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BMRB: 34787

1ITL

RDC-refined Interleukin-4 (wild type) pH 5.6

Authors

Vaz, D.C., Rodrigues, J.R., Loureiro-Ferreira, N., Mueller, T., Sebald, W., Redfield, C., Brito, R.M.M.

Assembly

Interleukin-4

Entity

1. Interleukin-4 (polymer, Thiol state: all disulfide bound), 129 monomers, 14963.03 Da Detail

HKCDITLQEI IKTLNSLTEQ KTLCTELTVT DIFAASKNTT EKETFCRAAT VLRQFYSHHE KDTRCLGATA QQFHRHKQLI RFLKRLDRNL WGLAGLNSCP VKEANQSTLE NFLERLKTIM REKYSKCSS

Formula weight

14963.03 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS127:SG
2	disulfide	sing	1:CYS24:SG	1:CYS65:SG
3	disulfide	sing	1:CYS46:SG	1:CYS99:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 838, ¹³C: 260, ¹⁵N: 139 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	2	LYS	H	H	8.450	0.02	1
2	1	2	LYS	HA	H	4.470	0.02	1
3	1	2	LYS	HB2	H	1.840	0.02	2
4	1	2	LYS	HB3	H	1.740	0.02	2
5	1	2	LYS	HG2	H	1.390	0.02	4
6	1	2	LYS	HG3	H	1.390	0.02	4
7	1	2	LYS	CA	C	54.500	0.30	1
8	1	2	LYS	CB	C	31.000	0.30	1
9	1	2	LYS	N	N	122.600	0.30	1
10	1	3	CYS	H	H	8.670	0.02	1
11	1	3	CYS	HA	H	4.650	0.02	1
12	1	3	CYS	HB2	H	3.100	0.02	2
13	1	3	CYS	HB3	H	2.910	0.02	2
14	1	3	CYS	CA	C	52.800	0.30	1
15	1	3	CYS	N	N	120.900	0.30	1
16	1	4	ASP	H	H	8.510	0.02	1
17	1	4	ASP	HA	H	4.560	0.02	1
18	1	4	ASP	HB2	H	2.760	0.02	2
19	1	4	ASP	HB3	H	2.680	0.02	2
20	1	4	ASP	CA	C	53.000	0.30	1
21	1	4	ASP	CB	C	40.500	0.30	1
22	1	4	ASP	N	N	123.400	0.30	1
23	1	5	ILE	H	H	8.470	0.02	1
24	1	5	ILE	HA	H	4.000	0.02	1
25	1	5	ILE	HB	H	1.970	0.02	1
26	1	5	ILE	HG12	H	1.510	0.02	2
27	1	5	ILE	HG13	H	1.350	0.02	2
28	1	5	ILE	HG21	H	0.990	0.02	1
29	1	5	ILE	HG22	H	0.990	0.02	1
30	1	5	ILE	HG23	H	0.990	0.02	1
31	1	5	ILE	HD11	H	0.890	0.02	1
32	1	5	ILE	HD12	H	0.890	0.02	1
33	1	5	ILE	HD13	H	0.890	0.02	1
34	1	5	ILE	CA	C	61.300	0.30	1
35	1	5	ILE	CB	C	36.100	0.30	1
36	1	5	ILE	CG2	C	15.700	0.30	1
37	1	5	ILE	CD1	C	12.100	0.30	1
38	1	5	ILE	N	N	123.900	0.30	1
39	1	6	THR	H	H	8.310	0.02	1
40	1	6	THR	HA	H	3.930	0.02	1
41	1	6	THR	HB	H	4.090	0.02	1
42	1	6	THR	HG21	H	1.200	0.02	1
43	1	6	THR	HG22	H	1.200	0.02	1
44	1	6	THR	HG23	H	1.200	0.02	1
45	1	6	THR	CA	C	63.300	0.30	1
46	1	6	THR	CB	C	66.000	0.30	1
47	1	6	THR	CG2	C	20.400	0.30	1
48	1	6	THR	N	N	117.000	0.30	1
49	1	7	LEU	H	H	7.700	0.02	1
50	1	7	LEU	HA	H	3.900	0.02	1
51	1	7	LEU	HB2	H	1.710	0.02	2
52	1	7	LEU	HB3	H	1.710	0.02	2
53	1	7	LEU	HG	H	1.710	0.02	4
54	1	7	LEU	HD11	H	0.920	0.02	2
55	1	7	LEU	HD12	H	0.920	0.02	2
56	1	7	LEU	HD13	H	0.920	0.02	2
57	1	7	LEU	HD21	H	0.840	0.02	2
58	1	7	LEU	HD22	H	0.840	0.02	2
59	1	7	LEU	HD23	H	0.840	0.02	2
60	1	7	LEU	CA	C	56.400	0.30	1
61	1	7	LEU	CD1	C	23.300	0.30	2
62	1	7	LEU	CD2	C	23.300	0.30	2
63	1	7	LEU	N	N	121.200	0.30	1
64	1	8	GLN	H	H	7.850	0.02	1
65	1	8	GLN	HA	H	3.690	0.02	1
66	1	8	GLN	HB2	H	2.140	0.02	2
67	1	8	GLN	HB3	H	2.140	0.02	2
68	1	8	GLN	HG2	H	2.370	0.02	2
69	1	8	GLN	HG3	H	2.250	0.02	2
70	1	8	GLN	HE21	H	7.160	0.02	2
71	1	8	GLN	HE22	H	6.830	0.02	2
72	1	8	GLN	CA	C	57.700	0.30	1
73	1	8	GLN	CG	C	32.300	0.30	1
74	1	8	GLN	N	N	116.700	0.30	1
75	1	8	GLN	NE2	N	111.100	0.30	1
76	1	9	GLU	H	H	7.970	0.02	1
77	1	9	GLU	HA	H	3.990	0.02	1
78	1	9	GLU	HB2	H	2.110	0.02	2
79	1	9	GLU	HB3	H	2.000	0.02	2
80	1	9	GLU	HG2	H	2.260	0.02	4
81	1	9	GLU	HG3	H	2.260	0.02	4
82	1	9	GLU	CA	C	57.400	0.30	1
83	1	9	GLU	N	N	119.200	0.30	1
84	1	10	ILE	H	H	8.120	0.02	1
85	1	10	ILE	HA	H	3.520	0.02	1
86	1	10	ILE	HB	H	1.960	0.02	1
87	1	10	ILE	HG12	H	1.890	0.02	2
88	1	10	ILE	HG13	H	1.890	0.02	2
89	1	10	ILE	HG21	H	0.780	0.02	1
90	1	10	ILE	HG22	H	0.780	0.02	1
91	1	10	ILE	HG23	H	0.780	0.02	1
92	1	10	ILE	HD11	H	0.610	0.02	1
93	1	10	ILE	HD12	H	0.610	0.02	1
94	1	10	ILE	HD13	H	0.610	0.02	1
95	1	10	ILE	CA	C	63.700	0.30	1
96	1	10	ILE	CB	C	35.800	0.30	1
97	1	10	ILE	CG2	C	15.400	0.30	1
98	1	10	ILE	CD1	C	13.300	0.30	1
99	1	10	ILE	N	N	122.300	0.30	1
100	1	11	ILE	H	H	7.950	0.02	1
101	1	11	ILE	HA	H	3.400	0.02	1
102	1	11	ILE	HB	H	1.710	0.02	1
103	1	11	ILE	HG12	H	1.250	0.02	2
104	1	11	ILE	HG13	H	0.930	0.02	2
105	1	11	ILE	HG21	H	0.640	0.02	1
106	1	11	ILE	HG22	H	0.640	0.02	1
107	1	11	ILE	HG23	H	0.640	0.02	1
108	1	11	ILE	HD11	H	0.510	0.02	1
109	1	11	ILE	HD12	H	0.510	0.02	1
110	1	11	ILE	HD13	H	0.510	0.02	1
111	1	11	ILE	CA	C	62.700	0.30	1
112	1	11	ILE	CB	C	35.100	0.30	1
113	1	11	ILE	CG2	C	14.700	0.30	1
114	1	11	ILE	CD1	C	10.800	0.30	1
115	1	11	ILE	N	N	120.400	0.30	1
116	1	12	LYS	H	H	7.970	0.02	1
117	1	12	LYS	HA	H	3.920	0.02	1
118	1	12	LYS	HB2	H	1.860	0.02	2
119	1	12	LYS	HB3	H	1.860	0.02	2
120	1	12	LYS	HG2	H	1.680	0.02	4
121	1	12	LYS	HG3	H	1.680	0.02	4
122	1	12	LYS	HD2	H	1.560	0.02	4
123	1	12	LYS	HD3	H	1.560	0.02	4
124	1	12	LYS	HE2	H	1.400	0.02	4
125	1	12	LYS	HE3	H	1.400	0.02	4
126	1	12	LYS	CA	C	58.000	0.30	1
127	1	12	LYS	CB	C	29.900	0.30	1
128	1	12	LYS	N	N	119.500	0.30	1
129	1	13	THR	H	H	8.130	0.02	1
130	1	13	THR	HA	H	3.590	0.02	1
131	1	13	THR	HB	H	4.220	0.02	1
132	1	13	THR	HG21	H	1.120	0.02	1
133	1	13	THR	HG22	H	1.120	0.02	1
134	1	13	THR	HG23	H	1.120	0.02	1
135	1	13	THR	CA	C	64.800	0.30	1
136	1	13	THR	CB	C	65.700	0.30	1
137	1	13	THR	CG2	C	20.700	0.30	1
138	1	13	THR	N	N	117.000	0.30	1
139	1	14	LEU	H	H	8.560	0.02	1
140	1	14	LEU	HA	H	3.950	0.02	1
141	1	14	LEU	HB2	H	2.000	0.02	2
142	1	14	LEU	HB3	H	1.150	0.02	2
143	1	14	LEU	HG	H	1.760	0.02	1
144	1	14	LEU	HD11	H	0.880	0.02	2
145	1	14	LEU	HD12	H	0.880	0.02	2
146	1	14	LEU	HD13	H	0.880	0.02	2
147	1	14	LEU	HD21	H	0.630	0.02	2
148	1	14	LEU	HD22	H	0.630	0.02	2
149	1	14	LEU	HD23	H	0.630	0.02	2
150	1	14	LEU	CA	C	56.700	0.30	1
151	1	14	LEU	CD1	C	22.600	0.30	2
152	1	14	LEU	CD2	C	24.500	0.30	2
153	1	14	LEU	N	N	121.500	0.30	1
154	1	15	ASN	H	H	8.450	0.02	1
155	1	15	ASN	HA	H	4.270	0.02	1
156	1	15	ASN	HB2	H	2.910	0.02	2
157	1	15	ASN	HB3	H	2.790	0.02	2
158	1	15	ASN	HD21	H	7.480	0.02	2
159	1	15	ASN	HD22	H	6.550	0.02	2
160	1	15	ASN	CA	C	54.100	0.30	1
161	1	15	ASN	CB	C	35.100	0.30	1
162	1	15	ASN	N	N	120.000	0.30	1
163	1	15	ASN	ND2	N	110.300	0.30	1
164	1	16	SER	H	H	7.770	0.02	1
165	1	16	SER	HA	H	4.180	0.02	1
166	1	16	SER	HB2	H	3.610	0.02	2
167	1	16	SER	HB3	H	3.550	0.02	2
168	1	16	SER	CA	C	59.500	0.30	1
169	1	16	SER	CB	C	60.500	0.30	1
170	1	16	SER	N	N	115.800	0.30	1
171	1	17	LEU	H	H	8.040	0.02	1
172	1	17	LEU	HA	H	4.020	0.02	1
173	1	17	LEU	HB2	H	1.900	0.02	2
174	1	17	LEU	HB3	H	1.470	0.02	2
175	1	17	LEU	HG	H	1.640	0.02	1
176	1	17	LEU	HD11	H	1.010	0.02	2
177	1	17	LEU	HD12	H	1.010	0.02	2
178	1	17	LEU	HD13	H	1.010	0.02	2
179	1	17	LEU	HD21	H	0.820	0.02	2
180	1	17	LEU	HD22	H	0.820	0.02	2
181	1	17	LEU	HD23	H	0.820	0.02	2
182	1	17	LEU	CA	C	55.600	0.30	1
183	1	17	LEU	CB	C	41.600	0.30	1
184	1	17	LEU	CD1	C	23.600	0.30	1
185	1	17	LEU	CD2	C	25.100	0.30	1
186	1	17	LEU	N	N	120.500	0.30	1
187	1	18	THR	H	H	7.670	0.02	1
188	1	18	THR	HA	H	4.340	0.02	1
189	1	18	THR	HB	H	4.480	0.02	1
190	1	18	THR	HG21	H	1.170	0.02	1
191	1	18	THR	HG22	H	1.170	0.02	1
192	1	18	THR	HG23	H	1.170	0.02	1
193	1	18	THR	CA	C	60.400	0.30	1
194	1	18	THR	CB	C	67.000	0.30	1
195	1	18	THR	CG2	C	19.900	0.30	1
196	1	18	THR	N	N	107.400	0.30	1
197	1	19	GLU	H	H	7.370	0.02	1
198	1	19	GLU	HA	H	4.220	0.02	1
199	1	19	GLU	HB2	H	2.090	0.02	2
200	1	19	GLU	HB3	H	2.090	0.02	2
201	1	19	GLU	HG2	H	2.390	0.02	2
202	1	19	GLU	HG3	H	2.290	0.02	2
203	1	19	GLU	CA	C	55.700	0.30	1
204	1	19	GLU	N	N	120.000	0.30	1
205	1	20	GLN	H	H	7.420	0.02	1
206	1	20	GLN	HA	H	4.470	0.02	1
207	1	20	GLN	HB2	H	2.070	0.02	2
208	1	20	GLN	HB3	H	1.960	0.02	2
209	1	20	GLN	HG2	H	2.300	0.02	2
210	1	20	GLN	HG3	H	2.300	0.02	2
211	1	20	GLN	HE21	H	7.400	0.02	2
212	1	20	GLN	HE22	H	6.550	0.02	2
213	1	20	GLN	CA	C	52.700	0.30	1
214	1	20	GLN	N	N	117.100	0.30	1
215	1	20	GLN	NE2	N	110.600	0.30	1
216	1	21	LYS	H	H	8.160	0.02	1
217	1	21	LYS	HA	H	4.420	0.02	1
218	1	21	LYS	CA	C	54.800	0.30	1
219	1	21	LYS	N	N	122.900	0.30	1
220	1	22	THR	H	H	8.230	0.02	1
221	1	22	THR	HA	H	4.870	0.02	1
222	1	22	THR	HB	H	4.580	0.02	1
223	1	22	THR	HG21	H	1.270	0.02	1
224	1	22	THR	HG22	H	1.270	0.02	1
225	1	22	THR	HG23	H	1.270	0.02	1
226	1	22	THR	CA	C	58.000	0.30	1
227	1	22	THR	CB	C	69.300	0.30	1
228	1	22	THR	CG2	C	19.900	0.30	1
229	1	22	THR	N	N	115.000	0.30	1
230	1	23	LEU	H	H	8.470	0.02	1
231	1	23	LEU	HA	H	4.220	0.02	1
232	1	23	LEU	HB2	H	1.870	0.02	2
233	1	23	LEU	HB3	H	1.680	0.02	2
234	1	23	LEU	HG	H	1.790	0.02	1
235	1	23	LEU	HD11	H	0.940	0.02	2
236	1	23	LEU	HD12	H	0.940	0.02	2
237	1	23	LEU	HD13	H	0.940	0.02	2
238	1	23	LEU	HD21	H	0.940	0.02	2
239	1	23	LEU	HD22	H	0.940	0.02	2
240	1	23	LEU	HD23	H	0.940	0.02	2
241	1	23	LEU	CA	C	56.000	0.30	1
242	1	23	LEU	CD1	C	21.600	0.30	2
243	1	23	LEU	CD2	C	23.200	0.30	2
244	1	23	LEU	N	N	121.600	0.30	1
245	1	24	CYS	H	H	8.410	0.02	1
246	1	24	CYS	HA	H	4.500	0.02	1
247	1	24	CYS	HB2	H	3.620	0.02	2
248	1	24	CYS	HB3	H	3.110	0.02	2
249	1	24	CYS	CA	C	55.700	0.30	1
250	1	24	CYS	N	N	114.400	0.30	1
251	1	25	THR	H	H	7.750	0.02	1
252	1	25	THR	HA	H	4.180	0.02	1
253	1	25	THR	HB	H	4.500	0.02	1
254	1	25	THR	HG21	H	1.310	0.02	1
255	1	25	THR	HG22	H	1.310	0.02	1
256	1	25	THR	HG23	H	1.310	0.02	1
257	1	25	THR	CA	C	62.000	0.30	1
258	1	25	THR	CB	C	65.700	0.30	1
259	1	25	THR	CG2	C	20.500	0.30	1
260	1	25	THR	N	N	108.100	0.30	1
261	1	26	GLU	HA	H	4.490	0.02	1
262	1	26	GLU	HB2	H	2.270	0.02	2
263	1	26	GLU	HB3	H	2.030	0.02	2
264	1	26	GLU	HG2	H	2.410	0.02	2
265	1	26	GLU	HG3	H	2.410	0.02	2
266	1	26	GLU	CA	C	54.300	0.30	1
267	1	27	LEU	H	H	7.040	0.02	1
268	1	27	LEU	HA	H	4.410	0.02	1
269	1	27	LEU	HB2	H	2.020	0.02	2
270	1	27	LEU	HB3	H	1.570	0.02	2
271	1	27	LEU	HG	H	1.790	0.02	1
272	1	27	LEU	HD11	H	0.810	0.02	2
273	1	27	LEU	HD12	H	0.810	0.02	2
274	1	27	LEU	HD13	H	0.810	0.02	2
275	1	27	LEU	HD21	H	0.580	0.02	2
276	1	27	LEU	HD22	H	0.580	0.02	2
277	1	27	LEU	HD23	H	0.580	0.02	2
278	1	27	LEU	CA	C	53.200	0.30	1
279	1	27	LEU	CD1	C	20.000	0.30	2
280	1	27	LEU	CD2	C	23.400	0.30	2
281	1	27	LEU	N	N	118.600	0.30	1
282	1	28	THR	H	H	7.780	0.02	1
283	1	28	THR	HA	H	4.990	0.02	1
284	1	28	THR	HB	H	4.180	0.02	1
285	1	28	THR	HG21	H	1.060	0.02	1
286	1	28	THR	HG22	H	1.060	0.02	1
287	1	28	THR	HG23	H	1.060	0.02	1
288	1	28	THR	CA	C	58.900	0.30	1
289	1	28	THR	CB	C	69.200	0.30	1
290	1	28	THR	CG2	C	19.600	0.30	1
291	1	28	THR	N	N	108.100	0.30	1
292	1	29	VAL	H	H	8.990	0.02	1
293	1	29	VAL	HA	H	4.620	0.02	1
294	1	29	VAL	HB	H	1.860	0.02	1
295	1	29	VAL	HG11	H	0.660	0.02	2
296	1	29	VAL	HG12	H	0.660	0.02	2
297	1	29	VAL	HG13	H	0.660	0.02	2
298	1	29	VAL	HG21	H	0.260	0.02	2
299	1	29	VAL	HG22	H	0.260	0.02	2
300	1	29	VAL	HG23	H	0.260	0.02	2
301	1	29	VAL	CA	C	57.200	0.30	1
302	1	29	VAL	CB	C	34.000	0.30	1
303	1	29	VAL	CG1	C	21.400	0.30	2
304	1	29	VAL	CG2	C	16.600	0.30	2
305	1	29	VAL	N	N	113.900	0.30	1
306	1	30	THR	H	H	7.780	0.02	1
307	1	30	THR	HA	H	4.080	0.02	1
308	1	30	THR	HB	H	3.820	0.02	1
309	1	30	THR	HG21	H	1.070	0.02	1
310	1	30	THR	HG22	H	1.070	0.02	1
311	1	30	THR	HG23	H	1.070	0.02	1
312	1	30	THR	CA	C	61.800	0.30	1
313	1	30	THR	CB	C	66.800	0.30	1
314	1	30	THR	CG2	C	20.700	0.30	1
315	1	30	THR	N	N	118.400	0.30	1
316	1	31	ASP	H	H	8.580	0.02	1
317	1	31	ASP	HA	H	4.680	0.02	1
318	1	31	ASP	HB2	H	2.770	0.02	2
319	1	31	ASP	HB3	H	2.310	0.02	2
320	1	31	ASP	CA	C	51.000	0.30	1
321	1	31	ASP	N	N	123.800	0.30	1
322	1	32	ILE	H	H	7.010	0.02	1
323	1	32	ILE	HA	H	4.040	0.02	1
324	1	32	ILE	HB	H	1.920	0.02	1
325	1	32	ILE	HG12	H	0.690	0.02	2
326	1	32	ILE	HG13	H	0.450	0.02	2
327	1	32	ILE	HG21	H	0.870	0.02	1
328	1	32	ILE	HG22	H	0.870	0.02	1
329	1	32	ILE	HG23	H	0.870	0.02	1
330	1	32	ILE	HD11	H	0.270	0.02	1
331	1	32	ILE	HD12	H	0.270	0.02	1
332	1	32	ILE	HD13	H	0.270	0.02	1
333	1	32	ILE	CA	C	58.800	0.30	1
334	1	32	ILE	CB	C	35.800	0.30	1
335	1	32	ILE	CG2	C	19.900	0.30	1
336	1	32	ILE	CD1	C	13.600	0.30	1
337	1	32	ILE	N	N	116.300	0.30	1
338	1	33	PHE	H	H	8.140	0.02	1
339	1	33	PHE	HA	H	4.420	0.02	1
340	1	33	PHE	HB2	H	3.230	0.02	2
341	1	33	PHE	HB3	H	3.080	0.02	2
342	1	33	PHE	HD1	H	7.220	0.02	3
343	1	33	PHE	HD2	H	7.220	0.02	3
344	1	33	PHE	HE1	H	6.580	0.02	3
345	1	33	PHE	HE2	H	6.580	0.02	3
346	1	33	PHE	HZ	H	6.510	0.02	1
347	1	33	PHE	CA	C	57.800	0.30	1
348	1	33	PHE	CB	C	36.100	0.30	1
349	1	33	PHE	N	N	120.200	0.30	1
350	1	34	ALA	H	H	7.440	0.02	1
351	1	34	ALA	HA	H	4.220	0.02	1
352	1	34	ALA	HB1	H	1.390	0.02	1
353	1	34	ALA	HB2	H	1.390	0.02	1
354	1	34	ALA	HB3	H	1.390	0.02	1
355	1	34	ALA	CA	C	51.800	0.30	1
356	1	34	ALA	CB	C	16.400	0.30	1
357	1	34	ALA	N	N	123.600	0.30	1
358	1	35	ALA	H	H	7.670	0.02	1
359	1	35	ALA	HA	H	4.420	0.02	1
360	1	35	ALA	HB1	H	1.370	0.02	1
361	1	35	ALA	HB2	H	1.370	0.02	1
362	1	35	ALA	HB3	H	1.370	0.02	1
363	1	35	ALA	CA	C	50.300	0.30	1
364	1	35	ALA	CB	C	17.100	0.30	1
365	1	35	ALA	N	N	120.500	0.30	1
366	1	36	SER	H	H	7.810	0.02	1
367	1	36	SER	HA	H	4.360	0.02	1
368	1	36	SER	HB2	H	3.940	0.02	2
369	1	36	SER	HB3	H	3.870	0.02	2
370	1	36	SER	CA	C	57.000	0.30	1
371	1	36	SER	CB	C	61.400	0.30	1
372	1	36	SER	N	N	114.100	0.30	1
373	1	37	LYS	H	H	8.140	0.02	1
374	1	37	LYS	HA	H	4.260	0.02	1
375	1	37	LYS	HB2	H	1.790	0.02	2
376	1	37	LYS	HB3	H	1.790	0.02	2
377	1	37	LYS	HG2	H	1.410	0.02	4
378	1	37	LYS	CA	C	55.300	0.30	1
379	1	37	LYS	N	N	122.400	0.30	1
380	1	38	ASN	H	H	8.410	0.02	1
381	1	38	ASN	HA	H	4.710	0.02	1
382	1	38	ASN	HB2	H	2.900	0.02	2
383	1	38	ASN	HB3	H	2.740	0.02	2
384	1	38	ASN	HD21	H	7.520	0.02	2
385	1	38	ASN	HD22	H	6.830	0.02	2
386	1	38	ASN	CA	C	51.600	0.30	1
387	1	38	ASN	CB	C	36.800	0.30	1
388	1	38	ASN	N	N	117.900	0.30	1
389	1	38	ASN	ND2	N	112.400	0.30	1
390	1	39	THR	H	H	7.730	0.02	1
391	1	39	THR	HA	H	4.540	0.02	1
392	1	39	THR	HB	H	4.090	0.02	1
393	1	39	THR	HG21	H	1.140	0.02	1
394	1	39	THR	HG22	H	1.140	0.02	1
395	1	39	THR	HG23	H	1.140	0.02	1
396	1	39	THR	CA	C	58.800	0.30	1
397	1	39	THR	CB	C	68.000	0.30	1
398	1	39	THR	CG2	C	19.200	0.30	1
399	1	39	THR	N	N	114.300	0.30	1
400	1	40	THR	H	H	8.430	0.02	1
401	1	40	THR	HA	H	4.460	0.02	1
402	1	40	THR	HB	H	4.580	0.02	1
403	1	40	THR	HG21	H	1.310	0.02	1
404	1	40	THR	HG22	H	1.310	0.02	1
405	1	40	THR	HG23	H	1.310	0.02	1
406	1	40	THR	CA	C	58.400	0.30	1
407	1	40	THR	CB	C	68.900	0.30	1
408	1	40	THR	CG2	C	19.700	0.30	1
409	1	40	THR	N	N	114.700	0.30	1
410	1	41	GLU	H	H	8.730	0.02	1
411	1	41	GLU	HA	H	3.650	0.02	1
412	1	41	GLU	HB2	H	1.840	0.02	2
413	1	41	GLU	HB3	H	1.840	0.02	2
414	1	41	GLU	HG2	H	1.900	0.02	2
415	1	41	GLU	HG3	H	1.810	0.02	2
416	1	41	GLU	CA	C	57.900	0.30	1
417	1	41	GLU	CG	C	35.100	0.30	1
418	1	41	GLU	N	N	123.100	0.30	1
419	1	42	LYS	H	H	7.990	0.02	1
420	1	42	LYS	HA	H	3.790	0.02	1
421	1	42	LYS	HB2	H	1.980	0.02	2
422	1	42	LYS	HB3	H	1.830	0.02	2
423	1	42	LYS	HG2	H	1.690	0.02	2
424	1	42	LYS	HG3	H	1.590	0.02	2
425	1	42	LYS	CA	C	58.100	0.30	1
426	1	42	LYS	CG	C	24.200	0.30	1
427	1	42	LYS	N	N	116.100	0.30	1
428	1	43	GLU	H	H	7.500	0.02	1
429	1	43	GLU	HA	H	3.820	0.02	1
430	1	43	GLU	HB2	H	1.920	0.02	2
431	1	43	GLU	HB3	H	1.920	0.02	2
432	1	43	GLU	HG2	H	2.180	0.02	2
433	1	43	GLU	HG3	H	2.180	0.02	2
434	1	43	GLU	CA	C	58.000	0.30	1
435	1	43	GLU	CG	C	34.400	0.30	1
436	1	43	GLU	N	N	117.800	0.30	1
437	1	44	THR	H	H	8.100	0.02	1
438	1	44	THR	HA	H	3.700	0.02	1
439	1	44	THR	HB	H	4.110	0.02	1
440	1	44	THR	HG21	H	1.060	0.02	1
441	1	44	THR	HG22	H	1.060	0.02	1
442	1	44	THR	HG23	H	1.060	0.02	1
443	1	44	THR	CA	C	65.000	0.30	1
444	1	44	THR	CB	C	65.100	0.30	1
445	1	44	THR	CG2	C	19.400	0.30	1
446	1	44	THR	N	N	118.200	0.30	1
447	1	45	PHE	H	H	8.300	0.02	1
448	1	45	PHE	HA	H	4.490	0.02	1
449	1	45	PHE	HB2	H	3.290	0.02	2
450	1	45	PHE	HB3	H	3.170	0.02	2
451	1	45	PHE	HD1	H	6.900	0.02	3
452	1	45	PHE	HD2	H	6.900	0.02	3
453	1	45	PHE	HE1	H	7.200	0.02	3
454	1	45	PHE	HE2	H	7.200	0.02	3
455	1	45	PHE	HZ	H	7.040	0.02	1
456	1	45	PHE	CA	C	56.800	0.30	1
457	1	45	PHE	CB	C	35.100	0.30	1
458	1	45	PHE	N	N	119.900	0.30	1
459	1	46	CYS	H	H	8.160	0.02	1
460	1	46	CYS	HA	H	3.970	0.02	1
461	1	46	CYS	HB2	H	3.270	0.02	2
462	1	46	CYS	HB3	H	3.040	0.02	2
463	1	46	CYS	CA	C	58.000	0.30	1
464	1	46	CYS	CB	C	38.800	0.30	1
465	1	46	CYS	N	N	119.800	0.30	1
466	1	47	ARG	H	H	9.020	0.02	1
467	1	47	ARG	HA	H	3.860	0.02	1
468	1	47	ARG	HB2	H	2.080	0.02	4
469	1	47	ARG	HB3	H	1.930	0.02	4
470	1	47	ARG	HG2	H	1.610	0.02	4
471	1	47	ARG	HG3	H	1.610	0.02	4
472	1	47	ARG	HD2	H	3.200	0.02	2
473	1	47	ARG	HD3	H	2.970	0.02	2
474	1	47	ARG	HE	H	7.380	0.02	1
475	1	47	ARG	CA	C	58.000	0.30	1
476	1	47	ARG	N	N	124.000	0.30	1
477	1	48	ALA	H	H	8.790	0.02	1
478	1	48	ALA	HA	H	4.190	0.02	1
479	1	48	ALA	HB1	H	1.610	0.02	1
480	1	48	ALA	HB2	H	1.610	0.02	1
481	1	48	ALA	HB3	H	1.610	0.02	1
482	1	48	ALA	CA	C	53.700	0.30	1
483	1	48	ALA	CB	C	16.300	0.30	1
484	1	48	ALA	N	N	121.500	0.30	1
485	1	49	ALA	H	H	8.200	0.02	1
486	1	49	ALA	HA	H	3.970	0.02	1
487	1	49	ALA	CA	C	54.000	0.30	1
488	1	49	ALA	N	N	120.300	0.30	1
489	1	50	THR	H	H	8.180	0.02	1
490	1	50	THR	HA	H	3.780	0.02	1
491	1	50	THR	HB	H	4.550	0.02	1
492	1	50	THR	HG21	H	1.290	0.02	1
493	1	50	THR	HG22	H	1.290	0.02	1
494	1	50	THR	HG23	H	1.290	0.02	1
495	1	50	THR	CA	C	65.100	0.30	1
496	1	50	THR	CB	C	66.600	0.30	1
497	1	50	THR	CG2	C	19.300	0.30	1
498	1	50	THR	N	N	114.400	0.30	1
499	1	51	VAL	H	H	8.200	0.02	1
500	1	51	VAL	HA	H	3.810	0.02	1
501	1	51	VAL	HB	H	2.200	0.02	1
502	1	51	VAL	HG11	H	1.080	0.02	2
503	1	51	VAL	HG12	H	1.080	0.02	2
504	1	51	VAL	HG13	H	1.080	0.02	2
505	1	51	VAL	HG21	H	0.800	0.02	2
506	1	51	VAL	HG22	H	0.800	0.02	2
507	1	51	VAL	HG23	H	0.800	0.02	2
508	1	51	VAL	CA	C	64.000	0.30	1
509	1	51	VAL	CB	C	29.600	0.30	1
510	1	51	VAL	CG1	C	20.700	0.30	2
511	1	51	VAL	CG2	C	19.600	0.30	2
512	1	51	VAL	N	N	120.700	0.30	1
513	1	52	LEU	H	H	8.140	0.02	1
514	1	52	LEU	HA	H	3.960	0.02	1
515	1	52	LEU	HB2	H	2.170	0.02	2
516	1	52	LEU	HB3	H	1.430	0.02	2
517	1	52	LEU	HD11	H	0.900	0.02	2
518	1	52	LEU	HD12	H	0.900	0.02	2
519	1	52	LEU	HD13	H	0.900	0.02	2
520	1	52	LEU	HD21	H	0.800	0.02	2
521	1	52	LEU	HD22	H	0.800	0.02	2
522	1	52	LEU	HD23	H	0.800	0.02	2
523	1	52	LEU	CA	C	56.500	0.30	1
524	1	52	LEU	CD1	C	24.300	0.30	2
525	1	52	LEU	CD2	C	21.600	0.30	2
526	1	52	LEU	N	N	120.900	0.30	1
527	1	53	ARG	H	H	8.260	0.02	1
528	1	53	ARG	HA	H	3.100	0.02	1
529	1	53	ARG	HB2	H	2.090	0.02	4
530	1	53	ARG	HB3	H	1.770	0.02	4
531	1	53	ARG	HG2	H	1.490	0.02	4
532	1	53	ARG	HG3	H	1.330	0.02	4
533	1	53	ARG	CA	C	56.800	0.30	1
534	1	53	ARG	N	N	120.200	0.30	1
535	1	54	GLN	H	H	8.060	0.02	1
536	1	54	GLN	HA	H	3.830	0.02	1
537	1	54	GLN	HB2	H	2.320	0.02	2
538	1	54	GLN	HB3	H	2.090	0.02	2
539	1	54	GLN	HG2	H	2.510	0.02	2
540	1	54	GLN	HG3	H	2.320	0.02	2
541	1	54	GLN	HE21	H	7.270	0.02	2
542	1	54	GLN	HE22	H	6.720	0.02	2
543	1	54	GLN	CA	C	57.200	0.30	1
544	1	54	GLN	CB	C	25.700	0.30	1
545	1	54	GLN	CG	C	31.700	0.30	1
546	1	54	GLN	N	N	120.600	0.30	1
547	1	54	GLN	NE2	N	110.200	0.30	1
548	1	55	PHE	H	H	8.030	0.02	1
549	1	55	PHE	HA	H	4.320	0.02	1
550	1	55	PHE	HB2	H	3.450	0.02	2
551	1	55	PHE	HB3	H	3.160	0.02	2
552	1	55	PHE	HD1	H	7.120	0.02	3
553	1	55	PHE	HD2	H	7.120	0.02	3
554	1	55	PHE	HE1	H	6.940	0.02	3
555	1	55	PHE	HE2	H	6.940	0.02	3
556	1	55	PHE	HZ	H	7.310	0.02	1
557	1	55	PHE	CA	C	60.300	0.30	1
558	1	55	PHE	CB	C	36.800	0.30	1
559	1	55	PHE	N	N	119.200	0.30	1
560	1	56	TYR	H	H	9.220	0.02	1
561	1	56	TYR	HA	H	4.260	0.02	1
562	1	56	TYR	HB2	H	3.480	0.02	2
563	1	56	TYR	HB3	H	2.910	0.02	2
564	1	56	TYR	HD1	H	6.940	0.02	3
565	1	56	TYR	HD2	H	6.940	0.02	3
566	1	56	TYR	HE1	H	6.820	0.02	3
567	1	56	TYR	HE2	H	6.820	0.02	3
568	1	56	TYR	CA	C	58.400	0.30	1
569	1	56	TYR	CB	C	35.800	0.30	1
570	1	56	TYR	N	N	117.300	0.30	1
571	1	57	SER	H	H	7.970	0.02	1
572	1	57	SER	HA	H	4.400	0.02	1
573	1	57	SER	HB2	H	3.810	0.02	2
574	1	57	SER	HB3	H	3.760	0.02	2
575	1	57	SER	CA	C	59.200	0.30	1
576	1	57	SER	CB	C	60.200	0.30	1
577	1	57	SER	N	N	118.900	0.30	1
578	1	58	HIS	H	H	7.540	0.02	1
579	1	58	HIS	HA	H	4.550	0.02	1
580	1	58	HIS	HB2	H	2.770	0.02	2
581	1	58	HIS	HB3	H	2.710	0.02	2
582	1	58	HIS	CA	C	55.100	0.30	1
583	1	58	HIS	N	N	116.300	0.30	1
584	1	59	HIS	H	H	7.900	0.02	1
585	1	59	HIS	HA	H	5.010	0.02	1
586	1	59	HIS	HB2	H	3.450	0.02	2
587	1	59	HIS	HB3	H	2.210	0.02	2
588	1	59	HIS	HD2	H	6.050	0.02	1
589	1	59	HIS	HE1	H	8.470	0.02	1
590	1	59	HIS	CA	C	53.700	0.30	1
591	1	59	HIS	N	N	111.400	0.30	1
592	1	60	GLU	H	H	8.080	0.02	1
593	1	60	GLU	HA	H	3.950	0.02	1
594	1	60	GLU	HB2	H	2.100	0.02	2
595	1	60	GLU	HB3	H	2.100	0.02	2
596	1	60	GLU	HG2	H	2.580	0.02	2
597	1	60	GLU	HG3	H	2.280	0.02	2
598	1	60	GLU	CA	C	58.900	0.30	1
599	1	60	GLU	N	N	124.500	0.30	1
600	1	61	LYS	H	H	8.590	0.20	1
601	1	61	LYS	HA	H	4.480	0.02	1
602	1	61	LYS	HB2	H	2.070	0.02	4
603	1	61	LYS	HB3	H	1.600	0.02	4
604	1	61	LYS	HG2	H	1.340	0.02	4
605	1	61	LYS	HG3	H	1.340	0.02	4
606	1	61	LYS	CA	C	52.700	0.30	1
607	1	61	LYS	N	N	116.500	0.30	1
608	1	62	ASP	H	H	6.600	0.02	1
609	1	62	ASP	HA	H	4.580	0.02	1
610	1	62	ASP	HB2	H	2.990	0.02	2
611	1	62	ASP	HB3	H	2.700	0.02	2
612	1	62	ASP	CA	C	51.500	0.30	1
613	1	62	ASP	N	N	119.200	0.30	1
614	1	63	THR	H	H	8.790	0.02	1
615	1	63	THR	HA	H	3.840	0.02	1
616	1	63	THR	HB	H	4.290	0.02	1
617	1	63	THR	HG21	H	1.340	0.02	1
618	1	63	THR	HG22	H	1.340	0.02	1
619	1	63	THR	HG23	H	1.340	0.02	1
620	1	63	THR	CA	C	63.000	0.30	1
621	1	63	THR	CB	C	66.200	0.30	1
622	1	63	THR	CG2	C	20.000	0.30	1
623	1	63	THR	N	N	122.700	0.30	1
624	1	64	ARG	H	H	8.490	0.02	1
625	1	64	ARG	HA	H	4.080	0.02	1
626	1	64	ARG	HD2	H	3.260	0.02	2
627	1	64	ARG	HD3	H	3.200	0.02	2
628	1	64	ARG	HE	H	7.510	0.02	1
629	1	64	ARG	CA	C	56.700	0.30	1
630	1	64	ARG	N	N	121.500	0.30	1
631	1	65	CYS	H	H	7.430	0.02	1
632	1	65	CYS	HA	H	4.390	0.02	1
633	1	65	CYS	HB2	H	3.100	0.02	2
634	1	65	CYS	HB3	H	2.600	0.02	2
635	1	65	CYS	CA	C	54.900	0.30	1
636	1	65	CYS	N	N	113.600	0.30	1
637	1	66	LEU	H	H	7.380	0.02	1
638	1	66	LEU	HA	H	3.740	0.02	1
639	1	66	LEU	HB2	H	1.600	0.02	2
640	1	66	LEU	HB3	H	1.410	0.02	2
641	1	66	LEU	HG	H	1.410	0.02	1
642	1	66	LEU	HD11	H	0.730	0.02	2
643	1	66	LEU	HD12	H	0.730	0.02	2
644	1	66	LEU	HD13	H	0.730	0.02	2
645	1	66	LEU	HD21	H	0.730	0.02	2
646	1	66	LEU	HD22	H	0.730	0.02	2
647	1	66	LEU	HD23	H	0.730	0.02	2
648	1	66	LEU	CA	C	55.600	0.30	1
649	1	66	LEU	CD1	C	23.300	0.30	2
650	1	66	LEU	CD2	C	22.300	0.30	2
651	1	66	LEU	N	N	119.400	0.30	1
652	1	67	GLY	H	H	7.080	0.02	1
653	1	67	GLY	HA2	H	3.910	0.02	2
654	1	67	GLY	HA3	H	3.680	0.02	2
655	1	67	GLY	CA	C	43.500	0.30	1
656	1	67	GLY	N	N	99.600	0.30	1
657	1	68	ALA	H	H	8.400	0.02	1
658	1	68	ALA	HA	H	4.700	0.02	1
659	1	68	ALA	HB1	H	1.450	0.02	1
660	1	68	ALA	HB2	H	1.450	0.02	1
661	1	68	ALA	HB3	H	1.450	0.02	1
662	1	68	ALA	CA	C	50.400	0.30	1
663	1	68	ALA	CB	C	19.200	0.30	1
664	1	68	ALA	N	N	120.800	0.30	1
665	1	69	THR	H	H	7.590	0.02	1
666	1	69	THR	HA	H	4.710	0.02	1
667	1	69	THR	HB	H	4.620	0.02	1
668	1	69	THR	HG21	H	1.250	0.02	1
669	1	69	THR	HG22	H	1.250	0.02	1
670	1	69	THR	HG23	H	1.250	0.02	1
671	1	69	THR	CA	C	57.400	0.30	1
672	1	69	THR	CG2	C	19.500	0.30	1
673	1	69	THR	N	N	107.700	0.30	1
674	1	70	ALA	H	H	8.930	0.02	1
675	1	70	ALA	HA	H	4.120	0.02	1
676	1	70	ALA	HB1	H	1.470	0.02	1
677	1	70	ALA	HB2	H	1.470	0.02	1
678	1	70	ALA	HB3	H	1.470	0.02	1
679	1	70	ALA	CA	C	53.300	0.30	1
680	1	70	ALA	CB	C	15.500	0.30	1
681	1	70	ALA	N	N	124.900	0.30	1
682	1	71	GLN	H	H	8.500	0.02	1
683	1	71	GLN	HA	H	4.210	0.02	1
684	1	71	GLN	HB2	H	2.180	0.02	2
685	1	71	GLN	HB3	H	2.080	0.02	2
686	1	71	GLN	HG2	H	2.490	0.02	2
687	1	71	GLN	HG3	H	2.490	0.02	2
688	1	71	GLN	HE21	H	7.520	0.02	2
689	1	71	GLN	HE22	H	6.920	0.02	2
690	1	71	GLN	CA	C	57.700	0.30	1
691	1	71	GLN	CG	C	32.300	0.30	1
692	1	71	GLN	N	N	117.000	0.30	1
693	1	71	GLN	NE2	N	111.900	0.30	1
694	1	72	GLN	H	H	7.810	0.02	1
695	1	72	GLN	HA	H	4.120	0.02	1
696	1	72	GLN	HB2	H	2.530	0.02	4
697	1	72	GLN	HB3	H	2.310	0.02	4
698	1	72	GLN	HE21	H	7.540	0.02	2
699	1	72	GLN	HE22	H	7.040	0.02	2
700	1	72	GLN	N	N	119.800	0.30	1
701	1	72	GLN	NE2	N	112.600	0.30	1
702	1	73	PHE	H	H	8.410	0.02	1
703	1	73	PHE	HA	H	4.520	0.02	1
704	1	73	PHE	HB2	H	3.480	0.02	2
705	1	73	PHE	HB3	H	3.270	0.02	2
706	1	73	PHE	HD1	H	7.230	0.02	3
707	1	73	PHE	HD2	H	7.230	0.02	3
708	1	73	PHE	HE1	H	7.340	0.02	3
709	1	73	PHE	HE2	H	7.340	0.02	3
710	1	73	PHE	CA	C	58.100	0.30	1
711	1	73	PHE	CB	C	36.400	0.30	1
712	1	73	PHE	N	N	122.900	0.30	1
713	1	74	HIS	H	H	8.460	0.02	1
714	1	74	HIS	HA	H	4.260	0.02	1
715	1	74	HIS	HB2	H	3.350	0.02	2
716	1	74	HIS	HB3	H	3.280	0.02	2
717	1	74	HIS	CA	C	57.900	0.30	1
718	1	74	HIS	N	N	117.500	0.30	1
719	1	75	ARG	H	H	8.210	0.02	1
720	1	75	ARG	HA	H	4.020	0.02	1
721	1	75	ARG	HB2	H	2.100	0.02	4
722	1	75	ARG	HB3	H	1.980	0.02	4
723	1	75	ARG	HG2	H	1.790	0.02	4
724	1	75	ARG	HG3	H	1.790	0.02	4
725	1	75	ARG	HD2	H	3.240	0.02	2
726	1	75	ARG	HD3	H	3.240	0.02	2
727	1	75	ARG	HE	H	7.370	0.02	1
728	1	75	ARG	CA	C	57.400	0.30	1
729	1	75	ARG	CD	C	41.600	0.30	1
730	1	75	ARG	N	N	119.200	0.30	1
731	1	76	HIS	H	H	8.330	0.02	1
732	1	76	HIS	HA	H	4.590	0.02	1
733	1	76	HIS	HB2	H	3.320	0.02	2
734	1	76	HIS	HB3	H	3.200	0.02	2
735	1	76	HIS	N	N	120.800	0.30	1
736	1	77	LYS	H	H	8.160	0.02	1
737	1	77	LYS	HA	H	3.630	0.02	1
738	1	77	LYS	HB2	H	1.850	0.02	4
739	1	77	LYS	HB3	H	1.690	0.02	4
740	1	77	LYS	HG2	H	1.550	0.02	4
741	1	77	LYS	HG3	H	1.550	0.02	4
742	1	77	LYS	CA	C	57.700	0.30	1
743	1	77	LYS	N	N	117.500	0.30	1
744	1	78	GLN	H	H	7.900	0.02	1
745	1	78	GLN	HA	H	3.740	0.02	1
746	1	78	GLN	HB2	H	1.950	0.02	4
747	1	78	GLN	HB3	H	1.770	0.02	4
748	1	78	GLN	HE21	H	7.080	0.02	2
749	1	78	GLN	HE22	H	6.820	0.02	2
750	1	78	GLN	CA	C	56.800	0.30	1
751	1	78	GLN	N	N	118.500	0.30	1
752	1	78	GLN	NE2	N	112.000	0.30	1
753	1	79	LEU	H	H	7.890	0.02	1
754	1	79	LEU	HA	H	4.020	0.02	1
755	1	79	LEU	HD11	H	1.000	0.02	2
756	1	79	LEU	HD12	H	1.000	0.02	2
757	1	79	LEU	HD13	H	1.000	0.02	2
758	1	79	LEU	HD21	H	0.910	0.02	2
759	1	79	LEU	HD22	H	0.910	0.02	2
760	1	79	LEU	HD23	H	0.910	0.02	2
761	1	79	LEU	CA	C	57.300	0.30	1
762	1	79	LEU	CD1	C	24.000	0.30	2
763	1	79	LEU	CD2	C	22.100	0.30	2
764	1	79	LEU	N	N	121.700	0.30	1
765	1	80	ILE	H	H	8.100	0.02	1
766	1	80	ILE	HA	H	3.530	0.02	1
767	1	80	ILE	HB	H	2.060	0.02	1
768	1	80	ILE	HG12	H	1.350	0.02	2
769	1	80	ILE	HG13	H	1.020	0.02	2
770	1	80	ILE	HG21	H	0.760	0.02	1
771	1	80	ILE	HG22	H	0.760	0.02	1
772	1	80	ILE	HG23	H	0.760	0.02	1
773	1	80	ILE	HD11	H	0.690	0.02	1
774	1	80	ILE	HD12	H	0.690	0.02	1
775	1	80	ILE	HD13	H	0.690	0.02	1
776	1	80	ILE	CA	C	59.700	0.30	1
777	1	80	ILE	CG2	C	15.400	0.30	1
778	1	80	ILE	CD1	C	6.700	0.30	1
779	1	80	ILE	N	N	116.400	0.30	1
780	1	81	ARG	H	H	7.840	0.02	1
781	1	81	ARG	HA	H	3.790	0.02	1
782	1	81	ARG	HB2	H	1.780	0.02	4
783	1	81	ARG	HB3	H	1.680	0.02	4
784	1	81	ARG	HG2	H	1.380	0.02	4
785	1	81	ARG	HG3	H	1.380	0.02	4
786	1	81	ARG	HD2	H	3.070	0.02	2
787	1	81	ARG	HD3	H	3.070	0.02	2
788	1	81	ARG	HE	H	7.040	0.02	1
789	1	81	ARG	CA	C	58.000	0.30	1
790	1	81	ARG	CD	C	41.600	0.30	1
791	1	81	ARG	N	N	119.400	0.30	1
792	1	82	PHE	H	H	8.510	0.02	1
793	1	82	PHE	HA	H	4.450	0.02	1
794	1	82	PHE	HB2	H	3.420	0.02	2
795	1	82	PHE	HB3	H	2.970	0.02	2
796	1	82	PHE	HD1	H	7.190	0.02	3
797	1	82	PHE	HD2	H	7.190	0.02	3
798	1	82	PHE	HE1	H	7.360	0.02	3
799	1	82	PHE	HE2	H	7.360	0.02	3
800	1	82	PHE	CA	C	57.800	0.30	1
801	1	82	PHE	N	N	119.000	0.30	1
802	1	83	LEU	H	H	8.810	0.02	1
803	1	83	LEU	HA	H	4.100	0.02	1
804	1	83	LEU	HB2	H	1.590	0.02	2
805	1	83	LEU	HB3	H	1.590	0.02	2
806	1	83	LEU	HG	H	2.330	0.02	1
807	1	83	LEU	HD11	H	1.020	0.02	2
808	1	83	LEU	HD12	H	1.020	0.02	2
809	1	83	LEU	HD13	H	1.020	0.02	2
810	1	83	LEU	HD21	H	0.960	0.02	2
811	1	83	LEU	HD22	H	0.960	0.02	2
812	1	83	LEU	HD23	H	0.960	0.02	2
813	1	83	LEU	CA	C	56.800	0.30	1
814	1	83	LEU	CG	C	24.500	0.30	1
815	1	83	LEU	CD1	C	25.600	0.30	2
816	1	83	LEU	CD2	C	21.600	0.30	2
817	1	83	LEU	N	N	120.400	0.30	1
818	1	84	LYS	H	H	8.140	0.02	1
819	1	84	LYS	HA	H	3.780	0.02	1
820	1	84	LYS	CA	C	58.000	0.30	1
821	1	84	LYS	N	N	119.000	0.30	1
822	1	85	ARG	H	H	7.640	0.02	1
823	1	85	ARG	HA	H	4.010	0.02	1
824	1	85	ARG	HB2	H	1.990	0.02	2
825	1	85	ARG	HB3	H	1.990	0.02	2
826	1	85	ARG	HG2	H	1.750	0.02	4
827	1	85	ARG	HG3	H	1.580	0.02	4
828	1	85	ARG	HD2	H	3.110	0.02	2
829	1	85	ARG	HD3	H	3.110	0.02	2
830	1	85	ARG	HE	H	7.310	0.02	1
831	1	85	ARG	CD	C	41.600	0.30	1
832	1	85	ARG	N	N	120.500	0.30	1
833	1	86	LEU	H	H	8.510	0.02	1
834	1	86	LEU	HA	H	4.090	0.02	1
835	1	86	LEU	CA	C	56.400	0.30	1
836	1	86	LEU	N	N	120.300	0.30	1
837	1	87	ASP	H	H	8.360	0.02	1
838	1	87	ASP	HA	H	4.270	0.02	1
839	1	87	ASP	HB2	H	3.290	0.02	2
840	1	87	ASP	HB3	H	3.160	0.02	2
841	1	87	ASP	CA	C	56.000	0.30	1
842	1	87	ASP	CB	C	39.900	0.30	1
843	1	87	ASP	N	N	117.500	0.30	1
844	1	88	ARG	H	H	7.590	0.02	1
845	1	88	ARG	HA	H	4.020	0.02	1
846	1	88	ARG	HB2	H	1.990	0.02	2
847	1	88	ARG	HB3	H	1.760	0.02	2
848	1	88	ARG	HD2	H	3.210	0.02	2
849	1	88	ARG	HD3	H	3.210	0.02	2
850	1	88	ARG	HE	H	7.220	0.02	1
851	1	88	ARG	N	N	115.200	0.30	1
852	1	89	ASN	H	H	8.210	0.02	1
853	1	89	ASN	HA	H	4.570	0.02	1
854	1	89	ASN	HB2	H	2.730	0.02	2
855	1	89	ASN	HB3	H	2.460	0.02	2
856	1	89	ASN	HD21	H	7.170	0.02	2
857	1	89	ASN	HD22	H	7.010	0.02	2
858	1	89	ASN	CA	C	54.500	0.30	1
859	1	89	ASN	CB	C	37.500	0.30	1
860	1	89	ASN	N	N	116.900	0.30	1
861	1	89	ASN	ND2	N	108.800	0.30	1
862	1	90	LEU	H	H	8.810	0.02	1
863	1	90	LEU	HA	H	3.830	0.02	1
864	1	90	LEU	HD11	H	0.830	0.02	2
865	1	90	LEU	HD12	H	0.830	0.02	2
866	1	90	LEU	HD13	H	0.830	0.02	2
867	1	90	LEU	HD21	H	0.640	0.02	2
868	1	90	LEU	HD22	H	0.640	0.02	2
869	1	90	LEU	HD23	H	0.640	0.02	2
870	1	90	LEU	CA	C	56.700	0.30	1
871	1	90	LEU	CD1	C	24.500	0.30	2
872	1	90	LEU	CD2	C	21.500	0.30	2
873	1	90	LEU	N	N	121.700	0.30	1
874	1	91	TRP	H	H	9.040	0.02	1
875	1	91	TRP	HA	H	4.250	0.02	1
876	1	91	TRP	HB2	H	3.380	0.02	2
877	1	91	TRP	HB3	H	3.350	0.02	2
878	1	91	TRP	HD1	H	7.270	0.02	1
879	1	91	TRP	HE1	H	9.830	0.02	1
880	1	91	TRP	HE3	H	7.570	0.02	1
881	1	91	TRP	HZ2	H	7.430	0.02	1
882	1	91	TRP	HZ3	H	7.230	0.02	1
883	1	91	TRP	HH2	H	7.170	0.02	1
884	1	91	TRP	CA	C	58.100	0.30	1
885	1	91	TRP	N	N	119.300	0.30	1
886	1	92	GLY	H	H	8.030	0.02	1
887	1	92	GLY	HA2	H	3.980	0.02	2
888	1	92	GLY	HA3	H	3.810	0.02	2
889	1	92	GLY	CA	C	44.900	0.30	1
890	1	92	GLY	N	N	106.200	0.30	1
891	1	93	LEU	H	H	7.680	0.02	1
892	1	93	LEU	HA	H	4.150	0.02	1
893	1	93	LEU	HB2	H	1.520	0.02	2
894	1	93	LEU	HB3	H	1.520	0.02	2
895	1	93	LEU	HG	H	1.620	0.02	1
896	1	93	LEU	HD11	H	0.530	0.02	2
897	1	93	LEU	HD12	H	0.530	0.02	2
898	1	93	LEU	HD13	H	0.530	0.02	2
899	1	93	LEU	HD21	H	0.530	0.02	2
900	1	93	LEU	HD22	H	0.530	0.02	2
901	1	93	LEU	HD23	H	0.530	0.02	2
902	1	93	LEU	CA	C	54.900	0.30	1
903	1	93	LEU	CD1	C	22.600	0.30	2
904	1	93	LEU	CD2	C	22.500	0.30	2
905	1	93	LEU	N	N	121.200	0.30	1
906	1	94	ALA	H	H	7.980	0.02	1
907	1	94	ALA	HA	H	4.190	0.02	1
908	1	94	ALA	HB1	H	1.570	0.02	1
909	1	94	ALA	HB2	H	1.570	0.02	1
910	1	94	ALA	HB3	H	1.570	0.02	1
911	1	94	ALA	CA	C	52.500	0.30	1
912	1	94	ALA	CB	C	18.200	0.30	1
913	1	94	ALA	N	N	119.800	0.30	1
914	1	95	GLY	H	H	7.590	0.02	1
915	1	95	GLY	HA2	H	3.780	0.02	2
916	1	95	GLY	HA3	H	3.640	0.02	2
917	1	95	GLY	CA	C	44.600	0.30	1
918	1	95	GLY	N	N	102.100	0.30	1
919	1	96	LEU	H	H	7.510	0.02	1
920	1	96	LEU	HA	H	4.390	0.02	1
921	1	96	LEU	HB2	H	1.430	0.02	2
922	1	96	LEU	HB3	H	1.430	0.02	2
923	1	96	LEU	HG	H	1.570	0.02	1
924	1	96	LEU	HD11	H	0.830	0.02	2
925	1	96	LEU	HD12	H	0.830	0.02	2
926	1	96	LEU	HD13	H	0.830	0.02	2
927	1	96	LEU	HD21	H	0.830	0.02	2
928	1	96	LEU	HD22	H	0.830	0.02	2
929	1	96	LEU	HD23	H	0.830	0.02	2
930	1	96	LEU	CA	C	51.900	0.30	1
931	1	96	LEU	CD1	C	21.600	0.30	2
932	1	96	LEU	CD2	C	23.000	0.30	2
933	1	96	LEU	N	N	118.600	0.30	1
934	1	97	ASN	H	H	8.420	0.02	1
935	1	97	ASN	HA	H	4.820	0.02	1
936	1	97	ASN	HB2	H	2.720	0.02	2
937	1	97	ASN	HB3	H	2.720	0.02	2
938	1	97	ASN	HD21	H	7.370	0.02	2
939	1	97	ASN	HD22	H	6.810	0.02	2
940	1	97	ASN	CA	C	52.000	0.30	1
941	1	97	ASN	CB	C	37.500	0.30	1
942	1	97	ASN	N	N	117.200	0.30	1
943	1	97	ASN	ND2	N	112.300	0.30	1
944	1	98	SER	H	H	7.480	0.02	1
945	1	98	SER	HA	H	4.610	0.02	1
946	1	98	SER	HB2	H	3.820	0.02	2
947	1	98	SER	HB3	H	3.810	0.02	2
948	1	98	SER	CA	C	55.600	0.30	1
949	1	98	SER	CB	C	61.500	0.30	1
950	1	98	SER	N	N	112.000	0.30	1
951	1	99	CYS	H	H	8.930	0.02	1
952	1	99	CYS	HA	H	4.930	0.02	1
953	1	99	CYS	HB2	H	3.490	0.02	2
954	1	99	CYS	HB3	H	3.080	0.02	2
955	1	99	CYS	CA	C	52.800	0.30	1
956	1	99	CYS	CB	C	45.000	0.30	1
957	1	99	CYS	N	N	118.900	0.30	1
958	1	100	PRO	HA	H	4.310	0.02	1
959	1	100	PRO	HB2	H	2.240	0.02	2
960	1	100	PRO	HB3	H	1.770	0.02	2
961	1	100	PRO	HG2	H	1.980	0.02	2
962	1	100	PRO	HG3	H	1.900	0.02	2
963	1	100	PRO	HD2	H	3.660	0.02	2
964	1	100	PRO	HD3	H	3.560	0.02	2
965	1	100	PRO	CA	C	60.900	0.30	1
966	1	100	PRO	CB	C	30.300	0.30	1
967	1	100	PRO	CG	C	25.600	0.30	1
968	1	101	VAL	H	H	8.410	0.02	1
969	1	101	VAL	HA	H	4.120	0.02	1
970	1	101	VAL	HB	H	1.930	0.02	1
971	1	101	VAL	HG11	H	0.950	0.02	2
972	1	101	VAL	HG12	H	0.950	0.02	2
973	1	101	VAL	HG13	H	0.950	0.02	2
974	1	101	VAL	HG21	H	0.820	0.02	2
975	1	101	VAL	HG22	H	0.820	0.02	2
976	1	101	VAL	HG23	H	0.820	0.02	2
977	1	101	VAL	CA	C	59.200	0.30	1
978	1	101	VAL	CB	C	32.000	0.30	1
979	1	101	VAL	CG1	C	19.300	0.30	2
980	1	101	VAL	CG2	C	19.600	0.30	2
981	1	101	VAL	N	N	122.800	0.30	1
982	1	102	LYS	H	H	8.510	0.02	1
983	1	102	LYS	HA	H	4.380	0.02	1
984	1	102	LYS	HB2	H	1.780	0.02	2
985	1	102	LYS	HB3	H	1.640	0.02	2
986	1	102	LYS	HG2	H	1.330	0.02	2
987	1	102	LYS	HG3	H	1.330	0.02	2
988	1	102	LYS	CA	C	53.800	0.30	1
989	1	102	LYS	N	N	128.100	0.30	1
990	1	103	GLU	H	H	8.260	0.02	1
991	1	103	GLU	HA	H	4.170	0.02	1
992	1	103	GLU	HB2	H	1.910	0.02	2
993	1	103	GLU	HB3	H	1.910	0.02	2
994	1	103	GLU	HG2	H	2.210	0.02	2
995	1	103	GLU	HG3	H	2.210	0.02	2
996	1	103	GLU	CA	C	55.500	0.30	1
997	1	103	GLU	N	N	123.400	0.30	1
998	1	104	ALA	H	H	8.150	0.02	1
999	1	104	ALA	HA	H	4.430	0.02	1
1000	1	104	ALA	HB1	H	1.360	0.02	1
1001	1	104	ALA	HB2	H	1.360	0.02	1
1002	1	104	ALA	HB3	H	1.360	0.02	1
1003	1	104	ALA	CA	C	50.300	0.30	1
1004	1	104	ALA	CB	C	18.200	0.30	1
1005	1	104	ALA	N	N	125.500	0.30	1
1006	1	105	ASN	H	H	8.300	0.02	1
1007	1	105	ASN	HA	H	4.640	0.02	1
1008	1	105	ASN	HB2	H	2.920	0.02	2
1009	1	105	ASN	HB3	H	2.770	0.02	2
1010	1	105	ASN	HD21	H	7.780	0.02	2
1011	1	105	ASN	HD22	H	6.990	0.02	2
1012	1	105	ASN	CA	C	52.100	0.30	1
1013	1	105	ASN	CB	C	36.800	0.30	1
1014	1	105	ASN	N	N	117.900	0.30	1
1015	1	105	ASN	ND2	N	113.800	0.30	1
1016	1	106	GLN	H	H	8.700	0.02	1
1017	1	106	GLN	HA	H	5.060	0.02	1
1018	1	106	GLN	HB2	H	2.010	0.02	2
1019	1	106	GLN	HB3	H	1.970	0.02	2
1020	1	106	GLN	HG2	H	2.330	0.02	2
1021	1	106	GLN	HG3	H	2.330	0.02	2
1022	1	106	GLN	HE21	H	7.270	0.02	2
1023	1	106	GLN	HE22	H	6.610	0.02	2
1024	1	106	GLN	CA	C	53.200	0.30	1
1025	1	106	GLN	CB	C	30.600	0.30	1
1026	1	106	GLN	CG	C	32.000	0.30	1
1027	1	106	GLN	N	N	119.300	0.30	1
1028	1	106	GLN	NE2	N	113.300	0.30	1
1029	1	107	SER	H	H	9.100	0.02	1
1030	1	107	SER	HA	H	4.990	0.02	1
1031	1	107	SER	HB2	H	3.990	0.02	2
1032	1	107	SER	HB3	H	3.700	0.02	2
1033	1	107	SER	CA	C	54.400	0.30	1
1034	1	107	SER	CB	C	64.500	0.30	1
1035	1	107	SER	N	N	116.000	0.30	1
1036	1	108	THR	H	H	8.900	0.02	1
1037	1	108	THR	HA	H	4.410	0.02	1
1038	1	108	THR	HB	H	4.720	0.02	1
1039	1	108	THR	HG21	H	1.390	0.02	1
1040	1	108	THR	HG22	H	1.390	0.02	1
1041	1	108	THR	HG23	H	1.390	0.02	1
1042	1	108	THR	CA	C	59.800	0.30	1
1043	1	108	THR	CB	C	68.200	0.30	1
1044	1	108	THR	CG2	C	20.300	0.30	1
1045	1	108	THR	N	N	113.400	0.30	1
1046	1	109	LEU	H	H	8.870	0.02	1
1047	1	109	LEU	HA	H	3.950	0.02	1
1048	1	109	LEU	HB2	H	1.770	0.02	2
1049	1	109	LEU	HB3	H	0.930	0.02	2
1050	1	109	LEU	HG	H	1.370	0.02	1
1051	1	109	LEU	HD11	H	0.300	0.02	2
1052	1	109	LEU	HD12	H	0.300	0.02	2
1053	1	109	LEU	HD13	H	0.300	0.02	2
1054	1	109	LEU	HD21	H	0.100	0.02	2
1055	1	109	LEU	HD22	H	0.100	0.02	2
1056	1	109	LEU	HD23	H	0.100	0.02	2
1057	1	109	LEU	CA	C	56.500	0.30	1
1058	1	109	LEU	CD1	C	20.600	0.30	2
1059	1	109	LEU	CD2	C	23.600	0.30	2
1060	1	109	LEU	N	N	125.300	0.30	1
1061	1	110	GLU	H	H	8.540	0.02	1
1062	1	110	GLU	HA	H	3.940	0.02	1
1063	1	110	GLU	HB2	H	2.080	0.02	2
1064	1	110	GLU	HB3	H	1.880	0.02	2
1065	1	110	GLU	HG2	H	2.320	0.02	4
1066	1	110	GLU	CA	C	58.000	0.02	1
1067	1	110	GLU	N	N	117.300	0.02	1
1068	1	111	ASN	H	H	7.900	0.02	1
1069	1	111	ASN	HA	H	4.400	0.02	1
1070	1	111	ASN	HB2	H	2.860	0.02	2
1071	1	111	ASN	HB3	H	2.810	0.02	2
1072	1	111	ASN	HD21	H	7.670	0.02	2
1073	1	111	ASN	HD22	H	6.920	0.02	2
1074	1	111	ASN	CA	C	54.800	0.30	1
1075	1	111	ASN	N	N	117.900	0.30	1
1076	1	111	ASN	ND2	N	112.700	0.30	1
1077	1	112	PHE	H	H	8.380	0.02	1
1078	1	112	PHE	HA	H	4.370	0.02	1
1079	1	112	PHE	HB2	H	3.460	0.02	2
1080	1	112	PHE	HB3	H	2.990	0.02	2
1081	1	112	PHE	HD1	H	7.200	0.02	3
1082	1	112	PHE	HD2	H	7.200	0.02	3
1083	1	112	PHE	CA	C	58.800	0.30	1
1084	1	112	PHE	CB	C	38.200	0.30	1
1085	1	112	PHE	N	N	122.100	0.30	1
1086	1	113	LEU	H	H	8.910	0.02	1
1087	1	113	LEU	HA	H	3.870	0.02	1
1088	1	113	LEU	HG	H	2.070	0.02	1
1089	1	113	LEU	HD11	H	0.770	0.02	2
1090	1	113	LEU	HD12	H	0.770	0.02	2
1091	1	113	LEU	HD13	H	0.770	0.02	2
1092	1	113	LEU	HD21	H	0.750	0.02	2
1093	1	113	LEU	HD22	H	0.750	0.02	2
1094	1	113	LEU	HD23	H	0.750	0.02	2
1095	1	113	LEU	CA	C	55.900	0.30	1
1096	1	113	LEU	CD1	C	20.500	0.30	2
1097	1	113	LEU	CD2	C	24.400	0.30	2
1098	1	113	LEU	N	N	118.200	0.30	1
1099	1	114	GLU	H	H	7.970	0.02	1
1100	1	114	GLU	HA	H	4.020	0.02	1
1101	1	114	GLU	HG2	H	2.390	0.02	2
1102	1	114	GLU	HG3	H	2.390	0.02	2
1103	1	114	GLU	CA	C	57.600	0.30	1
1104	1	114	GLU	N	N	118.900	0.30	1
1105	1	115	ARG	H	H	7.940	0.02	1
1106	1	115	ARG	HA	H	3.830	0.02	1
1107	1	115	ARG	HB2	H	1.550	0.02	2
1108	1	115	ARG	HB3	H	1.550	0.02	2
1109	1	115	ARG	HD2	H	3.010	0.02	2
1110	1	115	ARG	HD3	H	2.930	0.02	2
1111	1	115	ARG	HE	H	6.900	0.02	1
1112	1	115	ARG	CA	C	56.800	0.30	1
1113	1	115	ARG	CD	C	40.500	0.30	1
1114	1	115	ARG	N	N	121.100	0.30	1
1115	1	116	LEU	H	H	8.090	0.02	1
1116	1	116	LEU	HA	H	3.760	0.02	1
1117	1	116	LEU	HD11	H	0.910	0.02	2
1118	1	116	LEU	HD12	H	0.910	0.02	2
1119	1	116	LEU	HD13	H	0.910	0.02	2
1120	1	116	LEU	HD21	H	0.900	0.02	2
1121	1	116	LEU	HD22	H	0.900	0.02	2
1122	1	116	LEU	HD23	H	0.900	0.02	2
1123	1	116	LEU	CA	C	55.700	0.30	1
1124	1	116	LEU	CD1	C	24.300	0.30	2
1125	1	116	LEU	CD2	C	21.400	0.30	2
1126	1	116	LEU	N	N	119.700	0.30	1
1127	1	117	LYS	H	H	8.510	0.02	1
1128	1	117	LYS	HA	H	3.620	0.02	1
1129	1	117	LYS	HB2	H	2.070	0.02	2
1130	1	117	LYS	HB3	H	1.710	0.02	2
1131	1	117	LYS	HG2	H	1.370	0.02	4
1132	1	117	LYS	HG3	H	1.320	0.02	4
1133	1	117	LYS	CA	C	58.200	0.30	1
1134	1	117	LYS	N	N	119.800	0.30	1
1135	1	118	THR	H	H	7.920	0.02	1
1136	1	118	THR	HA	H	3.790	0.02	1
1137	1	118	THR	HB	H	4.270	0.02	1
1138	1	118	THR	HG21	H	1.180	0.02	1
1139	1	118	THR	HG22	H	1.180	0.02	1
1140	1	118	THR	HG23	H	1.180	0.02	1
1141	1	118	THR	CA	C	64.800	0.30	1
1142	1	118	THR	CB	C	66.300	0.30	1
1143	1	118	THR	CG2	C	19.600	0.30	1
1144	1	118	THR	N	N	116.400	0.30	1
1145	1	119	ILE	H	H	7.710	0.02	1
1146	1	119	ILE	HA	H	3.820	0.02	1
1147	1	119	ILE	HB	H	1.890	0.02	1
1148	1	119	ILE	HG12	H	1.560	0.02	2
1149	1	119	ILE	HG13	H	1.110	0.02	2
1150	1	119	ILE	HG21	H	1.010	0.02	1
1151	1	119	ILE	HG22	H	1.010	0.02	1
1152	1	119	ILE	HG23	H	1.010	0.02	1
1153	1	119	ILE	HD11	H	0.670	0.02	1
1154	1	119	ILE	HD12	H	0.670	0.02	1
1155	1	119	ILE	HD13	H	0.670	0.02	1
1156	1	119	ILE	CA	C	62.600	0.30	1
1157	1	119	ILE	CB	C	36.400	0.30	1
1158	1	119	ILE	CG2	C	14.700	0.30	1
1159	1	119	ILE	CD1	C	13.000	0.30	1
1160	1	119	ILE	N	N	121.500	0.30	1
1161	1	120	MET	H	H	8.440	0.02	1
1162	1	120	MET	HA	H	4.400	0.02	1
1163	1	120	MET	HB2	H	2.020	0.02	2
1164	1	120	MET	HB3	H	1.730	0.02	2
1165	1	120	MET	HG2	H	2.710	0.02	1
1166	1	120	MET	HG3	H	2.310	0.02	1
1167	1	120	MET	HE1	H	1.520	0.02	1
1168	1	120	MET	HE2	H	1.520	0.02	1
1169	1	120	MET	HE3	H	1.520	0.02	1
1170	1	120	MET	CA	C	54.800	0.30	1
1171	1	120	MET	CG	C	30.600	0.30	1
1172	1	120	MET	CE	C	15.500	0.30	1
1173	1	120	MET	N	N	118.200	0.30	1
1174	1	121	ARG	H	H	8.640	0.02	1
1175	1	121	ARG	HA	H	3.960	0.02	1
1176	1	121	ARG	HD2	H	3.130	0.02	2
1177	1	121	ARG	HD3	H	3.130	0.02	2
1178	1	121	ARG	HE	H	7.190	0.02	1
1179	1	121	ARG	CA	C	58.000	0.30	1
1180	1	121	ARG	N	N	120.200	0.30	1
1181	1	122	GLU	H	H	7.870	0.02	1
1182	1	122	GLU	HA	H	4.100	0.02	1
1183	1	122	GLU	HB2	H	2.130	0.02	2
1184	1	122	GLU	HB3	H	2.130	0.02	2
1185	1	122	GLU	HG2	H	2.430	0.02	4
1186	1	122	GLU	HG3	H	2.210	0.02	4
1187	1	122	GLU	CA	C	57.400	0.30	1
1188	1	122	GLU	N	N	120.100	0.30	1
1189	1	123	LYS	H	H	7.880	0.02	1
1190	1	123	LYS	HA	H	4.100	0.02	1
1191	1	123	LYS	N	N	119.300	0.30	1
1192	1	124	TYR	H	H	8.550	0.02	1
1193	1	124	TYR	HA	H	4.500	0.02	1
1194	1	124	TYR	HB2	H	3.100	0.02	2
1195	1	124	TYR	HB3	H	2.980	0.02	2
1196	1	124	TYR	HD1	H	7.040	0.02	3
1197	1	124	TYR	HD2	H	7.040	0.02	3
1198	1	124	TYR	HE1	H	6.730	0.02	3
1199	1	124	TYR	HE2	H	6.730	0.02	3
1200	1	124	TYR	CA	C	57.800	0.30	1
1201	1	124	TYR	N	N	120.100	0.30	1
1202	1	125	SER	H	H	8.100	0.02	1
1203	1	125	SER	HA	H	4.170	0.02	1
1204	1	125	SER	HB2	H	4.040	0.02	2
1205	1	125	SER	HB3	H	4.030	0.02	2
1206	1	125	SER	CA	C	58.600	0.30	1
1207	1	125	SER	CB	C	60.700	0.30	1
1208	1	125	SER	N	N	114.800	0.30	1
1209	1	126	LYS	H	H	7.530	0.02	1
1210	1	126	LYS	HA	H	4.300	0.02	1
1211	1	126	LYS	HB2	H	1.960	0.02	2
1212	1	126	LYS	HB3	H	1.840	0.02	2
1213	1	126	LYS	HG2	H	1.660	0.02	4
1214	1	126	LYS	HG3	H	1.460	0.02	4
1215	1	126	LYS	CA	C	55.100	0.02	1
1216	1	126	LYS	N	N	119.000	0.30	1
1217	1	127	CYS	H	H	7.750	0.02	1
1218	1	127	CYS	HA	H	4.710	0.02	1
1219	1	127	CYS	HB2	H	3.130	0.02	2
1220	1	127	CYS	HB3	H	3.120	0.02	2
1221	1	127	CYS	CA	C	53.800	0.30	1
1222	1	127	CYS	CB	C	39.900	0.30	1
1223	1	127	CYS	N	N	115.600	0.30	1
1224	1	128	SER	H	H	7.970	0.02	1
1225	1	128	SER	HA	H	4.430	0.02	1
1226	1	128	SER	HB2	H	3.780	0.02	2
1227	1	128	SER	HB3	H	3.630	0.02	2
1228	1	128	SER	CA	C	56.700	0.30	1
1229	1	128	SER	CB	C	61.600	0.30	1
1230	1	128	SER	N	N	116.100	0.30	1
1231	1	129	SER	H	H	7.770	0.02	1
1232	1	129	SER	HA	H	4.260	0.02	1
1233	1	129	SER	HB2	H	3.850	0.02	2
1234	1	129	SER	HB3	H	3.850	0.02	2
1235	1	129	SER	CA	C	58.000	0.30	1
1236	1	129	SER	CB	C	63.000	0.30	1
1237	1	129	SER	N	N	123.300	0.30	1

Release date

2023-03-06

Citation

RDC-refined Interleukin-4 (wild type) pH 5.6
Vaz, D.C., Rodrigues, J.R., Loureiro-Ferreira, N., Mueller, T., Sebald, W., Redfield, C., Brito, R.M.M.

Related entities 1. Interleukin-4, : 1 : 15 : 4 : 9 : 28 entities Detail

Interaction partners 1. Interleukin-4, : 4 interactors Detail

More details for 4 interactors identified by 2 citations

Experiments performed 8 experiments Detail

1 2D 1H-13C HSQC

Instrument

Oxford Oxford - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 (±0.01) atm, Temperature 298 (±0.1) K, pH 5.6 (±0.05), Details 1.5 mM [U-13C; U-15N] Interleukin-4 (IL-4), 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Interleukin-4 (IL-4)	[U-13C; U-15N]		1.5 (±0.1) mM
2	NaPi	natural abundance		10 mM

2 2D 1H-15N HSQC

Instrument

Oxford Oxford - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Interleukin-4 (IL-4)	[U-13C; U-15N]		1.5 (±0.1) mM
2	NaPi	natural abundance		10 mM

3 2D 1H-15N HSQC IPAP

Instrument

Oxford Oxford - 600 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 (±0.01) atm, Temperature 298 (±0.1) K, pH 5.6 (±0.05), Details 1.5 mM [U-13C; U-15N] Interleukin-4 (IL-4), 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Interleukin-4 (IL-4)	[U-13C; U-15N]		1.5 (±0.1) mM
2	NaPi	natural abundance		10 mM

4 2D 1H-15N HSQC IPAP

Instrument

Oxford Oxford - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Interleukin-4 (IL-4)	[U-13C; U-15N]		1.5 (±0.1) mM
2	NaPi	natural abundance		10 mM

5 3D 1H-15N NOESY-HSQC

Instrument

Oxford Oxford - 750 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Interleukin-4 (IL-4)	[U-13C; U-15N]		1.5 (±0.1) mM
2	NaPi	natural abundance		10 mM

6 3D 1H-15N TOCSY-HSQC

Instrument

Oxford Oxford - 750 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Interleukin-4 (IL-4)	[U-13C; U-15N]		1.5 (±0.1) mM
2	NaPi	natural abundance		10 mM

7 3D 1H-13C HCCH-COSY

Instrument

Oxford Oxford - 750 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Interleukin-4 (IL-4)	[U-13C; U-15N]		1.5 (±0.1) mM
2	NaPi	natural abundance		10 mM

8 3D 1H-13C HCCH-TOCSY

Instrument

Oxford Oxford - 750 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Interleukin-4 (IL-4)	[U-13C; U-15N]		1.5 (±0.1) mM
2	NaPi	natural abundance		10 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34787_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:3:CYS:SG	1:127:CYS:SG	unknown, CA 52.8 ppm	oxidized, CA 53.8, CB 39.9 ppm	n/a
1:24:CYS:SG	1:65:CYS:SG	unknown, CA 55.7 ppm	unknown, CA 54.9 ppm	n/a
1:46:CYS:SG	1:99:CYS:SG	oxidized, CA 58.0, CB 38.8 ppm	oxidized, CA 52.8, CB 45.0 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr34787_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1237		99.2 (chain: 1, length: 129)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 129, Sequence coverage: 99.2%
- Total number of assignments
  - ¹H chemical shifts: 838
  - ¹³C chemical shifts: 260
  - ¹⁵N chemical shifts: 139
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	811	696	85.8
¹³C chemical shifts	599	260	43.4
¹⁵N chemical shifts	151	139	92.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	260	257	98.8
¹³C chemical shifts	258	123	47.7
¹⁵N chemical shifts	128	126	98.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	551	439	79.7
¹³C chemical shifts	341	137	40.2
¹⁵N chemical shifts	23	13	56.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	74	71	95.9
¹³C chemical shifts	74	71	95.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	54	41	75.9
¹³C chemical shifts	53	0	0.0
¹⁵N chemical shifts	1	0	0.0

Keywords 4-helix bundle, IMMUNE SYSTEM, Protein, interleukin, pleiotropic, short-chain cytokine

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Found 1 Document (0.676 seconds)

BMRB: 34787

Related entities 1. Interleukin-4, : 1 : 15 : 4 : 9 : 28 entities Detail

Interaction partners 1. Interleukin-4, : 4 interactors Detail

Experiments performed 8 experiments Detail

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Chemical shift validation 3 contents Detail