BMRBj - BMREntryMaster

Found 1 Document (0.702 seconds)

BMRB: 27435

6E3C

NMR assignments of Decorator, a phage-cementing 15 KDa monomer

Authors

Newcomer, R.L., Belato, H., Teschke, C.M., Alexandrescu, A.T.

Assembly

Decorator monomer

Entity

1. Decorator monomer (polymer, Thiol state: not present), 137 monomers, 14365.60 Da Detail

GSHMANPNFT PSWPLYKDAD GVYVSALPIK AIKYANDGSA NAEFDGPYAD QYMSAQTVAV FKPEVGGYLF RSQYGELLYM SKTAFEANYT SASGSVANAE TADKLSTART ITLTGAVTGS ASFDGSANVT IETTSGS

Formula weight

14365.6 Da

Source organism

Enterobacteria phage L

Exptl. method

solution NMR

Refine. method

simulated annealingsimulated annealing

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 739, ¹³C: 460, ¹⁵N: 141 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	GLY	HA2	H	4.323	0.000	1
2	1	1	GLY	C	C	174.200	0.000	1
3	1	1	GLY	CA	C	45.127	0.000	1
4	1	2	SER	H	H	8.161	0.005	1
5	1	2	SER	HA	H	4.418	0.010	1
6	1	2	SER	HB2	H	3.871	0.009	1
7	1	2	SER	C	C	174.236	0.000	1
8	1	2	SER	CA	C	58.057	0.000	1
9	1	2	SER	CB	C	63.244	0.000	1
10	1	2	SER	N	N	115.499	0.009	1
11	1	3	HIS	H	H	8.615	0.005	1
12	1	3	HIS	HA	H	4.684	0.004	1
13	1	3	HIS	HB2	H	3.116	0.004	2
14	1	3	HIS	HB3	H	3.210	0.001	2
15	1	3	HIS	HD2	H	7.310	0.000	1
16	1	3	HIS	C	C	174.240	0.000	1
17	1	3	HIS	CA	C	55.160	0.000	1
18	1	3	HIS	CB	C	28.529	0.000	1
19	1	3	HIS	N	N	120.244	0.059	1
20	1	4	MET	H	H	8.324	0.002	1
21	1	4	MET	HA	H	4.403	0.010	1
22	1	4	MET	HB2	H	1.910	0.005	2
23	1	4	MET	HB3	H	2.008	0.024	2
24	1	4	MET	HG2	H	2.477	0.021	2
25	1	4	MET	HG3	H	2.514	0.016	2
26	1	4	MET	C	C	175.618	0.000	1
27	1	4	MET	CA	C	55.305	0.000	1
28	1	4	MET	CB	C	32.502	0.000	1
29	1	4	MET	CG	C	31.944	0.000	1
30	1	4	MET	N	N	121.655	0.040	1
31	1	5	ALA	H	H	8.297	0.006	1
32	1	5	ALA	HA	H	4.258	0.007	1
33	1	5	ALA	HB1	H	1.348	0.038	1
34	1	5	ALA	HB2	H	1.348	0.038	1
35	1	5	ALA	HB3	H	1.348	0.038	1
36	1	5	ALA	C	C	177.068	0.000	1
37	1	5	ALA	CA	C	52.084	0.000	1
38	1	5	ALA	CB	C	18.582	0.000	1
39	1	5	ALA	N	N	125.140	0.000	1
40	1	6	ASN	H	H	8.291	0.002	1
41	1	6	ASN	HA	H	4.914	0.000	1
42	1	6	ASN	HB2	H	2.778	0.014	2
43	1	6	ASN	HB3	H	2.651	0.010	2
44	1	6	ASN	HD21	H	7.559	0.002	1
45	1	6	ASN	HD22	H	6.959	0.003	1
46	1	6	ASN	C	C	173.801	0.000	1
47	1	6	ASN	CA	C	50.826	0.000	1
48	1	6	ASN	CB	C	38.574	0.000	1
49	1	6	ASN	N	N	118.590	0.000	1
50	1	6	ASN	ND2	N	112.503	0.007	1
51	1	7	PRO	HA	H	4.386	0.003	1
52	1	7	PRO	HB2	H	2.203	0.019	2
53	1	7	PRO	HB3	H	1.858	0.062	2
54	1	7	PRO	HG2	H	1.950	0.032	2
55	1	7	PRO	HG3	H	1.906	0.012	2
56	1	7	PRO	HD2	H	3.766	0.000	1
57	1	7	PRO	C	C	176.703	0.000	1
58	1	7	PRO	CA	C	63.282	0.000	1
59	1	7	PRO	CB	C	31.482	0.000	1
60	1	7	PRO	CG	C	27.090	0.000	1
61	1	7	PRO	CD	C	50.615	0.000	1
62	1	8	ASN	H	H	8.266	0.002	1
63	1	8	ASN	HA	H	4.608	0.045	1
64	1	8	ASN	HB2	H	2.690	0.045	2
65	1	8	ASN	HB3	H	2.599	0.035	2
66	1	8	ASN	HD21	H	7.495	0.005	1
67	1	8	ASN	HD22	H	6.867	0.005	1
68	1	8	ASN	C	C	174.714	0.000	1
69	1	8	ASN	CA	C	53.032	0.000	1
70	1	8	ASN	CB	C	38.537	0.000	1
71	1	8	ASN	N	N	117.170	0.000	1
72	1	8	ASN	ND2	N	112.742	0.044	1
73	1	9	PHE	H	H	7.886	0.015	1
74	1	9	PHE	HA	H	4.643	0.001	1
75	1	9	PHE	HB2	H	3.004	0.000	1
76	1	9	PHE	HB3	H	3.004	0.000	1
77	1	9	PHE	C	C	175.037	0.000	1
78	1	9	PHE	CA	C	57.090	0.000	1
79	1	9	PHE	CB	C	39.108	0.000	1
80	1	9	PHE	N	N	120.320	0.000	1
81	1	10	THR	H	H	8.006	0.003	1
82	1	10	THR	HA	H	4.488	0.000	1
83	1	10	THR	HB	H	4.530	0.000	1
84	1	10	THR	HG21	H	1.674	0.052	1
85	1	10	THR	HG22	H	1.674	0.052	1
86	1	10	THR	HG23	H	1.674	0.052	1
87	1	10	THR	C	C	172.223	0.000	1
88	1	10	THR	CA	C	58.570	0.000	1
89	1	10	THR	CB	C	69.722	0.000	1
90	1	10	THR	N	N	120.010	0.000	1
91	1	11	PRO	HA	H	4.349	0.005	1
92	1	11	PRO	C	C	176.772	0.000	1
93	1	11	PRO	CA	C	62.717	0.000	1
94	1	11	PRO	CB	C	31.512	0.000	1
95	1	12	SER	H	H	8.380	0.004	1
96	1	12	SER	HA	H	4.507	0.023	1
97	1	12	SER	HB2	H	3.900	0.023	1
98	1	12	SER	C	C	174.363	0.000	1
99	1	12	SER	CA	C	57.828	0.000	1
100	1	12	SER	CB	C	63.440	0.000	1
101	1	12	SER	N	N	115.973	0.000	1
102	1	13	TRP	H	H	8.309	0.002	1
103	1	13	TRP	HA	H	5.649	0.002	1
104	1	13	TRP	HB2	H	3.930	0.000	2
105	1	13	TRP	HB3	H	2.903	0.000	2
106	1	13	TRP	HD1	H	6.836	0.009	1
107	1	13	TRP	HE1	H	10.283	0.000	1
108	1	13	TRP	HE3	H	7.111	0.000	1
109	1	13	TRP	HZ2	H	7.420	0.000	1
110	1	13	TRP	HZ3	H	7.221	0.000	1
111	1	13	TRP	HH2	H	7.333	0.000	1
112	1	13	TRP	C	C	173.691	0.000	1
113	1	13	TRP	CA	C	53.870	0.000	1
114	1	13	TRP	CB	C	28.010	0.000	1
115	1	13	TRP	N	N	124.500	0.000	1
116	1	13	TRP	NE1	N	128.150	0.000	1
117	1	14	PRO	HA	H	4.388	0.009	1
118	1	14	PRO	C	C	174.704	0.000	1
119	1	14	PRO	CA	C	63.514	0.000	1
120	1	14	PRO	CB	C	32.070	0.000	1
121	1	15	LEU	H	H	7.917	0.003	1
122	1	15	LEU	HA	H	5.125	0.039	1
123	1	15	LEU	HB2	H	1.495	0.000	2
124	1	15	LEU	HB3	H	1.451	0.001	2
125	1	15	LEU	HG	H	0.962	0.041	1
126	1	15	LEU	HD11	H	0.833	0.035	2
127	1	15	LEU	HD12	H	0.833	0.035	2
128	1	15	LEU	HD13	H	0.833	0.035	2
129	1	15	LEU	HD21	H	0.321	0.000	2
130	1	15	LEU	HD22	H	0.321	0.000	2
131	1	15	LEU	HD23	H	0.321	0.000	2
132	1	15	LEU	C	C	177.724	0.000	1
133	1	15	LEU	CA	C	54.283	0.000	1
134	1	15	LEU	CB	C	44.357	0.000	1
135	1	15	LEU	CG	C	27.609	0.000	1
136	1	15	LEU	CD1	C	17.706	0.000	2
137	1	15	LEU	CD2	C	21.095	0.000	2
138	1	15	LEU	N	N	119.190	0.000	1
139	1	16	TYR	H	H	9.502	0.024	1
140	1	16	TYR	HA	H	5.001	0.045	1
141	1	16	TYR	HB2	H	2.358	0.061	1
142	1	16	TYR	HD1	H	6.964	0.125	1
143	1	16	TYR	HD2	H	6.964	0.125	1
144	1	16	TYR	HE1	H	6.851	0.035	1
145	1	16	TYR	HE2	H	6.851	0.035	1
146	1	16	TYR	C	C	173.711	0.000	1
147	1	16	TYR	CA	C	56.574	0.000	1
148	1	16	TYR	CB	C	42.775	0.000	1
149	1	16	TYR	N	N	121.620	0.000	1
150	1	17	LYS	H	H	9.199	0.001	1
151	1	17	LYS	HA	H	5.537	0.015	1
152	1	17	LYS	HB2	H	1.112	0.007	1
153	1	17	LYS	C	C	176.384	0.000	1
154	1	17	LYS	CA	C	53.745	0.000	1
155	1	17	LYS	CB	C	35.289	0.000	1
156	1	17	LYS	N	N	116.230	0.000	1
157	1	18	ASP	H	H	8.347	0.002	1
158	1	18	ASP	HA	H	4.833	0.024	1
159	1	18	ASP	HB2	H	2.874	0.030	2
160	1	18	ASP	HB3	H	2.672	0.000	2
161	1	18	ASP	C	C	178.117	0.000	1
162	1	18	ASP	CA	C	51.019	0.000	1
163	1	18	ASP	CB	C	40.346	0.000	1
164	1	18	ASP	N	N	122.520	0.000	1
165	1	19	ALA	H	H	8.463	0.002	1
166	1	19	ALA	HA	H	3.969	0.003	1
167	1	19	ALA	HB1	H	1.283	0.006	1
168	1	19	ALA	HB2	H	1.283	0.006	1
169	1	19	ALA	HB3	H	1.283	0.006	1
170	1	19	ALA	C	C	178.639	0.000	1
171	1	19	ALA	CA	C	54.075	0.000	1
172	1	19	ALA	CB	C	17.514	0.000	1
173	1	19	ALA	N	N	120.510	0.000	1
174	1	20	ASP	H	H	7.853	0.008	1
175	1	20	ASP	HA	H	4.715	0.002	1
176	1	20	ASP	HB2	H	3.208	0.000	2
177	1	20	ASP	HB3	H	2.742	0.019	2
178	1	20	ASP	C	C	175.856	0.000	1
179	1	20	ASP	CA	C	52.999	0.000	1
180	1	20	ASP	CB	C	39.465	0.000	1
181	1	20	ASP	N	N	115.110	0.000	1
182	1	21	GLY	H	H	8.011	0.005	1
183	1	21	GLY	HA2	H	4.119	0.000	2
184	1	21	GLY	HA3	H	3.300	0.007	2
185	1	21	GLY	C	C	173.279	0.000	1
186	1	21	GLY	CA	C	45.400	0.000	1
187	1	21	GLY	N	N	107.890	0.000	1
188	1	22	VAL	H	H	8.036	0.003	1
189	1	22	VAL	HB	H	2.174	0.085	1
190	1	22	VAL	HG11	H	1.382	0.063	1
191	1	22	VAL	HG12	H	1.382	0.063	1
192	1	22	VAL	HG13	H	1.382	0.063	1
193	1	22	VAL	HG21	H	0.908	0.004	1
194	1	22	VAL	HG22	H	0.908	0.004	1
195	1	22	VAL	HG23	H	0.908	0.004	1
196	1	22	VAL	C	C	175.633	0.000	1
197	1	22	VAL	CA	C	62.728	0.000	1
198	1	22	VAL	CB	C	31.062	0.000	1
199	1	22	VAL	N	N	123.037	0.000	1
200	1	23	TYR	H	H	8.477	0.000	1
201	1	23	TYR	HA	H	4.877	0.000	1
202	1	23	TYR	HB2	H	3.092	0.072	2
203	1	23	TYR	HB3	H	2.755	0.040	2
204	1	23	TYR	HD1	H	6.733	0.000	1
205	1	23	TYR	HD2	H	6.733	0.000	1
206	1	23	TYR	HE1	H	6.965	0.032	1
207	1	23	TYR	HE2	H	6.965	0.032	1
208	1	23	TYR	C	C	174.254	0.000	1
209	1	23	TYR	CA	C	53.001	0.000	1
210	1	23	TYR	CB	C	38.557	0.000	1
211	1	23	TYR	N	N	118.632	0.000	1
212	1	24	VAL	H	H	8.929	0.022	1
213	1	24	VAL	HA	H	3.940	0.000	1
214	1	24	VAL	HB	H	2.091	0.000	1
215	1	24	VAL	C	C	175.507	0.000	1
216	1	24	VAL	CA	C	58.957	0.000	1
217	1	24	VAL	CB	C	31.824	0.000	1
218	1	24	VAL	N	N	131.17	0.000	1
219	1	25	SER	H	H	8.008	0.004	1
220	1	25	SER	HA	H	4.226	0.000	1
221	1	25	SER	HB2	H	3.900	0.057	2
222	1	25	SER	HB3	H	4.083	0.000	2
223	1	25	SER	C	C	172.042	0.000	1
224	1	25	SER	CA	C	58.186	0.000	1
225	1	25	SER	CB	C	63.306	0.000	1
226	1	25	SER	N	N	115.330	0.000	1
227	1	26	ALA	H	H	8.648	0.009	1
228	1	26	ALA	HA	H	4.875	0.027	1
229	1	26	ALA	HB1	H	0.704	0.005	1
230	1	26	ALA	HB2	H	0.704	0.005	1
231	1	26	ALA	HB3	H	0.704	0.005	1
232	1	26	ALA	C	C	174.730	0.000	1
233	1	26	ALA	CA	C	50.836	0.000	1
234	1	26	ALA	CB	C	23.306	0.000	1
235	1	26	ALA	N	N	117.637	0.000	1
236	1	27	LEU	H	H	8.249	0.023	1
237	1	27	LEU	HA	H	5.88	0.065	1
238	1	27	LEU	HB2	H	1.236	0.003	2
239	1	27	LEU	HB3	H	1.119	0.000	2
240	1	27	LEU	HG	H	1.495	0.001	1
241	1	27	LEU	HD11	H	-0.046	0.036	2
242	1	27	LEU	HD12	H	-0.046	0.036	2
243	1	27	LEU	HD13	H	-0.046	0.036	2
244	1	27	LEU	HD21	H	-1.922	0.004	2
245	1	27	LEU	HD22	H	-1.922	0.004	2
246	1	27	LEU	HD23	H	-1.922	0.004	2
247	1	27	LEU	C	C	174.546	0.000	1
248	1	27	LEU	CA	C	56.077	0.000	1
249	1	27	LEU	CB	C	41.336	0.000	1
250	1	27	LEU	CG	C	27.077	0.000	1
251	1	27	LEU	CD1	C	22.726	0.000	2
252	1	27	LEU	CD2	C	23.694	0.000	2
253	1	27	LEU	N	N	115.997	0.026	1
254	1	28	PRO	HA	H	4.611	0.056	1
255	1	28	PRO	HD2	H	4.104	0.020	1
256	1	28	PRO	C	C	175.497	0.000	1
257	1	28	PRO	CA	C	61.717	0.000	1
258	1	28	PRO	CB	C	32.027	0.000	1
259	1	29	ILE	H	H	8.751	0.003	1
260	1	29	ILE	HA	H	4.746	0.079	1
261	1	29	ILE	HB	H	1.158	0.076	1
262	1	29	ILE	HG12	H	1.723	0.018	1
263	1	29	ILE	HG21	H	0.558	0.004	1
264	1	29	ILE	HG22	H	0.558	0.004	1
265	1	29	ILE	HG23	H	0.558	0.004	1
266	1	29	ILE	HD11	H	0.134	0.069	1
267	1	29	ILE	HD12	H	0.134	0.069	1
268	1	29	ILE	HD13	H	0.134	0.069	1
269	1	29	ILE	C	C	177.234	0.000	1
270	1	29	ILE	CA	C	60.027	0.000	1
271	1	29	ILE	CB	C	38.645	0.000	1
272	1	29	ILE	CG1	C	26.815	0.000	1
273	1	29	ILE	CG2	C	21.639	0.000	1
274	1	29	ILE	CD1	C	12.267	0.000	1
275	1	29	ILE	N	N	118.035	0.000	1
276	1	30	LYS	H	H	9.022	0.003	1
277	1	30	LYS	HA	H	4.300	0.010	1
278	1	30	LYS	HB2	H	1.846	0.022	2
279	1	30	LYS	HB3	H	1.785	0.000	2
280	1	30	LYS	HG2	H	1.465	0.042	2
281	1	30	LYS	HG3	H	1.468	0.042	2
282	1	30	LYS	HD2	H	1.746	0.000	2
283	1	30	LYS	HD3	H	1.583	0.049	2
284	1	30	LYS	HE2	H	2.962	0.048	2
285	1	30	LYS	HE3	H	2.969	0.056	2
286	1	30	LYS	C	C	175.011	0.000	1
287	1	30	LYS	CA	C	57.024	0.000	1
288	1	30	LYS	CB	C	31.996	0.000	1
289	1	30	LYS	CG	C	25.296	0.000	1
290	1	30	LYS	CD	C	29.103	0.000	1
291	1	30	LYS	CE	C	42.378	0.000	1
292	1	30	LYS	N	N	130.93	0.000	1
293	1	31	ALA	H	H	7.549	0.002	1
294	1	31	ALA	HA	H	4.307	0.000	1
295	1	31	ALA	HB1	H	1.178	0.005	1
296	1	31	ALA	HB2	H	1.178	0.005	1
297	1	31	ALA	HB3	H	1.178	0.005	1
298	1	31	ALA	C	C	173.937	0.000	1
299	1	31	ALA	CA	C	51.131	0.000	1
300	1	31	ALA	CB	C	20.963	0.000	1
301	1	31	ALA	N	N	118.284	0.000	1
302	1	32	ILE	H	H	8.382	0.002	1
303	1	32	ILE	HA	H	4.309	0.002	1
304	1	32	ILE	HB	H	1.847	0.000	1
305	1	32	ILE	HG12	H	1.133	0.049	2
306	1	32	ILE	HG13	H	1.501	0.035	2
307	1	32	ILE	HG21	H	0.955	0.035	1
308	1	32	ILE	HG22	H	0.955	0.035	1
309	1	32	ILE	HG23	H	0.955	0.035	1
310	1	32	ILE	HD11	H	0.877	0.000	1
311	1	32	ILE	HD12	H	0.877	0.000	1
312	1	32	ILE	HD13	H	0.877	0.000	1
313	1	32	ILE	C	C	173.804	0.000	1
314	1	32	ILE	CA	C	60.234	0.000	1
315	1	32	ILE	CB	C	40.384	0.000	1
316	1	32	ILE	CG2	C	21.514	0.000	1
317	1	32	ILE	CD1	C	12.811	0.000	1
318	1	32	ILE	N	N	118.780	0.000	1
319	1	33	LYS	H	H	8.271	0.001	1
320	1	33	LYS	HA	H	4.605	0.036	1
321	1	33	LYS	HB2	H	1.676	0.010	2
322	1	33	LYS	HB3	H	1.773	0.000	2
323	1	33	LYS	HE2	H	2.988	0.091	1
324	1	33	LYS	C	C	176.393	0.000	1
325	1	33	LYS	CA	C	53.395	0.000	1
326	1	33	LYS	CB	C	32.810	0.000	1
327	1	33	LYS	CE	C	41.639	0.000	1
328	1	33	LYS	N	N	126.720	0.000	1
329	1	34	TYR	H	H	8.958	0.003	1
330	1	34	TYR	HA	H	4.605	0.017	1
331	1	34	TYR	HB2	H	2.730	0.000	2
332	1	34	TYR	HB3	H	2.852	0.000	2
333	1	34	TYR	HD1	H	7.066	0.007	1
334	1	34	TYR	HD2	H	7.066	0.007	1
335	1	34	TYR	HE1	H	6.549	0.012	1
336	1	34	TYR	HE2	H	6.549	0.012	1
337	1	34	TYR	C	C	175.795	0.000	1
338	1	34	TYR	CA	C	59.062	0.000	1
339	1	34	TYR	CB	C	38.954	0.000	1
340	1	34	TYR	N	N	127.120	0.000	1
341	1	35	ALA	H	H	8.661	0.002	1
342	1	35	ALA	HA	H	4.752	0.016	1
343	1	35	ALA	HB1	H	1.500	0.017	1
344	1	35	ALA	HB2	H	1.500	0.017	1
345	1	35	ALA	HB3	H	1.500	0.017	1
346	1	35	ALA	C	C	179.610	0.000	1
347	1	35	ALA	CA	C	50.148	0.000	1
348	1	35	ALA	CB	C	20.841	0.000	1
349	1	35	ALA	N	N	125.270	0.000	1
350	1	36	ASN	H	H	8.814	0.001	1
351	1	36	ASN	HA	H	4.547	0.069	1
352	1	36	ASN	HB2	H	2.878	0.018	2
353	1	36	ASN	HB3	H	3.113	0.000	2
354	1	36	ASN	HD21	H	7.580	0.003	1
355	1	36	ASN	HD22	H	6.905	0.005	1
356	1	36	ASN	C	C	175.579	0.000	1
357	1	36	ASN	CA	C	55.139	0.000	1
358	1	36	ASN	CB	C	37.541	0.000	1
359	1	36	ASN	N	N	118.840	0.000	1
360	1	36	ASN	ND2	N	111.801	0.034	1
361	1	37	ASP	H	H	7.787	0.003	1
362	1	37	ASP	HA	H	4.593	0.000	1
363	1	37	ASP	HB2	H	2.591	0.019	2
364	1	37	ASP	HB3	H	2.755	0.002	2
365	1	37	ASP	C	C	176.758	0.000	1
366	1	37	ASP	CA	C	52.954	0.000	1
367	1	37	ASP	CB	C	39.441	0.000	1
368	1	37	ASP	N	N	116.186	0.000	1
369	1	38	GLY	H	H	7.876	0.003	1
370	1	38	GLY	HA2	H	4.420	0.034	2
371	1	38	GLY	HA3	H	3.833	0.061	2
372	1	38	GLY	C	C	174.734	0.000	1
373	1	38	GLY	CA	C	45.223	0.000	1
374	1	38	GLY	N	N	108.060	0.000	1
375	1	39	SER	H	H	8.620	0.007	1
376	1	39	SER	HA	H	5.447	0.056	1
377	1	39	SER	HB2	H	3.234	0.010	1
378	1	39	SER	C	C	173.079	0.000	1
379	1	39	SER	CA	C	59.533	0.000	1
380	1	39	SER	N	N	112.255	0.102	1
381	1	40	ALA	H	H	9.431	0.029	1
382	1	40	ALA	HA	H	4.892	0.059	1
383	1	40	ALA	HB1	H	1.533	0.000	1
384	1	40	ALA	HB2	H	1.533	0.000	1
385	1	40	ALA	HB3	H	1.533	0.000	1
386	1	40	ALA	C	C	173.872	0.000	1
387	1	40	ALA	CA	C	50.753	0.000	1
388	1	40	ALA	CB	C	21.418	0.000	1
389	1	40	ALA	N	N	126.577	0.000	1
390	1	41	ASN	H	H	8.242	0.013	1
391	1	41	ASN	HA	H	5.211	0.042	1
392	1	41	ASN	HB2	H	2.147	0.020	2
393	1	41	ASN	HB3	H	2.396	0.029	2
394	1	41	ASN	HD21	H	7.212	0.005	1
395	1	41	ASN	HD22	H	6.719	0.009	1
396	1	41	ASN	C	C	174.549	0.000	1
397	1	41	ASN	CA	C	51.639	0.000	1
398	1	41	ASN	CB	C	37.195	0.000	1
399	1	41	ASN	N	N	116.004	0.015	1
400	1	41	ASN	ND2	N	110.766	0.011	1
401	1	42	ALA	H	H	8.906	0.018	1
402	1	42	ALA	HA	H	4.448	0.065	1
403	1	42	ALA	HB1	H	1.125	0.079	1
404	1	42	ALA	HB2	H	1.125	0.079	1
405	1	42	ALA	HB3	H	1.125	0.079	1
406	1	42	ALA	C	C	174.663	0.000	1
407	1	42	ALA	CA	C	52.589	0.000	1
408	1	42	ALA	CB	C	19.448	0.000	1
409	1	42	ALA	N	N	125.732	0.021	1
410	1	43	GLU	H	H	8.370	0.004	1
411	1	43	GLU	HA	H	4.862	0.000	1
412	1	43	GLU	HB2	H	1.827	0.015	1
413	1	43	GLU	HB3	H	1.827	0.015	1
414	1	43	GLU	C	C	174.780	0.000	1
415	1	43	GLU	CA	C	52.807	0.000	1
416	1	43	GLU	CB	C	30.539	0.000	1
417	1	43	GLU	N	N	124.891	0.172	1
418	1	44	PHE	H	H	8.916	0.003	1
419	1	44	PHE	HA	H	4.239	0.058	1
420	1	44	PHE	HB2	H	2.512	0.010	2
421	1	44	PHE	HB3	H	3.226	0.023	2
422	1	44	PHE	HD1	H	7.109	0.000	1
423	1	44	PHE	HD2	H	7.109	0.000	1
424	1	44	PHE	C	C	175.225	0.000	1
425	1	44	PHE	CA	C	56.082	0.000	1
426	1	44	PHE	CB	C	42.748	0.000	1
427	1	44	PHE	N	N	121.020	0.000	1
428	1	45	ASP	H	H	9.042	0.003	1
429	1	45	ASP	HA	H	4.869	0.010	1
430	1	45	ASP	HB2	H	2.815	0.002	2
431	1	45	ASP	HB3	H	2.936	0.022	2
432	1	45	ASP	C	C	176.254	0.000	1
433	1	45	ASP	CA	C	53.850	0.000	1
434	1	45	ASP	CB	C	41.315	0.000	1
435	1	45	ASP	N	N	119.877	0.000	1
436	1	46	GLY	H	H	8.186	0.003	1
437	1	46	GLY	HA2	H	4.475	0.000	2
438	1	46	GLY	HA3	H	3.816	0.048	2
439	1	46	GLY	C	C	173.620	0.000	1
440	1	46	GLY	CA	C	44.124	0.000	1
441	1	46	GLY	N	N	108.706	0.016	1
442	1	47	PRO	HA	H	4.572	0.000	1
443	1	47	PRO	HB2	H	1.741	0.000	2
444	1	47	PRO	HB3	H	1.675	0.000	2
445	1	47	PRO	HG2	H	1.326	0.000	2
446	1	47	PRO	HG3	H	1.260	0.000	2
447	1	47	PRO	HD2	H	3.078	0.000	1
448	1	47	PRO	C	C	174.874	0.000	1
449	1	47	PRO	CA	C	62.641	0.000	1
450	1	47	PRO	CB	C	28.970	0.000	1
451	1	47	PRO	CG	C	24.451	0.000	1
452	1	48	TYR	H	H	7.459	0.002	1
453	1	48	TYR	HA	H	4.561	0.031	1
454	1	48	TYR	HB2	H	2.378	0.000	2
455	1	48	TYR	HB3	H	2.296	0.000	2
456	1	48	TYR	HD1	H	7.077	0.015	1
457	1	48	TYR	HD2	H	7.077	0.015	1
458	1	48	TYR	HE1	H	6.858	0.035	1
459	1	48	TYR	HE2	H	6.858	0.035	1
460	1	48	TYR	C	C	175.674	0.000	1
461	1	48	TYR	CA	C	56.657	0.000	1
462	1	48	TYR	CB	C	40.421	0.000	1
463	1	48	TYR	N	N	120.290	0.000	1
464	1	49	ALA	H	H	8.509	0.000	1
465	1	49	ALA	HA	H	4.346	0.020	1
466	1	49	ALA	HB1	H	1.546	0.011	1
467	1	49	ALA	HB2	H	1.546	0.011	1
468	1	49	ALA	HB3	H	1.546	0.011	1
469	1	49	ALA	C	C	177.075	0.000	1
470	1	49	ALA	CA	C	51.532	0.000	1
471	1	49	ALA	CB	C	18.934	0.000	1
472	1	49	ALA	N	N	127.230	0.000	1
473	1	50	ASP	H	H	8.374	0.005	1
474	1	50	ASP	HA	H	4.701	0.036	1
475	1	50	ASP	HB2	H	2.579	0.000	1
476	1	50	ASP	HB3	H	2.579	0.000	1
477	1	50	ASP	C	C	176.070	0.000	1
478	1	50	ASP	CA	C	53.801	0.000	1
479	1	50	ASP	CB	C	39.517	0.000	1
480	1	50	ASP	N	N	117.612	0.000	1
481	1	51	GLN	H	H	8.730	0.003	1
482	1	51	GLN	HA	H	4.934	0.026	1
483	1	51	GLN	HB2	H	2.162	0.026	1
484	1	51	GLN	HG2	H	2.557	0.038	1
485	1	51	GLN	HE21	H	6.971	0.002	1
486	1	51	GLN	HE22	H	6.880	0.002	1
487	1	51	GLN	C	C	174.198	0.000	1
488	1	51	GLN	CA	C	56.331	0.000	1
489	1	51	GLN	CB	C	31.979	0.000	1
490	1	51	GLN	CG	C	33.364	0.000	1
491	1	51	GLN	N	N	120.374	0.105	1
492	1	51	GLN	NE2	N	114.104	0.062	1
493	1	52	TYR	H	H	8.069	0.003	1
494	1	52	TYR	HA	H	4.406	0.069	1
495	1	52	TYR	HB2	H	1.704	0.000	2
496	1	52	TYR	HB3	H	1.652	0.000	2
497	1	52	TYR	C	C	177.838	0.000	1
498	1	52	TYR	CA	C	55.030	0.000	1
499	1	52	TYR	CB	C	41.328	0.000	1
500	1	52	TYR	N	N	121.463	0.000	1
501	1	53	MET	H	H	8.167	0.003	1
502	1	53	MET	HA	H	4.287	0.024	1
503	1	53	MET	C	C	172.844	0.000	1
504	1	53	MET	CA	C	58.154	0.000	1
505	1	53	MET	CB	C	29.618	0.000	1
506	1	53	MET	N	N	115.880	0.000	1
507	1	54	SER	H	H	8.554	0.003	1
508	1	54	SER	HA	H	4.424	0.001	1
509	1	54	SER	HB2	H	4.091	0.030	2
510	1	54	SER	HB3	H	3.906	0.018	2
511	1	54	SER	C	C	173.517	0.000	1
512	1	54	SER	CA	C	56.986	0.000	1
513	1	54	SER	CB	C	64.202	0.000	1
514	1	54	SER	N	N	117.637	0.000	1
515	1	55	ALA	H	H	8.957	0.002	1
516	1	55	ALA	HA	H	4.570	0.000	1
517	1	55	ALA	HB1	H	1.369	0.005	1
518	1	55	ALA	HB2	H	1.369	0.005	1
519	1	55	ALA	HB3	H	1.369	0.005	1
520	1	55	ALA	C	C	170.941	0.000	1
521	1	55	ALA	CA	C	54.858	0.000	1
522	1	55	ALA	CB	C	17.097	0.000	1
523	1	55	ALA	N	N	122.080	0.000	1
524	1	56	GLN	H	H	8.258	0.006	1
525	1	56	GLN	HA	H	4.107	0.049	1
526	1	56	GLN	HB2	H	2.148	0.000	2
527	1	56	GLN	HB3	H	2.029	0.060	2
528	1	56	GLN	HG2	H	2.382	0.026	1
529	1	56	GLN	HE21	H	7.396	0.001	1
530	1	56	GLN	HE22	H	6.820	0.003	1
531	1	56	GLN	C	C	177.638	0.000	1
532	1	56	GLN	CA	C	58.600	0.000	1
533	1	56	GLN	CB	C	27.396	0.000	1
534	1	56	GLN	CG	C	33.564	0.000	1
535	1	56	GLN	N	N	116.693	0.000	1
536	1	56	GLN	NE2	N	111.577	0.030	1
537	1	57	THR	H	H	7.640	0.005	1
538	1	57	THR	HA	H	3.639	0.023	1
539	1	57	THR	HB	H	4.101	0.004	1
540	1	57	THR	HG21	H	0.863	0.000	1
541	1	57	THR	HG22	H	0.863	0.000	1
542	1	57	THR	HG23	H	0.863	0.000	1
543	1	57	THR	C	C	176.145	0.000	1
544	1	57	THR	CA	C	66.048	0.000	1
545	1	57	THR	CB	C	67.502	0.000	1
546	1	57	THR	N	N	118.870	0.000	1
547	1	58	VAL	H	H	8.403	0.005	1
548	1	58	VAL	HA	H	3.144	0.000	1
549	1	58	VAL	HB	H	2.101	0.004	1
550	1	58	VAL	HG11	H	0.862	0.025	2
551	1	58	VAL	HG12	H	0.862	0.025	2
552	1	58	VAL	HG13	H	0.862	0.025	2
553	1	58	VAL	HG21	H	0.135	0.089	2
554	1	58	VAL	HG22	H	0.135	0.089	2
555	1	58	VAL	HG23	H	0.135	0.089	2
556	1	58	VAL	C	C	178.466	0.000	1
557	1	58	VAL	CA	C	66.770	0.000	1
558	1	58	VAL	CB	C	31.114	0.000	1
559	1	58	VAL	CG1	C	18.375	0.000	2
560	1	58	VAL	CG2	C	21.609	0.000	2
561	1	58	VAL	N	N	121.160	0.000	1
562	1	59	ALA	H	H	7.725	0.003	1
563	1	59	ALA	HA	H	4.079	0.032	1
564	1	59	ALA	HB1	H	1.440	0.000	1
565	1	59	ALA	HB2	H	1.440	0.000	1
566	1	59	ALA	HB3	H	1.440	0.000	1
567	1	59	ALA	C	C	179.384	0.000	1
568	1	59	ALA	CA	C	54.390	0.000	1
569	1	59	ALA	CB	C	17.588	0.000	1
570	1	59	ALA	N	N	120.520	0.000	1
571	1	60	VAL	H	H	7.618	0.007	1
572	1	60	VAL	HA	H	3.802	0.000	1
573	1	60	VAL	HB	H	1.842	0.000	1
574	1	60	VAL	HG11	H	0.956	0.039	2
575	1	60	VAL	HG12	H	0.956	0.039	2
576	1	60	VAL	HG13	H	0.956	0.039	2
577	1	60	VAL	HG21	H	0.655	0.018	2
578	1	60	VAL	HG22	H	0.655	0.018	2
579	1	60	VAL	HG23	H	0.655	0.018	2
580	1	60	VAL	C	C	178.307	0.000	1
581	1	60	VAL	CA	C	64.303	0.000	1
582	1	60	VAL	CB	C	31.599	0.000	1
583	1	60	VAL	CG1	C	20.459	0.000	2
584	1	60	VAL	CG2	C	22.091	0.000	2
585	1	60	VAL	N	N	115.140	0.000	1
586	1	61	PHE	H	H	8.224	0.007	1
587	1	61	PHE	HA	H	4.570	0.006	1
588	1	61	PHE	HB2	H	2.745	0.031	2
589	1	61	PHE	HB3	H	3.446	0.000	2
590	1	61	PHE	C	C	175.351	0.000	1
591	1	61	PHE	CA	C	57.639	0.000	1
592	1	61	PHE	CB	C	38.560	0.000	1
593	1	61	PHE	N	N	116.750	0.000	1
594	1	62	LYS	H	H	8.174	0.005	1
595	1	62	LYS	HA	H	3.911	0.000	1
596	1	62	LYS	HB2	H	1.940	0.000	2
597	1	62	LYS	HB3	H	2.125	0.000	2
598	1	62	LYS	HG2	H	1.294	0.000	2
599	1	62	LYS	HG3	H	1.674	0.000	2
600	1	62	LYS	C	C	173.360	0.000	1
601	1	62	LYS	CA	C	55.843	0.000	1
602	1	62	LYS	CB	C	29.305	0.000	1
603	1	62	LYS	N	N	112.283	0.000	1
604	1	63	PRO	C	C	175.203	0.000	1
605	1	63	PRO	CA	C	62.236	0.000	1
606	1	63	PRO	CB	C	31.581	0.000	1
607	1	64	GLU	H	H	7.270	0.001	1
608	1	64	GLU	HA	H	4.550	0.017	1
609	1	64	GLU	HB2	H	1.820	0.036	1
610	1	64	GLU	HG2	H	2.386	0.065	1
611	1	64	GLU	C	C	175.705	0.000	1
612	1	64	GLU	CA	C	52.951	0.000	1
613	1	64	GLU	CB	C	32.493	0.000	1
614	1	64	GLU	N	N	115.053	0.000	1
615	1	65	VAL	H	H	8.461	0.007	1
616	1	65	VAL	HA	H	3.170	0.018	1
617	1	65	VAL	HB	H	2.072	0.003	1
618	1	65	VAL	HG11	H	0.898	0.012	1
619	1	65	VAL	HG12	H	0.898	0.012	1
620	1	65	VAL	HG13	H	0.898	0.012	1
621	1	65	VAL	C	C	177.488	0.000	1
622	1	65	VAL	CA	C	65.183	0.000	1
623	1	65	VAL	CB	C	30.781	0.000	1
624	1	65	VAL	N	N	120.930	0.000	1
625	1	66	GLY	H	H	8.925	0.006	1
626	1	66	GLY	HA2	H	3.422	0.008	2
627	1	66	GLY	HA3	H	4.349	0.013	2
628	1	66	GLY	C	C	174.393	0.000	1
629	1	66	GLY	CA	C	44.559	0.000	1
630	1	66	GLY	N	N	117.505	0.013	1
631	1	67	GLY	H	H	7.899	0.003	1
632	1	67	GLY	HA2	H	4.193	0.032	2
633	1	67	GLY	HA3	H	4.262	0.021	2
634	1	67	GLY	C	C	170.972	0.000	1
635	1	67	GLY	CA	C	44.117	0.000	1
636	1	67	GLY	N	N	103.953	0.000	1
637	1	68	TYR	H	H	8.412	0.004	1
638	1	68	TYR	HA	H	4.702	0.004	1
639	1	68	TYR	HB2	H	2.552	0.000	2
640	1	68	TYR	HB3	H	3.613	0.047	2
641	1	68	TYR	HD1	H	6.092	0.040	1
642	1	68	TYR	HD2	H	6.092	0.040	1
643	1	68	TYR	HE1	H	5.836	0.054	1
644	1	68	TYR	HE2	H	5.836	0.054	1
645	1	68	TYR	C	C	175.946	0.000	1
646	1	68	TYR	CA	C	57.214	0.000	1
647	1	68	TYR	CB	C	39.033	0.000	1
648	1	68	TYR	N	N	115.282	0.127	1
649	1	69	LEU	H	H	7.995	0.018	1
650	1	69	LEU	HA	H	5.236	0.058	1
651	1	69	LEU	HB2	H	1.635	0.014	2
652	1	69	LEU	HB3	H	1.795	0.000	2
653	1	69	LEU	HD11	H	1.088	0.066	2
654	1	69	LEU	HD12	H	1.088	0.066	2
655	1	69	LEU	HD13	H	1.088	0.066	2
656	1	69	LEU	HD21	H	0.967	0.000	2
657	1	69	LEU	HD22	H	0.967	0.000	2
658	1	69	LEU	HD23	H	0.967	0.000	2
659	1	69	LEU	C	C	175.779	0.000	1
660	1	69	LEU	CA	C	58.665	0.000	1
661	1	69	LEU	CB	C	45.032	0.000	1
662	1	69	LEU	N	N	120.333	0.169	1
663	1	70	PHE	H	H	8.936	0.005	1
664	1	70	PHE	HA	H	5.977	0.042	1
665	1	70	PHE	HB2	H	2.118	0.000	2
666	1	70	PHE	HB3	H	3.823	0.042	2
667	1	70	PHE	HD1	H	6.596	0.021	1
668	1	70	PHE	HD2	H	6.596	0.021	1
669	1	70	PHE	C	C	172.668	0.000	1
670	1	70	PHE	CA	C	55.267	0.000	1
671	1	70	PHE	CB	C	41.986	0.000	1
672	1	70	PHE	N	N	116.140	0.000	1
673	1	71	ARG	H	H	9.195	0.002	1
674	1	71	ARG	HA	H	5.394	0.034	1
675	1	71	ARG	HB2	H	2.139	0.000	2
676	1	71	ARG	HB3	H	2.008	0.062	2
677	1	71	ARG	HG2	H	1.769	0.000	2
678	1	71	ARG	HG3	H	1.930	0.051	2
679	1	71	ARG	HD2	H	3.200	0.000	1
680	1	71	ARG	C	C	177.715	0.000	1
681	1	71	ARG	CA	C	52.895	0.000	1
682	1	71	ARG	CB	C	31.990	0.000	1
683	1	71	ARG	CG	C	30.336	0.000	1
684	1	71	ARG	CD	C	43.551	0.000	1
685	1	71	ARG	N	N	117.753	0.000	1
686	1	72	SER	H	H	8.749	0.003	1
687	1	72	SER	HA	H	4.813	0.007	1
688	1	72	SER	HB2	H	4.061	0.082	2
689	1	72	SER	HB3	H	4.056	0.067	2
690	1	72	SER	C	C	176.189	0.000	1
691	1	72	SER	CA	C	56.351	0.000	1
692	1	72	SER	CB	C	65.497	0.000	1
693	1	72	SER	N	N	118.080	0.000	1
694	1	73	GLN	H	H	9.487	0.002	1
695	1	73	GLN	HA	H	3.996	0.017	1
696	1	73	GLN	HB2	H	1.860	0.000	1
697	1	73	GLN	HE21	H	6.407	0.000	1
698	1	73	GLN	HE22	H	6.305	0.001	1
699	1	73	GLN	C	C	175.947	0.000	1
700	1	73	GLN	CA	C	57.674	0.000	1
701	1	73	GLN	CB	C	27.568	0.000	1
702	1	73	GLN	N	N	120.271	0.029	1
703	1	73	GLN	NE2	N	112.743	0.028	1
704	1	74	TYR	H	H	7.599	0.008	1
705	1	74	TYR	HA	H	4.704	0.020	1
706	1	74	TYR	HB2	H	2.665	0.000	1
707	1	74	TYR	HB3	H	2.665	0.000	1
708	1	74	TYR	C	C	176.353	0.000	1
709	1	74	TYR	CA	C	56.664	0.000	1
710	1	74	TYR	CB	C	37.297	0.000	1
711	1	74	TYR	N	N	116.268	0.087	1
712	1	75	GLY	H	H	7.912	0.006	1
713	1	75	GLY	HA2	H	4.036	0.000	2
714	1	75	GLY	HA3	H	3.366	0.038	2
715	1	75	GLY	C	C	174.076	0.000	1
716	1	75	GLY	CA	C	45.026	0.000	1
717	1	75	GLY	N	N	107.904	0.111	1
718	1	76	GLU	H	H	7.392	0.009	1
719	1	76	GLU	HA	H	4.224	0.000	1
720	1	76	GLU	HB2	H	1.931	0.000	2
721	1	76	GLU	HB3	H	1.914	0.022	2
722	1	76	GLU	HG2	H	2.279	0.000	2
723	1	76	GLU	HG3	H	2.407	0.000	2
724	1	76	GLU	C	C	174.703	0.000	1
725	1	76	GLU	CA	C	55.459	0.000	1
726	1	76	GLU	CB	C	29.659	0.000	1
727	1	76	GLU	CG	C	34.193	0.000	1
728	1	76	GLU	N	N	120.750	0.000	1
729	1	77	LEU	H	H	8.405	0.022	1
730	1	77	LEU	HA	H	4.588	0.058	1
731	1	77	LEU	HB2	H	1.991	0.000	2
732	1	77	LEU	HB3	H	1.876	0.000	2
733	1	77	LEU	HG	H	1.493	0.061	1
734	1	77	LEU	HD11	H	0.489	0.063	2
735	1	77	LEU	HD12	H	0.489	0.063	2
736	1	77	LEU	HD13	H	0.489	0.063	2
737	1	77	LEU	HD21	H	1.176	0.029	2
738	1	77	LEU	HD22	H	1.176	0.029	2
739	1	77	LEU	HD23	H	1.176	0.029	2
740	1	77	LEU	C	C	174.396	0.000	1
741	1	77	LEU	CA	C	54.396	0.000	1
742	1	77	LEU	CB	C	41.969	0.000	1
743	1	77	LEU	CG	C	28.782	0.000	1
744	1	77	LEU	CD1	C	25.446	0.000	1
745	1	77	LEU	N	N	126.100	0.000	1
746	1	78	LEU	H	H	9.005	0.001	1
747	1	78	LEU	HA	H	4.233	0.001	1
748	1	78	LEU	HB2	H	1.343	0.038	1
749	1	78	LEU	HG	H	1.388	0.001	1
750	1	78	LEU	HD11	H	1.403	0.014	2
751	1	78	LEU	HD12	H	1.403	0.014	2
752	1	78	LEU	HD13	H	1.403	0.014	2
753	1	78	LEU	HD21	H	0.737	0.005	2
754	1	78	LEU	HD22	H	0.737	0.005	2
755	1	78	LEU	HD23	H	0.737	0.005	2
756	1	78	LEU	C	C	173.073	0.000	1
757	1	78	LEU	CA	C	53.221	0.000	1
758	1	78	LEU	CB	C	44.522	0.000	1
759	1	78	LEU	CG	C	25.179	0.000	1
760	1	78	LEU	CD1	C	19.213	0.000	1
761	1	78	LEU	N	N	128.807	0.000	1
762	1	79	TYR	H	H	6.076	0.048	1
763	1	79	TYR	HA	H	5.493	0.036	1
764	1	79	TYR	HB2	H	3.111	0.000	2
765	1	79	TYR	HB3	H	2.800	0.011	2
766	1	79	TYR	HD1	H	6.838	0.000	1
767	1	79	TYR	HD2	H	6.838	0.000	1
768	1	79	TYR	C	C	175.025	0.000	1
769	1	79	TYR	CA	C	55.337	0.000	1
770	1	79	TYR	CB	C	41.662	0.000	1
771	1	79	TYR	N	N	115.560	0.098	1
772	1	80	MET	H	H	8.193	0.003	1
773	1	80	MET	HA	H	4.223	0.067	1
774	1	80	MET	HB2	H	2.440	0.000	2
775	1	80	MET	HB3	H	2.463	0.000	2
776	1	80	MET	HE1	H	2.099	0.020	1
777	1	80	MET	HE2	H	2.099	0.020	1
778	1	80	MET	HE3	H	2.099	0.020	1
779	1	80	MET	C	C	172.571	0.000	1
780	1	80	MET	CA	C	54.889	0.000	1
781	1	80	MET	CB	C	38.547	0.000	1
782	1	80	MET	N	N	127.440	0.000	1
783	1	81	SER	H	H	8.449	0.003	1
784	1	81	SER	HA	H	4.469	0.000	1
785	1	81	SER	HB2	H	3.903	0.000	2
786	1	81	SER	HB3	H	3.854	0.000	2
787	1	81	SER	C	C	173.168	0.000	1
788	1	81	SER	CA	C	57.358	0.000	1
789	1	81	SER	CB	C	63.931	0.000	1
790	1	81	SER	N	N	116.690	0.000	1
791	1	82	LYS	H	H	8.989	0.003	1
792	1	82	LYS	HA	H	4.279	0.000	1
793	1	82	LYS	HB2	H	2.037	0.065	2
794	1	82	LYS	HB3	H	1.973	0.077	2
795	1	82	LYS	HG2	H	1.108	0.000	2
796	1	82	LYS	HG3	H	1.734	0.008	2
797	1	82	LYS	C	C	178.359	0.000	1
798	1	82	LYS	CA	C	60.555	0.000	1
799	1	82	LYS	CB	C	32.088	0.000	1
800	1	82	LYS	CG	C	27.247	0.000	1
801	1	82	LYS	N	N	121.540	0.000	1
802	1	83	THR	H	H	8.080	0.008	1
803	1	83	THR	HA	H	3.940	0.000	1
804	1	83	THR	HB	H	4.057	0.002	1
805	1	83	THR	HG21	H	1.239	0.004	1
806	1	83	THR	HG22	H	1.239	0.004	1
807	1	83	THR	HG23	H	1.239	0.004	1
808	1	83	THR	C	C	177.335	0.000	1
809	1	83	THR	CA	C	64.701	0.000	1
810	1	83	THR	CB	C	68.192	0.000	1
811	1	83	THR	N	N	108.410	0.000	1
812	1	84	ALA	H	H	7.486	0.004	1
813	1	84	ALA	HA	H	4.082	0.011	1
814	1	84	ALA	HB1	H	1.408	0.007	1
815	1	84	ALA	HB2	H	1.408	0.007	1
816	1	84	ALA	HB3	H	1.408	0.007	1
817	1	84	ALA	C	C	179.705	0.000	1
818	1	84	ALA	CA	C	54.295	0.000	1
819	1	84	ALA	CB	C	17.602	0.000	1
820	1	84	ALA	N	N	124.120	0.000	1
821	1	85	PHE	H	H	8.926	0.006	1
822	1	85	PHE	HA	H	4.904	0.004	1
823	1	85	PHE	HB2	H	2.478	0.006	2
824	1	85	PHE	HB3	H	2.870	0.000	2
825	1	85	PHE	C	C	178.112	0.000	1
826	1	85	PHE	CA	C	62.282	0.000	1
827	1	85	PHE	N	N	120.357	0.042	1
828	1	86	GLU	H	H	8.101	0.002	1
829	1	86	GLU	HA	H	3.958	0.000	1
830	1	86	GLU	HB2	H	2.278	0.000	1
831	1	86	GLU	HB3	H	2.278	0.000	1
832	1	86	GLU	HG2	H	2.620	0.000	2
833	1	86	GLU	HG3	H	2.472	0.002	2
834	1	86	GLU	C	C	177.691	0.000	1
835	1	86	GLU	CA	C	57.449	0.000	1
836	1	86	GLU	CB	C	27.778	0.000	1
837	1	86	GLU	CG	C	34.568	0.000	1
838	1	86	GLU	N	N	114.163	0.000	1
839	1	87	ALA	H	H	7.235	0.002	1
840	1	87	ALA	HA	H	4.223	0.000	1
841	1	87	ALA	HB1	H	1.357	0.001	1
842	1	87	ALA	HB2	H	1.357	0.001	1
843	1	87	ALA	HB3	H	1.357	0.001	1
844	1	87	ALA	C	C	178.301	0.000	1
845	1	87	ALA	CA	C	52.869	0.000	1
846	1	87	ALA	CB	C	18.452	0.000	1
847	1	87	ALA	N	N	117.940	0.000	1
848	1	88	ASN	H	H	7.136	0.002	1
849	1	88	ASN	HA	H	4.452	0.039	1
850	1	88	ASN	HB2	H	2.215	0.052	2
851	1	88	ASN	HB3	H	1.843	0.003	2
852	1	88	ASN	HD21	H	7.565	0.072	1
853	1	88	ASN	HD22	H	6.836	0.009	1
854	1	88	ASN	C	C	173.898	0.000	1
855	1	88	ASN	CA	C	54.170	0.000	1
856	1	88	ASN	CB	C	42.195	0.000	1
857	1	88	ASN	N	N	114.470	0.000	1
858	1	88	ASN	ND2	N	112.296	0.038	1
859	1	89	TYR	H	H	7.823	0.006	1
860	1	89	TYR	HA	H	4.497	0.025	1
861	1	89	TYR	HB2	H	3.171	0.030	1
862	1	89	TYR	HD1	H	6.838	0.005	1
863	1	89	TYR	HD2	H	6.838	0.005	1
864	1	89	TYR	HE1	H	5.982	0.042	1
865	1	89	TYR	HE2	H	5.982	0.042	1
866	1	89	TYR	C	C	174.861	0.000	1
867	1	89	TYR	CA	C	57.214	0.000	1
868	1	89	TYR	CB	C	39.621	0.000	1
869	1	89	TYR	N	N	117.490	0.000	1
870	1	90	THR	H	H	8.581	0.003	1
871	1	90	THR	HA	H	4.642	0.000	1
872	1	90	THR	HB	H	4.483	0.000	1
873	1	90	THR	HG21	H	1.141	0.026	1
874	1	90	THR	HG22	H	1.141	0.026	1
875	1	90	THR	HG23	H	1.141	0.026	1
876	1	90	THR	C	C	174.279	0.000	1
877	1	90	THR	CA	C	59.895	0.000	1
878	1	90	THR	CB	C	71.165	0.000	1
879	1	90	THR	CG2	C	21.430	0.000	1
880	1	90	THR	N	N	113.180	0.000	1
881	1	91	SER	H	H	8.946	0.003	1
882	1	91	SER	HA	H	5.007	0.039	1
883	1	91	SER	HB2	H	3.674	0.004	2
884	1	91	SER	HB3	H	3.812	0.000	2
885	1	91	SER	C	C	175.006	0.000	1
886	1	91	SER	CA	C	59.492	0.000	1
887	1	91	SER	CB	C	62.763	0.000	1
888	1	91	SER	N	N	119.783	0.000	1
889	1	92	ALA	H	H	8.297	0.005	1
890	1	92	ALA	HA	H	4.484	0.008	1
891	1	92	ALA	HB1	H	1.257	0.000	1
892	1	92	ALA	HB2	H	1.257	0.000	1
893	1	92	ALA	HB3	H	1.257	0.000	1
894	1	92	ALA	C	C	176.868	0.000	1
895	1	92	ALA	CA	C	51.450	0.000	1
896	1	92	ALA	CB	C	19.144	0.000	1
897	1	92	ALA	N	N	128.480	0.000	1
898	1	93	SER	H	H	8.016	0.006	1
899	1	93	SER	HA	H	4.435	0.000	1
900	1	93	SER	HB2	H	3.863	0.000	1
901	1	93	SER	HB3	H	3.863	0.000	1
902	1	93	SER	C	C	175.015	0.000	1
903	1	93	SER	CA	C	58.124	0.000	1
904	1	93	SER	CB	C	63.251	0.000	1
905	1	93	SER	N	N	114.160	0.000	1
906	1	94	GLY	H	H	8.316	0.002	1
907	1	94	GLY	HA2	H	3.974	0.008	1
908	1	94	GLY	C	C	174.212	0.000	1
909	1	94	GLY	CA	C	45.018	0.000	1
910	1	94	GLY	N	N	110.173	0.051	1
911	1	95	SER	H	H	8.149	0.000	1
912	1	95	SER	HA	H	4.466	0.000	1
913	1	95	SER	HB2	H	3.918	0.000	2
914	1	95	SER	HB3	H	3.854	0.000	2
915	1	95	SER	C	C	174.690	0.000	1
916	1	95	SER	CA	C	58.130	0.000	1
917	1	95	SER	CB	C	63.246	0.000	1
918	1	95	SER	N	N	115.570	0.000	1
919	1	96	VAL	H	H	8.046	0.002	1
920	1	96	VAL	HA	H	4.113	0.024	1
921	1	96	VAL	HB	H	2.049	0.000	1
922	1	96	VAL	HG11	H	0.862	0.000	2
923	1	96	VAL	HG12	H	0.862	0.000	2
924	1	96	VAL	HG13	H	0.862	0.000	2
925	1	96	VAL	HG21	H	0.693	0.000	2
926	1	96	VAL	HG22	H	0.693	0.000	2
927	1	96	VAL	HG23	H	0.693	0.000	2
928	1	96	VAL	C	C	176.126	0.000	1
929	1	96	VAL	CA	C	61.966	0.000	1
930	1	96	VAL	CB	C	32.012	0.000	1
931	1	96	VAL	CG1	C	21.025	0.000	2
932	1	96	VAL	CG2	C	21.087	0.000	2
933	1	96	VAL	N	N	121.250	0.000	1
934	1	97	ALA	H	H	8.224	0.001	1
935	1	97	ALA	HA	H	4.232	0.000	1
936	1	97	ALA	HB1	H	1.314	0.001	1
937	1	97	ALA	HB2	H	1.314	0.001	1
938	1	97	ALA	HB3	H	1.314	0.001	1
939	1	97	ALA	C	C	177.666	0.000	1
940	1	97	ALA	CA	C	52.386	0.000	1
941	1	97	ALA	CB	C	18.497	0.000	1
942	1	97	ALA	N	N	126.510	0.000	1
943	1	98	ASN	H	H	8.199	0.002	1
944	1	98	ASN	HA	H	4.643	0.029	1
945	1	98	ASN	HB2	H	2.783	0.004	1
946	1	98	ASN	HB3	H	2.783	0.004	1
947	1	98	ASN	HD21	H	7.556	0.039	1
948	1	98	ASN	HD22	H	6.857	0.047	1
949	1	98	ASN	C	C	175.178	0.000	1
950	1	98	ASN	CA	C	52.979	0.000	1
951	1	98	ASN	CB	C	38.518	0.000	1
952	1	98	ASN	N	N	117.400	0.000	1
953	1	98	ASN	ND2	N	111.418	0.176	1
954	1	99	ALA	H	H	8.164	0.001	1
955	1	99	ALA	HA	H	4.228	0.000	1
956	1	99	ALA	HB1	H	1.360	0.000	1
957	1	99	ALA	HB2	H	1.360	0.000	1
958	1	99	ALA	HB3	H	1.360	0.000	1
959	1	99	ALA	C	C	178.005	0.000	1
960	1	99	ALA	CA	C	52.603	0.000	1
961	1	99	ALA	CB	C	18.493	0.000	1
962	1	99	ALA	N	N	123.800	0.000	1
963	1	100	GLU	H	H	8.271	0.001	1
964	1	100	GLU	HA	H	4.390	0.000	1
965	1	100	GLU	HB2	H	2.003	0.000	2
966	1	100	GLU	HB3	H	1.904	0.000	2
967	1	100	GLU	HG2	H	2.394	0.012	2
968	1	100	GLU	HG3	H	2.407	0.020	2
969	1	100	GLU	C	C	176.758	0.000	1
970	1	100	GLU	CA	C	56.060	0.000	1
971	1	100	GLU	CB	C	28.467	0.000	1
972	1	100	GLU	CG	C	33.773	0.000	1
973	1	100	GLU	N	N	118.560	0.000	1
974	1	101	THR	H	H	7.939	0.001	1
975	1	101	THR	HA	H	4.258	0.000	1
976	1	101	THR	HB	H	3.548	0.000	1
977	1	101	THR	HG21	H	0.915	0.000	1
978	1	101	THR	HG22	H	0.915	0.000	1
979	1	101	THR	HG23	H	0.915	0.000	1
980	1	101	THR	C	C	174.750	0.000	1
981	1	101	THR	CA	C	61.636	0.000	1
982	1	101	THR	CB	C	69.313	0.000	1
983	1	101	THR	CG2	C	21.139	0.000	1
984	1	101	THR	N	N	113.940	0.000	1
985	1	102	ALA	H	H	8.179	0.001	1
986	1	102	ALA	HA	H	4.246	0.011	1
987	1	102	ALA	HB1	H	1.369	0.000	1
988	1	102	ALA	HB2	H	1.369	0.000	1
989	1	102	ALA	HB3	H	1.369	0.000	1
990	1	102	ALA	C	C	177.836	0.000	1
991	1	102	ALA	CA	C	52.795	0.000	1
992	1	102	ALA	CB	C	18.494	0.000	1
993	1	102	ALA	N	N	125.200	0.000	1
994	1	103	ASP	H	H	8.228	0.000	1
995	1	103	ASP	HA	H	4.543	0.000	1
996	1	103	ASP	HB2	H	2.727	0.003	1
997	1	103	ASP	HB3	H	2.727	0.003	1
998	1	103	ASP	C	C	176.133	0.000	1
999	1	103	ASP	CA	C	53.909	0.000	1
1000	1	103	ASP	CB	C	39.214	0.000	1
1001	1	103	ASP	N	N	117.960	0.000	1
1002	1	104	LYS	H	H	8.065	0.003	1
1003	1	104	LYS	HA	H	4.247	0.000	1
1004	1	104	LYS	HB2	H	1.762	0.014	2
1005	1	104	LYS	HB3	H	1.804	0.028	2
1006	1	104	LYS	HG2	H	1.455	0.039	1
1007	1	104	LYS	HD2	H	1.675	0.000	1
1008	1	104	LYS	HE2	H	3.001	0.000	1
1009	1	104	LYS	C	C	176.223	0.000	1
1010	1	104	LYS	CA	C	56.284	0.000	1
1011	1	104	LYS	CB	C	31.941	0.000	1
1012	1	104	LYS	CG	C	24.984	0.000	1
1013	1	104	LYS	CD	C	28.856	0.000	1
1014	1	104	LYS	CE	C	41.973	0.000	1
1015	1	104	LYS	N	N	120.779	0.002	1
1016	1	105	LEU	H	H	8.165	0.000	1
1017	1	105	LEU	HA	H	4.262	0.000	1
1018	1	105	LEU	C	C	177.796	0.000	1
1019	1	105	LEU	CA	C	55.014	0.000	1
1020	1	105	LEU	CB	C	41.350	0.000	1
1021	1	105	LEU	N	N	115.526	0.000	1
1022	1	106	SER	H	H	8.015	0.002	1
1023	1	106	SER	HA	H	4.455	0.026	1
1024	1	106	SER	HB2	H	3.878	0.029	1
1025	1	106	SER	HB3	H	3.878	0.029	1
1026	1	106	SER	C	C	175.190	0.000	1
1027	1	106	SER	CA	C	58.477	0.000	1
1028	1	106	SER	CB	C	63.024	0.000	1
1029	1	106	SER	N	N	114.180	0.000	1
1030	1	107	THR	H	H	8.010	0.005	1
1031	1	107	THR	HA	H	4.269	0.011	1
1032	1	107	THR	HB	H	4.134	0.000	1
1033	1	107	THR	HG21	H	1.237	0.020	1
1034	1	107	THR	HG22	H	1.237	0.020	1
1035	1	107	THR	HG23	H	1.237	0.020	1
1036	1	107	THR	C	C	174.543	0.000	1
1037	1	107	THR	CA	C	61.458	0.000	1
1038	1	107	THR	CB	C	69.306	0.000	1
1039	1	107	THR	CG2	C	21.204	0.000	1
1040	1	107	THR	N	N	115.003	0.000	1
1041	1	108	ALA	H	H	8.092	0.000	1
1042	1	108	ALA	HA	H	4.286	0.005	1
1043	1	108	ALA	HB1	H	1.346	0.000	1
1044	1	108	ALA	HB2	H	1.346	0.000	1
1045	1	108	ALA	HB3	H	1.346	0.000	1
1046	1	108	ALA	C	C	177.792	0.000	1
1047	1	108	ALA	CA	C	52.511	0.000	1
1048	1	108	ALA	CB	C	18.608	0.000	1
1049	1	108	ALA	N	N	125.590	0.000	1
1050	1	109	ARG	H	H	8.158	0.005	1
1051	1	109	ARG	HA	H	4.348	0.000	1
1052	1	109	ARG	HB2	H	1.791	0.000	2
1053	1	109	ARG	HB3	H	1.839	0.000	2
1054	1	109	ARG	HG2	H	1.668	0.000	2
1055	1	109	ARG	HG3	H	1.612	0.025	2
1056	1	109	ARG	HD2	H	3.208	0.000	1
1057	1	109	ARG	HD3	H	3.208	0.000	1
1058	1	109	ARG	C	C	176.543	0.000	1
1059	1	109	ARG	CA	C	55.789	0.000	1
1060	1	109	ARG	CB	C	30.148	0.000	1
1061	1	109	ARG	CG	C	27.133	0.000	1
1062	1	109	ARG	CD	C	43.315	0.000	1
1063	1	109	ARG	N	N	119.730	0.000	1
1064	1	110	THR	H	H	8.090	0.001	1
1065	1	110	THR	HA	H	4.282	0.000	1
1066	1	110	THR	HB	H	4.134	0.000	1
1067	1	110	THR	HG21	H	0.919	0.000	1
1068	1	110	THR	HG22	H	0.919	0.000	1
1069	1	110	THR	HG23	H	0.919	0.000	1
1070	1	110	THR	C	C	174.538	0.000	1
1071	1	110	THR	CA	C	61.832	0.000	1
1072	1	110	THR	CB	C	69.307	0.000	1
1073	1	110	THR	CG2	C	20.506	0.000	1
1074	1	110	THR	N	N	115.660	0.000	1
1075	1	111	ILE	H	H	8.145	0.000	1
1076	1	111	ILE	HA	H	4.200	0.029	1
1077	1	111	ILE	HB	H	1.836	0.000	1
1078	1	111	ILE	HG12	H	0.918	0.000	1
1079	1	111	ILE	HD11	H	0.794	0.000	1
1080	1	111	ILE	HD12	H	0.794	0.000	1
1081	1	111	ILE	HD13	H	0.794	0.000	1
1082	1	111	ILE	C	C	176.255	0.000	1
1083	1	111	ILE	CA	C	60.914	0.000	1
1084	1	111	ILE	CB	C	38.067	0.000	1
1085	1	111	ILE	CG1	C	28.321	0.000	1
1086	1	111	ILE	CG2	C	18.510	0.000	1
1087	1	111	ILE	CD1	C	13.742	0.000	1
1088	1	111	ILE	N	N	123.300	0.000	1
1089	1	112	THR	H	H	8.168	0.000	1
1090	1	112	THR	HA	H	4.319	0.000	1
1091	1	112	THR	HB	H	4.075	0.037	1
1092	1	112	THR	HG21	H	1.260	0.000	1
1093	1	112	THR	HG22	H	1.260	0.000	1
1094	1	112	THR	HG23	H	1.260	0.000	1
1095	1	112	THR	C	C	174.530	0.000	1
1096	1	112	THR	CA	C	61.290	0.000	1
1097	1	112	THR	CB	C	69.350	0.000	1
1098	1	112	THR	N	N	118.660	0.000	1
1099	1	113	LEU	H	H	8.311	0.006	1
1100	1	113	LEU	HA	H	4.425	0.000	1
1101	1	113	LEU	HB2	H	1.682	0.000	2
1102	1	113	LEU	HB3	H	1.624	0.012	2
1103	1	113	LEU	HG	H	1.638	0.001	1
1104	1	113	LEU	HD11	H	0.919	0.000	2
1105	1	113	LEU	HD12	H	0.919	0.000	2
1106	1	113	LEU	HD13	H	0.919	0.000	2
1107	1	113	LEU	HD21	H	0.859	0.000	2
1108	1	113	LEU	HD22	H	0.859	0.000	2
1109	1	113	LEU	HD23	H	0.859	0.000	2
1110	1	113	LEU	C	C	177.522	0.000	1
1111	1	113	LEU	CA	C	54.850	0.000	1
1112	1	113	LEU	CB	C	42.418	0.000	1
1113	1	113	LEU	CG	C	27.217	0.000	1
1114	1	113	LEU	CD1	C	25.105	0.000	2
1115	1	113	LEU	CD2	C	23.339	0.000	2
1116	1	113	LEU	N	N	124.702	0.231	1
1117	1	114	THR	H	H	8.024	0.000	1
1118	1	114	THR	HA	H	4.323	0.000	1
1119	1	114	THR	HB	H	4.235	0.000	1
1120	1	114	THR	HG21	H	1.196	0.000	1
1121	1	114	THR	HG22	H	1.196	0.000	1
1122	1	114	THR	HG23	H	1.196	0.000	1
1123	1	114	THR	C	C	175.163	0.000	1
1124	1	114	THR	CA	C	61.472	0.000	1
1125	1	114	THR	CB	C	69.340	0.000	1
1126	1	114	THR	CG2	C	21.212	0.000	1
1127	1	114	THR	N	N	113.800	0.000	1
1128	1	115	GLY	H	H	8.272	0.001	1
1129	1	115	GLY	HA2	H	3.928	0.008	2
1130	1	115	GLY	HA3	H	3.936	0.000	2
1131	1	115	GLY	C	C	173.777	0.000	1
1132	1	115	GLY	CA	C	45.026	0.000	1
1133	1	115	GLY	N	N	110.800	0.000	1
1134	1	116	ALA	H	H	8.025	0.010	1
1135	1	116	ALA	HA	H	4.362	0.028	1
1136	1	116	ALA	HB1	H	1.348	0.000	1
1137	1	116	ALA	HB2	H	1.348	0.000	1
1138	1	116	ALA	HB3	H	1.348	0.000	1
1139	1	116	ALA	C	C	177.886	0.000	1
1140	1	116	ALA	CA	C	52.082	0.000	1
1141	1	116	ALA	CB	C	18.784	0.000	1
1142	1	116	ALA	N	N	123.188	0.107	1
1143	1	117	VAL	H	H	8.108	0.000	1
1144	1	117	VAL	HA	H	4.231	0.000	1
1145	1	117	VAL	HB	H	2.120	0.000	1
1146	1	117	VAL	HG11	H	0.962	0.000	2
1147	1	117	VAL	HG12	H	0.962	0.000	2
1148	1	117	VAL	HG13	H	0.962	0.000	2
1149	1	117	VAL	HG21	H	0.932	0.000	2
1150	1	117	VAL	HG22	H	0.932	0.000	2
1151	1	117	VAL	HG23	H	0.932	0.000	2
1152	1	117	VAL	C	C	176.581	0.000	1
1153	1	117	VAL	CA	C	61.860	0.000	1
1154	1	117	VAL	CB	C	32.003	0.000	1
1155	1	117	VAL	CG1	C	21.139	0.000	2
1156	1	117	VAL	CG2	C	21.247	0.000	2
1157	1	117	VAL	N	N	118.930	0.000	1
1158	1	118	THR	H	H	8.135	0.000	1
1159	1	118	THR	HA	H	4.330	0.000	1
1160	1	118	THR	HB	H	4.235	0.000	1
1161	1	118	THR	HG21	H	1.196	0.000	1
1162	1	118	THR	HG22	H	1.196	0.000	1
1163	1	118	THR	HG23	H	1.196	0.000	1
1164	1	118	THR	C	C	175.175	0.000	1
1165	1	118	THR	CA	C	61.438	0.000	1
1166	1	118	THR	CB	C	69.516	0.000	1
1167	1	118	THR	CG2	C	21.368	0.000	1
1168	1	118	THR	N	N	117.056	0.000	1
1169	1	119	GLY	H	H	8.321	0.002	1
1170	1	119	GLY	HA2	H	3.996	0.000	1
1171	1	119	GLY	HA3	H	3.996	0.000	1
1172	1	119	GLY	C	C	173.923	0.000	1
1173	1	119	GLY	CA	C	43.158	0.000	1
1174	1	119	GLY	N	N	110.883	0.066	1
1175	1	120	SER	H	H	8.560	0.001	1
1176	1	120	SER	HA	H	4.674	0.000	1
1177	1	120	SER	HB2	H	4.480	0.000	2
1178	1	120	SER	HB3	H	3.860	0.000	2
1179	1	120	SER	C	C	174.375	0.000	1
1180	1	120	SER	CA	C	57.776	0.000	1
1181	1	120	SER	CB	C	63.333	0.000	1
1182	1	120	SER	N	N	115.027	0.000	1
1183	1	121	ALA	H	H	8.309	0.000	1
1184	1	121	ALA	HA	H	4.316	0.000	1
1185	1	121	ALA	HB1	H	1.321	0.000	1
1186	1	121	ALA	HB2	H	1.321	0.000	1
1187	1	121	ALA	HB3	H	1.321	0.000	1
1188	1	121	ALA	C	C	177.675	0.000	1
1189	1	121	ALA	CA	C	52.392	0.000	1
1190	1	121	ALA	CB	C	18.499	0.000	1
1191	1	121	ALA	N	N	125.640	0.000	1
1192	1	122	SER	H	H	8.079	0.001	1
1193	1	122	SER	HA	H	4.376	0.000	1
1194	1	122	SER	HB2	H	3.701	0.000	1
1195	1	122	SER	HB3	H	3.701	0.000	1
1196	1	122	SER	C	C	174.377	0.000	1
1197	1	122	SER	CA	C	57.886	0.000	1
1198	1	122	SER	CB	C	63.250	0.000	1
1199	1	122	SER	N	N	113.963	0.000	1
1200	1	123	PHE	H	H	8.135	0.001	1
1201	1	123	PHE	HA	H	4.673	0.000	1
1202	1	123	PHE	HB2	H	3.113	0.000	2
1203	1	123	PHE	HB3	H	3.118	0.000	2
1204	1	123	PHE	HD1	H	7.268	0.003	1
1205	1	123	PHE	HD2	H	7.268	0.003	1
1206	1	123	PHE	C	C	175.624	0.000	1
1207	1	123	PHE	CA	C	57.430	0.000	1
1208	1	123	PHE	CB	C	39.006	0.000	1
1209	1	123	PHE	N	N	121.687	0.113	1
1210	1	124	ASP	H	H	8.242	0.000	1
1211	1	124	ASP	HA	H	4.618	0.000	1
1212	1	124	ASP	HB2	H	2.741	0.000	2
1213	1	124	ASP	HB3	H	2.764	0.000	2
1214	1	124	ASP	C	C	176.113	0.000	1
1215	1	124	ASP	CA	C	53.220	0.000	1
1216	1	124	ASP	CB	C	39.460	0.000	1
1217	1	124	ASP	N	N	121.563	0.000	1
1218	1	125	GLY	H	H	7.880	0.001	1
1219	1	125	GLY	HA2	H	3.891	0.000	1
1220	1	125	GLY	HA3	H	3.891	0.000	1
1221	1	125	GLY	C	C	174.551	0.000	1
1222	1	125	GLY	CA	C	45.487	0.000	1
1223	1	125	GLY	N	N	108.933	0.000	1
1224	1	126	SER	H	H	8.109	0.000	1
1225	1	126	SER	HA	H	4.389	0.000	1
1226	1	126	SER	HB2	H	3.860	0.000	2
1227	1	126	SER	HB3	H	3.925	0.000	2
1228	1	126	SER	C	C	174.421	0.000	1
1229	1	126	SER	CA	C	58.161	0.000	1
1230	1	126	SER	CB	C	63.249	0.000	1
1231	1	126	SER	N	N	115.698	0.000	1
1232	1	127	ALA	H	H	8.177	0.000	1
1233	1	127	ALA	HA	H	4.326	0.000	1
1234	1	127	ALA	HB1	H	1.351	0.007	1
1235	1	127	ALA	HB2	H	1.351	0.007	1
1236	1	127	ALA	HB3	H	1.351	0.007	1
1237	1	127	ALA	C	C	177.379	0.000	1
1238	1	127	ALA	CA	C	52.277	0.000	1
1239	1	127	ALA	CB	C	18.553	0.000	1
1240	1	127	ALA	N	N	124.890	0.000	1
1241	1	128	ASN	H	H	8.230	0.008	1
1242	1	128	ASN	HA	H	4.724	0.000	1
1243	1	128	ASN	HB2	H	2.784	0.000	2
1244	1	128	ASN	HB3	H	2.694	0.020	2
1245	1	128	ASN	HD21	H	7.300	0.010	1
1246	1	128	ASN	HD22	H	6.906	0.000	1
1247	1	128	ASN	C	C	175.136	0.000	1
1248	1	128	ASN	CA	C	52.996	0.000	1
1249	1	128	ASN	CB	C	38.526	0.000	1
1250	1	128	ASN	N	N	117.490	0.000	1
1251	1	128	ASN	ND2	N	111.877	0.057	1
1252	1	129	VAL	H	H	7.962	0.000	1
1253	1	129	VAL	HA	H	4.240	0.000	1
1254	1	129	VAL	HB	H	2.125	0.000	1
1255	1	129	VAL	HG11	H	0.943	0.000	2
1256	1	129	VAL	HG12	H	0.943	0.000	2
1257	1	129	VAL	HG13	H	0.943	0.000	2
1258	1	129	VAL	HG21	H	0.871	0.006	2
1259	1	129	VAL	HG22	H	0.871	0.006	2
1260	1	129	VAL	HG23	H	0.871	0.006	2
1261	1	129	VAL	C	C	176.267	0.000	1
1262	1	129	VAL	CA	C	61.803	0.000	1
1263	1	129	VAL	CB	C	32.060	0.000	1
1264	1	129	VAL	CG1	C	25.064	0.000	2
1265	1	129	VAL	CG2	C	21.895	0.000	2
1266	1	129	VAL	N	N	119.807	0.000	1
1267	1	130	THR	H	H	8.249	0.006	1
1268	1	130	THR	HA	H	4.350	0.024	1
1269	1	130	THR	HB	H	4.159	0.000	1
1270	1	130	THR	HG21	H	1.196	0.003	1
1271	1	130	THR	HG22	H	1.196	0.003	1
1272	1	130	THR	HG23	H	1.196	0.003	1
1273	1	130	THR	C	C	174.403	0.000	1
1274	1	130	THR	CA	C	61.577	0.000	1
1275	1	130	THR	CB	C	69.334	0.000	1
1276	1	130	THR	CG2	C	21.724	0.000	1
1277	1	130	THR	N	N	118.460	0.000	1
1278	1	131	ILE	H	H	8.118	0.000	1
1279	1	131	ILE	HA	H	4.229	0.000	1
1280	1	131	ILE	HB	H	1.879	0.000	1
1281	1	131	ILE	HG12	H	1.464	0.000	2
1282	1	131	ILE	HG13	H	1.169	0.000	2
1283	1	131	ILE	HG21	H	0.895	0.000	1
1284	1	131	ILE	HG22	H	0.895	0.000	1
1285	1	131	ILE	HG23	H	0.895	0.000	1
1286	1	131	ILE	HD11	H	0.844	0.000	1
1287	1	131	ILE	HD12	H	0.844	0.000	1
1288	1	131	ILE	HD13	H	0.844	0.000	1
1289	1	131	ILE	C	C	176.136	0.000	1
1290	1	131	ILE	CA	C	60.547	0.000	1
1291	1	131	ILE	CB	C	38.070	0.000	1
1292	1	131	ILE	CG1	C	27.311	0.000	1
1293	1	131	ILE	CG2	C	17.536	0.000	1
1294	1	131	ILE	CD1	C	13.024	0.000	1
1295	1	131	ILE	N	N	123.173	0.000	1
1296	1	132	GLU	H	H	8.379	0.002	1
1297	1	132	GLU	HA	H	4.429	0.000	1
1298	1	132	GLU	HB2	H	2.142	0.000	2
1299	1	132	GLU	HB3	H	2.000	0.000	2
1300	1	132	GLU	HG2	H	2.435	0.000	1
1301	1	132	GLU	C	C	176.262	0.000	1
1302	1	132	GLU	CA	C	55.516	0.000	1
1303	1	132	GLU	CB	C	28.722	0.000	1
1304	1	132	GLU	CG	C	33.743	0.000	1
1305	1	132	GLU	N	N	124.178	0.095	1
1306	1	133	THR	H	H	8.203	0.000	1
1307	1	133	THR	HA	H	4.434	0.000	1
1308	1	133	THR	HB	H	4.378	0.056	1
1309	1	133	THR	C	C	174.853	0.000	1
1310	1	133	THR	CA	C	61.327	0.000	1
1311	1	133	THR	CB	C	69.376	0.000	1
1312	1	133	THR	N	N	115.450	0.000	1
1313	1	134	THR	H	H	8.160	0.000	1
1314	1	134	THR	HA	H	4.470	0.000	1
1315	1	134	THR	HB	H	3.895	0.000	1
1316	1	134	THR	C	C	174.692	0.000	1
1317	1	134	THR	CA	C	61.205	0.000	1
1318	1	134	THR	CB	C	69.310	0.000	1
1319	1	134	THR	N	N	115.810	0.000	1
1320	1	135	SER	H	H	8.329	0.000	1
1321	1	135	SER	HA	H	4.518	0.000	1
1322	1	135	SER	HB2	H	3.896	0.000	2
1323	1	135	SER	HB3	H	3.952	0.000	2
1324	1	135	SER	C	C	175.027	0.000	1
1325	1	135	SER	CA	C	58.213	0.000	1
1326	1	135	SER	CB	C	63.251	0.000	1
1327	1	135	SER	N	N	117.753	0.000	1
1328	1	136	GLY	H	H	8.360	0.000	1
1329	1	136	GLY	HA2	H	4.080	0.000	1
1330	1	136	GLY	HA3	H	4.080	0.000	1
1331	1	136	GLY	C	C	173.555	0.000	1
1332	1	136	GLY	CA	C	45.109	0.000	1
1333	1	136	GLY	N	N	111.214	0.000	1
1334	1	137	SER	H	H	7.863	0.002	1
1335	1	137	SER	HA	H	4.303	0.000	1
1336	1	137	SER	HB2	H	3.856	0.000	1
1337	1	137	SER	C	C	178.296	0.000	1
1338	1	137	SER	CA	C	59.068	0.000	1
1339	1	137	SER	CB	C	64.184	0.000	1
1340	1	137	SER	N	N	119.977	0.000	1

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.45 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.45 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.2 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6E3C, Strand ID: C Detail

Release date

2018-03-27

Citation

NMR assignments for monomeric phage L decoration protein
Newcomer, R.L., Belato, H., Teschke, C.M., Alexandrescu, A.T.
Biomol. NMR Assign. (2018), 12, 339-343, PubMed 30109462 , DOI 10.1007/s12104-018-9836-1 , Abstract

Related entities 1. Decorator monomer, : 1 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 306 K, pH 4, Details The pH of the sample was lowered to 2 for a brief period, before being raised to pH 4.02.

#	Name	Isotope labeling	Concentration
1	sodium acetate	natural abundance	20 mM
2	sodium chloride	natural abundance	50 mM
3	EDTA	natural abundance	1 mM
4	Decorator	[U-100% 13C; U-100% 15N; U-80% 2H]	0.08 mM

2 3D HNCA

Instrument

Varian INOVA - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium acetate	natural abundance	20 mM
2	sodium chloride	natural abundance	50 mM
3	EDTA	natural abundance	1 mM
4	Decorator	[U-100% 13C; U-100% 15N; U-80% 2H]	0.08 mM

3 3D HN(CO)CA

Instrument

Varian INOVA - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium acetate	natural abundance	20 mM
2	sodium chloride	natural abundance	50 mM
3	EDTA	natural abundance	1 mM
4	Decorator	[U-100% 13C; U-100% 15N; U-80% 2H]	0.08 mM

4 3D HNCACB

Instrument

Varian INOVA - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium acetate	natural abundance	20 mM
2	sodium chloride	natural abundance	50 mM
3	EDTA	natural abundance	1 mM
4	Decorator	[U-100% 13C; U-100% 15N; U-80% 2H]	0.08 mM

5 3D HNCO

Instrument

Varian INOVA - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium acetate	natural abundance	20 mM
2	sodium chloride	natural abundance	50 mM
3	EDTA	natural abundance	1 mM
4	Decorator	[U-100% 13C; U-100% 15N; U-80% 2H]	0.08 mM

6 3D HN(CA)CO

Instrument

Varian INOVA - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium acetate	natural abundance	20 mM
2	sodium chloride	natural abundance	50 mM
3	EDTA	natural abundance	1 mM
4	Decorator	[U-100% 13C; U-100% 15N; U-80% 2H]	0.08 mM

7 3D HCCH-TOCSY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 306 K, pH 4, Details Two separate samples had their pH lowered to 2 for a period of 5 minutes before being raised to 4. The two samples were pooled together and lyophilized.

#	Name	Isotope labeling	Concentration
5	sodium acetate	natural abundance	40 mM
6	sodium chloride	natural abundance	100 mM
7	EDTA	natural abundance	2 mM
8	Decorator	[U-10% 13C; U-100% 15N]	1 mM

8 3D CCH-TOCSY

Instrument

Varian INOVA - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
5	sodium acetate	natural abundance	40 mM
6	sodium chloride	natural abundance	100 mM
7	EDTA	natural abundance	2 mM
8	Decorator	[U-10% 13C; U-100% 15N]	1 mM

9 3D 1H-15N TOCSY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 306 K, pH 4, Details pH was raised to 4.05 after being unfolded at pH 1.97 for 2 minutes.

#	Name	Isotope labeling	Concentration
9	sodium acetate	natural abundance	20 mM
10	sodium chloride	natural abundance	50 mM
11	EDTA	natural abundance	1 mM
12	Decorator	[U-100% 15N]	0.15 mM

10 3D 1H-15N NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 306 K, pH 4, Details pH was raised to 4.05 after being unfolded at pH 1.97 for 2 minutes.

#	Name	Isotope labeling	Concentration
9	sodium acetate	natural abundance	20 mM
10	sodium chloride	natural abundance	50 mM
11	EDTA	natural abundance	1 mM
12	Decorator	[U-100% 15N]	0.15 mM

11 3D 1H-15N NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 306 K, pH 4, Details The sample was unfolded to pH 2 for a period of time before being refolded at pH 4.

#	Name	Isotope labeling	Concentration
13	Decorator	[U-100% 13C; U-100% 15N; U-50% 2H]	0.2 mM
14	sodium acetate	natural abundance	20 mM
15	sodium chloride	natural abundance	50 mM
16	EDTA	natural abundance	1 mM

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_27435_6e3c.nef
Input source #2: Coordindates	6e3c.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): C vs Auth_asym_ID (model): C

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
C	C	137	0	0	100.0

Content subtype: combined_27435_6e3c.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1212		100.0 (chain: C, length: 137)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	185 (1)	noe	59.9 (chain: C, length: 137)
2	Distance restraints	CNS/XPLOR_distance_constraints_5	Warning	787 (1)	noe	95.6 (chain: C, length: 137)
3	Distance restraints	CNS/XPLOR_distance_constraints_4	Warning	67 (1)	hbond	36.5 (chain: C, length: 137)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	174 (174)	.	73.0 (chain: C, length: 137)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: C, Chain length: 137, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 611
  - ¹³C chemical shifts: 460
  - ¹⁵N chemical shifts: 141
- Completeness of assignments
  - Entity_assemble_ID: C
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: C

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	742	611	82.3
¹³C chemical shifts	583	460	78.9
¹⁵N chemical shifts	144	141	97.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	280	275	98.2
¹³C chemical shifts	274	274	100.0
¹⁵N chemical shifts	131	130	99.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	462	336	72.7
¹³C chemical shifts	309	186	60.2
¹⁵N chemical shifts	13	11	84.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	74	64	86.5
¹³C chemical shifts	74	53	71.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	74	39	52.7
¹³C chemical shifts	73	0	0.0
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: C, Chain length: 137, Sequence coverage: 59.9%
- Total number of restraints: 184
- Weight of restraints: 1.0 (184)
- Potential type of restraints: square-well-parabolic (184)
- Range of distance target values: 2.42, 6.13 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: C
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_5
  - Status: Warning
  - Experiment type: noe
  - Sequence coverage of experimental data
    - Entity_assembly_ID: C, Chain length: 137, Sequence coverage: 95.6%
  - Total number of restraints: 787
  - Weight of restraints: 1.0 (787)
  - Potential type of restraints: square-well-parabolic (787)
  - Range of distance target values: 2.24, 6.64 (Å)
  - Histogram of distance target values
  - Histogram of discrepancy in distance target values
  - Distance restraints per residue
    - Chain_ID: C
  - Distance restraints on contact map
  - Saveframe: CNS/XPLOR_distance_constraints_4
    - Status: Warning
    - Experiment type: hbond
    - Sequence coverage of experimental data
      - Entity_assembly_ID: C, Chain length: 137, Sequence coverage: 36.5%
    - Total number of restraints: 67
    - Weight of restraints: 1.0 (67)
    - Potential type of restraints: square-well-parabolic (67)
    - Range of distance target values: 2.21, 3.32 (Å)
    - Histogram of distance target values
    - Distance restraints per residue
      - Chain_ID: C
    - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: C, Chain length: 137, Sequence coverage: 73.0%
- Total number of restraints: 174
- Total number of restraints per polymer type: 174
- Weight of restraints: 1.0 (174)
- Potential type of restraints: square-well-parabolic (174)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: C

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.702 seconds)

BMRB: 27435

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Decorator monomer, : 1 entities Detail

Experiments performed 11 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 6 contents Detail