BMRB: 34469

Solution Structure of Docking Domain Complex of Pax NRPS: PaxC NDD - PaxB CDD

Authors

Watzel, J., Hacker, C., Duchardt-Ferner, E., Bode, H.B., Woehnert, J.

Assembly

Peptide synthetase XpsB (E.C.2.7.7.58,5.1.1.12)

Entity

1. Peptide synthetase XpsB (E.C.2.7.7.58,5.1.1.12) (polymer, Thiol state: not present), 93 monomers, 9833.558 Da Detail

MNINEQTLDK LRQAVLQKKI KERIQNSLST EKYGSGSGSG SGSGSGSGSG SGSGSGSGYQ IETFFAQDIE SVQKELENLS EEELLAMLNG DQQ

Formula weight

9833.558 Da

Source organism

Xenorhabdus bovienii SS-2004

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 502, ¹³C: 292, ¹⁵N: 78 assignments Detail

Download

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	MET	HA	H	4.083	0.020	1
2	1	1	MET	HB2	H	2.135	0.020	2
3	1	1	MET	HB3	H	2.135	0.020	2
4	1	1	MET	HG2	H	2.564	0.020	2
5	1	1	MET	HG3	H	2.564	0.020	2
6	1	1	MET	CA	C	55.079	0.400	1
7	1	1	MET	CB	C	33.407	0.400	1
8	1	1	MET	CG	C	30.760	0.400	1
9	1	2	ASN	HA	H	4.845	0.020	1
10	1	2	ASN	HB2	H	2.869	0.020	2
11	1	2	ASN	HB3	H	2.830	0.020	2
12	1	2	ASN	HD21	H	7.727	0.020	2
13	1	2	ASN	HD22	H	7.034	0.020	2
14	1	2	ASN	CA	C	52.829	0.400	1
15	1	2	ASN	CB	C	38.929	0.400	1
16	1	2	ASN	ND2	N	113.521	0.400	1
17	1	3	ILE	H	H	8.494	0.020	1
18	1	3	ILE	HA	H	4.122	0.020	1
19	1	3	ILE	HB	H	1.887	0.020	1
20	1	3	ILE	HG12	H	1.232	0.020	2
21	1	3	ILE	HG13	H	1.461	0.020	2
22	1	3	ILE	HG21	H	0.910	0.020	1
23	1	3	ILE	HG22	H	0.910	0.020	1
24	1	3	ILE	HG23	H	0.910	0.020	1
25	1	3	ILE	HD11	H	0.865	0.020	1
26	1	3	ILE	HD12	H	0.865	0.020	1
27	1	3	ILE	HD13	H	0.865	0.020	1
28	1	3	ILE	C	C	176.168	0.400	1
29	1	3	ILE	CA	C	61.953	0.400	1
30	1	3	ILE	CB	C	38.497	0.400	1
31	1	3	ILE	CG1	C	27.528	0.400	1
32	1	3	ILE	CG2	C	17.504	0.400	1
33	1	3	ILE	CD1	C	13.143	0.400	1
34	1	3	ILE	N	N	122.072	0.400	1
35	1	4	ASN	H	H	8.516	0.020	1
36	1	4	ASN	HA	H	4.682	0.020	1
37	1	4	ASN	HB2	H	2.874	0.020	2
38	1	4	ASN	HB3	H	2.874	0.020	2
39	1	4	ASN	HD21	H	7.732	0.020	2
40	1	4	ASN	HD22	H	7.004	0.020	2
41	1	4	ASN	C	C	175.802	0.400	1
42	1	4	ASN	CA	C	53.900	0.400	1
43	1	4	ASN	CB	C	38.586	0.400	1
44	1	4	ASN	N	N	121.656	0.400	1
45	1	4	ASN	ND2	N	113.349	0.400	1
46	1	5	GLU	H	H	8.356	0.020	1
47	1	5	GLU	HA	H	4.171	0.020	1
48	1	5	GLU	HB2	H	2.089	0.020	2
49	1	5	GLU	HB3	H	2.048	0.020	2
50	1	5	GLU	HG2	H	2.322	0.020	2
51	1	5	GLU	HG3	H	2.322	0.020	2
52	1	5	GLU	C	C	177.370	0.400	1
53	1	5	GLU	CA	C	57.851	0.400	1
54	1	5	GLU	CB	C	29.890	0.400	1
55	1	5	GLU	CG	C	36.320	0.400	1
56	1	5	GLU	N	N	121.155	0.400	1
57	1	6	GLN	H	H	8.381	0.020	1
58	1	6	GLN	HA	H	4.346	0.020	1
59	1	6	GLN	HB2	H	2.133	0.020	2
60	1	6	GLN	HB3	H	2.100	0.020	2
61	1	6	GLN	HG2	H	2.404	0.020	2
62	1	6	GLN	HG3	H	2.404	0.020	2
63	1	6	GLN	HE21	H	7.565	0.020	2
64	1	6	GLN	HE22	H	6.918	0.020	2
65	1	6	GLN	C	C	177.436	0.400	1
66	1	6	GLN	CA	C	57.326	0.400	1
67	1	6	GLN	CB	C	29.022	0.400	1
68	1	6	GLN	CG	C	34.115	0.400	1
69	1	6	GLN	N	N	120.087	0.400	1
70	1	6	GLN	NE2	N	112.177	0.400	1
71	1	7	THR	H	H	8.011	0.020	1
72	1	7	THR	HA	H	4.126	0.020	1
73	1	7	THR	HB	H	4.380	0.020	1
74	1	7	THR	HG21	H	1.247	0.020	1
75	1	7	THR	HG22	H	1.247	0.020	1
76	1	7	THR	HG23	H	1.247	0.020	1
77	1	7	THR	C	C	175.997	0.400	1
78	1	7	THR	CA	C	64.081	0.400	1
79	1	7	THR	CB	C	69.335	0.400	1
80	1	7	THR	CG2	C	21.881	0.400	1
81	1	7	THR	N	N	115.591	0.400	1
82	1	8	LEU	H	H	8.387	0.020	1
83	1	8	LEU	HA	H	4.082	0.020	1
84	1	8	LEU	HB2	H	1.763	0.020	2
85	1	8	LEU	HB3	H	1.630	0.020	2
86	1	8	LEU	HG	H	1.646	0.020	1
87	1	8	LEU	HD11	H	0.905	0.020	2
88	1	8	LEU	HD12	H	0.905	0.020	2
89	1	8	LEU	HD13	H	0.905	0.020	2
90	1	8	LEU	HD21	H	0.950	0.020	2
91	1	8	LEU	HD22	H	0.950	0.020	2
92	1	8	LEU	HD23	H	0.950	0.020	2
93	1	8	LEU	C	C	178.344	0.400	1
94	1	8	LEU	CA	C	57.936	0.400	1
95	1	8	LEU	CB	C	41.491	0.400	1
96	1	8	LEU	CG	C	27.011	0.400	1
97	1	8	LEU	CD1	C	24.234	0.400	1
98	1	8	LEU	CD2	C	24.465	0.400	1
99	1	8	LEU	N	N	122.591	0.400	1
100	1	9	ASP	H	H	8.242	0.020	1
101	1	9	ASP	HA	H	4.362	0.020	1
102	1	9	ASP	HB2	H	2.709	0.020	2
103	1	9	ASP	HB3	H	2.689	0.020	2
104	1	9	ASP	C	C	178.748	0.400	1
105	1	9	ASP	CA	C	57.633	0.400	1
106	1	9	ASP	CB	C	40.841	0.400	1
107	1	9	ASP	N	N	118.046	0.400	1
108	1	10	LYS	H	H	7.847	0.020	1
109	1	10	LYS	HA	H	4.035	0.020	1
110	1	10	LYS	HB2	H	1.927	0.020	2
111	1	10	LYS	HB3	H	1.927	0.020	2
112	1	10	LYS	HG2	H	1.585	0.020	2
113	1	10	LYS	HG3	H	1.458	0.020	2
114	1	10	LYS	HD2	H	1.692	0.020	2
115	1	10	LYS	HD3	H	1.692	0.020	2
116	1	10	LYS	HE2	H	2.969	0.020	2
117	1	10	LYS	HE3	H	2.969	0.020	2
118	1	10	LYS	C	C	179.980	0.400	1
119	1	10	LYS	CA	C	59.199	0.400	1
120	1	10	LYS	CB	C	32.026	0.400	1
121	1	10	LYS	CG	C	25.272	0.400	1
122	1	10	LYS	CD	C	28.922	0.400	1
123	1	10	LYS	CE	C	41.982	0.400	1
124	1	10	LYS	N	N	119.372	0.400	1
125	1	11	LEU	H	H	8.156	0.020	1
126	1	11	LEU	HA	H	4.170	0.020	1
127	1	11	LEU	HB2	H	1.918	0.020	2
128	1	11	LEU	HB3	H	1.600	0.020	2
129	1	11	LEU	HG	H	1.723	0.020	1
130	1	11	LEU	HD11	H	0.876	0.020	2
131	1	11	LEU	HD12	H	0.876	0.020	2
132	1	11	LEU	HD13	H	0.876	0.020	2
133	1	11	LEU	HD21	H	0.900	0.020	2
134	1	11	LEU	HD22	H	0.900	0.020	2
135	1	11	LEU	HD23	H	0.900	0.020	2
136	1	11	LEU	C	C	178.596	0.400	1
137	1	11	LEU	CA	C	57.761	0.400	1
138	1	11	LEU	CB	C	42.500	0.400	1
139	1	11	LEU	CG	C	27.184	0.400	1
140	1	11	LEU	CD1	C	24.576	0.400	1
141	1	11	LEU	CD2	C	25.223	0.400	1
142	1	11	LEU	N	N	122.319	0.400	1
143	1	12	ARG	H	H	8.722	0.020	1
144	1	12	ARG	HA	H	3.801	0.020	1
145	1	12	ARG	HB2	H	1.495	0.020	2
146	1	12	ARG	HB3	H	1.901	0.020	2
147	1	12	ARG	HG2	H	2.006	0.020	2
148	1	12	ARG	HG3	H	2.006	0.020	2
149	1	12	ARG	HD2	H	3.170	0.020	2
150	1	12	ARG	HD3	H	3.170	0.020	2
151	1	12	ARG	C	C	178.990	0.400	1
152	1	12	ARG	CA	C	60.716	0.400	1
153	1	12	ARG	CB	C	29.769	0.400	1
154	1	12	ARG	CG	C	29.911	0.400	1
155	1	12	ARG	CD	C	43.620	0.400	1
156	1	12	ARG	N	N	119.024	0.400	1
157	1	13	GLN	H	H	8.021	0.020	1
158	1	13	GLN	HA	H	4.020	0.020	1
159	1	13	GLN	HB2	H	2.142	0.020	2
160	1	13	GLN	HB3	H	2.142	0.020	2
161	1	13	GLN	HG2	H	2.457	0.020	2
162	1	13	GLN	HG3	H	2.511	0.020	2
163	1	13	GLN	HE21	H	7.520	0.020	2
164	1	13	GLN	HE22	H	6.832	0.020	2
165	1	13	GLN	C	C	177.970	0.400	1
166	1	13	GLN	CA	C	58.893	0.400	1
167	1	13	GLN	CB	C	28.355	0.400	1
168	1	13	GLN	CG	C	33.783	0.400	1
169	1	13	GLN	N	N	117.535	0.400	1
170	1	13	GLN	NE2	N	112.176	0.400	1
171	1	14	ALA	H	H	8.014	0.020	1
172	1	14	ALA	HA	H	4.170	0.020	1
173	1	14	ALA	HB1	H	1.586	0.020	1
174	1	14	ALA	HB2	H	1.586	0.020	1
175	1	14	ALA	HB3	H	1.586	0.020	1
176	1	14	ALA	C	C	181.355	0.400	1
177	1	14	ALA	CA	C	54.989	0.400	1
178	1	14	ALA	CB	C	18.253	0.400	1
179	1	14	ALA	N	N	122.746	0.400	1
180	1	15	VAL	H	H	8.477	0.020	1
181	1	15	VAL	HA	H	3.508	0.020	1
182	1	15	VAL	HB	H	2.091	0.020	1
183	1	15	VAL	HG11	H	0.936	0.020	2
184	1	15	VAL	HG12	H	0.936	0.020	2
185	1	15	VAL	HG13	H	0.936	0.020	2
186	1	15	VAL	HG21	H	1.092	0.020	2
187	1	15	VAL	HG22	H	1.092	0.020	2
188	1	15	VAL	HG23	H	1.092	0.020	2
189	1	15	VAL	C	C	177.413	0.400	1
190	1	15	VAL	CA	C	66.858	0.400	1
191	1	15	VAL	CB	C	31.144	0.400	1
192	1	15	VAL	CG1	C	23.594	0.400	1
193	1	15	VAL	CG2	C	24.787	0.400	1
194	1	15	VAL	N	N	120.409	0.400	1
195	1	16	LEU	H	H	8.289	0.020	1
196	1	16	LEU	HA	H	3.819	0.020	1
197	1	16	LEU	HB2	H	1.989	0.020	2
198	1	16	LEU	HB3	H	1.989	0.020	2
199	1	16	LEU	HG	H	1.587	0.020	1
200	1	16	LEU	HD11	H	0.900	0.020	2
201	1	16	LEU	HD12	H	0.900	0.020	2
202	1	16	LEU	HD13	H	0.900	0.020	2
203	1	16	LEU	HD21	H	0.886	0.020	2
204	1	16	LEU	HD22	H	0.886	0.020	2
205	1	16	LEU	HD23	H	0.886	0.020	2
206	1	16	LEU	C	C	178.277	0.400	1
207	1	16	LEU	CA	C	58.850	0.400	1
208	1	16	LEU	CB	C	41.437	0.400	1
209	1	16	LEU	CG	C	26.928	0.400	1
210	1	16	LEU	CD1	C	25.367	0.400	1
211	1	16	LEU	CD2	C	24.513	0.400	1
212	1	16	LEU	N	N	121.990	0.400	1
213	1	17	GLN	H	H	8.161	0.020	1
214	1	17	GLN	HA	H	3.892	0.020	1
215	1	17	GLN	HB2	H	2.135	0.020	2
216	1	17	GLN	HB3	H	2.135	0.020	2
217	1	17	GLN	HG2	H	2.535	0.020	2
218	1	17	GLN	HG3	H	2.457	0.020	2
219	1	17	GLN	HE21	H	7.473	0.020	2
220	1	17	GLN	HE22	H	6.915	0.020	2
221	1	17	GLN	C	C	178.471	0.400	1
222	1	17	GLN	CA	C	59.027	0.400	1
223	1	17	GLN	CB	C	28.118	0.400	1
224	1	17	GLN	CG	C	33.912	0.400	1
225	1	17	GLN	N	N	115.467	0.400	1
226	1	17	GLN	NE2	N	112.018	0.400	1
227	1	18	LYS	H	H	7.666	0.020	1
228	1	18	LYS	HA	H	4.048	0.020	1
229	1	18	LYS	HB2	H	2.064	0.020	2
230	1	18	LYS	HB3	H	1.921	0.020	2
231	1	18	LYS	HG2	H	1.563	0.020	2
232	1	18	LYS	HG3	H	1.359	0.020	2
233	1	18	LYS	HD2	H	1.780	0.020	2
234	1	18	LYS	HD3	H	1.630	0.020	2
235	1	18	LYS	HE2	H	3.089	0.020	2
236	1	18	LYS	HE3	H	3.089	0.020	2
237	1	18	LYS	C	C	178.771	0.400	1
238	1	18	LYS	CA	C	59.490	0.400	1
239	1	18	LYS	CB	C	32.953	0.400	1
240	1	18	LYS	CG	C	24.964	0.400	1
241	1	18	LYS	CD	C	30.496	0.400	1
242	1	18	LYS	CE	C	42.165	0.400	1
243	1	18	LYS	N	N	120.623	0.400	1
244	1	19	LYS	H	H	8.468	0.020	1
245	1	19	LYS	HA	H	4.126	0.020	1
246	1	19	LYS	HB2	H	2.053	0.020	2
247	1	19	LYS	HB3	H	1.782	0.020	2
248	1	19	LYS	HG2	H	1.501	0.020	2
249	1	19	LYS	HG3	H	1.501	0.020	2
250	1	19	LYS	HD2	H	1.672	0.020	2
251	1	19	LYS	HD3	H	1.582	0.020	2
252	1	19	LYS	HE2	H	2.785	0.020	2
253	1	19	LYS	HE3	H	2.785	0.020	2
254	1	19	LYS	C	C	180.010	0.400	1
255	1	19	LYS	CA	C	58.387	0.400	1
256	1	19	LYS	CB	C	31.908	0.400	1
257	1	19	LYS	CG	C	25.010	0.400	1
258	1	19	LYS	CD	C	28.525	0.400	1
259	1	19	LYS	CE	C	41.817	0.400	1
260	1	19	LYS	N	N	118.640	0.400	1
261	1	20	ILE	H	H	8.610	0.020	1
262	1	20	ILE	HA	H	3.693	0.020	1
263	1	20	ILE	HB	H	1.910	0.020	1
264	1	20	ILE	HG12	H	1.158	0.020	2
265	1	20	ILE	HG13	H	1.594	0.020	2
266	1	20	ILE	HG21	H	0.839	0.020	1
267	1	20	ILE	HG22	H	0.839	0.020	1
268	1	20	ILE	HG23	H	0.839	0.020	1
269	1	20	ILE	HD11	H	0.748	0.020	1
270	1	20	ILE	HD12	H	0.748	0.020	1
271	1	20	ILE	HD13	H	0.748	0.020	1
272	1	20	ILE	C	C	177.714	0.400	1
273	1	20	ILE	CA	C	64.480	0.400	1
274	1	20	ILE	CB	C	37.434	0.400	1
275	1	20	ILE	CG1	C	28.818	0.400	1
276	1	20	ILE	CG2	C	17.194	0.400	1
277	1	20	ILE	CD1	C	12.831	0.400	1
278	1	20	ILE	N	N	120.618	0.400	1
279	1	21	LYS	H	H	7.896	0.020	1
280	1	21	LYS	HA	H	3.945	0.020	1
281	1	21	LYS	HB2	H	1.943	0.020	2
282	1	21	LYS	HB3	H	1.943	0.020	2
283	1	21	LYS	HG2	H	1.587	0.020	2
284	1	21	LYS	HG3	H	1.403	0.020	2
285	1	21	LYS	HD2	H	1.682	0.020	2
286	1	21	LYS	HD3	H	1.682	0.020	2
287	1	21	LYS	HE2	H	2.949	0.020	2
288	1	21	LYS	HE3	H	2.949	0.020	2
289	1	21	LYS	C	C	179.014	0.400	1
290	1	21	LYS	CA	C	59.705	0.400	1
291	1	21	LYS	CB	C	32.103	0.400	1
292	1	21	LYS	CG	C	25.149	0.400	1
293	1	21	LYS	CD	C	28.592	0.400	1
294	1	21	LYS	CE	C	41.923	0.400	1
295	1	21	LYS	N	N	120.118	0.400	1
296	1	22	GLU	H	H	7.974	0.020	1
297	1	22	GLU	HA	H	4.048	0.020	1
298	1	22	GLU	HB2	H	2.103	0.020	2
299	1	22	GLU	HB3	H	2.103	0.020	2
300	1	22	GLU	HG2	H	2.498	0.020	2
301	1	22	GLU	HG3	H	2.251	0.020	2
302	1	22	GLU	C	C	178.249	0.400	1
303	1	22	GLU	CA	C	58.921	0.400	1
304	1	22	GLU	CB	C	29.669	0.400	1
305	1	22	GLU	CG	C	36.407	0.400	1
306	1	22	GLU	N	N	118.377	0.400	1
307	1	23	ARG	H	H	7.851	0.020	1
308	1	23	ARG	HA	H	4.143	0.020	1
309	1	23	ARG	HB2	H	1.926	0.020	2
310	1	23	ARG	HB3	H	1.926	0.020	2
311	1	23	ARG	HG2	H	1.717	0.020	2
312	1	23	ARG	HG3	H	1.649	0.020	2
313	1	23	ARG	HD2	H	3.089	0.020	2
314	1	23	ARG	HD3	H	3.089	0.020	2
315	1	23	ARG	C	C	178.771	0.400	1
316	1	23	ARG	CA	C	58.350	0.400	1
317	1	23	ARG	CB	C	29.928	0.400	1
318	1	23	ARG	CG	C	27.236	0.400	1
319	1	23	ARG	CD	C	43.213	0.400	1
320	1	23	ARG	N	N	119.541	0.400	1
321	1	24	ILE	H	H	8.149	0.020	1
322	1	24	ILE	HA	H	3.773	0.020	1
323	1	24	ILE	HB	H	1.888	0.020	1
324	1	24	ILE	HG12	H	1.592	0.020	2
325	1	24	ILE	HG13	H	0.970	0.020	2
326	1	24	ILE	HG21	H	0.837	0.020	1
327	1	24	ILE	HG22	H	0.837	0.020	1
328	1	24	ILE	HG23	H	0.837	0.020	1
329	1	24	ILE	HD11	H	0.758	0.020	1
330	1	24	ILE	HD12	H	0.758	0.020	1
331	1	24	ILE	HD13	H	0.758	0.020	1
332	1	24	ILE	C	C	178.167	0.400	1
333	1	24	ILE	CA	C	63.986	0.400	1
334	1	24	ILE	CB	C	37.901	0.400	1
335	1	24	ILE	CG1	C	28.282	0.400	1
336	1	24	ILE	CG2	C	17.187	0.400	1
337	1	24	ILE	CD1	C	13.577	0.400	1
338	1	24	ILE	N	N	120.313	0.400	1
339	1	25	GLN	H	H	8.243	0.020	1
340	1	25	GLN	HA	H	4.102	0.020	1
341	1	25	GLN	HB2	H	2.126	0.020	2
342	1	25	GLN	HB3	H	2.126	0.020	2
343	1	25	GLN	HG2	H	2.420	0.020	2
344	1	25	GLN	HG3	H	2.420	0.020	2
345	1	25	GLN	HE21	H	7.528	0.020	2
346	1	25	GLN	HE22	H	6.846	0.020	2
347	1	25	GLN	C	C	177.503	0.400	1
348	1	25	GLN	CA	C	57.900	0.400	1
349	1	25	GLN	CB	C	28.598	0.400	1
350	1	25	GLN	CG	C	33.905	0.400	1
351	1	25	GLN	N	N	120.536	0.400	1
352	1	25	GLN	NE2	N	112.176	0.400	1
353	1	26	ASN	H	H	8.257	0.020	1
354	1	26	ASN	HA	H	4.671	0.020	1
355	1	26	ASN	HB2	H	2.868	0.020	2
356	1	26	ASN	HB3	H	2.868	0.020	2
357	1	26	ASN	HD21	H	7.675	0.020	2
358	1	26	ASN	HD22	H	7.025	0.020	2
359	1	26	ASN	C	C	176.254	0.400	1
360	1	26	ASN	CA	C	54.392	0.400	1
361	1	26	ASN	CB	C	38.604	0.400	1
362	1	26	ASN	N	N	117.846	0.400	1
363	1	26	ASN	ND2	N	112.910	0.400	1
364	1	27	SER	H	H	8.074	0.020	1
365	1	27	SER	HA	H	4.421	0.020	1
366	1	27	SER	HB2	H	3.988	0.020	2
367	1	27	SER	HB3	H	3.988	0.020	2
368	1	27	SER	C	C	174.944	0.400	1
369	1	27	SER	CA	C	59.780	0.400	1
370	1	27	SER	CB	C	63.609	0.400	1
371	1	27	SER	N	N	116.057	0.400	1
372	1	28	LEU	H	H	8.063	0.020	1
373	1	28	LEU	HA	H	4.369	0.020	1
374	1	28	LEU	HB2	H	1.745	0.020	2
375	1	28	LEU	HB3	H	1.605	0.020	2
376	1	28	LEU	HG	H	1.742	0.020	1
377	1	28	LEU	HD11	H	0.844	0.020	2
378	1	28	LEU	HD12	H	0.844	0.020	2
379	1	28	LEU	HD13	H	0.844	0.020	2
380	1	28	LEU	HD21	H	0.888	0.020	2
381	1	28	LEU	HD22	H	0.888	0.020	2
382	1	28	LEU	HD23	H	0.888	0.020	2
383	1	28	LEU	C	C	177.976	0.400	1
384	1	28	LEU	CA	C	55.656	0.400	1
385	1	28	LEU	CB	C	42.087	0.400	1
386	1	28	LEU	CG	C	26.700	0.400	1
387	1	28	LEU	CD1	C	23.070	0.400	1
388	1	28	LEU	CD2	C	25.193	0.400	1
389	1	28	LEU	N	N	122.682	0.400	1
390	1	29	SER	H	H	8.162	0.020	1
391	1	29	SER	HA	H	4.481	0.020	1
392	1	29	SER	HB2	H	3.998	0.020	2
393	1	29	SER	HB3	H	3.947	0.020	2
394	1	29	SER	C	C	175.265	0.400	1
395	1	29	SER	CA	C	58.728	0.400	1
396	1	29	SER	CB	C	63.541	0.400	1
397	1	29	SER	N	N	115.496	0.400	1
398	1	30	THR	H	H	8.119	0.020	1
399	1	30	THR	HA	H	4.310	0.020	1
400	1	30	THR	HB	H	4.312	0.020	1
401	1	30	THR	HG21	H	1.222	0.020	1
402	1	30	THR	HG22	H	1.222	0.020	1
403	1	30	THR	HG23	H	1.222	0.020	1
404	1	30	THR	C	C	175.057	0.400	1
405	1	30	THR	CA	C	62.383	0.400	1
406	1	30	THR	CB	C	69.399	0.400	1
407	1	30	THR	CG2	C	21.622	0.400	1
408	1	30	THR	N	N	115.243	0.400	1
409	1	31	GLU	H	H	8.298	0.020	1
410	1	31	GLU	HA	H	4.223	0.020	1
411	1	31	GLU	HB2	H	1.989	0.020	2
412	1	31	GLU	HB3	H	1.989	0.020	2
413	1	31	GLU	HG2	H	2.232	0.020	2
414	1	31	GLU	HG3	H	2.232	0.020	2
415	1	31	GLU	C	C	176.637	0.400	1
416	1	31	GLU	CA	C	56.922	0.400	1
417	1	31	GLU	CB	C	29.752	0.400	1
418	1	31	GLU	CG	C	35.888	0.400	1
419	1	31	GLU	N	N	122.771	0.400	1
420	1	32	LYS	H	H	8.176	0.020	1
421	1	32	LYS	HA	H	4.196	0.020	1
422	1	32	LYS	HB2	H	1.629	0.020	2
423	1	32	LYS	HB3	H	1.629	0.020	2
424	1	32	LYS	HG2	H	1.265	0.020	2
425	1	32	LYS	HG3	H	1.175	0.020	2
426	1	32	LYS	HD2	H	1.585	0.020	2
427	1	32	LYS	HD3	H	1.585	0.020	2
428	1	32	LYS	HE2	H	2.923	0.020	2
429	1	32	LYS	HE3	H	2.923	0.020	2
430	1	32	LYS	C	C	176.516	0.400	1
431	1	32	LYS	CA	C	56.556	0.400	1
432	1	32	LYS	CB	C	32.834	0.400	1
433	1	32	LYS	CG	C	24.568	0.400	1
434	1	32	LYS	CD	C	28.891	0.400	1
435	1	32	LYS	CE	C	42.017	0.400	1
436	1	32	LYS	N	N	121.350	0.400	1
437	1	60	GLN	H	H	8.314	0.020	1
438	1	60	GLN	HA	H	4.320	0.020	1
439	1	60	GLN	HB2	H	2.068	0.020	2
440	1	60	GLN	HB3	H	1.949	0.020	2
441	1	60	GLN	HG2	H	2.273	0.020	2
442	1	60	GLN	HG3	H	2.273	0.020	2
443	1	60	GLN	HE21	H	7.509	0.020	2
444	1	60	GLN	HE22	H	6.847	0.020	2
445	1	60	GLN	C	C	175.846	0.400	1
446	1	60	GLN	CA	C	55.564	0.400	1
447	1	60	GLN	CB	C	29.303	0.400	1
448	1	60	GLN	CG	C	33.665	0.400	1
449	1	60	GLN	N	N	122.498	0.400	1
450	1	60	GLN	NE2	N	112.532	0.400	1
451	1	61	ILE	H	H	8.239	0.020	1
452	1	61	ILE	HA	H	4.031	0.020	1
453	1	61	ILE	HB	H	1.855	0.020	1
454	1	61	ILE	HG12	H	1.496	0.020	2
455	1	61	ILE	HG13	H	1.197	0.020	2
456	1	61	ILE	HG21	H	0.904	0.020	1
457	1	61	ILE	HG22	H	0.904	0.020	1
458	1	61	ILE	HG23	H	0.904	0.020	1
459	1	61	ILE	HD11	H	0.865	0.020	1
460	1	61	ILE	HD12	H	0.865	0.020	1
461	1	61	ILE	HD13	H	0.865	0.020	1
462	1	61	ILE	C	C	176.426	0.400	1
463	1	61	ILE	CA	C	62.141	0.400	1
464	1	61	ILE	CB	C	38.527	0.400	1
465	1	61	ILE	CG1	C	27.751	0.400	1
466	1	61	ILE	CG2	C	17.530	0.400	1
467	1	61	ILE	CD1	C	13.208	0.400	1
468	1	61	ILE	N	N	122.419	0.400	1
469	1	62	GLU	H	H	8.670	0.020	1
470	1	62	GLU	HA	H	4.180	0.020	1
471	1	62	GLU	HB2	H	1.983	0.020	2
472	1	62	GLU	HB3	H	1.940	0.020	2
473	1	62	GLU	HG2	H	2.247	0.020	2
474	1	62	GLU	HG3	H	2.247	0.020	2
475	1	62	GLU	C	C	177.053	0.400	1
476	1	62	GLU	CA	C	57.686	0.400	1
477	1	62	GLU	CB	C	29.785	0.400	1
478	1	62	GLU	CG	C	36.274	0.400	1
479	1	62	GLU	N	N	123.204	0.400	1
480	1	63	THR	H	H	7.942	0.020	1
481	1	63	THR	HA	H	4.155	0.020	1
482	1	63	THR	HB	H	4.061	0.020	1
483	1	63	THR	HG21	H	1.054	0.020	1
484	1	63	THR	HG22	H	1.054	0.020	1
485	1	63	THR	HG23	H	1.054	0.020	1
486	1	63	THR	C	C	174.732	0.400	1
487	1	63	THR	CA	C	62.729	0.400	1
488	1	63	THR	CB	C	69.402	0.400	1
489	1	63	THR	CG2	C	21.620	0.400	1
490	1	63	THR	N	N	114.078	0.400	1
491	1	64	PHE	H	H	8.077	0.020	1
492	1	64	PHE	HA	H	4.470	0.020	1
493	1	64	PHE	HB2	H	2.961	0.020	2
494	1	64	PHE	HB3	H	2.961	0.020	2
495	1	64	PHE	HD1	H	6.772	0.020	1
496	1	64	PHE	HD2	H	6.772	0.020	1
497	1	64	PHE	HE1	H	7.205	0.020	1
498	1	64	PHE	HE2	H	7.205	0.020	1
499	1	64	PHE	HZ	H	7.193	0.020	1
500	1	64	PHE	C	C	175.762	0.400	1
501	1	64	PHE	CA	C	58.573	0.400	1
502	1	64	PHE	CB	C	39.226	0.400	1
503	1	64	PHE	CD2	C	133.148	0.400	1
504	1	64	PHE	CE1	C	131.522	0.400	1
505	1	64	PHE	CZ	C	129.682	0.400	1
506	1	64	PHE	N	N	121.990	0.400	1
507	1	65	PHE	H	H	8.170	0.020	1
508	1	65	PHE	HA	H	4.595	0.020	1
509	1	65	PHE	HB2	H	3.218	0.020	2
510	1	65	PHE	HB3	H	2.959	0.020	2
511	1	65	PHE	HD1	H	6.809	0.020	1
512	1	65	PHE	HD2	H	6.809	0.020	1
513	1	65	PHE	HE1	H	7.294	0.020	1
514	1	65	PHE	HE2	H	7.294	0.020	1
515	1	65	PHE	HZ	H	7.028	0.020	1
516	1	65	PHE	C	C	175.778	0.400	1
517	1	65	PHE	CA	C	58.061	0.400	1
518	1	65	PHE	CB	C	39.163	0.400	1
519	1	65	PHE	CD1	C	133.234	0.400	1
520	1	65	PHE	CE2	C	131.661	0.400	1
521	1	65	PHE	CZ	C	131.552	0.400	1
522	1	65	PHE	N	N	120.090	0.400	1
523	1	66	ALA	H	H	8.087	0.020	1
524	1	66	ALA	HA	H	4.120	0.020	1
525	1	66	ALA	HB1	H	1.435	0.020	1
526	1	66	ALA	HB2	H	1.435	0.020	1
527	1	66	ALA	HB3	H	1.435	0.020	1
528	1	66	ALA	C	C	178.701	0.400	1
529	1	66	ALA	CA	C	54.024	0.400	1
530	1	66	ALA	CB	C	18.831	0.400	1
531	1	66	ALA	N	N	123.876	0.400	1
532	1	67	GLN	H	H	8.295	0.020	1
533	1	67	GLN	HA	H	4.214	0.020	1
534	1	67	GLN	HB2	H	2.058	0.020	2
535	1	67	GLN	HB3	H	2.058	0.020	2
536	1	67	GLN	HG2	H	2.380	0.020	2
537	1	67	GLN	HG3	H	2.380	0.020	2
538	1	67	GLN	HE21	H	7.550	0.020	2
539	1	67	GLN	HE22	H	6.852	0.020	2
540	1	67	GLN	C	C	176.770	0.400	1
541	1	67	GLN	CA	C	57.146	0.400	1
542	1	67	GLN	CB	C	29.066	0.400	1
543	1	67	GLN	CG	C	33.971	0.400	1
544	1	67	GLN	N	N	117.509	0.400	1
545	1	67	GLN	NE2	N	112.352	0.400	1
546	1	68	ASP	H	H	8.158	0.020	1
547	1	68	ASP	HA	H	4.567	0.020	1
548	1	68	ASP	HB2	H	2.754	0.020	2
549	1	68	ASP	HB3	H	2.662	0.020	2
550	1	68	ASP	C	C	177.352	0.400	1
551	1	68	ASP	CA	C	55.348	0.400	1
552	1	68	ASP	CB	C	40.932	0.400	1
553	1	68	ASP	N	N	120.806	0.400	1
554	1	69	ILE	H	H	8.142	0.020	1
555	1	69	ILE	HA	H	3.725	0.020	1
556	1	69	ILE	HB	H	1.893	0.020	1
557	1	69	ILE	HG12	H	1.533	0.020	2
558	1	69	ILE	HG13	H	1.153	0.020	2
559	1	69	ILE	HG21	H	0.899	0.020	1
560	1	69	ILE	HG22	H	0.899	0.020	1
561	1	69	ILE	HG23	H	0.899	0.020	1
562	1	69	ILE	HD11	H	0.805	0.020	1
563	1	69	ILE	HD12	H	0.805	0.020	1
564	1	69	ILE	HD13	H	0.805	0.020	1
565	1	69	ILE	C	C	177.290	0.400	1
566	1	69	ILE	CA	C	63.900	0.400	1
567	1	69	ILE	CB	C	37.900	0.400	1
568	1	69	ILE	CG1	C	28.694	0.400	1
569	1	69	ILE	CG2	C	17.525	0.400	1
570	1	69	ILE	CD1	C	12.960	0.400	1
571	1	69	ILE	N	N	120.546	0.400	1
572	1	70	GLU	H	H	8.284	0.020	1
573	1	70	GLU	HA	H	4.093	0.020	1
574	1	70	GLU	HB2	H	2.074	0.020	2
575	1	70	GLU	HB3	H	2.074	0.020	2
576	1	70	GLU	HG2	H	2.360	0.020	2
577	1	70	GLU	HG3	H	2.268	0.020	2
578	1	70	GLU	C	C	179.097	0.400	1
579	1	70	GLU	CA	C	59.537	0.400	1
580	1	70	GLU	CB	C	29.253	0.400	1
581	1	70	GLU	CG	C	36.526	0.400	1
582	1	70	GLU	N	N	120.860	0.400	1
583	1	71	SER	H	H	8.017	0.020	1
584	1	71	SER	HA	H	4.210	0.020	1
585	1	71	SER	HB2	H	4.003	0.020	2
586	1	71	SER	HB3	H	3.989	0.020	2
587	1	71	SER	C	C	177.074	0.400	1
588	1	71	SER	CA	C	61.549	0.400	1
589	1	71	SER	CB	C	62.519	0.400	1
590	1	71	SER	N	N	114.790	0.400	1
591	1	72	VAL	H	H	7.853	0.020	1
592	1	72	VAL	HA	H	3.754	0.020	1
593	1	72	VAL	HB	H	2.065	0.020	1
594	1	72	VAL	HG11	H	0.870	0.020	2
595	1	72	VAL	HG12	H	0.870	0.020	2
596	1	72	VAL	HG13	H	0.870	0.020	2
597	1	72	VAL	HG21	H	0.964	0.020	2
598	1	72	VAL	HG22	H	0.964	0.020	2
599	1	72	VAL	HG23	H	0.964	0.020	2
600	1	72	VAL	C	C	177.793	0.400	1
601	1	72	VAL	CA	C	65.788	0.400	1
602	1	72	VAL	CB	C	31.424	0.400	1
603	1	72	VAL	CG1	C	22.095	0.400	1
604	1	72	VAL	CG2	C	22.408	0.400	1
605	1	72	VAL	N	N	123.163	0.400	1
606	1	73	GLN	H	H	8.449	0.020	1
607	1	73	GLN	HA	H	3.823	0.020	1
608	1	73	GLN	HB2	H	2.214	0.020	2
609	1	73	GLN	HB3	H	2.124	0.020	2
610	1	73	GLN	HG2	H	2.443	0.020	2
611	1	73	GLN	HG3	H	2.339	0.020	2
612	1	73	GLN	HE21	H	7.388	0.020	2
613	1	73	GLN	HE22	H	6.740	0.020	2
614	1	73	GLN	C	C	179.115	0.400	1
615	1	73	GLN	CA	C	59.803	0.400	1
616	1	73	GLN	CB	C	28.334	0.400	1
617	1	73	GLN	CG	C	34.217	0.400	1
618	1	73	GLN	N	N	119.069	0.400	1
619	1	73	GLN	NE2	N	110.908	0.400	1
620	1	74	LYS	H	H	7.865	0.020	1
621	1	74	LYS	HA	H	4.056	0.020	1
622	1	74	LYS	HB2	H	1.922	0.020	2
623	1	74	LYS	HB3	H	1.922	0.020	2
624	1	74	LYS	HG2	H	1.578	0.020	2
625	1	74	LYS	HG3	H	1.503	0.020	2
626	1	74	LYS	HD2	H	1.686	0.020	2
627	1	74	LYS	HD3	H	1.686	0.020	2
628	1	74	LYS	HE2	H	2.955	0.020	2
629	1	74	LYS	HE3	H	2.955	0.020	2
630	1	74	LYS	C	C	179.116	0.400	1
631	1	74	LYS	CA	C	58.891	0.400	1
632	1	74	LYS	CB	C	31.991	0.400	1
633	1	74	LYS	CG	C	24.952	0.400	1
634	1	74	LYS	CD	C	28.592	0.400	1
635	1	74	LYS	CE	C	41.917	0.400	1
636	1	74	LYS	N	N	118.176	0.400	1
637	1	75	GLU	H	H	7.697	0.020	1
638	1	75	GLU	HA	H	4.079	0.020	1
639	1	75	GLU	HB2	H	2.226	0.020	2
640	1	75	GLU	HB3	H	2.136	0.020	2
641	1	75	GLU	HG2	H	2.439	0.020	2
642	1	75	GLU	HG3	H	2.439	0.020	2
643	1	75	GLU	C	C	179.297	0.400	1
644	1	75	GLU	CA	C	58.812	0.400	1
645	1	75	GLU	CB	C	29.461	0.400	1
646	1	75	GLU	CG	C	36.089	0.400	1
647	1	75	GLU	N	N	119.114	0.400	1
648	1	76	LEU	H	H	7.853	0.020	1
649	1	76	LEU	HA	H	4.235	0.020	1
650	1	76	LEU	HB2	H	1.964	0.020	2
651	1	76	LEU	HB3	H	1.443	0.020	2
652	1	76	LEU	HG	H	2.101	0.020	1
653	1	76	LEU	HD11	H	0.737	0.020	2
654	1	76	LEU	HD12	H	0.737	0.020	2
655	1	76	LEU	HD13	H	0.737	0.020	2
656	1	76	LEU	HD21	H	0.821	0.020	2
657	1	76	LEU	HD22	H	0.821	0.020	2
658	1	76	LEU	HD23	H	0.821	0.020	2
659	1	76	LEU	C	C	179.415	0.400	1
660	1	76	LEU	CA	C	55.847	0.400	1
661	1	76	LEU	CB	C	41.784	0.400	1
662	1	76	LEU	CG	C	26.087	0.400	1
663	1	76	LEU	CD1	C	23.058	0.400	1
664	1	76	LEU	CD2	C	26.479	0.400	1
665	1	76	LEU	N	N	116.287	0.400	1
666	1	77	GLU	H	H	7.519	0.020	1
667	1	77	GLU	HA	H	3.903	0.020	1
668	1	77	GLU	HB2	H	2.147	0.020	2
669	1	77	GLU	HB3	H	2.061	0.020	2
670	1	77	GLU	HG2	H	2.418	0.020	2
671	1	77	GLU	HG3	H	2.320	0.020	2
672	1	77	GLU	C	C	176.233	0.400	1
673	1	77	GLU	CA	C	59.146	0.400	1
674	1	77	GLU	CB	C	29.781	0.400	1
675	1	77	GLU	CG	C	35.987	0.400	1
676	1	77	GLU	N	N	118.466	0.400	1
677	1	78	ASN	H	H	8.075	0.020	1
678	1	78	ASN	HA	H	4.888	0.020	1
679	1	78	ASN	HB2	H	3.002	0.020	2
680	1	78	ASN	HB3	H	2.707	0.020	2
681	1	78	ASN	HD21	H	7.622	0.020	2
682	1	78	ASN	HD22	H	6.990	0.020	2
683	1	78	ASN	C	C	175.189	0.400	1
684	1	78	ASN	CA	C	52.982	0.400	1
685	1	78	ASN	CB	C	39.235	0.400	1
686	1	78	ASN	N	N	114.199	0.400	1
687	1	78	ASN	ND2	N	114.138	0.400	1
688	1	79	LEU	H	H	7.161	0.020	1
689	1	79	LEU	HA	H	4.540	0.020	1
690	1	79	LEU	HB2	H	1.776	0.020	2
691	1	79	LEU	HB3	H	1.503	0.020	2
692	1	79	LEU	HG	H	0.841	0.020	1
693	1	79	LEU	HD11	H	0.933	0.020	2
694	1	79	LEU	HD12	H	0.933	0.020	2
695	1	79	LEU	HD13	H	0.933	0.020	2
696	1	79	LEU	HD21	H	0.824	0.020	2
697	1	79	LEU	HD22	H	0.824	0.020	2
698	1	79	LEU	HD23	H	0.824	0.020	2
699	1	79	LEU	C	C	177.043	0.400	1
700	1	79	LEU	CA	C	54.718	0.400	1
701	1	79	LEU	CB	C	42.659	0.400	1
702	1	79	LEU	CG	C	26.843	0.400	1
703	1	79	LEU	CD1	C	27.264	0.400	1
704	1	79	LEU	CD2	C	22.511	0.400	1
705	1	79	LEU	N	N	119.784	0.400	1
706	1	80	SER	H	H	9.179	0.020	1
707	1	80	SER	HA	H	4.506	0.020	1
708	1	80	SER	HB2	H	4.415	0.020	2
709	1	80	SER	HB3	H	4.086	0.020	2
710	1	80	SER	C	C	174.620	0.400	1
711	1	80	SER	CA	C	56.892	0.400	1
712	1	80	SER	CB	C	66.007	0.400	1
713	1	80	SER	N	N	118.074	0.400	1
714	1	81	GLU	H	H	9.218	0.020	1
715	1	81	GLU	HA	H	3.759	0.020	1
716	1	81	GLU	HB2	H	2.007	0.020	2
717	1	81	GLU	HB3	H	2.121	0.020	2
718	1	81	GLU	HG2	H	2.143	0.020	2
719	1	81	GLU	HG3	H	2.143	0.020	2
720	1	81	GLU	C	C	177.717	0.400	1
721	1	81	GLU	CA	C	60.624	0.400	1
722	1	81	GLU	CB	C	29.743	0.400	1
723	1	81	GLU	CG	C	36.297	0.400	1
724	1	81	GLU	N	N	121.086	0.400	1
725	1	82	GLU	H	H	8.819	0.020	1
726	1	82	GLU	HA	H	3.935	0.020	1
727	1	82	GLU	HB2	H	2.057	0.020	2
728	1	82	GLU	HB3	H	1.963	0.020	2
729	1	82	GLU	HG2	H	2.368	0.020	2
730	1	82	GLU	HG3	H	2.313	0.020	2
731	1	82	GLU	C	C	179.932	0.400	1
732	1	82	GLU	CA	C	60.253	0.400	1
733	1	82	GLU	CB	C	29.136	0.400	1
734	1	82	GLU	CG	C	36.695	0.400	1
735	1	82	GLU	N	N	116.597	0.400	1
736	1	83	GLU	H	H	7.757	0.020	1
737	1	83	GLU	HA	H	4.030	0.020	1
738	1	83	GLU	HB2	H	2.383	0.020	2
739	1	83	GLU	HB3	H	1.996	0.020	2
740	1	83	GLU	HG2	H	2.256	0.020	2
741	1	83	GLU	HG3	H	2.348	0.020	2
742	1	83	GLU	C	C	179.740	0.400	1
743	1	83	GLU	CA	C	59.029	0.400	1
744	1	83	GLU	CB	C	30.720	0.400	1
745	1	83	GLU	CG	C	37.708	0.400	1
746	1	83	GLU	N	N	120.529	0.400	1
747	1	84	LEU	H	H	8.456	0.020	1
748	1	84	LEU	HA	H	4.032	0.020	1
749	1	84	LEU	HB2	H	2.098	0.020	2
750	1	84	LEU	HB3	H	1.264	0.020	2
751	1	84	LEU	HG	H	1.774	0.020	1
752	1	84	LEU	HD11	H	0.845	0.020	2
753	1	84	LEU	HD12	H	0.845	0.020	2
754	1	84	LEU	HD13	H	0.845	0.020	2
755	1	84	LEU	HD21	H	0.948	0.020	2
756	1	84	LEU	HD22	H	0.948	0.020	2
757	1	84	LEU	HD23	H	0.948	0.020	2
758	1	84	LEU	C	C	179.007	0.400	1
759	1	84	LEU	CA	C	58.052	0.400	1
760	1	84	LEU	CB	C	42.295	0.400	1
761	1	84	LEU	CG	C	26.847	0.400	1
762	1	84	LEU	CD1	C	24.369	0.400	1
763	1	84	LEU	CD2	C	24.798	0.400	1
764	1	84	LEU	N	N	121.413	0.400	1
765	1	85	LEU	H	H	8.651	0.020	1
766	1	85	LEU	HA	H	3.901	0.020	1
767	1	85	LEU	HB2	H	1.823	0.020	2
768	1	85	LEU	HB3	H	1.470	0.020	2
769	1	85	LEU	HG	H	1.764	0.020	1
770	1	85	LEU	HD11	H	0.878	0.020	2
771	1	85	LEU	HD12	H	0.878	0.020	2
772	1	85	LEU	HD13	H	0.878	0.020	2
773	1	85	LEU	HD21	H	0.866	0.020	2
774	1	85	LEU	HD22	H	0.866	0.020	2
775	1	85	LEU	HD23	H	0.866	0.020	2
776	1	85	LEU	C	C	179.740	0.400	1
777	1	85	LEU	CA	C	58.039	0.400	1
778	1	85	LEU	CB	C	41.720	0.400	1
779	1	85	LEU	CG	C	26.790	0.400	1
780	1	85	LEU	CD1	C	25.382	0.400	1
781	1	85	LEU	CD2	C	23.548	0.400	1
782	1	85	LEU	N	N	119.270	0.400	1
783	1	86	ALA	H	H	7.662	0.020	1
784	1	86	ALA	HA	H	4.178	0.020	1
785	1	86	ALA	HB1	H	1.490	0.020	1
786	1	86	ALA	HB2	H	1.490	0.020	1
787	1	86	ALA	HB3	H	1.490	0.020	1
788	1	86	ALA	C	C	180.656	0.400	1
789	1	86	ALA	CA	C	54.656	0.400	1
790	1	86	ALA	CB	C	17.704	0.400	1
791	1	86	ALA	N	N	120.526	0.400	1
792	1	87	MET	H	H	7.614	0.020	1
793	1	87	MET	HA	H	4.157	0.020	1
794	1	87	MET	HB2	H	2.303	0.020	2
795	1	87	MET	HB3	H	2.045	0.020	2
796	1	87	MET	HG2	H	2.850	0.020	2
797	1	87	MET	HG3	H	2.496	0.020	2
798	1	87	MET	C	C	178.213	0.400	1
799	1	87	MET	CA	C	58.347	0.400	1
800	1	87	MET	CB	C	33.369	0.400	1
801	1	87	MET	CG	C	32.858	0.400	1
802	1	87	MET	N	N	117.188	0.400	1
803	1	88	LEU	H	H	8.012	0.020	1
804	1	88	LEU	HA	H	4.062	0.020	1
805	1	88	LEU	HB2	H	1.733	0.020	2
806	1	88	LEU	HB3	H	1.648	0.020	2
807	1	88	LEU	HG	H	1.653	0.020	1
808	1	88	LEU	HD11	H	0.844	0.020	2
809	1	88	LEU	HD12	H	0.844	0.020	2
810	1	88	LEU	HD13	H	0.844	0.020	2
811	1	88	LEU	HD21	H	0.798	0.020	2
812	1	88	LEU	HD22	H	0.798	0.020	2
813	1	88	LEU	HD23	H	0.798	0.020	2
814	1	88	LEU	C	C	177.761	0.400	1
815	1	88	LEU	CA	C	56.655	0.400	1
816	1	88	LEU	CB	C	42.275	0.400	1
817	1	88	LEU	CG	C	26.390	0.400	1
818	1	88	LEU	CD1	C	24.500	0.400	1
819	1	88	LEU	CD2	C	24.172	0.400	1
820	1	88	LEU	N	N	119.902	0.400	1
821	1	89	ASN	H	H	8.029	0.020	1
822	1	89	ASN	HA	H	4.693	0.020	1
823	1	89	ASN	HB2	H	2.882	0.020	2
824	1	89	ASN	HB3	H	2.753	0.020	2
825	1	89	ASN	HD21	H	7.570	0.020	2
826	1	89	ASN	HD22	H	6.919	0.020	2
827	1	89	ASN	C	C	176.190	0.400	1
828	1	89	ASN	CA	C	53.560	0.400	1
829	1	89	ASN	CB	C	39.058	0.400	1
830	1	89	ASN	N	N	115.508	0.400	1
831	1	89	ASN	ND2	N	112.531	0.400	1
832	1	90	GLY	H	H	7.979	0.020	1
833	1	90	GLY	HA2	H	3.988	0.020	2
834	1	90	GLY	HA3	H	3.988	0.020	2
835	1	90	GLY	C	C	173.911	0.400	1
836	1	90	GLY	CA	C	45.583	0.400	1
837	1	90	GLY	N	N	108.566	0.400	1
838	1	91	ASP	H	H	8.283	0.020	1
839	1	91	ASP	HA	H	4.617	0.020	1
840	1	91	ASP	HB2	H	2.699	0.020	2
841	1	91	ASP	HB3	H	2.627	0.020	2
842	1	91	ASP	C	C	176.191	0.400	1
843	1	91	ASP	CA	C	54.340	0.400	1
844	1	91	ASP	CB	C	41.079	0.400	1
845	1	91	ASP	N	N	120.372	0.400	1
846	1	92	GLN	H	H	8.300	0.020	1
847	1	92	GLN	HA	H	4.315	0.020	1
848	1	92	GLN	HB2	H	2.130	0.020	2
849	1	92	GLN	HB3	H	1.980	0.020	2
850	1	92	GLN	HG2	H	2.361	0.020	2
851	1	92	GLN	HG3	H	2.361	0.020	2
852	1	92	GLN	HE21	H	7.569	0.020	2
853	1	92	GLN	HE22	H	6.817	0.020	2
854	1	92	GLN	C	C	175.136	0.400	1
855	1	92	GLN	CA	C	55.684	0.400	1
856	1	92	GLN	CB	C	29.346	0.400	1
857	1	92	GLN	CG	C	33.791	0.400	1
858	1	92	GLN	N	N	120.448	0.400	1
859	1	92	GLN	NE2	N	112.809	0.400	1
860	1	93	GLN	H	H	8.110	0.020	1
861	1	93	GLN	HA	H	4.136	0.020	1
862	1	93	GLN	HB2	H	2.116	0.020	2
863	1	93	GLN	HB3	H	1.911	0.020	2
864	1	93	GLN	HG2	H	2.289	0.020	2
865	1	93	GLN	HG3	H	2.289	0.020	2
866	1	93	GLN	HE21	H	7.629	0.020	2
867	1	93	GLN	HE22	H	6.861	0.020	2
868	1	93	GLN	CA	C	57.308	0.400	1
869	1	93	GLN	CB	C	30.213	0.400	1
870	1	93	GLN	CG	C	34.136	0.400	1
871	1	93	GLN	N	N	127.079	0.400	1
872	1	93	GLN	NE2	N	113.177	0.400	1

Release date

2019-12-22

Citation

A New Docking Domain Type in the Peptide-Antimicrobial-Xenorhabdus Peptide Producing Nonribosomal Peptide Synthetase from Xenorhabdus bovienii
Watzel, J., Hacker, C., Duchardt-Ferner, E., Bode, H.B., Woehnert, J.
ACS Chem. Biol. (2020), 15, 982-989, PubMed 32167274 , DOI 10.1021/acschembio.9b01022 , Abstract