1
875	1	72	VAL	CA	C	66.324	0.029	1
876	1	72	VAL	CB	C	32.176	0.054	1
877	1	72	VAL	CG1	C	20.918	0.039	1
878	1	72	VAL	CG2	C	23.606	0.021	1
879	1	72	VAL	N	N	119.293	0.000	1
880	1	73	LEU	H	H	8.441	0.000	1
881	1	73	LEU	HA	H	3.914	0.002	1
882	1	73	LEU	HB2	H	1.836	0.003	2
883	1	73	LEU	HB3	H	1.177	0.002	2
884	1	73	LEU	HG	H	1.689	0.006	1
885	1	73	LEU	HD11	H	0.697	0.001	2
886	1	73	LEU	HD12	H	0.697	0.001	2
887	1	73	LEU	HD13	H	0.697	0.001	2
888	1	73	LEU	HD21	H	0.644	0.001	2
889	1	73	LEU	HD22	H	0.644	0.001	2
890	1	73	LEU	HD23	H	0.644	0.001	2
891	1	73	LEU	C	C	178.672	0.000	1
892	1	73	LEU	CA	C	57.783	0.047	1
893	1	73	LEU	CB	C	42.380	0.053	1
894	1	73	LEU	CG	C	26.248	0.112	1
895	1	73	LEU	CD1	C	24.753	0.025	1
896	1	73	LEU	CD2	C	23.558	0.045	1
897	1	73	LEU	N	N	121.851	0.000	1
898	1	74	ALA	H	H	8.779	0.000	1
899	1	74	ALA	HA	H	3.543	0.003	1
900	1	74	ALA	HB1	H	1.270	0.001	1
901	1	74	ALA	HB2	H	1.270	0.001	1
902	1	74	ALA	HB3	H	1.270	0.001	1
903	1	74	ALA	C	C	179.776	0.000	1
904	1	74	ALA	CA	C	55.097	0.026	1
905	1	74	ALA	CB	C	18.720	0.024	1
906	1	74	ALA	N	N	120.159	0.000	1
907	1	75	ALA	H	H	7.528	0.000	1
908	1	75	ALA	HA	H	4.025	0.001	1
909	1	75	ALA	HB1	H	1.399	0.001	1
910	1	75	ALA	HB2	H	1.399	0.001	1
911	1	75	ALA	HB3	H	1.399	0.001	1
912	1	75	ALA	C	C	180.621	0.000	1
913	1	75	ALA	CA	C	54.856	0.049	1
914	1	75	ALA	CB	C	17.516	0.026	1
915	1	75	ALA	N	N	121.117	0.000	1
916	1	76	HIS	H	H	7.825	0.000	1
917	1	76	HIS	HA	H	4.250	0.003	1
918	1	76	HIS	HB2	H	3.186	0.001	2
919	1	76	HIS	HB3	H	2.988	0.002	2
920	1	76	HIS	HD2	H	6.773	0.000	1
921	1	76	HIS	HE1	H	7.664	0.001	1
922	1	76	HIS	C	C	178.021	0.000	1
923	1	76	HIS	CA	C	59.584	0.038	1
924	1	76	HIS	CB	C	30.491	0.042	1
925	1	76	HIS	CD2	C	119.556	0.000	1
926	1	76	HIS	CE1	C	139.005	0.000	1
927	1	76	HIS	N	N	117.988	0.000	1
928	1	76	HIS	ND1	N	224.413	0.000	1
929	1	76	HIS	NE2	N	184.204	0.008	1
930	1	77	LEU	H	H	7.892	0.000	1
931	1	77	LEU	HA	H	4.057	0.003	1
932	1	77	LEU	HB2	H	1.540	0.001	2
933	1	77	LEU	HB3	H	1.168	0.002	2
934	1	77	LEU	HG	H	1.607	0.003	1
935	1	77	LEU	HD11	H	0.100	0.000	2
936	1	77	LEU	HD12	H	0.100	0.000	2
937	1	77	LEU	HD13	H	0.100	0.000	2
938	1	77	LEU	HD21	H	0.518	0.002	2
939	1	77	LEU	HD22	H	0.518	0.002	2
940	1	77	LEU	HD23	H	0.518	0.002	2
941	1	77	LEU	C	C	177.208	0.000	1
942	1	77	LEU	CA	C	55.939	0.038	1
943	1	77	LEU	CB	C	42.065	0.065	1
944	1	77	LEU	CG	C	26.146	0.085	1
945	1	77	LEU	CD1	C	25.378	0.113	1
946	1	77	LEU	CD2	C	22.937	0.040	1
947	1	77	LEU	N	N	117.346	0.009	1
948	1	78	SER	H	H	7.652	0.000	1
949	1	78	SER	HA	H	4.394	0.002	1
950	1	78	SER	HB2	H	3.920	0.001	2
951	1	78	SER	HB3	H	3.803	0.000	2
952	1	78	SER	C	C	174.227	0.000	1
953	1	78	SER	CA	C	58.929	0.176	1
954	1	78	SER	CB	C	63.970	0.080	1
955	1	78	SER	N	N	113.198	0.000	1
956	1	79	ALA	H	H	7.642	0.000	1
957	1	79	ALA	HA	H	4.246	0.001	1
958	1	79	ALA	HB1	H	1.380	0.001	1
959	1	79	ALA	HB2	H	1.380	0.001	1
960	1	79	ALA	HB3	H	1.380	0.001	1
961	1	79	ALA	C	C	177.461	0.000	1
962	1	79	ALA	CA	C	52.867	0.054	1
963	1	79	ALA	CB	C	19.187	0.022	1
964	1	79	ALA	N	N	125.033	0.000	1
965	1	80	ASP	H	H	8.337	0.000	1
966	1	80	ASP	HA	H	4.504	0.006	1
967	1	80	ASP	HB2	H	2.650	0.002	2
968	1	80	ASP	HB3	H	2.574	0.002	2
969	1	80	ASP	C	C	176.064	0.000	1
970	1	80	ASP	CA	C	54.432	0.063	1
971	1	80	ASP	CB	C	40.900	0.039	1
972	1	80	ASP	N	N	119.195	0.000	1
973	1	81	ARG	H	H	8.060	0.000	1
974	1	81	ARG	HA	H	4.282	0.002	1
975	1	81	ARG	HB2	H	1.808	0.002	2
976	1	81	ARG	HB3	H	1.677	0.002	2
977	1	81	ARG	HG2	H	1.537	0.002	2
978	1	81	ARG	HG3	H	1.537	0.002	2
979	1	81	ARG	HD2	H	3.101	0.001	2
980	1	81	ARG	HD3	H	3.101	0.001	2
981	1	81	ARG	C	C	175.705	0.000	1
982	1	81	ARG	CA	C	55.613	0.039	1
983	1	81	ARG	CB	C	30.923	0.031	1
984	1	81	ARG	CG	C	26.883	0.028	1
985	1	81	ARG	CD	C	43.291	0.023	1
986	1	81	ARG	N	N	120.635	0.000	1
987	1	82	ALA	H	H	8.292	0.000	1
988	1	82	ALA	HA	H	4.229	0.002	1
989	1	82	ALA	HB1	H	1.297	0.000	1
990	1	82	ALA	HB2	H	1.297	0.000	1
991	1	82	ALA	HB3	H	1.297	0.000	1
992	1	82	ALA	C	C	176.693	0.000	1
993	1	82	ALA	CA	C	52.537	0.045	1
994	1	82	ALA	CB	C	19.177	0.036	1
995	1	82	ALA	N	N	125.433	0.000	1
996	1	83	HIS	H	H	7.877	0.000	1
997	1	83	HIS	HA	H	4.377	0.002	1
998	1	83	HIS	HB2	H	3.152	0.001	2
999	1	83	HIS	HB3	H	3.008	0.002	2
1000	1	83	HIS	HD2	H	7.086	0.000	1
1001	1	83	HIS	HE1	H	8.212	0.000	1
1002	1	83	HIS	CA	C	57.064	0.058	1
1003	1	83	HIS	CB	C	30.386	0.117	1
1004	1	83	HIS	CD2	C	120.054	0.000	1
1005	1	83	HIS	CE1	C	136.721	0.000	1
1006	1	83	HIS	N	N	123.078	0.000	1
1007	1	83	HIS	ND1	N	190.305	0.007	1
1008	1	83	HIS	NE2	N	180.024	0.012	1
1009	2	1	PNS	C28	C	74.004	0.004	1
1010	2	1	PNS	H281	H	3.295	0.002	2
1011	2	1	PNS	H282	H	3.742	0.002	2
1012	2	1	PNS	H301	H	0.906	0.001	2
1013	2	1	PNS	H302	H	0.906	0.001	2
1014	2	1	PNS	H303	H	0.906	0.001	2
1015	2	1	PNS	C31	C	23.381	0.000	1
1016	2	1	PNS	H311	H	0.802	0.001	2
1017	2	1	PNS	H312	H	0.802	0.001	2
1018	2	1	PNS	H313	H	0.802	0.001	2
1019	2	1	PNS	C32	C	76.701	0.000	1
1020	2	1	PNS	H32	H	3.968	0.002	1
1021	2	1	PNS	N36	N	120.185	0.019	1
1022	2	1	PNS	H36	H	8.026	0.001	1
1023	2	1	PNS	C37	C	38.291	0.000	1
1024	2	1	PNS	H371	H	3.448	0.003	2
1025	2	1	PNS	H372	H	3.448	0.003	2
1026	2	1	PNS	C38	C	38.065	0.000	1
1027	2	1	PNS	H381	H	2.457	0.018	2
1028	2	1	PNS	H382	H	2.457	0.018	2
1029	2	1	PNS	N41	N	124.662	0.022	1
1030	2	1	PNS	H41	H	8.202	0.001	1
1031	2	1	PNS	C42	C	45.089	0.026	1
1032	2	1	PNS	H421	H	3.300	0.003	2
1033	2	1	PNS	H422	H	3.300	0.003	2
1034	2	1	PNS	C43	C	25.986	0.030	1
1035	2	1	PNS	H431	H	2.586	0.002	2
1036	2	1	PNS	H432	H	2.586	0.002	2

Release date

2022-09-06

Citation

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