BMRB: 34699

Solution structure of thanatin-like derivative 4 in complex with E.coli LptA

Authors

Moehle, K., Zerbe, O.

Assembly

Lipopolysaccharide export system protein LptA, Thanatin-like derivative

Entity

1. Lipopolysaccharide export system protein LptA, Thanatin-like derivative, entity 1 (polymer, Thiol state: not present), 118 monomers, 12856.19 Da Detail

VTGDTDQPIH IESDQQSLDM QGNVVTFTGN VIVTQGTIKI NADKVVVTRP GGEQGKEVID GYGKPATFYQ MQDNGKPVEG HASQMHYELA KDFVVLTGNA YLQQVDSNIK GDKITYLV

2. Lipopolysaccharide export system protein LptA, Thanatin-like derivative, entity 2 (polymer), 16 monomers, 1844.168 Da Detail

XXITYXNRXT XKCXRY

Total weight

14700.358 Da

Max. entity weight

12856.19 Da

Source organism

Escherichia coli K-12 , Podisus maculiventris

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 866, ¹³C: 468, ¹⁵N: 120 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	VAL	HA	H	4.216	0.020
2	1	1	VAL	HB	H	2.098	0.020
3	1	1	VAL	HG11	H	0.778	0.020
4	1	1	VAL	HG12	H	0.778	0.020
5	1	1	VAL	HG13	H	0.778	0.020
6	1	1	VAL	HG21	H	0.861	0.020
7	1	1	VAL	HG22	H	0.861	0.020
8	1	1	VAL	HG23	H	0.861	0.020
9	1	1	VAL	C	C	176.519	0.300
10	1	1	VAL	CA	C	62.430	0.300
11	1	1	VAL	CB	C	32.740	0.300
12	1	1	VAL	CG1	C	20.944	0.300
13	1	1	VAL	CG2	C	20.813	0.300
14	1	2	THR	H	H	8.297	0.020
15	1	2	THR	HA	H	4.387	0.020
16	1	2	THR	HB	H	4.166	0.020
17	1	2	THR	HG21	H	1.183	0.020
18	1	2	THR	HG22	H	1.183	0.020
19	1	2	THR	HG23	H	1.183	0.020
20	1	2	THR	C	C	174.773	0.300
21	1	2	THR	CA	C	61.613	0.300
22	1	2	THR	CB	C	69.980	0.300
23	1	2	THR	CG2	C	21.767	0.300
24	1	2	THR	N	N	117.565	0.300
25	1	3	GLY	H	H	8.840	0.020
26	1	3	GLY	HA2	H	3.989	0.020
27	1	3	GLY	HA3	H	4.229	0.020
28	1	3	GLY	C	C	175.847	0.300
29	1	3	GLY	CA	C	45.075	0.300
30	1	3	GLY	N	N	112.629	0.300
31	1	4	ASP	H	H	8.953	0.020
32	1	4	ASP	HA	H	4.456	0.020
33	1	4	ASP	HB2	H	2.468	0.020
34	1	4	ASP	HB3	H	2.867	0.020
35	1	4	ASP	C	C	178.030	0.300
36	1	4	ASP	CA	C	58.629	0.300
37	1	4	ASP	CB	C	41.342	0.300
38	1	4	ASP	N	N	122.262	0.300
39	1	5	THR	H	H	7.746	0.020
40	1	5	THR	HA	H	3.982	0.020
41	1	5	THR	HB	H	4.537	0.020
42	1	5	THR	HG21	H	1.159	0.020
43	1	5	THR	HG22	H	1.159	0.020
44	1	5	THR	HG23	H	1.159	0.020
45	1	5	THR	C	C	174.748	0.300
46	1	5	THR	CA	C	64.127	0.300
47	1	5	THR	CB	C	67.890	0.300
48	1	5	THR	CG2	C	22.811	0.300
49	1	5	THR	N	N	104.112	0.300
50	1	6	ASP	H	H	7.589	0.020
51	1	6	ASP	HA	H	4.819	0.020
52	1	6	ASP	HB2	H	2.545	0.020
53	1	6	ASP	HB3	H	2.844	0.020
54	1	6	ASP	C	C	176.194	0.300
55	1	6	ASP	CA	C	54.186	0.300
56	1	6	ASP	CB	C	42.195	0.300
57	1	6	ASP	N	N	118.755	0.300
58	1	7	GLN	H	H	7.745	0.020
59	1	7	GLN	HA	H	4.597	0.020
60	1	7	GLN	HB2	H	2.143	0.020
61	1	7	GLN	HB3	H	2.278	0.020
62	1	7	GLN	HG2	H	2.356	0.020
63	1	7	GLN	HG3	H	2.712	0.020
64	1	7	GLN	HE21	H	7.179	0.020
65	1	7	GLN	HE22	H	6.920	0.020
66	1	7	GLN	CA	C	53.515	0.300
67	1	7	GLN	CB	C	27.590	0.300
68	1	7	GLN	CG	C	33.351	0.300
69	1	7	GLN	N	N	120.225	0.300
70	1	7	GLN	NE2	N	113.640	0.300
71	1	8	PRO	HA	H	4.398	0.020
72	1	8	PRO	HB2	H	1.843	0.020
73	1	8	PRO	HB3	H	2.184	0.020
74	1	8	PRO	HG2	H	1.897	0.020
75	1	8	PRO	HG3	H	2.041	0.020
76	1	8	PRO	HD2	H	3.748	0.020
77	1	8	PRO	HD3	H	3.748	0.020
78	1	8	PRO	C	C	175.416	0.300
79	1	8	PRO	CA	C	62.300	0.300
80	1	8	PRO	CB	C	32.998	0.300
81	1	8	PRO	CG	C	27.526	0.300
82	1	8	PRO	CD	C	50.381	0.300
83	1	9	ILE	H	H	8.554	0.020
84	1	9	ILE	HA	H	4.792	0.020
85	1	9	ILE	HB	H	1.679	0.020
86	1	9	ILE	HG12	H	0.710	0.020
87	1	9	ILE	HG13	H	1.774	0.020
88	1	9	ILE	HG21	H	0.694	0.020
89	1	9	ILE	HG22	H	0.694	0.020
90	1	9	ILE	HG23	H	0.694	0.020
91	1	9	ILE	HD11	H	0.632	0.020
92	1	9	ILE	HD12	H	0.632	0.020
93	1	9	ILE	HD13	H	0.632	0.020
94	1	9	ILE	C	C	174.789	0.300
95	1	9	ILE	CA	C	60.454	0.300
96	1	9	ILE	CB	C	39.402	0.300
97	1	9	ILE	CG1	C	28.528	0.300
98	1	9	ILE	CG2	C	17.490	0.300
99	1	9	ILE	CD1	C	14.464	0.300
100	1	9	ILE	N	N	120.730	0.300
101	1	10	HIS	H	H	9.269	0.020
102	1	10	HIS	HA	H	5.483	0.020
103	1	10	HIS	HB2	H	2.802	0.020
104	1	10	HIS	HB3	H	3.008	0.020
105	1	10	HIS	HE1	H	7.602	0.020
106	1	10	HIS	C	C	174.326	0.300
107	1	10	HIS	CA	C	55.015	0.300
108	1	10	HIS	CB	C	33.884	0.300
109	1	10	HIS	CE1	C	137.719	0.300
110	1	10	HIS	N	N	130.110	0.300
111	1	11	ILE	H	H	8.595	0.020
112	1	11	ILE	HA	H	4.856	0.020
113	1	11	ILE	HB	H	1.068	0.020
114	1	11	ILE	HG12	H	1.455	0.020
115	1	11	ILE	HG13	H	0.666	0.020
116	1	11	ILE	HG21	H	-0.350	0.020
117	1	11	ILE	HG22	H	-0.350	0.020
118	1	11	ILE	HG23	H	-0.350	0.020
119	1	11	ILE	HD11	H	0.365	0.020
120	1	11	ILE	HD12	H	0.365	0.020
121	1	11	ILE	HD13	H	0.365	0.020
122	1	11	ILE	C	C	173.141	0.300
123	1	11	ILE	CA	C	60.250	0.300
124	1	11	ILE	CB	C	40.726	0.300
125	1	11	ILE	CG1	C	28.588	0.300
126	1	11	ILE	CG2	C	15.751	0.300
127	1	11	ILE	CD1	C	14.214	0.300
128	1	11	ILE	N	N	125.911	0.300
129	1	12	GLU	H	H	8.653	0.020
130	1	12	GLU	HA	H	5.200	0.020
131	1	12	GLU	HB2	H	1.729	0.020
132	1	12	GLU	HB3	H	1.960	0.020
133	1	12	GLU	HG2	H	2.118	0.020
134	1	12	GLU	HG3	H	2.118	0.020
135	1	12	GLU	C	C	174.569	0.300
136	1	12	GLU	CA	C	53.988	0.300
137	1	12	GLU	CB	C	33.694	0.300
138	1	12	GLU	CG	C	36.795	0.300
139	1	12	GLU	N	N	127.623	0.300
140	1	13	SER	H	H	7.831	0.020
141	1	13	SER	HA	H	4.785	0.020
142	1	13	SER	HB2	H	3.826	0.020
143	1	13	SER	HB3	H	4.141	0.020
144	1	13	SER	HG	H	4.920	0.020
145	1	13	SER	C	C	172.757	0.300
146	1	13	SER	CA	C	57.797	0.300
147	1	13	SER	CB	C	67.600	0.300
148	1	13	SER	N	N	114.829	0.300
149	1	14	ASP	H	H	8.663	0.020
150	1	14	ASP	HA	H	4.713	0.020
151	1	14	ASP	HB2	H	2.847	0.020
152	1	14	ASP	HB3	H	3.092	0.020
153	1	14	ASP	C	C	176.205	0.300
154	1	14	ASP	CA	C	57.820	0.300
155	1	14	ASP	CB	C	40.511	0.300
156	1	14	ASP	N	N	121.934	0.300
157	1	15	GLN	H	H	8.467	0.020
158	1	15	GLN	HA	H	4.778	0.020
159	1	15	GLN	HB2	H	2.031	0.020
160	1	15	GLN	HB3	H	2.031	0.020
161	1	15	GLN	C	C	175.886	0.300
162	1	15	GLN	CA	C	54.731	0.300
163	1	15	GLN	CB	C	32.385	0.300
164	1	15	GLN	N	N	114.836	0.300
165	1	16	GLN	H	H	8.645	0.020
166	1	16	GLN	HA	H	5.231	0.020
167	1	16	GLN	HB2	H	1.423	0.020
168	1	16	GLN	HB3	H	2.014	0.020
169	1	16	GLN	HG2	H	1.999	0.020
170	1	16	GLN	HG3	H	1.999	0.020
171	1	16	GLN	HE21	H	7.144	0.020
172	1	16	GLN	HE22	H	6.604	0.020
173	1	16	GLN	C	C	173.631	0.300
174	1	16	GLN	CA	C	54.936	0.300
175	1	16	GLN	CB	C	31.295	0.300
176	1	16	GLN	CG	C	32.725	0.300
177	1	16	GLN	N	N	122.659	0.300
178	1	16	GLN	NE2	N	111.082	0.300
179	1	17	SER	H	H	8.392	0.020
180	1	17	SER	HA	H	4.543	0.020
181	1	17	SER	HB2	H	3.605	0.020
182	1	17	SER	HB3	H	3.605	0.020
183	1	17	SER	C	C	172.545	0.300
184	1	17	SER	CA	C	57.238	0.300
185	1	17	SER	CB	C	64.678	0.300
186	1	17	SER	N	N	115.519	0.300
187	1	18	LEU	H	H	8.763	0.020
188	1	18	LEU	HA	H	4.662	0.020
189	1	18	LEU	HB2	H	1.494	0.020
190	1	18	LEU	HB3	H	1.672	0.020
191	1	18	LEU	HG	H	1.648	0.020
192	1	18	LEU	HD11	H	0.896	0.020
193	1	18	LEU	HD12	H	0.896	0.020
194	1	18	LEU	HD13	H	0.896	0.020
195	1	18	LEU	HD21	H	0.925	0.020
196	1	18	LEU	HD22	H	0.925	0.020
197	1	18	LEU	HD23	H	0.925	0.020
198	1	18	LEU	C	C	175.791	0.300
199	1	18	LEU	CA	C	55.064	0.300
200	1	18	LEU	CB	C	44.171	0.300
201	1	18	LEU	CG	C	28.220	0.300
202	1	18	LEU	CD1	C	24.386	0.300
203	1	18	LEU	CD2	C	25.428	0.300
204	1	18	LEU	N	N	128.209	0.300
205	1	19	ASP	H	H	8.509	0.020
206	1	19	ASP	HA	H	4.793	0.020
207	1	19	ASP	HB2	H	2.634	0.020
208	1	19	ASP	HB3	H	2.772	0.020
209	1	19	ASP	CA	C	52.824	0.300
210	1	19	ASP	CB	C	41.855	0.300
211	1	19	ASP	N	N	123.638	0.300
212	1	20	MET	HA	H	4.230	0.020
213	1	20	MET	HB2	H	2.039	0.020
214	1	20	MET	HB3	H	2.148	0.020
215	1	20	MET	HG2	H	2.527	0.020
216	1	20	MET	HG3	H	2.654	0.020
217	1	20	MET	C	C	177.812	0.300
218	1	20	MET	CA	C	57.264	0.300
219	1	20	MET	CB	C	31.567	0.300
220	1	21	GLN	H	H	8.474	0.020
221	1	21	GLN	HA	H	4.148	0.020
222	1	21	GLN	HB2	H	2.155	0.020
223	1	21	GLN	HB3	H	2.155	0.020
224	1	21	GLN	HG2	H	2.353	0.020
225	1	21	GLN	HG3	H	2.353	0.020
226	1	21	GLN	C	C	176.754	0.300
227	1	21	GLN	CA	C	57.328	0.300
228	1	21	GLN	CB	C	28.045	0.300
229	1	21	GLN	CG	C	34.380	0.300
230	1	21	GLN	N	N	117.221	0.300
231	1	22	GLY	H	H	7.971	0.020
232	1	22	GLY	HA2	H	3.847	0.020
233	1	22	GLY	HA3	H	3.925	0.020
234	1	22	GLY	C	C	174.121	0.300
235	1	22	GLY	CA	C	45.193	0.300
236	1	22	GLY	N	N	106.321	0.300
237	1	23	ASN	H	H	8.153	0.020
238	1	23	ASN	HA	H	4.665	0.020
239	1	23	ASN	HB2	H	2.814	0.020
240	1	23	ASN	HB3	H	3.201	0.020
241	1	23	ASN	HD21	H	7.498	0.020
242	1	23	ASN	HD22	H	6.829	0.020
243	1	23	ASN	C	C	174.040	0.300
244	1	23	ASN	CA	C	54.376	0.300
245	1	23	ASN	CB	C	38.603	0.300
246	1	23	ASN	N	N	117.490	0.300
247	1	23	ASN	ND2	N	112.403	0.300
248	1	24	VAL	H	H	7.812	0.020
249	1	24	VAL	HA	H	4.896	0.020
250	1	24	VAL	HB	H	1.764	0.020
251	1	24	VAL	HG11	H	0.750	0.020
252	1	24	VAL	HG12	H	0.750	0.020
253	1	24	VAL	HG13	H	0.750	0.020
254	1	24	VAL	HG21	H	0.875	0.020
255	1	24	VAL	HG22	H	0.875	0.020
256	1	24	VAL	HG23	H	0.875	0.020
257	1	24	VAL	C	C	174.871	0.300
258	1	24	VAL	CA	C	61.581	0.300
259	1	24	VAL	CB	C	34.974	0.300
260	1	24	VAL	CG1	C	21.120	0.300
261	1	24	VAL	CG2	C	21.436	0.300
262	1	24	VAL	N	N	120.185	0.300
263	1	25	VAL	H	H	8.528	0.020
264	1	25	VAL	HA	H	4.617	0.020
265	1	25	VAL	HB	H	1.380	0.020
266	1	25	VAL	HG11	H	-0.031	0.020
267	1	25	VAL	HG12	H	-0.031	0.020
268	1	25	VAL	HG13	H	-0.031	0.020
269	1	25	VAL	HG21	H	0.062	0.020
270	1	25	VAL	HG22	H	0.062	0.020
271	1	25	VAL	HG23	H	0.062	0.020
272	1	25	VAL	C	C	172.392	0.300
273	1	25	VAL	CA	C	59.658	0.300
274	1	25	VAL	CB	C	34.034	0.300
275	1	25	VAL	CG1	C	20.841	0.300
276	1	25	VAL	CG2	C	20.771	0.300
277	1	25	VAL	N	N	126.554	0.300
278	1	26	THR	H	H	8.159	0.020
279	1	26	THR	HA	H	4.834	0.020
280	1	26	THR	HB	H	3.711	0.020
281	1	26	THR	HG21	H	0.992	0.020
282	1	26	THR	HG22	H	0.992	0.020
283	1	26	THR	HG23	H	0.992	0.020
284	1	26	THR	C	C	173.133	0.300
285	1	26	THR	CA	C	61.749	0.300
286	1	26	THR	CB	C	70.026	0.300
287	1	26	THR	CG2	C	21.363	0.300
288	1	26	THR	N	N	121.304	0.300
289	1	27	PHE	H	H	10.045	0.020
290	1	27	PHE	HA	H	5.097	0.020
291	1	27	PHE	HB2	H	2.837	0.020
292	1	27	PHE	HB3	H	3.154	0.020
293	1	27	PHE	HD1	H	7.078	0.020
294	1	27	PHE	HD2	H	7.078	0.020
295	1	27	PHE	HE1	H	6.582	0.020
296	1	27	PHE	HE2	H	6.582	0.020
297	1	27	PHE	HZ	H	6.344	0.020
298	1	27	PHE	C	C	175.210	0.300
299	1	27	PHE	CA	C	56.423	0.300
300	1	27	PHE	CB	C	41.325	0.300
301	1	27	PHE	CD1	C	133.689	0.300
302	1	27	PHE	CE1	C	130.453	0.300
303	1	27	PHE	CZ	C	129.225	0.300
304	1	27	PHE	N	N	128.184	0.300
305	1	28	THR	H	H	8.338	0.020
306	1	28	THR	HA	H	5.171	0.020
307	1	28	THR	HB	H	4.166	0.020
308	1	28	THR	HG21	H	1.127	0.020
309	1	28	THR	HG22	H	1.127	0.020
310	1	28	THR	HG23	H	1.127	0.020
311	1	28	THR	C	C	173.850	0.300
312	1	28	THR	CA	C	60.337	0.300
313	1	28	THR	CB	C	72.517	0.300
314	1	28	THR	CG2	C	22.501	0.300
315	1	28	THR	N	N	113.015	0.300
316	1	29	GLY	H	H	8.233	0.020
317	1	29	GLY	HA2	H	3.651	0.020
318	1	29	GLY	HA3	H	4.375	0.020
319	1	29	GLY	C	C	172.913	0.300
320	1	29	GLY	CA	C	46.692	0.300
321	1	29	GLY	N	N	110.395	0.300
322	1	30	ASN	H	H	9.597	0.020
323	1	30	ASN	HA	H	4.303	0.020
324	1	30	ASN	HB2	H	2.573	0.020
325	1	30	ASN	HB3	H	2.865	0.020
326	1	30	ASN	HD21	H	7.768	0.020
327	1	30	ASN	HD22	H	6.769	0.020
328	1	30	ASN	C	C	173.959	0.300
329	1	30	ASN	CA	C	53.808	0.300
330	1	30	ASN	CB	C	37.610	0.300
331	1	30	ASN	N	N	124.806	0.300
332	1	30	ASN	ND2	N	112.375	0.300
333	1	31	VAL	H	H	8.512	0.020
334	1	31	VAL	HA	H	4.477	0.020
335	1	31	VAL	HB	H	1.919	0.020
336	1	31	VAL	HG11	H	0.687	0.020
337	1	31	VAL	HG12	H	0.687	0.020
338	1	31	VAL	HG13	H	0.687	0.020
339	1	31	VAL	HG21	H	0.770	0.020
340	1	31	VAL	HG22	H	0.770	0.020
341	1	31	VAL	HG23	H	0.770	0.020
342	1	31	VAL	C	C	177.050	0.300
343	1	31	VAL	CA	C	62.971	0.300
344	1	31	VAL	CB	C	31.468	0.300
345	1	31	VAL	CG1	C	22.961	0.300
346	1	31	VAL	CG2	C	20.939	0.300
347	1	31	VAL	N	N	120.526	0.300
348	1	32	ILE	H	H	8.913	0.020
349	1	32	ILE	HA	H	4.921	0.020
350	1	32	ILE	HB	H	1.615	0.020
351	1	32	ILE	HG13	H	1.442	0.020
352	1	32	ILE	HG21	H	0.759	0.020
353	1	32	ILE	HG22	H	0.759	0.020
354	1	32	ILE	HG23	H	0.759	0.020
355	1	32	ILE	HD11	H	0.756	0.020
356	1	32	ILE	HD12	H	0.756	0.020
357	1	32	ILE	HD13	H	0.756	0.020
358	1	32	ILE	C	C	175.750	0.300
359	1	32	ILE	CA	C	60.655	0.300
360	1	32	ILE	CB	C	40.776	0.300
361	1	32	ILE	CG1	C	27.235	0.300
362	1	32	ILE	CG2	C	17.662	0.300
363	1	32	ILE	CD1	C	13.657	0.300
364	1	32	ILE	N	N	127.899	0.300
365	1	33	VAL	H	H	9.506	0.020
366	1	33	VAL	HA	H	4.792	0.020
367	1	33	VAL	HB	H	2.154	0.020
368	1	33	VAL	HG11	H	0.743	0.020
369	1	33	VAL	HG12	H	0.743	0.020
370	1	33	VAL	HG13	H	0.743	0.020
371	1	33	VAL	HG21	H	0.743	0.020
372	1	33	VAL	HG22	H	0.743	0.020
373	1	33	VAL	HG23	H	0.743	0.020
374	1	33	VAL	C	C	174.861	0.300
375	1	33	VAL	CA	C	60.552	0.300
376	1	33	VAL	CB	C	33.248	0.300
377	1	33	VAL	N	N	130.753	0.300
378	1	34	THR	H	H	9.587	0.020
379	1	34	THR	HA	H	5.431	0.020
380	1	34	THR	HB	H	4.132	0.020
381	1	34	THR	HG21	H	1.184	0.020
382	1	34	THR	HG22	H	1.184	0.020
383	1	34	THR	HG23	H	1.184	0.020
384	1	34	THR	C	C	173.818	0.300
385	1	34	THR	CA	C	59.802	0.300
386	1	34	THR	CB	C	71.844	0.300
387	1	34	THR	CG2	C	22.198	0.300
388	1	34	THR	N	N	119.633	0.300
389	1	35	GLN	H	H	8.468	0.020
390	1	35	GLN	HA	H	4.670	0.020
391	1	35	GLN	HB2	H	2.330	0.020
392	1	35	GLN	HB3	H	2.330	0.020
393	1	35	GLN	HG2	H	2.094	0.020
394	1	35	GLN	HG3	H	2.094	0.020
395	1	35	GLN	HE21	H	7.562	0.020
396	1	35	GLN	HE22	H	6.589	0.020
397	1	35	GLN	C	C	175.416	0.300
398	1	35	GLN	CA	C	55.155	0.300
399	1	35	GLN	CB	C	29.347	0.300
400	1	35	GLN	CG	C	32.724	0.300
401	1	35	GLN	N	N	124.897	0.300
402	1	35	GLN	NE2	N	108.484	0.300
403	1	36	GLY	H	H	9.291	0.020
404	1	36	GLY	HA2	H	3.602	0.020
405	1	36	GLY	HA3	H	4.324	0.020
406	1	36	GLY	C	C	175.977	0.300
407	1	36	GLY	CA	C	46.863	0.300
408	1	36	GLY	N	N	117.002	0.300
409	1	37	THR	H	H	9.698	0.020
410	1	37	THR	HA	H	4.344	0.020
411	1	37	THR	HB	H	4.447	0.020
412	1	37	THR	HG21	H	1.415	0.020
413	1	37	THR	HG22	H	1.415	0.020
414	1	37	THR	HG23	H	1.415	0.020
415	1	37	THR	C	C	174.988	0.300
416	1	37	THR	CA	C	63.072	0.300
417	1	37	THR	CB	C	69.681	0.300
418	1	37	THR	CG2	C	21.938	0.300
419	1	37	THR	N	N	121.710	0.300
420	1	38	ILE	H	H	8.152	0.020
421	1	38	ILE	HA	H	4.532	0.020
422	1	38	ILE	HB	H	2.318	0.020
423	1	38	ILE	HG21	H	0.657	0.020
424	1	38	ILE	HG22	H	0.657	0.020
425	1	38	ILE	HG23	H	0.657	0.020
426	1	38	ILE	HD11	H	0.883	0.020
427	1	38	ILE	HD12	H	0.883	0.020
428	1	38	ILE	HD13	H	0.883	0.020
429	1	38	ILE	C	C	177.022	0.300
430	1	38	ILE	CA	C	62.087	0.300
431	1	38	ILE	CB	C	37.436	0.300
432	1	38	ILE	CG1	C	29.029	0.300
433	1	38	ILE	CG2	C	15.974	0.300
434	1	38	ILE	CD1	C	13.876	0.300
435	1	38	ILE	N	N	123.151	0.300
436	1	39	LYS	H	H	8.925	0.020
437	1	39	LYS	HA	H	5.338	0.020
438	1	39	LYS	HB2	H	1.503	0.020
439	1	39	LYS	HB3	H	1.503	0.020
440	1	39	LYS	HG2	H	1.147	0.020
441	1	39	LYS	HG3	H	1.147	0.020
442	1	39	LYS	C	C	176.396	0.300
443	1	39	LYS	CA	C	54.778	0.300
444	1	39	LYS	CB	C	35.887	0.300
445	1	39	LYS	CG	C	24.455	0.300
446	1	39	LYS	CD	C	28.847	0.300
447	1	39	LYS	CE	C	41.775	0.300
448	1	39	LYS	N	N	128.103	0.300
449	1	40	ILE	H	H	9.487	0.020
450	1	40	ILE	HA	H	5.169	0.020
451	1	40	ILE	HB	H	1.537	0.020
452	1	40	ILE	HG12	H	1.231	0.020
453	1	40	ILE	HG21	H	0.838	0.020
454	1	40	ILE	HG22	H	0.838	0.020
455	1	40	ILE	HG23	H	0.838	0.020
456	1	40	ILE	HD11	H	0.761	0.020
457	1	40	ILE	HD12	H	0.761	0.020
458	1	40	ILE	HD13	H	0.761	0.020
459	1	40	ILE	C	C	174.264	0.300
460	1	40	ILE	CA	C	59.432	0.300
461	1	40	ILE	CB	C	42.474	0.300
462	1	40	ILE	CG1	C	28.493	0.300
463	1	40	ILE	CG2	C	15.522	0.300
464	1	40	ILE	CD1	C	12.790	0.300
465	1	40	ILE	N	N	128.225	0.300
466	1	41	ASN	H	H	8.304	0.020
467	1	41	ASN	HA	H	5.686	0.020
468	1	41	ASN	HB2	H	2.664	0.020
469	1	41	ASN	HB3	H	2.916	0.020
470	1	41	ASN	HD21	H	7.240	0.020
471	1	41	ASN	HD22	H	6.597	0.020
472	1	41	ASN	C	C	173.453	0.300
473	1	41	ASN	CA	C	51.802	0.300
474	1	41	ASN	CB	C	40.628	0.300
475	1	41	ASN	N	N	125.246	0.300
476	1	41	ASN	ND2	N	111.076	0.300
477	1	42	ALA	H	H	8.649	0.020
478	1	42	ALA	HA	H	4.789	0.020
479	1	42	ALA	HB1	H	1.280	0.020
480	1	42	ALA	HB2	H	1.280	0.020
481	1	42	ALA	HB3	H	1.280	0.020
482	1	42	ALA	C	C	174.594	0.300
483	1	42	ALA	CA	C	51.189	0.300
484	1	42	ALA	CB	C	22.109	0.300
485	1	42	ALA	N	N	122.757	0.300
486	1	43	ASP	H	H	8.420	0.020
487	1	43	ASP	HA	H	4.918	0.020
488	1	43	ASP	HB2	H	2.746	0.020
489	1	43	ASP	HB3	H	2.902	0.020
490	1	43	ASP	C	C	176.182	0.300
491	1	43	ASP	CA	C	56.771	0.300
492	1	43	ASP	CB	C	42.338	0.300
493	1	43	ASP	N	N	118.725	0.300
494	1	44	LYS	H	H	7.994	0.020
495	1	44	LYS	HA	H	5.468	0.020
496	1	44	LYS	HB2	H	1.756	0.020
497	1	44	LYS	HB3	H	1.912	0.020
498	1	44	LYS	HG2	H	1.447	0.020
499	1	44	LYS	HG3	H	1.447	0.020
500	1	44	LYS	C	C	174.595	0.300
501	1	44	LYS	CA	C	54.663	0.300
502	1	44	LYS	CB	C	35.914	0.300
503	1	44	LYS	CG	C	24.707	0.300
504	1	44	LYS	CD	C	29.603	0.300
505	1	44	LYS	CE	C	42.263	0.300
506	1	44	LYS	N	N	119.410	0.300
507	1	45	VAL	H	H	9.714	0.020
508	1	45	VAL	HA	H	5.617	0.020
509	1	45	VAL	HB	H	1.948	0.020
510	1	45	VAL	HG11	H	0.826	0.020
511	1	45	VAL	HG12	H	0.826	0.020
512	1	45	VAL	HG13	H	0.826	0.020
513	1	45	VAL	HG21	H	0.848	0.020
514	1	45	VAL	HG22	H	0.848	0.020
515	1	45	VAL	HG23	H	0.848	0.020
516	1	45	VAL	C	C	173.222	0.300
517	1	45	VAL	CA	C	59.928	0.300
518	1	45	VAL	CB	C	36.677	0.300
519	1	45	VAL	CG1	C	23.482	0.300
520	1	45	VAL	CG2	C	22.073	0.300
521	1	45	VAL	N	N	127.287	0.300
522	1	46	VAL	H	H	9.788	0.020
523	1	46	VAL	HA	H	4.978	0.020
524	1	46	VAL	HB	H	2.192	0.020
525	1	46	VAL	HG11	H	0.869	0.020
526	1	46	VAL	HG12	H	0.869	0.020
527	1	46	VAL	HG13	H	0.869	0.020
528	1	46	VAL	HG21	H	0.869	0.020
529	1	46	VAL	HG22	H	0.869	0.020
530	1	46	VAL	HG23	H	0.869	0.020
531	1	46	VAL	C	C	176.083	0.300
532	1	46	VAL	CA	C	60.968	0.300
533	1	46	VAL	CB	C	34.667	0.300
534	1	46	VAL	CG2	C	21.390	0.300
535	1	46	VAL	N	N	129.125	0.300
536	1	47	VAL	H	H	9.253	0.020
537	1	47	VAL	HA	H	5.138	0.020
538	1	47	VAL	HB	H	1.778	0.020
539	1	47	VAL	HG11	H	0.680	0.020
540	1	47	VAL	HG12	H	0.680	0.020
541	1	47	VAL	HG13	H	0.680	0.020
542	1	47	VAL	HG21	H	0.859	0.020
543	1	47	VAL	HG22	H	0.859	0.020
544	1	47	VAL	HG23	H	0.859	0.020
545	1	47	VAL	C	C	173.944	0.300
546	1	47	VAL	CA	C	60.883	0.300
547	1	47	VAL	CB	C	32.657	0.300
548	1	47	VAL	CG1	C	20.989	0.300
549	1	47	VAL	CG2	C	21.960	0.300
550	1	47	VAL	N	N	129.813	0.300
551	1	48	THR	H	H	8.667	0.020
552	1	48	THR	HA	H	4.987	0.020
553	1	48	THR	HB	H	3.998	0.020
554	1	48	THR	HG21	H	1.108	0.020
555	1	48	THR	HG22	H	1.108	0.020
556	1	48	THR	HG23	H	1.108	0.020
557	1	48	THR	C	C	173.629	0.300
558	1	48	THR	CA	C	60.413	0.300
559	1	48	THR	CB	C	71.735	0.300
560	1	48	THR	CG2	C	21.297	0.300
561	1	48	THR	N	N	118.700	0.300
562	1	49	ARG	H	H	8.645	0.020
563	1	49	ARG	HA	H	4.672	0.020
564	1	49	ARG	HB2	H	1.757	0.020
565	1	49	ARG	HB3	H	1.872	0.020
566	1	49	ARG	HG2	H	1.274	0.020
567	1	49	ARG	HG3	H	1.274	0.020
568	1	49	ARG	CA	C	53.233	0.300
569	1	49	ARG	CB	C	31.090	0.300
570	1	49	ARG	CD	C	42.554	0.300
571	1	49	ARG	N	N	123.783	0.300
572	1	50	PRO	HA	H	4.314	0.020
573	1	50	PRO	HB2	H	1.878	0.020
574	1	50	PRO	HB3	H	2.256	0.020
575	1	50	PRO	HG2	H	1.903	0.020
576	1	50	PRO	HG3	H	2.129	0.020
577	1	50	PRO	HD2	H	3.721	0.020
578	1	50	PRO	HD3	H	3.613	0.020
579	1	50	PRO	CA	C	64.055	0.300
580	1	50	PRO	CB	C	31.407	0.300
581	1	50	PRO	CG	C	27.672	0.300
582	1	50	PRO	CD	C	50.811	0.300
583	1	51	GLY	HA2	H	3.870	0.020
584	1	51	GLY	HA3	H	3.974	0.020
585	1	51	GLY	C	C	174.856	0.300
586	1	51	GLY	CA	C	45.806	0.300
587	1	52	GLY	H	H	8.411	0.020
588	1	52	GLY	HA2	H	3.502	0.020
589	1	52	GLY	HA3	H	4.035	0.020
590	1	52	GLY	C	C	173.946	0.300
591	1	52	GLY	CA	C	45.877	0.300
592	1	52	GLY	N	N	107.956	0.300
593	1	53	GLU	H	H	7.280	0.020
594	1	53	GLU	HA	H	4.127	0.020
595	1	53	GLU	HB2	H	1.820	0.020
596	1	53	GLU	HB3	H	1.820	0.020
597	1	53	GLU	HG2	H	2.010	0.020
598	1	53	GLU	HG3	H	2.177	0.020
599	1	53	GLU	C	C	174.630	0.300
600	1	53	GLU	CA	C	56.287	0.300
601	1	53	GLU	CB	C	29.945	0.300
602	1	53	GLU	CG	C	36.140	0.300
603	1	53	GLU	N	N	120.885	0.300
604	1	54	GLN	H	H	8.507	0.020
605	1	54	GLN	HA	H	4.005	0.020
606	1	54	GLN	HB2	H	1.942	0.020
607	1	54	GLN	HB3	H	1.942	0.020
608	1	54	GLN	HG2	H	2.244	0.020
609	1	54	GLN	HG3	H	2.244	0.020
610	1	54	GLN	C	C	177.118	0.300
611	1	54	GLN	CA	C	57.171	0.300
612	1	54	GLN	CB	C	28.161	0.300
613	1	54	GLN	CG	C	33.874	0.300
614	1	54	GLN	N	N	126.104	0.300
615	1	55	GLY	H	H	9.387	0.020
616	1	55	GLY	HA2	H	3.935	0.020
617	1	55	GLY	HA3	H	4.295	0.020
618	1	55	GLY	C	C	174.298	0.300
619	1	55	GLY	CA	C	45.005	0.300
620	1	55	GLY	N	N	114.252	0.300
621	1	56	LYS	H	H	7.211	0.020
622	1	56	LYS	HA	H	4.654	0.020
623	1	56	LYS	HB2	H	1.686	0.020
624	1	56	LYS	HB3	H	2.024	0.020
625	1	56	LYS	HG2	H	1.064	0.020
626	1	56	LYS	HG3	H	1.274	0.020
627	1	56	LYS	C	C	175.847	0.300
628	1	56	LYS	CA	C	53.903	0.300
629	1	56	LYS	CB	C	31.363	0.300
630	1	56	LYS	CG	C	24.863	0.300
631	1	56	LYS	N	N	117.631	0.300
632	1	57	GLU	H	H	8.534	0.020
633	1	57	GLU	HA	H	4.718	0.020
634	1	57	GLU	HB2	H	1.643	0.020
635	1	57	GLU	HB3	H	2.219	0.020
636	1	57	GLU	HG2	H	2.464	0.020
637	1	57	GLU	HG3	H	2.464	0.020
638	1	57	GLU	C	C	175.906	0.300
639	1	57	GLU	CA	C	59.228	0.300
640	1	57	GLU	CB	C	28.365	0.300
641	1	57	GLU	CG	C	37.239	0.300
642	1	57	GLU	N	N	117.231	0.300
643	1	58	VAL	H	H	8.675	0.020
644	1	58	VAL	HA	H	4.487	0.020
645	1	58	VAL	HB	H	1.885	0.020
646	1	58	VAL	HG11	H	0.641	0.020
647	1	58	VAL	HG12	H	0.641	0.020
648	1	58	VAL	HG13	H	0.641	0.020
649	1	58	VAL	HG21	H	0.886	0.020
650	1	58	VAL	HG22	H	0.886	0.020
651	1	58	VAL	HG23	H	0.886	0.020
652	1	58	VAL	C	C	174.380	0.300
653	1	58	VAL	CA	C	60.999	0.300
654	1	58	VAL	CB	C	34.879	0.300
655	1	58	VAL	CG1	C	22.419	0.300
656	1	58	VAL	CG2	C	21.051	0.300
657	1	58	VAL	N	N	120.547	0.300
658	1	59	ILE	H	H	8.617	0.020
659	1	59	ILE	HA	H	4.735	0.020
660	1	59	ILE	HB	H	1.872	0.020
661	1	59	ILE	HG12	H	0.972	0.020
662	1	59	ILE	HG13	H	1.496	0.020
663	1	59	ILE	HG21	H	0.743	0.020
664	1	59	ILE	HG22	H	0.743	0.020
665	1	59	ILE	HG23	H	0.743	0.020
666	1	59	ILE	HD11	H	0.747	0.020
667	1	59	ILE	HD12	H	0.747	0.020
668	1	59	ILE	HD13	H	0.747	0.020
669	1	59	ILE	C	C	174.002	0.300
670	1	59	ILE	CA	C	60.438	0.300
671	1	59	ILE	CB	C	40.589	0.300
672	1	59	ILE	CG1	C	27.846	0.300
673	1	59	ILE	CG2	C	16.769	0.300
674	1	59	ILE	CD1	C	13.758	0.300
675	1	59	ILE	N	N	125.044	0.300
676	1	60	ASP	H	H	9.178	0.020
677	1	60	ASP	HA	H	6.009	0.020
678	1	60	ASP	HB2	H	2.376	0.020
679	1	60	ASP	HB3	H	2.620	0.020
680	1	60	ASP	C	C	174.859	0.300
681	1	60	ASP	CA	C	53.369	0.300
682	1	60	ASP	CB	C	45.189	0.300
683	1	60	ASP	N	N	127.428	0.300
684	1	61	GLY	H	H	9.575	0.020
685	1	61	GLY	HA2	H	2.940	0.020
686	1	61	GLY	HA3	H	5.471	0.020
687	1	61	GLY	C	C	170.780	0.300
688	1	61	GLY	CA	C	43.900	0.300
689	1	61	GLY	N	N	107.820	0.300
690	1	62	TYR	H	H	9.241	0.020
691	1	62	TYR	HA	H	5.557	0.020
692	1	62	TYR	HB2	H	2.882	0.020
693	1	62	TYR	HB3	H	3.336	0.020
694	1	62	TYR	HD1	H	7.121	0.020
695	1	62	TYR	HD2	H	7.121	0.020
696	1	62	TYR	C	C	175.683	0.300
697	1	62	TYR	CA	C	56.415	0.300
698	1	62	TYR	CB	C	41.203	0.300
699	1	62	TYR	CD1	C	133.653	0.300
700	1	62	TYR	N	N	120.859	0.300
701	1	63	GLY	H	H	8.840	0.020
702	1	63	GLY	HA2	H	3.857	0.020
703	1	63	GLY	HA3	H	4.553	0.020
704	1	63	GLY	C	C	170.496	0.300
705	1	63	GLY	CA	C	45.493	0.300
706	1	63	GLY	N	N	111.087	0.300
707	1	64	LYS	H	H	8.758	0.020
708	1	64	LYS	HA	H	4.952	0.020
709	1	64	LYS	HB2	H	1.651	0.020
710	1	64	LYS	HB3	H	1.651	0.020
711	1	64	LYS	HG2	H	1.377	0.020
712	1	64	LYS	HG3	H	1.424	0.020
713	1	64	LYS	HD2	H	1.840	0.020
714	1	64	LYS	HD3	H	1.840	0.020
715	1	64	LYS	HE2	H	3.012	0.020
716	1	64	LYS	HE3	H	3.012	0.020
717	1	64	LYS	CA	C	53.278	0.300
718	1	64	LYS	CB	C	32.862	0.300
719	1	64	LYS	CG	C	24.275	0.300
720	1	64	LYS	CD	C	29.480	0.300
721	1	64	LYS	CE	C	42.191	0.300
722	1	64	LYS	N	N	119.033	0.300
723	1	65	PRO	HA	H	4.423	0.020
724	1	65	PRO	HB2	H	2.101	0.020
725	1	65	PRO	HB3	H	2.404	0.020
726	1	65	PRO	HG2	H	1.424	0.020
727	1	65	PRO	HG3	H	1.496	0.020
728	1	65	PRO	HD2	H	3.412	0.020
729	1	65	PRO	HD3	H	3.354	0.020
730	1	65	PRO	C	C	178.316	0.300
731	1	65	PRO	CA	C	62.971	0.300
732	1	65	PRO	CB	C	33.219	0.300
733	1	65	PRO	CG	C	23.039	0.300
734	1	65	PRO	CD	C	50.168	0.300
735	1	66	ALA	H	H	8.501	0.020
736	1	66	ALA	HA	H	4.841	0.020
737	1	66	ALA	HB1	H	1.282	0.020
738	1	66	ALA	HB2	H	1.282	0.020
739	1	66	ALA	HB3	H	1.282	0.020
740	1	66	ALA	C	C	177.350	0.300
741	1	66	ALA	CA	C	52.142	0.300
742	1	66	ALA	CB	C	18.689	0.300
743	1	66	ALA	N	N	120.073	0.300
744	1	67	THR	H	H	8.974	0.020
745	1	67	THR	HA	H	5.350	0.020
746	1	67	THR	HB	H	4.540	0.020
747	1	67	THR	HG21	H	1.104	0.020
748	1	67	THR	HG22	H	1.104	0.020
749	1	67	THR	HG23	H	1.104	0.020
750	1	67	THR	C	C	172.454	0.300
751	1	67	THR	CA	C	60.598	0.300
752	1	67	THR	CB	C	72.001	0.300
753	1	67	THR	CG2	C	20.988	0.300
754	1	67	THR	N	N	108.905	0.300
755	1	68	PHE	H	H	8.769	0.020
756	1	68	PHE	HA	H	5.102	0.020
757	1	68	PHE	HB2	H	2.207	0.020
758	1	68	PHE	HB3	H	3.087	0.020
759	1	68	PHE	HD1	H	6.603	0.020
760	1	68	PHE	HD2	H	6.603	0.020
761	1	68	PHE	C	C	172.347	0.300
762	1	68	PHE	CA	C	56.884	0.300
763	1	68	PHE	CB	C	44.080	0.300
764	1	68	PHE	CD1	C	130.065	0.300
765	1	68	PHE	N	N	121.295	0.300
766	1	69	TYR	H	H	7.638	0.020
767	1	69	TYR	HA	H	5.064	0.020
768	1	69	TYR	HB2	H	2.666	0.020
769	1	69	TYR	HB3	H	2.959	0.020
770	1	69	TYR	HD1	H	7.077	0.020
771	1	69	TYR	HD2	H	7.077	0.020
772	1	69	TYR	HE1	H	6.591	0.020
773	1	69	TYR	HE2	H	6.591	0.020
774	1	69	TYR	C	C	172.275	0.300
775	1	69	TYR	CA	C	56.253	0.300
776	1	69	TYR	CB	C	43.092	0.300
777	1	69	TYR	CD1	C	133.578	0.300
778	1	69	TYR	CE1	C	117.603	0.300
779	1	69	TYR	N	N	131.562	0.300
780	1	70	GLN	H	H	7.639	0.020
781	1	70	GLN	HA	H	4.000	0.020
782	1	70	GLN	HB2	H	1.631	0.020
783	1	70	GLN	HB3	H	1.631	0.020
784	1	70	GLN	HE21	H	8.445	0.020
785	1	70	GLN	C	C	173.277	0.300
786	1	70	GLN	CA	C	55.719	0.300
787	1	70	GLN	CB	C	31.567	0.300
788	1	70	GLN	CG	C	33.509	0.300
789	1	70	GLN	N	N	123.728	0.300
790	1	71	MET	H	H	8.377	0.020
791	1	71	MET	HA	H	4.548	0.020
792	1	71	MET	HB2	H	2.099	0.020
793	1	71	MET	HB3	H	2.333	0.020
794	1	71	MET	C	C	175.415	0.300
795	1	71	MET	CA	C	53.991	0.300
796	1	71	MET	CB	C	31.431	0.300
797	1	71	MET	N	N	124.118	0.300
798	1	72	GLN	H	H	7.920	0.020
799	1	72	GLN	HA	H	4.316	0.020
800	1	72	GLN	HB2	H	1.957	0.020
801	1	72	GLN	HB3	H	2.050	0.020
802	1	72	GLN	C	C	177.904	0.300
803	1	72	GLN	CA	C	56.139	0.300
804	1	72	GLN	CB	C	29.732	0.300
805	1	72	GLN	CG	C	36.570	0.300
806	1	72	GLN	N	N	124.231	0.300
807	1	73	ASP	H	H	9.104	0.020
808	1	73	ASP	HA	H	4.358	0.020
809	1	73	ASP	HB2	H	2.645	0.020
810	1	73	ASP	HB3	H	2.693	0.020
811	1	73	ASP	C	C	176.310	0.300
812	1	73	ASP	CA	C	56.402	0.300
813	1	73	ASP	CB	C	40.238	0.300
814	1	73	ASP	N	N	121.586	0.300
815	1	74	ASN	H	H	7.754	0.020
816	1	74	ASN	HA	H	4.494	0.020
817	1	74	ASN	HB2	H	2.786	0.020
818	1	74	ASN	HB3	H	3.119	0.020
819	1	74	ASN	HD21	H	7.446	0.020
820	1	74	ASN	HD22	H	6.536	0.020
821	1	74	ASN	C	C	176.353	0.300
822	1	74	ASN	CA	C	52.969	0.300
823	1	74	ASN	CB	C	37.248	0.300
824	1	74	ASN	N	N	115.041	0.300
825	1	74	ASN	ND2	N	109.026	0.300
826	1	75	GLY	H	H	8.263	0.020
827	1	75	GLY	HA2	H	3.797	0.020
828	1	75	GLY	HA3	H	4.124	0.020
829	1	75	GLY	C	C	173.750	0.300
830	1	75	GLY	CA	C	45.738	0.300
831	1	75	GLY	N	N	107.678	0.300
832	1	76	LYS	H	H	7.681	0.020
833	1	76	LYS	HA	H	4.810	0.020
834	1	76	LYS	HB2	H	1.776	0.020
835	1	76	LYS	HB3	H	1.776	0.020
836	1	76	LYS	HG2	H	1.552	0.020
837	1	76	LYS	HG3	H	1.552	0.020
838	1	76	LYS	HD2	H	1.634	0.020
839	1	76	LYS	HD3	H	1.634	0.020
840	1	76	LYS	CA	C	52.212	0.300
841	1	76	LYS	CB	C	32.998	0.300
842	1	76	LYS	CG	C	24.865	0.300
843	1	76	LYS	CD	C	29.079	0.300
844	1	76	LYS	CE	C	42.626	0.300
845	1	76	LYS	N	N	120.863	0.300
846	1	77	PRO	HA	H	4.949	0.020
847	1	77	PRO	HB2	H	1.510	0.020
848	1	77	PRO	HB3	H	1.959	0.020
849	1	77	PRO	HG2	H	2.042	0.020
850	1	77	PRO	HG3	H	2.042	0.020
851	1	77	PRO	HD2	H	3.699	0.020
852	1	77	PRO	HD3	H	3.699	0.020
853	1	77	PRO	C	C	177.323	0.300
854	1	77	PRO	CA	C	62.485	0.300
855	1	77	PRO	CB	C	32.910	0.300
856	1	77	PRO	CG	C	26.782	0.300
857	1	77	PRO	CD	C	50.382	0.300
858	1	78	VAL	H	H	8.816	0.020
859	1	78	VAL	HA	H	4.785	0.020
860	1	78	VAL	HB	H	1.629	0.020
861	1	78	VAL	HG11	H	0.599	0.020
862	1	78	VAL	HG12	H	0.599	0.020
863	1	78	VAL	HG13	H	0.599	0.020
864	1	78	VAL	HG21	H	0.599	0.020
865	1	78	VAL	HG22	H	0.599	0.020
866	1	78	VAL	HG23	H	0.599	0.020
867	1	78	VAL	C	C	172.868	0.300
868	1	78	VAL	CA	C	59.841	0.300
869	1	78	VAL	CB	C	33.913	0.300
870	1	78	VAL	CG1	C	20.525	0.300
871	1	78	VAL	CG2	C	21.605	0.300
872	1	78	VAL	N	N	121.883	0.300
873	1	79	GLU	H	H	8.192	0.020
874	1	79	GLU	HA	H	5.396	0.020
875	1	79	GLU	HB2	H	1.994	0.020
876	1	79	GLU	HB3	H	2.176	0.020
877	1	79	GLU	HG2	H	2.187	0.020
878	1	79	GLU	HG3	H	2.333	0.020
879	1	79	GLU	C	C	175.438	0.300
880	1	79	GLU	CA	C	54.044	0.300
881	1	79	GLU	CB	C	34.360	0.300
882	1	79	GLU	CG	C	37.367	0.300
883	1	79	GLU	N	N	121.936	0.300
884	1	80	GLY	H	H	9.286	0.020
885	1	80	GLY	HA2	H	4.129	0.020
886	1	80	GLY	HA3	H	4.891	0.020
887	1	80	GLY	C	C	172.229	0.300
888	1	80	GLY	CA	C	45.948	0.300
889	1	80	GLY	N	N	109.068	0.300
890	1	81	HIS	H	H	9.004	0.020
891	1	81	HIS	HA	H	5.499	0.020
892	1	81	HIS	HB2	H	3.124	0.020
893	1	81	HIS	HB3	H	3.304	0.020
894	1	81	HIS	HE1	H	7.448	0.020
895	1	81	HIS	C	C	172.106	0.300
896	1	81	HIS	CA	C	54.936	0.300
897	1	81	HIS	CB	C	32.683	0.300
898	1	81	HIS	CE1	C	138.075	0.300
899	1	81	HIS	N	N	116.406	0.300
900	1	82	ALA	H	H	8.700	0.020
901	1	82	ALA	HA	H	4.686	0.020
902	1	82	ALA	HB1	H	1.467	0.020
903	1	82	ALA	HB2	H	1.467	0.020
904	1	82	ALA	HB3	H	1.467	0.020
905	1	82	ALA	C	C	175.890	0.300
906	1	82	ALA	CA	C	52.146	0.300
907	1	82	ALA	CB	C	22.917	0.300
908	1	82	ALA	N	N	118.510	0.300
909	1	83	SER	H	H	9.204	0.020
910	1	83	SER	HA	H	4.952	0.020
911	1	83	SER	HB2	H	4.274	0.020
912	1	83	SER	HB3	H	4.351	0.020
913	1	83	SER	C	C	174.155	0.300
914	1	83	SER	CA	C	61.851	0.300
915	1	83	SER	CB	C	63.487	0.300
916	1	83	SER	N	N	117.379	0.300
917	1	84	GLN	H	H	8.657	0.020
918	1	84	GLN	HA	H	5.357	0.020
919	1	84	GLN	HB2	H	1.859	0.020
920	1	84	GLN	HB3	H	2.004	0.020
921	1	84	GLN	HG2	H	2.176	0.020
922	1	84	GLN	HG3	H	2.176	0.020
923	1	84	GLN	C	C	174.267	0.300
924	1	84	GLN	CA	C	54.005	0.300
925	1	84	GLN	CB	C	31.563	0.300
926	1	84	GLN	N	N	118.877	0.300
927	1	85	MET	H	H	9.006	0.020
928	1	85	MET	HA	H	5.205	0.020
929	1	85	MET	HB2	H	1.555	0.020
930	1	85	MET	HB3	H	1.608	0.020
931	1	85	MET	HG2	H	2.262	0.020
932	1	85	MET	HG3	H	2.385	0.020
933	1	85	MET	C	C	174.421	0.300
934	1	85	MET	CA	C	53.096	0.300
935	1	85	MET	CB	C	35.110	0.300
936	1	85	MET	CG	C	32.860	0.300
937	1	85	MET	N	N	121.039	0.300
938	1	86	HIS	H	H	8.905	0.020
939	1	86	HIS	HA	H	5.616	0.020
940	1	86	HIS	HB2	H	3.066	0.020
941	1	86	HIS	HB3	H	3.323	0.020
942	1	86	HIS	C	C	172.216	0.300
943	1	86	HIS	CA	C	54.800	0.300
944	1	86	HIS	CB	C	30.874	0.300
945	1	86	HIS	N	N	124.020	0.300
946	1	87	TYR	H	H	9.778	0.020
947	1	87	TYR	HA	H	5.604	0.020
948	1	87	TYR	HB2	H	2.585	0.020
949	1	87	TYR	HB3	H	3.314	0.020
950	1	87	TYR	HD1	H	6.760	0.020
951	1	87	TYR	HD2	H	6.760	0.020
952	1	87	TYR	HE1	H	6.406	0.020
953	1	87	TYR	HE2	H	6.406	0.020
954	1	87	TYR	C	C	173.684	0.300
955	1	87	TYR	CA	C	52.907	0.300
956	1	87	TYR	CB	C	38.890	0.300
957	1	87	TYR	CD1	C	130.369	0.300
958	1	87	TYR	CE1	C	117.173	0.300
959	1	87	TYR	N	N	131.025	0.300
960	1	88	GLU	H	H	8.270	0.020
961	1	88	GLU	HA	H	4.319	0.020
962	1	88	GLU	HB2	H	1.430	0.020
963	1	88	GLU	HB3	H	1.902	0.020
964	1	88	GLU	HG2	H	2.023	0.020
965	1	88	GLU	HG3	H	2.023	0.020
966	1	88	GLU	C	C	175.524	0.300
967	1	88	GLU	CA	C	55.425	0.300
968	1	88	GLU	CB	C	28.498	0.300
969	1	88	GLU	CG	C	36.036	0.300
970	1	88	GLU	N	N	127.093	0.300
971	1	89	LEU	H	H	7.304	0.020
972	1	89	LEU	HA	H	3.811	0.020
973	1	89	LEU	HB2	H	1.444	0.020
974	1	89	LEU	HB3	H	1.608	0.020
975	1	89	LEU	HG	H	1.190	0.020
976	1	89	LEU	HD11	H	0.102	0.020
977	1	89	LEU	HD12	H	0.102	0.020
978	1	89	LEU	HD13	H	0.102	0.020
979	1	89	LEU	HD21	H	0.511	0.020
980	1	89	LEU	HD22	H	0.511	0.020
981	1	89	LEU	HD23	H	0.511	0.020
982	1	89	LEU	C	C	179.725	0.300
983	1	89	LEU	CA	C	58.123	0.300
984	1	89	LEU	CB	C	40.031	0.300
985	1	89	LEU	CG	C	27.565	0.300
986	1	89	LEU	CD1	C	22.379	0.300
987	1	89	LEU	CD2	C	25.231	0.300
988	1	89	LEU	N	N	126.144	0.300
989	1	90	ALA	H	H	9.627	0.020
990	1	90	ALA	HA	H	4.145	0.020
991	1	90	ALA	HB1	H	1.432	0.020
992	1	90	ALA	HB2	H	1.432	0.020
993	1	90	ALA	HB3	H	1.432	0.020
994	1	90	ALA	C	C	179.003	0.300
995	1	90	ALA	CA	C	54.082	0.300
996	1	90	ALA	CB	C	18.881	0.300
997	1	90	ALA	N	N	118.205	0.300
998	1	91	LYS	H	H	6.926	0.020
999	1	91	LYS	HA	H	4.419	0.020
1000	1	91	LYS	HB2	H	1.228	0.020
1001	1	91	LYS	HB3	H	1.716	0.020
1002	1	91	LYS	HG2	H	1.017	0.020
1003	1	91	LYS	HG3	H	1.130	0.020
1004	1	91	LYS	HE2	H	2.885	0.020
1005	1	91	LYS	HE3	H	2.885	0.020
1006	1	91	LYS	C	C	174.852	0.300
1007	1	91	LYS	CA	C	54.193	0.300
1008	1	91	LYS	CB	C	34.224	0.300
1009	1	91	LYS	CG	C	24.863	0.300
1010	1	91	LYS	CD	C	28.806	0.300
1011	1	91	LYS	CE	C	40.635	0.300
1012	1	91	LYS	N	N	112.736	0.300
1013	1	92	ASP	H	H	7.740	0.020
1014	1	92	ASP	HA	H	4.341	0.020
1015	1	92	ASP	HB2	H	2.788	0.020
1016	1	92	ASP	HB3	H	2.980	0.020
1017	1	92	ASP	C	C	175.395	0.300
1018	1	92	ASP	CA	C	55.608	0.300
1019	1	92	ASP	CB	C	40.830	0.300
1020	1	92	ASP	N	N	114.509	0.300
1021	1	93	PHE	H	H	7.503	0.020
1022	1	93	PHE	HA	H	5.620	0.020
1023	1	93	PHE	HB2	H	3.015	0.020
1024	1	93	PHE	HB3	H	3.015	0.020
1025	1	93	PHE	HD1	H	6.807	0.020
1026	1	93	PHE	HD2	H	6.807	0.020
1027	1	93	PHE	C	C	172.336	0.300
1028	1	93	PHE	CA	C	55.741	0.300
1029	1	93	PHE	CB	C	42.634	0.300
1030	1	93	PHE	N	N	112.507	0.300
1031	1	94	VAL	H	H	9.251	0.020
1032	1	94	VAL	HA	H	5.162	0.020
1033	1	94	VAL	HB	H	1.455	0.020
1034	1	94	VAL	HG11	H	0.360	0.020
1035	1	94	VAL	HG12	H	0.360	0.020
1036	1	94	VAL	HG13	H	0.360	0.020
1037	1	94	VAL	HG21	H	0.368	0.020
1038	1	94	VAL	HG22	H	0.368	0.020
1039	1	94	VAL	HG23	H	0.368	0.020
1040	1	94	VAL	C	C	173.430	0.300
1041	1	94	VAL	CA	C	59.364	0.300
1042	1	94	VAL	CB	C	34.974	0.300
1043	1	94	VAL	CG1	C	20.357	0.300
1044	1	94	VAL	CG2	C	21.207	0.300
1045	1	94	VAL	N	N	121.623	0.300
1046	1	95	VAL	H	H	9.404	0.020
1047	1	95	VAL	HA	H	4.716	0.020
1048	1	95	VAL	HB	H	2.023	0.020
1049	1	95	VAL	HG11	H	0.773	0.020
1050	1	95	VAL	HG12	H	0.773	0.020
1051	1	95	VAL	HG13	H	0.773	0.020
1052	1	95	VAL	HG21	H	1.050	0.020
1053	1	95	VAL	HG22	H	1.050	0.020
1054	1	95	VAL	HG23	H	1.050	0.020
1055	1	95	VAL	C	C	176.137	0.300
1056	1	95	VAL	CA	C	60.931	0.300
1057	1	95	VAL	CB	C	33.611	0.300
1058	1	95	VAL	CG1	C	21.451	0.300
1059	1	95	VAL	CG2	C	21.419	0.300
1060	1	95	VAL	N	N	126.454	0.300
1061	1	96	LEU	H	H	9.747	0.020
1062	1	96	LEU	HA	H	4.934	0.020
1063	1	96	LEU	HB2	H	1.431	0.020
1064	1	96	LEU	HB3	H	1.431	0.020
1065	1	96	LEU	HG	H	1.462	0.020
1066	1	96	LEU	HD11	H	0.471	0.020
1067	1	96	LEU	HD12	H	0.471	0.020
1068	1	96	LEU	HD13	H	0.471	0.020
1069	1	96	LEU	HD21	H	0.543	0.020
1070	1	96	LEU	HD22	H	0.543	0.020
1071	1	96	LEU	HD23	H	0.543	0.020
1072	1	96	LEU	C	C	175.169	0.300
1073	1	96	LEU	CA	C	55.394	0.300
1074	1	96	LEU	CB	C	42.607	0.300
1075	1	96	LEU	CG	C	29.437	0.300
1076	1	96	LEU	CD1	C	25.109	0.300
1077	1	96	LEU	CD2	C	27.439	0.300
1078	1	96	LEU	N	N	134.353	0.300
1079	1	97	THR	H	H	8.938	0.020
1080	1	97	THR	HA	H	5.171	0.020
1081	1	97	THR	HB	H	3.973	0.020
1082	1	97	THR	HG21	H	1.125	0.020
1083	1	97	THR	HG22	H	1.125	0.020
1084	1	97	THR	HG23	H	1.125	0.020
1085	1	97	THR	C	C	173.917	0.300
1086	1	97	THR	CA	C	60.812	0.300
1087	1	97	THR	CB	C	71.491	0.300
1088	1	97	THR	CG2	C	21.934	0.300
1089	1	97	THR	N	N	115.683	0.300
1090	1	98	GLY	H	H	8.785	0.020
1091	1	98	GLY	HA2	H	3.683	0.020
1092	1	98	GLY	HA3	H	4.357	0.020
1093	1	98	GLY	C	C	172.902	0.300
1094	1	98	GLY	CA	C	46.018	0.300
1095	1	98	GLY	N	N	113.568	0.300
1096	1	99	ASN	H	H	9.528	0.020
1097	1	99	ASN	HA	H	4.240	0.020
1098	1	99	ASN	HB2	H	2.758	0.020
1099	1	99	ASN	HB3	H	2.992	0.020
1100	1	99	ASN	HD21	H	7.562	0.020
1101	1	99	ASN	HD22	H	6.917	0.020
1102	1	99	ASN	C	C	174.435	0.300
1103	1	99	ASN	CA	C	53.986	0.300
1104	1	99	ASN	CB	C	37.290	0.300
1105	1	99	ASN	N	N	123.950	0.300
1106	1	99	ASN	ND2	N	113.226	0.300
1107	1	100	ALA	H	H	7.546	0.020
1108	1	100	ALA	HA	H	4.861	0.020
1109	1	100	ALA	HB1	H	1.078	0.020
1110	1	100	ALA	HB2	H	1.078	0.020
1111	1	100	ALA	HB3	H	1.078	0.020
1112	1	100	ALA	C	C	177.304	0.300
1113	1	100	ALA	CA	C	52.211	0.300
1114	1	100	ALA	CB	C	21.588	0.300
1115	1	100	ALA	N	N	119.585	0.300
1116	1	101	TYR	H	H	8.558	0.020
1117	1	101	TYR	HA	H	5.062	0.020
1118	1	101	TYR	HB2	H	1.672	0.020
1119	1	101	TYR	HB3	H	2.602	0.020
1120	1	101	TYR	HD1	H	6.844	0.020
1121	1	101	TYR	HD2	H	6.844	0.020
1122	1	101	TYR	HE1	H	6.650	0.020
1123	1	101	TYR	HE2	H	6.650	0.020
1124	1	101	TYR	C	C	173.051	0.300
1125	1	101	TYR	CA	C	56.507	0.300
1126	1	101	TYR	CB	C	42.069	0.300
1127	1	101	TYR	CD1	C	133.211	0.300
1128	1	101	TYR	CE1	C	117.603	0.300
1129	1	101	TYR	N	N	122.617	0.300
1130	1	102	LEU	H	H	8.221	0.020
1131	1	102	LEU	HA	H	4.592	0.020
1132	1	102	LEU	HB2	H	0.973	0.020
1133	1	102	LEU	HB3	H	1.432	0.020
1134	1	102	LEU	HG	H	1.143	0.020
1135	1	102	LEU	HD11	H	0.389	0.020
1136	1	102	LEU	HD12	H	0.389	0.020
1137	1	102	LEU	HD13	H	0.389	0.020
1138	1	102	LEU	HD21	H	0.446	0.020
1139	1	102	LEU	HD22	H	0.446	0.020
1140	1	102	LEU	HD23	H	0.446	0.020
1141	1	102	LEU	C	C	173.474	0.300
1142	1	102	LEU	CA	C	54.151	0.300
1143	1	102	LEU	CB	C	47.305	0.300
1144	1	102	LEU	CG	C	26.771	0.300
1145	1	102	LEU	CD1	C	23.995	0.300
1146	1	102	LEU	CD2	C	25.764	0.300
1147	1	102	LEU	N	N	125.583	0.300
1148	1	103	GLN	H	H	9.129	0.020
1149	1	103	GLN	HA	H	4.874	0.020
1150	1	103	GLN	HB2	H	1.999	0.020
1151	1	103	GLN	HB3	H	1.999	0.020
1152	1	103	GLN	HG2	H	2.381	0.020
1153	1	103	GLN	HG3	H	2.381	0.020
1154	1	103	GLN	HE21	H	7.648	0.020
1155	1	103	GLN	HE22	H	6.939	0.020
1156	1	103	GLN	C	C	173.941	0.300
1157	1	103	GLN	CA	C	54.530	0.300
1158	1	103	GLN	CB	C	32.453	0.300
1159	1	103	GLN	CG	C	33.891	0.300
1160	1	103	GLN	N	N	123.671	0.300
1161	1	103	GLN	NE2	N	113.539	0.300
1162	1	104	GLN	H	H	8.561	0.020
1163	1	104	GLN	HA	H	4.764	0.020
1164	1	104	GLN	HB2	H	1.904	0.020
1165	1	104	GLN	HB3	H	2.212	0.020
1166	1	104	GLN	C	C	175.738	0.300
1167	1	104	GLN	CA	C	54.789	0.300
1168	1	104	GLN	CB	C	32.372	0.300
1169	1	104	GLN	CG	C	34.597	0.300
1170	1	104	GLN	N	N	122.718	0.300
1171	1	105	VAL	H	H	9.251	0.020
1172	1	105	VAL	HA	H	3.671	0.020
1173	1	105	VAL	HB	H	2.252	0.020
1174	1	105	VAL	HG11	H	0.993	0.020
1175	1	105	VAL	HG12	H	0.993	0.020
1176	1	105	VAL	HG13	H	0.993	0.020
1177	1	105	VAL	HG21	H	0.993	0.020
1178	1	105	VAL	HG22	H	0.993	0.020
1179	1	105	VAL	HG23	H	0.993	0.020
1180	1	105	VAL	C	C	175.742	0.300
1181	1	105	VAL	CA	C	65.769	0.300
1182	1	105	VAL	CB	C	30.341	0.300
1183	1	105	VAL	CG1	C	21.225	0.300
1184	1	105	VAL	CG2	C	21.620	0.300
1185	1	105	VAL	N	N	121.733	0.300
1186	1	106	ASP	H	H	8.383	0.020
1187	1	106	ASP	HA	H	4.700	0.020
1188	1	106	ASP	HB2	H	2.687	0.020
1189	1	106	ASP	HB3	H	2.807	0.020
1190	1	106	ASP	C	C	175.750	0.300
1191	1	106	ASP	CA	C	54.017	0.300
1192	1	106	ASP	CB	C	41.105	0.300
1193	1	106	ASP	N	N	118.199	0.300
1194	1	107	SER	H	H	7.537	0.020
1195	1	107	SER	HA	H	4.653	0.020
1196	1	107	SER	HB2	H	3.722	0.020
1197	1	107	SER	HB3	H	3.722	0.020
1198	1	107	SER	C	C	172.010	0.300
1199	1	107	SER	CA	C	58.119	0.300
1200	1	107	SER	CB	C	64.747	0.300
1201	1	107	SER	N	N	113.547	0.300
1202	1	108	ASN	H	H	8.483	0.020
1203	1	108	ASN	HA	H	5.224	0.020
1204	1	108	ASN	HB2	H	2.535	0.020
1205	1	108	ASN	HB3	H	2.718	0.020
1206	1	108	ASN	HD21	H	7.454	0.020
1207	1	108	ASN	HD22	H	6.736	0.020
1208	1	108	ASN	C	C	172.875	0.300
1209	1	108	ASN	CA	C	52.744	0.300
1210	1	108	ASN	CB	C	41.676	0.300
1211	1	108	ASN	N	N	119.117	0.300
1212	1	108	ASN	ND2	N	114.192	0.300
1213	1	109	ILE	H	H	8.564	0.020
1214	1	109	ILE	HA	H	4.438	0.020
1215	1	109	ILE	HB	H	1.637	0.020
1216	1	109	ILE	HG12	H	1.111	0.020
1217	1	109	ILE	HG13	H	1.411	0.020
1218	1	109	ILE	HG21	H	0.806	0.020
1219	1	109	ILE	HG22	H	0.806	0.020
1220	1	109	ILE	HG23	H	0.806	0.020
1221	1	109	ILE	HD11	H	0.757	0.020
1222	1	109	ILE	HD12	H	0.757	0.020
1223	1	109	ILE	HD13	H	0.757	0.020
1224	1	109	ILE	C	C	172.106	0.300
1225	1	109	ILE	CA	C	59.905	0.300
1226	1	109	ILE	CB	C	41.514	0.300
1227	1	109	ILE	CG1	C	27.217	0.300
1228	1	109	ILE	CG2	C	17.915	0.300
1229	1	109	ILE	CD1	C	13.424	0.300
1230	1	109	ILE	N	N	119.630	0.300
1231	1	110	LYS	H	H	7.962	0.020
1232	1	110	LYS	HA	H	5.263	0.020
1233	1	110	LYS	HB2	H	1.809	0.020
1234	1	110	LYS	HB3	H	1.875	0.020
1235	1	110	LYS	HG2	H	1.442	0.020
1236	1	110	LYS	HG3	H	1.442	0.020
1237	1	110	LYS	HD2	H	1.657	0.020
1238	1	110	LYS	HD3	H	1.657	0.020
1239	1	110	LYS	HE2	H	2.945	0.020
1240	1	110	LYS	HE3	H	2.945	0.020
1241	1	110	LYS	C	C	175.854	0.300
1242	1	110	LYS	CA	C	54.137	0.300
1243	1	110	LYS	CB	C	36.132	0.300
1244	1	110	LYS	CG	C	24.610	0.300
1245	1	110	LYS	CD	C	29.705	0.300
1246	1	110	LYS	CE	C	42.138	0.300
1247	1	110	LYS	N	N	121.916	0.300
1248	1	111	GLY	H	H	8.260	0.020
1249	1	111	GLY	HA2	H	4.033	0.020
1250	1	111	GLY	HA3	H	4.134	0.020
1251	1	111	GLY	CA	C	45.602	0.300
1252	1	111	GLY	N	N	107.648	0.300
1253	1	112	ASP	HA	H	4.685	0.020
1254	1	112	ASP	HB2	H	2.622	0.020
1255	1	112	ASP	HB3	H	2.752	0.020
1256	1	112	ASP	C	C	176.304	0.300
1257	1	112	ASP	CA	C	56.913	0.300
1258	1	112	ASP	CB	C	41.745	0.300
1259	1	113	LYS	H	H	7.621	0.020
1260	1	113	LYS	HA	H	5.263	0.020
1261	1	113	LYS	HB2	H	1.513	0.020
1262	1	113	LYS	HB3	H	1.513	0.020
1263	1	113	LYS	HG2	H	1.121	0.020
1264	1	113	LYS	HG3	H	1.121	0.020
1265	1	113	LYS	HD2	H	1.579	0.020
1266	1	113	LYS	HD3	H	1.579	0.020
1267	1	113	LYS	C	C	175.050	0.300
1268	1	113	LYS	CA	C	55.512	0.300
1269	1	113	LYS	CB	C	35.246	0.300
1270	1	113	LYS	CG	C	24.712	0.300
1271	1	113	LYS	CD	C	29.501	0.300
1272	1	113	LYS	CE	C	41.832	0.300
1273	1	113	LYS	N	N	117.651	0.300
1274	1	114	ILE	H	H	9.123	0.020
1275	1	114	ILE	HA	H	4.405	0.020
1276	1	114	ILE	HB	H	1.456	0.020
1277	1	114	ILE	HG12	H	0.768	0.020
1278	1	114	ILE	HG13	H	1.184	0.020
1279	1	114	ILE	HG21	H	0.645	0.020
1280	1	114	ILE	HG22	H	0.645	0.020
1281	1	114	ILE	HG23	H	0.645	0.020
1282	1	114	ILE	HD11	H	0.466	0.020
1283	1	114	ILE	HD12	H	0.466	0.020
1284	1	114	ILE	HD13	H	0.466	0.020
1285	1	114	ILE	C	C	173.930	0.300
1286	1	114	ILE	CA	C	60.399	0.300
1287	1	114	ILE	CB	C	43.254	0.300
1288	1	114	ILE	CG1	C	26.750	0.300
1289	1	114	ILE	CG2	C	17.473	0.300
1290	1	114	ILE	CD1	C	14.847	0.300
1291	1	114	ILE	N	N	125.590	0.300
1292	1	115	THR	H	H	8.866	0.020
1293	1	115	THR	HA	H	4.904	0.020
1294	1	115	THR	HB	H	3.858	0.020
1295	1	115	THR	HG21	H	0.713	0.020
1296	1	115	THR	HG22	H	0.713	0.020
1297	1	115	THR	HG23	H	0.713	0.020
1298	1	115	THR	C	C	172.473	0.300
1299	1	115	THR	CA	C	61.885	0.300
1300	1	115	THR	CB	C	69.625	0.300
1301	1	115	THR	CG2	C	21.401	0.300
1302	1	115	THR	N	N	121.849	0.300
1303	1	116	TYR	H	H	9.365	0.020
1304	1	116	TYR	HA	H	4.778	0.020
1305	1	116	TYR	HB2	H	2.287	0.020
1306	1	116	TYR	HB3	H	2.287	0.020
1307	1	116	TYR	HD1	H	6.391	0.020
1308	1	116	TYR	HD2	H	6.391	0.020
1309	1	116	TYR	HE1	H	6.672	0.020
1310	1	116	TYR	HE2	H	6.672	0.020
1311	1	116	TYR	C	C	172.918	0.300
1312	1	116	TYR	CA	C	56.571	0.300
1313	1	116	TYR	CB	C	40.742	0.300
1314	1	116	TYR	CD1	C	132.266	0.300
1315	1	116	TYR	N	N	127.390	0.300
1316	1	117	LEU	H	H	8.197	0.020
1317	1	117	LEU	HA	H	4.532	0.020
1318	1	117	LEU	HB2	H	2.013	0.020
1319	1	117	LEU	HB3	H	2.013	0.020
1320	1	117	LEU	HD11	H	0.727	0.020
1321	1	117	LEU	HD12	H	0.727	0.020
1322	1	117	LEU	HD13	H	0.727	0.020
1323	1	117	LEU	HD21	H	0.769	0.020
1324	1	117	LEU	HD22	H	0.769	0.020
1325	1	117	LEU	HD23	H	0.769	0.020
1326	1	117	LEU	C	C	176.423	0.300
1327	1	117	LEU	CA	C	54.323	0.300
1328	1	117	LEU	CB	C	40.275	0.300
1329	1	117	LEU	CG	C	27.241	0.300
1330	1	117	LEU	CD1	C	25.267	0.300
1331	1	117	LEU	CD2	C	25.377	0.300
1332	1	117	LEU	N	N	129.035	0.300
1333	1	118	VAL	H	H	7.485	0.020
1334	1	118	VAL	HA	H	3.813	0.020
1335	1	118	VAL	HB	H	1.988	0.020
1336	1	118	VAL	HG11	H	0.785	0.020
1337	1	118	VAL	HG12	H	0.785	0.020
1338	1	118	VAL	HG13	H	0.785	0.020
1339	1	118	VAL	HG21	H	0.948	0.020
1340	1	118	VAL	HG22	H	0.948	0.020
1341	1	118	VAL	HG23	H	0.948	0.020
1342	1	118	VAL	C	C	176.696	0.300
1343	1	118	VAL	CA	C	64.065	0.300
1344	1	118	VAL	CB	C	32.248	0.300
1345	1	118	VAL	CG1	C	20.760	0.300
1346	1	118	VAL	CG2	C	22.652	0.300
1347	1	118	VAL	N	N	118.916	0.300
1348	2	1	EU0	H2	H	7.426	0.000
1349	2	1	EU0	HA	H	4.414	0.000
1350	2	1	EU0	HB	H	1.972	0.000
1351	2	1	EU0	HG11	H	0.796	0.002
1352	2	1	EU0	HG21	H	0.820	0.001
1353	2	2	HYP	HA	H	4.518	0.000
1354	2	2	HYP	HB2	H	1.960	0.000
1355	2	2	HYP	HB3	H	2.131	0.000
1356	2	2	HYP	HD2	H	3.515	0.000
1357	2	2	HYP	HD3	H	3.861	0.002
1358	2	2	HYP	HG2	H	4.602	0.000
1359	2	3	ILE	H	H	8.962	0.000
1360	2	3	ILE	HA	H	4.844	0.000
1361	2	3	ILE	HB	H	2.203	0.000
1362	2	3	ILE	HG12	H	0.862	0.000
1363	2	3	ILE	HG13	H	1.950	0.002
1364	2	3	ILE	HG21	H	0.788	0.000
1365	2	3	ILE	HG22	H	0.788	0.000
1366	2	3	ILE	HG23	H	0.788	0.000
1367	2	3	ILE	HD11	H	0.817	0.000
1368	2	3	ILE	HD12	H	0.817	0.000
1369	2	3	ILE	HD13	H	0.817	0.000
1370	2	4	THR	H	H	8.715	0.000
1371	2	4	THR	HA	H	4.994	0.000
1372	2	4	THR	HB	H	3.969	0.000
1373	2	4	THR	HG21	H	1.073	0.002
1374	2	4	THR	HG22	H	1.073	0.002
1375	2	4	THR	HG23	H	1.073	0.002
1376	2	5	TYR	H	H	8.882	0.000
1377	2	5	TYR	HA	H	5.880	0.001
1378	2	5	TYR	HB2	H	2.420	0.003
1379	2	5	TYR	HB3	H	2.839	0.003
1380	2	5	TYR	HD1	H	6.891	0.000
1381	2	5	TYR	HD2	H	6.891	0.000
1382	2	5	TYR	HE1	H	6.661	0.000
1383	2	5	TYR	HE2	H	6.661	0.000
1384	2	6	LE1	H8	H	1.285	0.000
1385	2	6	LE1	H9	H	1.086	0.000
1386	2	6	LE1	HA	H	4.935	0.001
1387	2	6	LE1	HN	H	9.075	0.000
1388	2	7	ASN	H	H	8.292	0.000
1389	2	7	ASN	HA	H	5.062	0.000
1390	2	7	ASN	HB2	H	2.846	0.000
1391	2	7	ASN	HB3	H	3.338	0.000
1392	2	7	ASN	HD21	H	8.182	0.000
1393	2	7	ASN	HD22	H	6.964	0.000
1394	2	8	ARG	H	H	8.882	0.000
1395	2	8	ARG	HA	H	4.148	0.001
1396	2	8	ARG	HB2	H	1.800	0.000
1397	2	8	ARG	HB3	H	1.822	0.005
1398	2	8	ARG	HG2	H	1.501	0.000
1399	2	8	ARG	HG3	H	1.634	0.000
1400	2	8	ARG	HD2	H	3.176	0.001
1401	2	8	ARG	HD3	H	3.176	0.001
1402	2	9	DAB	H	H	8.218	0.000
1403	2	9	DAB	HA	H	4.382	0.000
1404	2	9	DAB	HB2	H	2.343	0.000
1405	2	9	DAB	HB3	H	2.683	0.000
1406	2	9	DAB	HG2	H	3.181	0.000
1407	2	9	DAB	HG3	H	3.271	0.000
1408	2	10	THR	H	H	8.261	0.000
1409	2	10	THR	HA	H	4.444	0.000
1410	2	10	THR	HB	H	4.386	0.000
1411	2	10	THR	HG21	H	1.258	0.000
1412	2	10	THR	HG22	H	1.258	0.000
1413	2	10	THR	HG23	H	1.258	0.000
1414	2	11	4FO	H	H	8.467	0.000
1415	2	11	4FO	HA	H	4.466	0.001
1416	2	11	4FO	HB2	H	2.122	0.000
1417	2	11	4FO	HB3	H	2.257	0.000
1418	2	11	4FO	HG2	H	3.005	0.005
1419	2	11	4FO	HG3	H	3.132	0.005
1420	2	12	LYS	H	H	7.869	0.000
1421	2	12	LYS	HA	H	4.514	0.000
1422	2	12	LYS	HB2	H	1.799	0.000
1423	2	12	LYS	HB3	H	1.846	0.000
1424	2	12	LYS	HG2	H	1.360	0.000
1425	2	12	LYS	HG3	H	1.436	0.000
1426	2	12	LYS	HD2	H	1.675	0.000
1427	2	12	LYS	HD3	H	1.675	0.000
1428	2	12	LYS	HE2	H	3.005	0.000
1429	2	12	LYS	HE3	H	3.005	0.000
1430	2	13	CYS	H	H	8.871	0.000
1431	2	13	CYS	HA	H	5.811	0.000
1432	2	13	CYS	HB2	H	2.717	0.000
1433	2	13	CYS	HB3	H	2.858	0.000
1434	2	14	DAB	H	H	8.759	0.000
1435	2	14	DAB	HA	H	4.488	0.005
1436	2	14	DAB	HB2	H	1.282	0.000
1437	2	14	DAB	HB3	H	1.932	0.000
1438	2	14	DAB	HG2	H	2.845	0.003
1439	2	14	DAB	HG3	H	3.018	0.002
1440	2	15	ARG	H	H	8.372	0.000
1441	2	15	ARG	HA	H	4.941	0.000
1442	2	15	ARG	HB2	H	1.692	0.004
1443	2	15	ARG	HB3	H	1.758	0.001
1444	2	15	ARG	HG2	H	1.582	0.000
1445	2	15	ARG	HG3	H	1.582	0.000
1446	2	15	ARG	HD2	H	3.191	0.000
1447	2	15	ARG	HD3	H	3.191	0.000
1448	2	16	TYR	H	H	8.888	0.000
1449	2	16	TYR	HB2	H	2.771	0.003
1450	2	16	TYR	HB3	H	2.993	0.004
1451	2	16	TYR	HD1	H	6.987	0.002
1452	2	16	TYR	HD2	H	6.987	0.002
1453	2	16	TYR	HE1	H	6.420	0.002
1454	2	16	TYR	HE2	H	6.420	0.002

Release date

2022-03-02

Citation

Peptidomimetic antibiotics disrupt the lipopolysaccharide transport bridge of drug-resistant Enterobacteriaceae
Schuster, M., Brabet, E., Oi, K.K., Desjonqueres, N., Moehle, K., Le Poupon, K., Hell, S., Gable, S., Rithie, V., Dillinger, S., Zbinden, P., Luther, A., Li, C., Stiegeler, S., D'Arco, C., Locher, H., Remus, T., DiMaio, S., Motta, P., Wach, A., Jung, F., Upert, G., Obrecht, D., Benghezal, M., Zerbe, O.
Sci. Adv. (2023), 9, eadg3683-eadg3683, PubMed 37224246 , DOI 10.1126/sciadv.adg3683 , Abstract