BMRBj - BMREntryMaster

Found 1 Document (0.771 seconds)

BMRB: 51342

8ATK

SH2 domain from mouse SH2B1

Authors

Fowler, N.J., Albalwi, M.F., Lee, S., Hounslow, A.M., Williamson, M.P.

Assembly

SH2

Entity

1. SH2 (polymer, Thiol state: all free), 119 monomers, 13663.38 Da Detail

MKIHHHHHHD QPLSGYPWFH GMLSRLKAAQ LVLEGGTGSH GVFLVRQSET RRGEYVLTFN FQGKAKHLRL SLNEEGQCRV QHLWFQSIFD MLEHFRVHPI PLESGGSSDV VLVSYVPSQ

Formula weight

13663.38 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 843, ¹³C: 541, ¹⁵N: 140 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	2	LYS	H	H	7.630	0.005	1
2	1	2	LYS	HA	H	4.390	0.005	1
3	1	2	LYS	HB2	H	1.720	0.005	2
4	1	2	LYS	HB3	H	1.730	0.005	2
5	1	2	LYS	HG2	H	1.350	0.005	2
6	1	2	LYS	HG3	H	1.350	0.005	2
7	1	2	LYS	HD2	H	1.690	0.005	2
8	1	2	LYS	HD3	H	1.690	0.005	2
9	1	2	LYS	HE2	H	2.980	0.005	2
10	1	2	LYS	HE3	H	2.990	0.005	2
11	1	2	LYS	C	C	175.640	0.050	1
12	1	2	LYS	CA	C	56.260	0.050	1
13	1	2	LYS	CB	C	33.210	0.050	1
14	1	2	LYS	CG	C	24.750	0.050	1
15	1	2	LYS	CD	C	29.070	0.050	1
16	1	2	LYS	CE	C	42.170	0.050	1
17	1	2	LYS	N	N	122.720	0.050	1
18	1	3	ILE	H	H	8.310	0.005	1
19	1	3	ILE	HA	H	4.090	0.005	1
20	1	3	ILE	HB	H	1.730	0.005	1
21	1	3	ILE	HG12	H	1.120	0.005	2
22	1	3	ILE	HG13	H	1.390	0.005	2
23	1	3	ILE	HG21	H	0.720	0.005	1
24	1	3	ILE	HG22	H	0.720	0.005	1
25	1	3	ILE	HG23	H	0.720	0.005	1
26	1	3	ILE	HD11	H	0.810	0.005	1
27	1	3	ILE	HD12	H	0.810	0.005	1
28	1	3	ILE	HD13	H	0.810	0.005	1
29	1	3	ILE	C	C	175.670	0.050	1
30	1	3	ILE	CA	C	60.700	0.050	1
31	1	3	ILE	CB	C	38.650	0.050	1
32	1	3	ILE	CG1	C	27.210	0.050	1
33	1	3	ILE	CG2	C	17.320	0.050	1
34	1	3	ILE	CD1	C	12.650	0.050	1
35	1	3	ILE	N	N	123.450	0.050	1
36	1	4	HIS	H	H	8.560	0.005	1
37	1	4	HIS	HA	H	4.640	0.005	1
38	1	4	HIS	HB2	H	3.040	0.005	2
39	1	4	HIS	HB3	H	3.120	0.005	2
40	1	4	HIS	HD1	H	7.140	0.005	1
41	1	4	HIS	HD2	H	7.120	0.005	1
42	1	4	HIS	HE1	H	8.220	0.005	1
43	1	4	HIS	C	C	177.610	0.050	1
44	1	4	HIS	CA	C	55.870	0.050	1
45	1	4	HIS	CB	C	29.910	0.050	1
46	1	4	HIS	CD2	C	120.200	0.050	1
47	1	4	HIS	CE1	C	137.720	0.050	1
48	1	4	HIS	N	N	124.020	0.050	1
49	1	4	HIS	ND1	N	194.630	0.050	1
50	1	5	HIS	H	H	8.420	0.005	1
51	1	5	HIS	HA	H	4.250	0.005	1
52	1	5	HIS	HB2	H	3.130	0.005	2
53	1	5	HIS	HB3	H	3.130	0.005	2
54	1	5	HIS	HD2	H	6.830	0.005	1
55	1	5	HIS	HE1	H	7.460	0.005	1
56	1	5	HIS	C	C	176.090	0.050	1
57	1	5	HIS	CA	C	56.220	0.050	1
58	1	5	HIS	CB	C	33.150	0.050	1
59	1	5	HIS	CD2	C	120.160	0.050	1
60	1	5	HIS	CE1	C	137.700	0.050	1
61	1	5	HIS	N	N	121.140	0.050	1
62	1	5	HIS	ND1	N	191.800	0.050	1
63	1	6	HIS	H	H	8.290	0.005	1
64	1	6	HIS	HA	H	5.370	0.005	1
65	1	6	HIS	HB2	H	2.270	0.005	2
66	1	6	HIS	HB3	H	2.420	0.005	2
67	1	6	HIS	HD2	H	7.090	0.005	1
68	1	6	HIS	HE1	H	7.390	0.005	1
69	1	6	HIS	C	C	176.170	0.050	1
70	1	6	HIS	CA	C	57.960	0.050	1
71	1	6	HIS	CB	C	30.020	0.050	1
72	1	6	HIS	CD2	C	120.430	0.050	1
73	1	6	HIS	CE1	C	137.170	0.050	1
74	1	6	HIS	N	N	120.030	0.050	1
75	1	6	HIS	ND1	N	189.350	0.050	1
76	1	7	HIS	H	H	8.980	0.005	1
77	1	7	HIS	HA	H	5.040	0.005	1
78	1	7	HIS	HB2	H	2.280	0.005	2
79	1	7	HIS	HB3	H	2.890	0.005	2
80	1	7	HIS	HD1	H	6.920	0.005	1
81	1	7	HIS	HD2	H	7.060	0.005	1
82	1	7	HIS	HE1	H	8.300	0.005	1
83	1	7	HIS	C	C	175.640	0.050	1
84	1	7	HIS	CA	C	56.260	0.050	1
85	1	7	HIS	CB	C	32.060	0.050	1
86	1	7	HIS	CD2	C	120.400	0.050	1
87	1	7	HIS	CE1	C	137.290	0.050	1
88	1	7	HIS	N	N	120.090	0.050	1
89	1	7	HIS	ND1	N	182.050	0.050	1
90	1	8	HIS	H	H	8.980	0.005	1
91	1	8	HIS	HA	H	4.390	0.005	1
92	1	8	HIS	HB2	H	2.180	0.005	2
93	1	8	HIS	HB3	H	3.130	0.005	2
94	1	8	HIS	HD1	H	6.920	0.005	1
95	1	8	HIS	HD2	H	7.130	0.005	1
96	1	8	HIS	HE1	H	8.300	0.005	1
97	1	8	HIS	C	C	175.660	0.050	1
98	1	8	HIS	CA	C	56.390	0.050	1
99	1	8	HIS	CB	C	29.620	0.050	1
100	1	8	HIS	CD2	C	120.220	0.050	1
101	1	8	HIS	CE1	C	137.270	0.050	1
102	1	8	HIS	N	N	123.020	0.050	1
103	1	8	HIS	ND1	N	182.050	0.050	1
104	1	9	HIS	H	H	8.550	0.005	1
105	1	9	HIS	HA	H	4.640	0.005	1
106	1	9	HIS	HB2	H	3.140	0.005	2
107	1	9	HIS	HB3	H	3.140	0.005	2
108	1	9	HIS	HD2	H	7.140	0.005	1
109	1	9	HIS	HE1	H	7.490	0.005	1
110	1	9	HIS	C	C	174.380	0.050	1
111	1	9	HIS	CA	C	55.320	0.050	1
112	1	9	HIS	CB	C	29.900	0.050	1
113	1	9	HIS	CD2	C	124.500	0.050	1
114	1	9	HIS	CE1	C	138.540	0.050	1
115	1	9	HIS	N	N	123.970	0.050	1
116	1	9	HIS	ND1	N	191.880	0.050	1
117	1	10	ASP	H	H	8.540	0.005	1
118	1	10	ASP	HA	H	4.620	0.005	1
119	1	10	ASP	HB2	H	2.700	0.005	2
120	1	10	ASP	HB3	H	2.700	0.005	2
121	1	10	ASP	C	C	175.750	0.050	1
122	1	10	ASP	CA	C	54.560	0.050	1
123	1	10	ASP	CB	C	41.060	0.050	1
124	1	10	ASP	N	N	121.020	0.050	1
125	1	11	GLN	H	H	8.280	0.005	1
126	1	11	GLN	HA	H	4.740	0.005	1
127	1	11	GLN	HB2	H	2.140	0.005	2
128	1	11	GLN	HB3	H	2.140	0.005	2
129	1	11	GLN	HG2	H	2.630	0.005	2
130	1	11	GLN	HG3	H	2.630	0.005	2
131	1	11	GLN	HE21	H	6.950	0.005	2
132	1	11	GLN	HE22	H	7.540	0.005	2
133	1	11	GLN	C	C	174.220	0.050	1
134	1	11	GLN	CA	C	53.350	0.050	1
135	1	11	GLN	CB	C	29.070	0.050	1
136	1	11	GLN	CG	C	33.780	0.050	1
137	1	11	GLN	N	N	120.190	0.050	1
138	1	11	GLN	NE2	N	112.240	0.050	1
139	1	12	PRO	HA	H	4.420	0.005	1
140	1	12	PRO	HB2	H	2.340	0.005	2
141	1	12	PRO	HB3	H	2.340	0.005	2
142	1	12	PRO	HG2	H	1.950	0.005	2
143	1	12	PRO	HG3	H	1.960	0.005	2
144	1	12	PRO	HD2	H	3.740	0.005	2
145	1	12	PRO	HD3	H	3.730	0.005	2
146	1	12	PRO	C	C	177.680	0.050	1
147	1	12	PRO	CA	C	64.080	0.050	1
148	1	12	PRO	CB	C	32.080	0.050	1
149	1	12	PRO	CG	C	27.550	0.050	1
150	1	12	PRO	CD	C	50.660	0.050	1
151	1	13	LEU	H	H	8.210	0.005	1
152	1	13	LEU	HA	H	4.250	0.005	1
153	1	13	LEU	HB2	H	0.360	0.005	2
154	1	13	LEU	HB3	H	0.560	0.005	2
155	1	13	LEU	HG	H	1.140	0.005	1
156	1	13	LEU	HD11	H	0.580	0.005	2
157	1	13	LEU	HD12	H	0.580	0.005	2
158	1	13	LEU	HD13	H	0.580	0.005	2
159	1	13	LEU	HD21	H	0.250	0.005	2
160	1	13	LEU	HD22	H	0.250	0.005	2
161	1	13	LEU	HD23	H	0.250	0.005	2
162	1	13	LEU	C	C	176.090	0.050	1
163	1	13	LEU	CA	C	55.180	0.050	1
164	1	13	LEU	CB	C	39.520	0.050	1
165	1	13	LEU	CG	C	26.930	0.050	1
166	1	13	LEU	CD1	C	23.110	0.050	1
167	1	13	LEU	CD2	C	25.710	0.050	1
168	1	13	LEU	N	N	118.570	0.050	1
169	1	14	SER	H	H	7.440	0.005	1
170	1	14	SER	HA	H	4.200	0.005	1
171	1	14	SER	HB2	H	3.950	0.005	2
172	1	14	SER	HB3	H	3.950	0.005	2
173	1	14	SER	C	C	175.340	0.050	1
174	1	14	SER	CA	C	60.410	0.050	1
175	1	14	SER	CB	C	63.110	0.050	1
176	1	14	SER	N	N	110.910	0.050	1
177	1	15	GLY	H	H	8.490	0.005	1
178	1	15	GLY	HA2	H	3.740	0.005	2
179	1	15	GLY	HA3	H	3.740	0.005	2
180	1	15	GLY	C	C	174.280	0.050	1
181	1	15	GLY	CA	C	44.930	0.050	1
182	1	15	GLY	N	N	110.800	0.050	1
183	1	16	TYR	H	H	7.420	0.005	1
184	1	16	TYR	HA	H	4.390	0.005	1
185	1	16	TYR	HB2	H	1.640	0.005	2
186	1	16	TYR	HB3	H	2.270	0.005	2
187	1	16	TYR	HD1	H	7.010	0.005	1
188	1	16	TYR	HD2	H	7.010	0.005	1
189	1	16	TYR	HE1	H	6.840	0.005	1
190	1	16	TYR	HE2	H	6.840	0.005	1
191	1	16	TYR	C	C	176.530	0.050	1
192	1	16	TYR	CA	C	56.360	0.050	1
193	1	16	TYR	CB	C	36.130	0.050	1
194	1	16	TYR	CD1	C	133.150	0.050	1
195	1	16	TYR	CD2	C	133.150	0.050	1
196	1	16	TYR	CE1	C	118.210	0.050	1
197	1	16	TYR	CE2	C	118.210	0.050	1
198	1	16	TYR	N	N	119.980	0.050	1
199	1	17	PRO	HA	H	4.380	0.005	1
200	1	17	PRO	HB2	H	2.070	0.005	2
201	1	17	PRO	HB3	H	2.300	0.005	2
202	1	17	PRO	HG2	H	1.760	0.005	2
203	1	17	PRO	HG3	H	2.280	0.005	2
204	1	17	PRO	HD2	H	3.530	0.005	2
205	1	17	PRO	HD3	H	3.800	0.005	2
206	1	17	PRO	C	C	172.430	0.050	1
207	1	17	PRO	CA	C	64.440	0.050	1
208	1	17	PRO	CB	C	33.950	0.050	1
209	1	17	PRO	CG	C	27.360	0.050	1
210	1	17	PRO	CD	C	50.710	0.050	1
211	1	18	TRP	H	H	5.570	0.005	1
212	1	18	TRP	HA	H	4.530	0.005	1
213	1	18	TRP	HB2	H	2.280	0.005	2
214	1	18	TRP	HB3	H	3.540	0.005	2
215	1	18	TRP	HD1	H	6.820	0.005	1
216	1	18	TRP	HE1	H	10.680	0.005	1
217	1	18	TRP	HE3	H	6.810	0.005	1
218	1	18	TRP	HZ2	H	6.730	0.005	1
219	1	18	TRP	HZ3	H	6.450	0.005	1
220	1	18	TRP	HH2	H	6.450	0.005	1
221	1	18	TRP	C	C	175.550	0.050	1
222	1	18	TRP	CA	C	52.910	0.050	1
223	1	18	TRP	CB	C	28.680	0.050	1
224	1	18	TRP	CD1	C	128.750	0.050	1
225	1	18	TRP	CE3	C	120.390	0.050	1
226	1	18	TRP	CZ2	C	115.580	0.050	1
227	1	18	TRP	CZ3	C	118.570	0.050	1
228	1	18	TRP	CH2	C	124.170	0.005	1
229	1	18	TRP	N	N	109.850	0.050	1
230	1	18	TRP	NE1	N	131.360	0.050	1
231	1	19	PHE	H	H	7.640	0.005	1
232	1	19	PHE	HA	H	5.640	0.005	1
233	1	19	PHE	HB2	H	2.660	0.005	2
234	1	19	PHE	HB3	H	3.050	0.005	2
235	1	19	PHE	HD1	H	7.230	0.005	1
236	1	19	PHE	HD2	H	7.230	0.005	1
237	1	19	PHE	HE1	H	7.230	0.005	1
238	1	19	PHE	HE2	H	7.230	0.005	1
239	1	19	PHE	HZ	H	7.420	0.005	1
240	1	19	PHE	C	C	175.860	0.050	1
241	1	19	PHE	CA	C	57.190	0.050	1
242	1	19	PHE	CB	C	39.850	0.050	1
243	1	19	PHE	CD1	C	133.160	0.050	1
244	1	19	PHE	CD2	C	133.160	0.050	1
245	1	19	PHE	CE1	C	133.230	0.050	1
246	1	19	PHE	CE2	C	133.230	0.050	1
247	1	19	PHE	CZ	C	130.940	0.050	1
248	1	19	PHE	N	N	122.740	0.050	1
249	1	20	HIS	H	H	8.910	0.005	1
250	1	20	HIS	HA	H	4.400	0.005	1
251	1	20	HIS	HB2	H	2.560	0.005	2
252	1	20	HIS	HB3	H	3.480	0.005	2
253	1	20	HIS	C	C	174.800	0.050	1
254	1	20	HIS	CA	C	56.260	0.050	1
255	1	20	HIS	CB	C	33.770	0.050	1
256	1	20	HIS	N	N	125.640	0.050	1
257	1	21	GLY	H	H	6.940	0.005	1
258	1	21	GLY	HA2	H	3.500	0.005	2
259	1	21	GLY	HA3	H	3.770	0.005	2
260	1	21	GLY	C	C	174.320	0.050	1
261	1	21	GLY	CA	C	47.210	0.050	1
262	1	21	GLY	N	N	112.040	0.050	1
263	1	22	MET	H	H	8.780	0.005	1
264	1	22	MET	HA	H	4.560	0.005	1
265	1	22	MET	HB2	H	1.910	0.005	2
266	1	22	MET	HB3	H	2.180	0.005	2
267	1	22	MET	HG2	H	2.520	0.005	2
268	1	22	MET	HG3	H	2.480	0.005	2
269	1	22	MET	HE1	H	2.080	0.005	1
270	1	22	MET	HE2	H	2.080	0.005	1
271	1	22	MET	HE3	H	2.080	0.005	1
272	1	22	MET	C	C	174.180	0.050	1
273	1	22	MET	CA	C	55.500	0.050	1
274	1	22	MET	CB	C	30.650	0.050	1
275	1	22	MET	CG	C	32.090	0.050	1
276	1	22	MET	CE	C	16.910	0.050	1
277	1	22	MET	N	N	127.030	0.050	1
278	1	23	LEU	H	H	7.490	0.005	1
279	1	23	LEU	HA	H	4.530	0.005	1
280	1	23	LEU	HB2	H	1.470	0.005	2
281	1	23	LEU	HB3	H	1.490	0.005	2
282	1	23	LEU	HG	H	1.790	0.005	1
283	1	23	LEU	HD11	H	1.050	0.005	2
284	1	23	LEU	HD12	H	1.050	0.005	2
285	1	23	LEU	HD13	H	1.050	0.005	2
286	1	23	LEU	HD21	H	0.800	0.005	2
287	1	23	LEU	HD22	H	0.800	0.005	2
288	1	23	LEU	HD23	H	0.800	0.005	2
289	1	23	LEU	C	C	175.340	0.050	1
290	1	23	LEU	CA	C	53.960	0.050	1
291	1	23	LEU	CB	C	45.350	0.050	1
292	1	23	LEU	CG	C	26.770	0.050	1
293	1	23	LEU	CD1	C	24.500	0.050	1
294	1	23	LEU	CD2	C	24.740	0.050	1
295	1	23	LEU	N	N	128.250	0.050	1
296	1	24	SER	H	H	8.400	0.005	1
297	1	24	SER	HA	H	4.300	0.005	1
298	1	24	SER	HB2	H	4.030	0.005	2
299	1	24	SER	HB3	H	4.350	0.005	2
300	1	24	SER	C	C	173.810	0.050	1
301	1	24	SER	CA	C	57.750	0.050	1
302	1	24	SER	CB	C	64.800	0.050	1
303	1	24	SER	N	N	121.980	0.050	1
304	1	25	ARG	H	H	9.040	0.005	1
305	1	25	ARG	HA	H	3.570	0.005	1
306	1	25	ARG	HB2	H	1.640	0.005	2
307	1	25	ARG	HB3	H	2.010	0.005	2
308	1	25	ARG	HG2	H	0.350	0.005	2
309	1	25	ARG	HG3	H	1.140	0.005	2
310	1	25	ARG	HE	H	7.760	0.005	1
311	1	25	ARG	C	C	177.960	0.050	1
312	1	25	ARG	CA	C	60.150	0.050	1
313	1	25	ARG	CB	C	30.780	0.050	1
314	1	25	ARG	CG	C	27.170	0.050	1
315	1	25	ARG	N	N	124.010	0.050	1
316	1	25	ARG	NE	N	85.000	0.050	1
317	1	26	LEU	H	H	8.110	0.005	1
318	1	26	LEU	HA	H	4.140	0.005	1
319	1	26	LEU	HB2	H	1.560	0.005	2
320	1	26	LEU	HB3	H	1.660	0.005	2
321	1	26	LEU	HG	H	1.630	0.005	1
322	1	26	LEU	HD11	H	0.910	0.005	2
323	1	26	LEU	HD12	H	0.910	0.005	2
324	1	26	LEU	HD13	H	0.910	0.005	2
325	1	26	LEU	HD21	H	0.940	0.005	2
326	1	26	LEU	HD22	H	0.940	0.005	2
327	1	26	LEU	HD23	H	0.940	0.005	2
328	1	26	LEU	C	C	179.720	0.050	1
329	1	26	LEU	CA	C	57.850	0.050	1
330	1	26	LEU	CB	C	42.080	0.050	1
331	1	26	LEU	CG	C	27.070	0.050	1
332	1	26	LEU	CD1	C	24.290	0.050	1
333	1	26	LEU	CD2	C	24.560	0.050	1
334	1	26	LEU	N	N	116.550	0.050	1
335	1	27	LYS	H	H	7.720	0.005	1
336	1	27	LYS	HA	H	4.120	0.005	1
337	1	27	LYS	HB2	H	1.830	0.005	2
338	1	27	LYS	HB3	H	1.840	0.005	2
339	1	27	LYS	HG2	H	1.470	0.005	2
340	1	27	LYS	HG3	H	1.470	0.005	2
341	1	27	LYS	HD2	H	1.820	0.005	2
342	1	27	LYS	HD3	H	1.840	0.005	2
343	1	27	LYS	C	C	178.640	0.050	1
344	1	27	LYS	CA	C	58.430	0.050	1
345	1	27	LYS	CB	C	31.850	0.050	1
346	1	27	LYS	CG	C	25.750	0.050	1
347	1	27	LYS	CD	C	28.860	0.050	1
348	1	27	LYS	N	N	120.360	0.050	1
349	1	28	ALA	H	H	8.690	0.005	1
350	1	28	ALA	HA	H	3.900	0.005	1
351	1	28	ALA	HB1	H	1.510	0.005	1
352	1	28	ALA	HB2	H	1.510	0.005	1
353	1	28	ALA	HB3	H	1.510	0.005	1
354	1	28	ALA	C	C	178.670	0.050	1
355	1	28	ALA	CA	C	55.080	0.050	1
356	1	28	ALA	CB	C	19.900	0.050	1
357	1	28	ALA	N	N	120.800	0.050	1
358	1	29	ALA	H	H	8.200	0.005	1
359	1	29	ALA	HA	H	3.850	0.005	1
360	1	29	ALA	HB1	H	1.510	0.005	1
361	1	29	ALA	HB2	H	1.510	0.005	1
362	1	29	ALA	HB3	H	1.510	0.005	1
363	1	29	ALA	C	C	177.930	0.050	1
364	1	29	ALA	CA	C	54.840	0.050	1
365	1	29	ALA	CB	C	18.510	0.050	1
366	1	29	ALA	N	N	117.510	0.050	1
367	1	30	GLN	H	H	7.650	0.005	1
368	1	30	GLN	HA	H	3.850	0.005	1
369	1	30	GLN	HB2	H	2.250	0.005	2
370	1	30	GLN	HB3	H	2.260	0.005	2
371	1	30	GLN	HG2	H	2.380	0.005	2
372	1	30	GLN	HG3	H	2.620	0.005	2
373	1	30	GLN	HE21	H	6.830	0.005	2
374	1	30	GLN	HE22	H	7.740	0.005	2
375	1	30	GLN	C	C	179.500	0.050	1
376	1	30	GLN	CA	C	59.170	0.050	1
377	1	30	GLN	CB	C	28.040	0.050	1
378	1	30	GLN	CG	C	33.910	0.050	1
379	1	30	GLN	N	N	114.880	0.050	1
380	1	30	GLN	NE2	N	112.210	0.050	1
381	1	31	LEU	H	H	7.960	0.005	1
382	1	31	LEU	HA	H	4.160	0.005	1
383	1	31	LEU	HB2	H	1.260	0.005	2
384	1	31	LEU	HB3	H	1.910	0.005	2
385	1	31	LEU	HG	H	0.830	0.005	1
386	1	31	LEU	HD11	H	1.920	0.005	2
387	1	31	LEU	HD12	H	1.920	0.005	2
388	1	31	LEU	HD13	H	1.920	0.005	2
389	1	31	LEU	HD21	H	0.240	0.005	2
390	1	31	LEU	HD22	H	0.240	0.005	2
391	1	31	LEU	HD23	H	0.240	0.005	2
392	1	31	LEU	C	C	180.480	0.050	1
393	1	31	LEU	CA	C	58.060	0.050	1
394	1	31	LEU	CB	C	42.210	0.050	1
395	1	31	LEU	CG	C	26.580	0.050	1
396	1	31	LEU	CD1	C	28.170	0.050	1
397	1	31	LEU	CD2	C	26.630	0.050	1
398	1	31	LEU	N	N	116.890	0.050	1
399	1	32	VAL	H	H	7.600	0.005	1
400	1	32	VAL	HA	H	4.170	0.005	1
401	1	32	VAL	HB	H	2.340	0.005	1
402	1	32	VAL	HG11	H	0.760	0.005	2
403	1	32	VAL	HG12	H	0.760	0.005	2
404	1	32	VAL	HG13	H	0.760	0.005	2
405	1	32	VAL	HG21	H	0.890	0.005	2
406	1	32	VAL	HG22	H	0.890	0.005	2
407	1	32	VAL	HG23	H	0.890	0.005	2
408	1	32	VAL	C	C	176.480	0.050	1
409	1	32	VAL	CA	C	63.500	0.050	1
410	1	32	VAL	CB	C	31.070	0.050	1
411	1	32	VAL	CG1	C	18.460	0.050	1
412	1	32	VAL	CG2	C	21.110	0.050	1
413	1	32	VAL	N	N	109.050	0.050	1
414	1	33	LEU	H	H	7.670	0.005	1
415	1	33	LEU	HA	H	4.160	0.005	1
416	1	33	LEU	HB2	H	1.500	0.005	2
417	1	33	LEU	HB3	H	1.820	0.005	2
418	1	33	LEU	HG	H	1.830	0.005	1
419	1	33	LEU	HD11	H	0.490	0.005	2
420	1	33	LEU	HD12	H	0.490	0.005	2
421	1	33	LEU	HD13	H	0.490	0.005	2
422	1	33	LEU	HD21	H	0.790	0.005	2
423	1	33	LEU	HD22	H	0.790	0.005	2
424	1	33	LEU	HD23	H	0.790	0.005	2
425	1	33	LEU	C	C	178.710	0.050	1
426	1	33	LEU	CA	C	55.070	0.050	1
427	1	33	LEU	CB	C	41.650	0.050	1
428	1	33	LEU	CG	C	26.380	0.050	1
429	1	33	LEU	CD1	C	21.760	0.050	1
430	1	33	LEU	CD2	C	24.830	0.050	1
431	1	33	LEU	N	N	118.260	0.050	1
432	1	34	GLU	H	H	7.130	0.005	1
433	1	34	GLU	HA	H	4.120	0.005	1
434	1	34	GLU	HB2	H	2.080	0.005	2
435	1	34	GLU	HB3	H	2.110	0.005	2
436	1	34	GLU	HG2	H	2.370	0.005	2
437	1	34	GLU	HG3	H	2.370	0.005	2
438	1	34	GLU	C	C	177.690	0.050	1
439	1	34	GLU	CA	C	58.970	0.050	1
440	1	34	GLU	CB	C	29.080	0.050	1
441	1	34	GLU	CG	C	35.770	0.050	1
442	1	34	GLU	N	N	123.350	0.050	1
443	1	35	GLY	H	H	8.950	0.005	1
444	1	35	GLY	HA2	H	3.810	0.005	2
445	1	35	GLY	HA3	H	4.130	0.005	2
446	1	35	GLY	C	C	175.450	0.050	1
447	1	35	GLY	CA	C	44.960	0.050	1
448	1	35	GLY	N	N	112.790	0.050	1
449	1	36	GLY	H	H	8.440	0.005	1
450	1	36	GLY	HA2	H	3.940	0.005	2
451	1	36	GLY	HA3	H	4.180	0.005	2
452	1	36	GLY	C	C	177.250	0.050	1
453	1	36	GLY	CA	C	46.160	0.050	1
454	1	36	GLY	N	N	109.460	0.050	1
455	1	37	THR	H	H	9.090	0.005	1
456	1	37	THR	HA	H	3.700	0.005	1
457	1	37	THR	HB	H	4.210	0.005	1
458	1	37	THR	HG21	H	1.190	0.005	1
459	1	37	THR	HG22	H	1.190	0.005	1
460	1	37	THR	HG23	H	1.190	0.005	1
461	1	37	THR	C	C	176.940	0.050	1
462	1	37	THR	CA	C	65.110	0.050	1
463	1	37	THR	CB	C	68.240	0.050	1
464	1	37	THR	CG2	C	22.190	0.050	1
465	1	37	THR	N	N	119.730	0.050	1
466	1	38	GLY	H	H	8.430	0.005	1
467	1	38	GLY	HA2	H	3.930	0.005	2
468	1	38	GLY	HA3	H	4.060	0.005	2
469	1	38	GLY	C	C	175.010	0.050	1
470	1	38	GLY	CA	C	46.190	0.050	1
471	1	38	GLY	N	N	109.760	0.050	1
472	1	39	SER	H	H	7.310	0.005	1
473	1	39	SER	HA	H	4.620	0.005	1
474	1	39	SER	HB2	H	3.100	0.005	2
475	1	39	SER	HB3	H	3.100	0.005	2
476	1	39	SER	C	C	171.790	0.050	1
477	1	39	SER	CA	C	57.260	0.050	1
478	1	39	SER	CB	C	64.180	0.050	1
479	1	39	SER	N	N	116.310	0.050	1
480	1	40	HIS	H	H	7.120	0.005	1
481	1	40	HIS	HA	H	4.400	0.005	1
482	1	40	HIS	HB2	H	3.100	0.005	2
483	1	40	HIS	HB3	H	3.100	0.005	2
484	1	40	HIS	HD2	H	7.120	0.005	1
485	1	40	HIS	HE1	H	8.300	0.005	1
486	1	40	HIS	C	C	176.830	0.050	1
487	1	40	HIS	CA	C	58.020	0.050	1
488	1	40	HIS	CB	C	31.340	0.050	1
489	1	40	HIS	CD2	C	120.040	0.050	1
490	1	40	HIS	CE1	C	137.250	0.050	1
491	1	40	HIS	N	N	121.220	0.050	1
492	1	41	GLY	H	H	9.580	0.005	1
493	1	41	GLY	HA2	H	3.520	0.005	2
494	1	41	GLY	HA3	H	4.570	0.005	2
495	1	41	GLY	C	C	174.740	0.050	1
496	1	41	GLY	CA	C	45.870	0.050	1
497	1	41	GLY	N	N	116.090	0.050	1
498	1	42	VAL	H	H	8.470	0.005	1
499	1	42	VAL	HA	H	5.180	0.005	1
500	1	42	VAL	HB	H	2.370	0.005	1
501	1	42	VAL	HG11	H	1.010	0.005	2
502	1	42	VAL	HG12	H	1.010	0.005	2
503	1	42	VAL	HG13	H	1.010	0.005	2
504	1	42	VAL	HG21	H	1.020	0.005	2
505	1	42	VAL	HG22	H	1.020	0.005	2
506	1	42	VAL	HG23	H	1.020	0.005	2
507	1	42	VAL	C	C	176.370	0.050	1
508	1	42	VAL	CA	C	62.800	0.050	1
509	1	42	VAL	CB	C	31.520	0.050	1
510	1	42	VAL	CG1	C	22.720	0.050	1
511	1	42	VAL	CG2	C	22.720	0.050	1
512	1	42	VAL	N	N	123.350	0.050	1
513	1	43	PHE	H	H	8.480	0.005	1
514	1	43	PHE	HA	H	6.250	0.005	1
515	1	43	PHE	HB2	H	2.880	0.005	2
516	1	43	PHE	HB3	H	3.240	0.005	2
517	1	43	PHE	C	C	172.670	0.050	1
518	1	43	PHE	CA	C	55.640	0.050	1
519	1	43	PHE	CB	C	45.830	0.050	1
520	1	43	PHE	N	N	121.350	0.050	1
521	1	44	LEU	H	H	9.380	0.005	1
522	1	44	LEU	HA	H	4.750	0.005	1
523	1	44	LEU	HB2	H	1.980	0.005	2
524	1	44	LEU	HB3	H	1.710	0.005	2
525	1	44	LEU	HG	H	1.620	0.005	1
526	1	44	LEU	HD11	H	0.240	0.005	2
527	1	44	LEU	HD12	H	0.240	0.005	2
528	1	44	LEU	HD13	H	0.240	0.005	2
529	1	44	LEU	HD21	H	0.750	0.005	2
530	1	44	LEU	HD22	H	0.750	0.005	2
531	1	44	LEU	HD23	H	0.750	0.005	2
532	1	44	LEU	C	C	174.860	0.050	1
533	1	44	LEU	CA	C	55.560	0.050	1
534	1	44	LEU	CB	C	44.540	0.050	1
535	1	44	LEU	CG	C	24.930	0.050	1
536	1	44	LEU	CD1	C	28.150	0.050	1
537	1	44	LEU	CD2	C	25.130	0.050	1
538	1	44	LEU	N	N	113.380	0.050	1
539	1	45	VAL	H	H	9.190	0.005	1
540	1	45	VAL	HA	H	5.660	0.005	1
541	1	45	VAL	HB	H	2.630	0.005	1
542	1	45	VAL	HG11	H	1.400	0.005	2
543	1	45	VAL	HG12	H	1.400	0.005	2
544	1	45	VAL	HG13	H	1.400	0.005	2
545	1	45	VAL	HG21	H	1.110	0.005	2
546	1	45	VAL	HG22	H	1.110	0.005	2
547	1	45	VAL	HG23	H	1.110	0.005	2
548	1	45	VAL	C	C	173.330	0.050	1
549	1	45	VAL	CA	C	61.250	0.050	1
550	1	45	VAL	CB	C	34.380	0.050	1
551	1	45	VAL	CG1	C	21.990	0.050	1
552	1	45	VAL	CG2	C	22.700	0.050	1
553	1	45	VAL	N	N	119.820	0.050	1
554	1	46	ARG	H	H	9.480	0.005	1
555	1	46	ARG	HA	H	5.160	0.005	1
556	1	46	ARG	HB2	H	1.400	0.005	2
557	1	46	ARG	HB3	H	1.350	0.005	2
558	1	46	ARG	HG2	H	0.740	0.005	2
559	1	46	ARG	HG3	H	0.730	0.005	2
560	1	46	ARG	HD2	H	2.870	0.005	2
561	1	46	ARG	HD3	H	2.690	0.005	2
562	1	46	ARG	HE	H	7.000	0.005	1
563	1	46	ARG	C	C	173.280	0.050	1
564	1	46	ARG	CA	C	53.360	0.050	1
565	1	46	ARG	CB	C	34.240	0.050	1
566	1	46	ARG	CG	C	26.800	0.050	1
567	1	46	ARG	CD	C	43.200	0.050	1
568	1	46	ARG	N	N	123.880	0.050	1
569	1	46	ARG	NE	N	84.580	0.050	1
570	1	47	GLN	H	H	8.810	0.005	1
571	1	47	GLN	HA	H	4.560	0.005	1
572	1	47	GLN	HB2	H	1.920	0.005	2
573	1	47	GLN	HB3	H	2.170	0.005	2
574	1	47	GLN	HG2	H	2.200	0.005	2
575	1	47	GLN	HG3	H	2.480	0.005	2
576	1	47	GLN	HE21	H	7.340	0.005	2
577	1	47	GLN	HE22	H	6.910	0.005	2
578	1	47	GLN	C	C	175.180	0.050	1
579	1	47	GLN	CA	C	56.240	0.050	1
580	1	47	GLN	CB	C	31.140	0.050	1
581	1	47	GLN	CG	C	36.180	0.050	1
582	1	47	GLN	N	N	120.600	0.050	1
583	1	47	GLN	NE2	N	109.950	0.050	1
584	1	48	SER	H	H	7.750	0.005	1
585	1	48	SER	HA	H	4.490	0.005	1
586	1	48	SER	HB2	H	3.850	0.005	2
587	1	48	SER	HB3	H	3.650	0.005	2
588	1	48	SER	C	C	176.060	0.050	1
589	1	48	SER	CA	C	57.390	0.050	1
590	1	48	SER	CB	C	63.680	0.050	1
591	1	48	SER	N	N	114.910	0.050	1
592	1	49	GLU	H	H	10.460	0.005	1
593	1	49	GLU	HA	H	4.300	0.005	1
594	1	49	GLU	HB2	H	2.130	0.005	2
595	1	49	GLU	HB3	H	2.160	0.005	2
596	1	49	GLU	HG2	H	2.150	0.005	2
597	1	49	GLU	HG3	H	2.400	0.005	2
598	1	49	GLU	C	C	177.970	0.050	1
599	1	49	GLU	CA	C	57.930	0.050	1
600	1	49	GLU	CB	C	31.290	0.050	1
601	1	49	GLU	CG	C	36.880	0.050	1
602	1	49	GLU	N	N	129.080	0.050	1
603	1	50	THR	H	H	8.150	0.005	1
604	1	50	THR	HA	H	4.300	0.005	1
605	1	50	THR	HB	H	4.120	0.005	1
606	1	50	THR	HG21	H	1.250	0.005	1
607	1	50	THR	HG22	H	1.250	0.005	1
608	1	50	THR	HG23	H	1.250	0.005	1
609	1	50	THR	C	C	175.280	0.050	1
610	1	50	THR	CA	C	63.230	0.050	1
611	1	50	THR	CB	C	70.340	0.050	1
612	1	50	THR	CG2	C	22.160	0.050	1
613	1	50	THR	N	N	109.690	0.050	1
614	1	51	ARG	H	H	8.180	0.005	1
615	1	51	ARG	HA	H	4.540	0.005	1
616	1	51	ARG	HB2	H	1.520	0.005	2
617	1	51	ARG	HB3	H	1.690	0.005	2
618	1	51	ARG	HG2	H	1.500	0.005	2
619	1	51	ARG	HG3	H	1.510	0.005	2
620	1	51	ARG	HD2	H	3.130	0.005	2
621	1	51	ARG	HD3	H	3.130	0.005	2
622	1	51	ARG	HE	H	7.430	0.005	1
623	1	51	ARG	C	C	174.950	0.050	1
624	1	51	ARG	CA	C	54.560	0.050	1
625	1	51	ARG	CB	C	29.480	0.050	1
626	1	51	ARG	CG	C	26.870	0.050	1
627	1	51	ARG	CD	C	43.270	0.050	1
628	1	51	ARG	N	N	124.860	0.050	1
629	1	51	ARG	NE	N	85.020	0.050	1
630	1	52	ARG	H	H	8.290	0.005	1
631	1	52	ARG	HA	H	4.090	0.005	1
632	1	52	ARG	HB2	H	1.800	0.005	2
633	1	52	ARG	HB3	H	1.800	0.005	2
634	1	52	ARG	HG2	H	1.710	0.005	2
635	1	52	ARG	HG3	H	1.710	0.005	2
636	1	52	ARG	HD2	H	3.240	0.005	2
637	1	52	ARG	HD3	H	3.240	0.005	2
638	1	52	ARG	HE	H	7.860	0.005	1
639	1	52	ARG	C	C	178.030	0.050	1
640	1	52	ARG	CA	C	57.950	0.050	1
641	1	52	ARG	CB	C	29.540	0.050	1
642	1	52	ARG	CG	C	27.000	0.050	1
643	1	52	ARG	CD	C	43.240	0.050	1
644	1	52	ARG	N	N	123.370	0.050	1
645	1	52	ARG	NE	N	84.350	0.050	1
646	1	53	GLY	H	H	8.850	0.005	1
647	1	53	GLY	HA2	H	3.790	0.005	2
648	1	53	GLY	HA3	H	4.280	0.005	2
649	1	53	GLY	C	C	173.880	0.050	1
650	1	53	GLY	CA	C	45.420	0.050	1
651	1	53	GLY	N	N	113.030	0.050	1
652	1	54	GLU	H	H	7.820	0.005	1
653	1	54	GLU	HA	H	4.850	0.005	1
654	1	54	GLU	HB2	H	2.070	0.005	2
655	1	54	GLU	HB3	H	2.470	0.005	2
656	1	54	GLU	HG2	H	2.280	0.005	2
657	1	54	GLU	HG3	H	2.380	0.005	2
658	1	54	GLU	C	C	175.830	0.050	1
659	1	54	GLU	CA	C	55.600	0.050	1
660	1	54	GLU	CB	C	31.760	0.050	1
661	1	54	GLU	CG	C	36.970	0.050	1
662	1	54	GLU	N	N	118.550	0.050	1
663	1	55	TYR	H	H	8.770	0.005	1
664	1	55	TYR	HA	H	5.330	0.005	1
665	1	55	TYR	HB2	H	2.780	0.005	2
666	1	55	TYR	HB3	H	3.140	0.005	2
667	1	55	TYR	HD1	H	7.060	0.005	1
668	1	55	TYR	HD2	H	7.060	0.005	1
669	1	55	TYR	HE1	H	6.840	0.005	1
670	1	55	TYR	HE2	H	6.840	0.005	1
671	1	55	TYR	C	C	174.520	0.050	1
672	1	55	TYR	CA	C	56.910	0.050	1
673	1	55	TYR	CB	C	42.200	0.050	1
674	1	55	TYR	CD1	C	132.540	0.050	1
675	1	55	TYR	CD2	C	132.540	0.050	1
676	1	55	TYR	CE1	C	118.300	0.050	1
677	1	55	TYR	CE2	C	118.300	0.050	1
678	1	55	TYR	N	N	119.790	0.050	1
679	1	56	VAL	H	H	9.640	0.005	1
680	1	56	VAL	HA	H	4.870	0.005	1
681	1	56	VAL	HB	H	1.790	0.005	1
682	1	56	VAL	HG11	H	0.970	0.005	2
683	1	56	VAL	HG12	H	0.970	0.005	2
684	1	56	VAL	HG13	H	0.970	0.005	2
685	1	56	VAL	HG21	H	1.090	0.005	2
686	1	56	VAL	HG22	H	1.090	0.005	2
687	1	56	VAL	HG23	H	1.090	0.005	2
688	1	56	VAL	C	C	174.160	0.050	1
689	1	56	VAL	CA	C	61.580	0.050	1
690	1	56	VAL	CB	C	36.560	0.050	1
691	1	56	VAL	CG1	C	21.710	0.050	1
692	1	56	VAL	CG2	C	23.110	0.050	1
693	1	56	VAL	N	N	121.150	0.050	1
694	1	57	LEU	H	H	9.370	0.005	1
695	1	57	LEU	HA	H	5.260	0.005	1
696	1	57	LEU	HB2	H	1.300	0.005	2
697	1	57	LEU	HB3	H	2.170	0.005	2
698	1	57	LEU	HG	H	1.610	0.005	1
699	1	57	LEU	HD11	H	0.700	0.005	2
700	1	57	LEU	HD12	H	0.700	0.005	2
701	1	57	LEU	HD13	H	0.700	0.005	2
702	1	57	LEU	HD21	H	0.620	0.005	2
703	1	57	LEU	HD22	H	0.620	0.005	2
704	1	57	LEU	HD23	H	0.620	0.005	2
705	1	57	LEU	C	C	174.970	0.050	1
706	1	57	LEU	CA	C	53.830	0.050	1
707	1	57	LEU	CB	C	44.610	0.050	1
708	1	57	LEU	CG	C	28.170	0.050	1
709	1	57	LEU	CD1	C	25.560	0.050	1
710	1	57	LEU	CD2	C	25.870	0.050	1
711	1	57	LEU	N	N	129.420	0.050	1
712	1	58	THR	H	H	9.080	0.005	1
713	1	58	THR	HA	H	5.560	0.005	1
714	1	58	THR	HB	H	3.660	0.005	1
715	1	58	THR	HG21	H	0.970	0.005	1
716	1	58	THR	HG22	H	0.970	0.005	1
717	1	58	THR	HG23	H	0.970	0.005	1
718	1	58	THR	C	C	173.520	0.050	1
719	1	58	THR	CA	C	62.780	0.050	1
720	1	58	THR	CB	C	71.790	0.050	1
721	1	58	THR	CG2	C	22.690	0.050	1
722	1	58	THR	N	N	128.440	0.050	1
723	1	59	PHE	H	H	8.940	0.005	1
724	1	59	PHE	HA	H	5.880	0.005	1
725	1	59	PHE	HB2	H	2.840	0.005	2
726	1	59	PHE	HB3	H	2.860	0.005	2
727	1	59	PHE	HD1	H	6.850	0.005	1
728	1	59	PHE	HD2	H	6.850	0.005	1
729	1	59	PHE	HE1	H	6.850	0.005	1
730	1	59	PHE	HE2	H	6.850	0.005	1
731	1	59	PHE	HZ	H	6.850	0.005	1
732	1	59	PHE	C	C	171.850	0.050	1
733	1	59	PHE	CA	C	55.320	0.050	1
734	1	59	PHE	CB	C	42.360	0.050	1
735	1	59	PHE	CD1	C	132.090	0.050	1
736	1	59	PHE	CD2	C	132.090	0.050	1
737	1	59	PHE	CE1	C	132.110	0.050	1
738	1	59	PHE	CE2	C	132.110	0.050	1
739	1	59	PHE	CZ	C	128.920	0.050	1
740	1	59	PHE	N	N	121.050	0.050	1
741	1	60	ASN	H	H	8.460	0.005	1
742	1	60	ASN	HA	H	4.430	0.005	1
743	1	60	ASN	HB2	H	2.400	0.005	2
744	1	60	ASN	HB3	H	3.460	0.005	2
745	1	60	ASN	HD21	H	7.450	0.005	2
746	1	60	ASN	HD22	H	6.900	0.005	2
747	1	60	ASN	C	C	174.110	0.050	1
748	1	60	ASN	CA	C	52.000	0.050	1
749	1	60	ASN	CB	C	39.040	0.050	1
750	1	60	ASN	N	N	119.470	0.050	1
751	1	60	ASN	ND2	N	110.720	0.050	1
752	1	61	PHE	H	H	9.300	0.005	1
753	1	61	PHE	HA	H	5.210	0.005	1
754	1	61	PHE	HB2	H	2.690	0.005	2
755	1	61	PHE	HB3	H	3.020	0.005	2
756	1	61	PHE	HD1	H	7.170	0.005	1
757	1	61	PHE	HD2	H	7.170	0.005	1
758	1	61	PHE	HE1	H	6.930	0.005	1
759	1	61	PHE	HE2	H	6.930	0.005	1
760	1	61	PHE	C	C	174.160	0.050	1
761	1	61	PHE	CA	C	55.480	0.050	1
762	1	61	PHE	CB	C	40.820	0.050	1
763	1	61	PHE	CD1	C	128.610	0.050	1
764	1	61	PHE	CD2	C	128.610	0.050	1
765	1	61	PHE	CE1	C	128.590	0.050	1
766	1	61	PHE	CE2	C	128.590	0.050	1
767	1	61	PHE	N	N	128.710	0.050	1
768	1	62	GLN	H	H	11.410	0.005	1
769	1	62	GLN	HA	H	3.570	0.005	1
770	1	62	GLN	HB2	H	1.590	0.005	2
771	1	62	GLN	HB3	H	1.980	0.005	2
772	1	62	GLN	HG2	H	1.530	0.005	2
773	1	62	GLN	HG3	H	1.720	0.005	2
774	1	62	GLN	HE21	H	6.940	0.005	2
775	1	62	GLN	HE22	H	6.580	0.005	2
776	1	62	GLN	C	C	175.790	0.050	1
777	1	62	GLN	CA	C	56.070	0.050	1
778	1	62	GLN	CB	C	26.560	0.050	1
779	1	62	GLN	CG	C	32.860	0.050	1
780	1	62	GLN	N	N	127.580	0.050	1
781	1	62	GLN	NE2	N	110.590	0.050	1
782	1	63	GLY	H	H	9.050	0.005	1
783	1	63	GLY	HA2	H	3.180	0.005	2
784	1	63	GLY	HA3	H	4.090	0.005	2
785	1	63	GLY	C	C	172.730	0.050	1
786	1	63	GLY	CA	C	45.430	0.050	1
787	1	63	GLY	N	N	103.800	0.050	1
788	1	64	LYS	H	H	7.910	0.005	1
789	1	64	LYS	HA	H	4.530	0.005	1
790	1	64	LYS	HB2	H	1.830	0.005	2
791	1	64	LYS	HB3	H	1.840	0.005	2
792	1	64	LYS	HG2	H	1.710	0.005	2
793	1	64	LYS	HG3	H	1.450	0.005	2
794	1	64	LYS	HD2	H	1.440	0.005	2
795	1	64	LYS	HD3	H	1.720	0.005	2
796	1	64	LYS	C	C	174.590	0.050	1
797	1	64	LYS	CA	C	54.480	0.050	1
798	1	64	LYS	CB	C	34.510	0.050	1
799	1	64	LYS	CG	C	25.320	0.050	1
800	1	64	LYS	CD	C	28.930	0.050	1
801	1	64	LYS	N	N	120.380	0.050	1
802	1	65	ALA	H	H	8.770	0.005	1
803	1	65	ALA	HA	H	4.470	0.005	1
804	1	65	ALA	HB1	H	1.030	0.005	1
805	1	65	ALA	HB2	H	1.030	0.005	1
806	1	65	ALA	HB3	H	1.030	0.005	1
807	1	65	ALA	C	C	176.310	0.050	1
808	1	65	ALA	CA	C	51.470	0.050	1
809	1	65	ALA	CB	C	19.150	0.050	1
810	1	65	ALA	N	N	124.440	0.050	1
811	1	66	LYS	H	H	8.550	0.005	1
812	1	66	LYS	HA	H	4.330	0.005	1
813	1	66	LYS	HB2	H	0.290	0.005	2
814	1	66	LYS	HB3	H	0.980	0.005	2
815	1	66	LYS	HG2	H	0.990	0.005	2
816	1	66	LYS	HG3	H	1.020	0.005	2
817	1	66	LYS	HD2	H	1.460	0.005	2
818	1	66	LYS	HD3	H	1.620	0.005	2
819	1	66	LYS	C	C	173.760	0.050	1
820	1	66	LYS	CA	C	52.900	0.050	1
821	1	66	LYS	CB	C	34.730	0.050	1
822	1	66	LYS	CG	C	25.120	0.050	1
823	1	66	LYS	CD	C	28.370	0.050	1
824	1	66	LYS	N	N	123.260	0.050	1
825	1	67	HIS	H	H	8.300	0.005	1
826	1	67	HIS	HA	H	5.140	0.005	1
827	1	67	HIS	HB2	H	2.690	0.005	2
828	1	67	HIS	HB3	H	2.860	0.005	2
829	1	67	HIS	HD2	H	6.970	0.005	1
830	1	67	HIS	HE1	H	8.320	0.005	1
831	1	67	HIS	C	C	175.000	0.050	1
832	1	67	HIS	CA	C	54.740	0.050	1
833	1	67	HIS	CB	C	32.800	0.050	1
834	1	67	HIS	CD2	C	120.250	0.050	1
835	1	67	HIS	CE1	C	137.330	0.050	1
836	1	67	HIS	N	N	118.650	0.050	1
837	1	68	LEU	H	H	9.540	0.005	1
838	1	68	LEU	HA	H	4.860	0.005	1
839	1	68	LEU	HB2	H	1.710	0.005	2
840	1	68	LEU	HB3	H	1.840	0.005	2
841	1	68	LEU	HG	H	0.810	0.005	1
842	1	68	LEU	HD11	H	0.820	0.005	2
843	1	68	LEU	HD12	H	0.820	0.005	2
844	1	68	LEU	HD13	H	0.820	0.005	2
845	1	68	LEU	HD21	H	0.810	0.005	2
846	1	68	LEU	HD22	H	0.810	0.005	2
847	1	68	LEU	HD23	H	0.810	0.005	2
848	1	68	LEU	C	C	175.350	0.050	1
849	1	68	LEU	CA	C	53.510	0.050	1
850	1	68	LEU	CB	C	44.760	0.050	1
851	1	68	LEU	CG	C	24.700	0.050	1
852	1	68	LEU	CD1	C	24.700	0.050	1
853	1	68	LEU	CD2	C	24.760	0.050	1
854	1	68	LEU	N	N	127.300	0.050	1
855	1	69	ARG	H	H	8.830	0.005	1
856	1	69	ARG	HA	H	4.510	0.005	1
857	1	69	ARG	HB2	H	1.840	0.005	2
858	1	69	ARG	HB3	H	1.940	0.005	2
859	1	69	ARG	HG2	H	1.940	0.005	2
860	1	69	ARG	HG3	H	1.940	0.005	2
861	1	69	ARG	HD2	H	3.140	0.005	2
862	1	69	ARG	HD3	H	3.260	0.005	2
863	1	69	ARG	HE	H	7.580	0.005	1
864	1	69	ARG	C	C	175.440	0.050	1
865	1	69	ARG	CA	C	58.100	0.050	1
866	1	69	ARG	CB	C	30.680	0.050	1
867	1	69	ARG	CG	C	27.620	0.050	1
868	1	69	ARG	CD	C	43.420	0.050	1
869	1	69	ARG	N	N	125.470	0.050	1
870	1	69	ARG	NE	N	84.580	0.050	1
871	1	70	LEU	H	H	8.640	0.005	1
872	1	70	LEU	HA	H	5.070	0.005	1
873	1	70	LEU	HB2	H	1.380	0.005	2
874	1	70	LEU	HB3	H	1.710	0.005	2
875	1	70	LEU	HG	H	0.740	0.005	1
876	1	70	LEU	HD11	H	1.060	0.005	2
877	1	70	LEU	HD12	H	1.060	0.005	2
878	1	70	LEU	HD13	H	1.060	0.005	2
879	1	70	LEU	HD21	H	0.720	0.005	2
880	1	70	LEU	HD22	H	0.720	0.005	2
881	1	70	LEU	HD23	H	0.720	0.005	2
882	1	70	LEU	C	C	175.400	0.050	1
883	1	70	LEU	CA	C	53.670	0.050	1
884	1	70	LEU	CB	C	44.580	0.050	1
885	1	70	LEU	CG	C	26.780	0.050	1
886	1	70	LEU	CD1	C	25.260	0.050	1
887	1	70	LEU	CD2	C	26.630	0.050	1
888	1	70	LEU	N	N	122.080	0.050	1
889	1	71	SER	H	H	8.380	0.005	1
890	1	71	SER	HA	H	5.180	0.005	1
891	1	71	SER	HB2	H	3.790	0.005	2
892	1	71	SER	HB3	H	3.820	0.005	2
893	1	71	SER	C	C	173.080	0.050	1
894	1	71	SER	CA	C	56.870	0.050	1
895	1	71	SER	CB	C	65.050	0.050	1
896	1	71	SER	N	N	116.350	0.050	1
897	1	72	LEU	H	H	8.970	0.005	1
898	1	72	LEU	HA	H	5.700	0.005	1
899	1	72	LEU	HB2	H	1.700	0.005	2
900	1	72	LEU	HB3	H	1.690	0.005	2
901	1	72	LEU	HG	H	1.610	0.005	1
902	1	72	LEU	HD11	H	0.690	0.005	2
903	1	72	LEU	HD12	H	0.690	0.005	2
904	1	72	LEU	HD13	H	0.690	0.005	2
905	1	72	LEU	HD21	H	0.690	0.005	2
906	1	72	LEU	HD22	H	0.690	0.005	2
907	1	72	LEU	HD23	H	0.690	0.005	2
908	1	72	LEU	C	C	177.920	0.050	1
909	1	72	LEU	CA	C	53.440	0.050	1
910	1	72	LEU	CB	C	44.990	0.050	1
911	1	72	LEU	CG	C	28.260	0.050	1
912	1	72	LEU	CD1	C	25.110	0.050	1
913	1	72	LEU	CD2	C	25.130	0.050	1
914	1	72	LEU	N	N	126.040	0.050	1
915	1	73	ASN	H	H	8.200	0.005	1
916	1	73	ASN	HA	H	5.140	0.005	1
917	1	73	ASN	HB2	H	3.060	0.005	2
918	1	73	ASN	HB3	H	3.670	0.005	2
919	1	73	ASN	HD21	H	7.420	0.005	2
920	1	73	ASN	HD22	H	7.660	0.005	2
921	1	73	ASN	C	C	177.960	0.050	1
922	1	73	ASN	CA	C	50.540	0.050	1
923	1	73	ASN	CB	C	39.140	0.050	1
924	1	73	ASN	N	N	120.630	0.050	1
925	1	73	ASN	ND2	N	111.910	0.050	1
926	1	74	GLU	H	H	9.140	0.005	1
927	1	74	GLU	HA	H	4.130	0.005	1
928	1	74	GLU	HB2	H	2.120	0.005	2
929	1	74	GLU	HB3	H	2.130	0.005	2
930	1	74	GLU	HG2	H	2.430	0.005	2
931	1	74	GLU	HG3	H	2.430	0.005	2
932	1	74	GLU	C	C	177.550	0.050	1
933	1	74	GLU	CA	C	59.740	0.050	1
934	1	74	GLU	CB	C	28.920	0.050	1
935	1	74	GLU	CG	C	36.490	0.050	1
936	1	74	GLU	N	N	119.390	0.050	1
937	1	75	GLU	H	H	7.620	0.005	1
938	1	75	GLU	HA	H	4.440	0.005	1
939	1	75	GLU	HB2	H	1.990	0.005	2
940	1	75	GLU	HB3	H	2.330	0.005	2
941	1	75	GLU	HG2	H	2.330	0.005	2
942	1	75	GLU	HG3	H	2.330	0.005	2
943	1	75	GLU	C	C	176.690	0.050	1
944	1	75	GLU	CA	C	56.350	0.050	1
945	1	75	GLU	CB	C	29.750	0.050	1
946	1	75	GLU	CG	C	36.700	0.050	1
947	1	75	GLU	N	N	116.460	0.050	1
948	1	76	GLY	H	H	8.250	0.005	1
949	1	76	GLY	HA2	H	3.610	0.005	2
950	1	76	GLY	HA3	H	4.330	0.005	2
951	1	76	GLY	C	C	174.220	0.050	1
952	1	76	GLY	CA	C	45.150	0.050	1
953	1	76	GLY	N	N	108.500	0.050	1
954	1	77	GLN	H	H	7.930	0.005	1
955	1	77	GLN	HA	H	4.130	0.005	1
956	1	77	GLN	HB2	H	2.070	0.005	2
957	1	77	GLN	HB3	H	2.060	0.005	2
958	1	77	GLN	HG2	H	2.380	0.005	1
959	1	77	GLN	HG3	H	2.620	0.005	1
960	1	77	GLN	HE21	H	6.800	0.005	2
961	1	77	GLN	HE22	H	7.490	0.005	2
962	1	77	GLN	C	C	175.450	0.050	1
963	1	77	GLN	CA	C	56.470	0.050	1
964	1	77	GLN	CB	C	28.010	0.050	1
965	1	77	GLN	CG	C	34.010	0.050	1
966	1	77	GLN	N	N	118.720	0.050	1
967	1	77	GLN	NE2	N	111.960	0.050	1
968	1	78	CYS	H	H	8.350	0.005	1
969	1	78	CYS	HA	H	5.370	0.005	1
970	1	78	CYS	HB2	H	2.310	0.005	2
971	1	78	CYS	HB3	H	2.360	0.005	2
972	1	78	CYS	C	C	171.920	0.050	1
973	1	78	CYS	CA	C	56.400	0.050	1
974	1	78	CYS	CB	C	30.000	0.050	1
975	1	78	CYS	N	N	120.020	0.050	1
976	1	79	ARG	H	H	8.970	0.005	1
977	1	79	ARG	HA	H	5.120	0.005	1
978	1	79	ARG	HB2	H	0.390	0.005	2
979	1	79	ARG	HB3	H	1.380	0.005	2
980	1	79	ARG	HG2	H	0.860	0.005	2
981	1	79	ARG	HG3	H	1.130	0.005	2
982	1	79	ARG	HD2	H	2.720	0.005	2
983	1	79	ARG	HD3	H	2.870	0.005	2
984	1	79	ARG	HE	H	6.830	0.005	1
985	1	79	ARG	C	C	175.720	0.050	1
986	1	79	ARG	CA	C	54.240	0.050	1
987	1	79	ARG	CB	C	31.880	0.050	1
988	1	79	ARG	CG	C	27.100	0.050	1
989	1	79	ARG	CD	C	43.220	0.050	1
990	1	79	ARG	N	N	129.600	0.050	1
991	1	79	ARG	NE	N	81.370	0.050	1
992	1	80	VAL	H	H	8.470	0.005	1
993	1	80	VAL	HA	H	4.460	0.005	1
994	1	80	VAL	HB	H	2.140	0.005	1
995	1	80	VAL	HG11	H	1.050	0.005	2
996	1	80	VAL	HG12	H	1.050	0.005	2
997	1	80	VAL	HG13	H	1.050	0.005	2
998	1	80	VAL	HG21	H	1.050	0.005	2
999	1	80	VAL	HG22	H	1.050	0.005	2
1000	1	80	VAL	HG23	H	1.050	0.005	2
1001	1	80	VAL	C	C	173.810	0.050	1
1002	1	80	VAL	CA	C	60.230	0.050	1
1003	1	80	VAL	CB	C	34.190	0.050	1
1004	1	80	VAL	CG1	C	20.390	0.050	1
1005	1	80	VAL	CG2	C	21.770	0.050	1
1006	1	80	VAL	N	N	124.290	0.050	1
1007	1	81	GLN	H	H	9.550	0.005	1
1008	1	81	GLN	HA	H	3.780	0.005	1
1009	1	81	GLN	HB2	H	2.270	0.005	2
1010	1	81	GLN	HB3	H	2.310	0.005	2
1011	1	81	GLN	HG2	H	2.310	0.005	2
1012	1	81	GLN	HG3	H	2.310	0.005	2
1013	1	81	GLN	HE21	H	6.800	0.005	2
1014	1	81	GLN	HE22	H	7.490	0.005	2
1015	1	81	GLN	C	C	175.010	0.050	1
1016	1	81	GLN	CA	C	57.480	0.050	1
1017	1	81	GLN	CB	C	26.730	0.050	1
1018	1	81	GLN	CG	C	34.170	0.050	1
1019	1	81	GLN	N	N	125.230	0.050	1
1020	1	81	GLN	NE2	N	111.260	0.050	1
1021	1	82	HIS	H	H	8.580	0.005	1
1022	1	82	HIS	HA	H	4.530	0.005	1
1023	1	82	HIS	HB2	H	3.350	0.005	2
1024	1	82	HIS	HB3	H	3.350	0.005	2
1025	1	82	HIS	HD2	H	7.110	0.005	1
1026	1	82	HIS	HE1	H	8.270	0.005	1
1027	1	82	HIS	C	C	174.070	0.050	1
1028	1	82	HIS	CA	C	56.470	0.050	1
1029	1	82	HIS	CB	C	28.850	0.050	1
1030	1	82	HIS	CD2	C	118.410	0.050	1
1031	1	82	HIS	CE1	C	137.550	0.050	1
1032	1	82	HIS	N	N	116.310	0.050	1
1033	1	83	LEU	H	H	8.450	0.005	1
1034	1	83	LEU	HA	H	4.420	0.005	1
1035	1	83	LEU	HB2	H	1.010	0.005	2
1036	1	83	LEU	HB3	H	2.000	0.005	2
1037	1	83	LEU	HG	H	1.410	0.005	1
1038	1	83	LEU	HD11	H	0.750	0.005	2
1039	1	83	LEU	HD12	H	0.750	0.005	2
1040	1	83	LEU	HD13	H	0.750	0.005	2
1041	1	83	LEU	HD21	H	1.020	0.005	2
1042	1	83	LEU	HD22	H	1.020	0.005	2
1043	1	83	LEU	HD23	H	1.020	0.005	2
1044	1	83	LEU	C	C	174.980	0.050	1
1045	1	83	LEU	CA	C	54.270	0.050	1
1046	1	83	LEU	CB	C	44.470	0.050	1
1047	1	83	LEU	CG	C	26.740	0.050	1
1048	1	83	LEU	CD1	C	22.780	0.050	1
1049	1	83	LEU	CD2	C	25.860	0.050	1
1050	1	83	LEU	N	N	123.200	0.050	1
1051	1	84	TRP	H	H	7.850	0.005	1
1052	1	84	TRP	HA	H	5.050	0.005	1
1053	1	84	TRP	HB2	H	2.820	0.005	2
1054	1	84	TRP	HB3	H	2.890	0.005	2
1055	1	84	TRP	HD1	H	7.040	0.005	1
1056	1	84	TRP	HE1	H	9.930	0.005	1
1057	1	84	TRP	HE3	H	7.300	0.005	1
1058	1	84	TRP	HZ2	H	7.340	0.005	1
1059	1	84	TRP	HZ3	H	6.840	0.005	1
1060	1	84	TRP	HH2	H	7.120	0.005	1
1061	1	84	TRP	C	C	174.990	0.050	1
1062	1	84	TRP	CA	C	56.440	0.050	1
1063	1	84	TRP	CB	C	31.960	0.050	1
1064	1	84	TRP	CD1	C	126.970	0.050	1
1065	1	84	TRP	CE3	C	120.700	0.050	1
1066	1	84	TRP	CZ2	C	114.070	0.050	1
1067	1	84	TRP	CZ3	C	121.770	0.050	1
1068	1	84	TRP	CH2	C	124.170	0.005	1
1069	1	84	TRP	N	N	120.330	0.050	1
1070	1	84	TRP	NE1	N	128.400	0.050	1
1071	1	85	PHE	H	H	8.980	0.005	1
1072	1	85	PHE	HA	H	4.560	0.005	1
1073	1	85	PHE	HB2	H	2.520	0.005	2
1074	1	85	PHE	HB3	H	3.130	0.005	2
1075	1	85	PHE	HD1	H	6.920	0.005	1
1076	1	85	PHE	HD2	H	6.920	0.005	1
1077	1	85	PHE	HE1	H	6.520	0.005	1
1078	1	85	PHE	HE2	H	6.520	0.005	1
1079	1	85	PHE	HZ	H	6.940	0.005	1
1080	1	85	PHE	C	C	175.760	0.050	1
1081	1	85	PHE	CA	C	56.370	0.050	1
1082	1	85	PHE	CB	C	43.980	0.050	1
1083	1	85	PHE	CD1	C	131.750	0.050	1
1084	1	85	PHE	CD2	C	131.750	0.050	1
1085	1	85	PHE	CE1	C	130.330	0.050	1
1086	1	85	PHE	CE2	C	130.330	0.050	1
1087	1	85	PHE	CZ	C	130.330	0.050	1
1088	1	85	PHE	N	N	120.010	0.050	1
1089	1	86	GLN	H	H	9.550	0.005	1
1090	1	86	GLN	HA	H	3.890	0.005	1
1091	1	86	GLN	HB2	H	2.200	0.005	2
1092	1	86	GLN	HB3	H	2.200	0.005	2
1093	1	86	GLN	HG2	H	2.520	0.005	2
1094	1	86	GLN	HG3	H	2.520	0.005	2
1095	1	86	GLN	HE21	H	6.960	0.005	2
1096	1	86	GLN	HE22	H	7.620	0.005	2
1097	1	86	GLN	C	C	174.200	0.050	1
1098	1	86	GLN	CA	C	58.020	0.050	1
1099	1	86	GLN	CB	C	28.490	0.050	1
1100	1	86	GLN	CG	C	33.780	0.050	1
1101	1	86	GLN	N	N	120.800	0.050	1
1102	1	86	GLN	NE2	N	112.280	0.050	1
1103	1	87	SER	H	H	7.390	0.005	1
1104	1	87	SER	HA	H	5.130	0.005	1
1105	1	87	SER	HB2	H	4.200	0.005	2
1106	1	87	SER	HB3	H	4.210	0.005	2
1107	1	87	SER	C	C	175.210	0.050	1
1108	1	87	SER	CA	C	56.540	0.050	1
1109	1	87	SER	CB	C	66.990	0.050	1
1110	1	87	SER	N	N	105.470	0.050	1
1111	1	88	ILE	H	H	9.630	0.005	1
1112	1	88	ILE	HA	H	3.800	0.005	1
1113	1	88	ILE	HB	H	1.480	0.005	1
1114	1	88	ILE	HG12	H	0.810	0.005	2
1115	1	88	ILE	HG13	H	1.390	0.005	2
1116	1	88	ILE	HG21	H	0.170	0.005	1
1117	1	88	ILE	HG22	H	0.170	0.005	1
1118	1	88	ILE	HG23	H	0.170	0.005	1
1119	1	88	ILE	HD11	H	0.570	0.005	1
1120	1	88	ILE	HD12	H	0.570	0.005	1
1121	1	88	ILE	HD13	H	0.570	0.005	1
1122	1	88	ILE	C	C	175.210	0.050	1
1123	1	88	ILE	CA	C	63.940	0.050	1
1124	1	88	ILE	CB	C	37.640	0.050	1
1125	1	88	ILE	CG1	C	29.350	0.050	1
1126	1	88	ILE	CG2	C	15.660	0.050	1
1127	1	88	ILE	CD1	C	14.440	0.050	1
1128	1	88	ILE	N	N	122.050	0.050	1
1129	1	89	PHE	H	H	6.800	0.005	1
1130	1	89	PHE	HA	H	3.840	0.005	1
1131	1	89	PHE	HB2	H	2.840	0.005	2
1132	1	89	PHE	HB3	H	3.310	0.005	2
1133	1	89	PHE	HD1	H	7.200	0.005	1
1134	1	89	PHE	HD2	H	7.200	0.005	1
1135	1	89	PHE	HE1	H	7.040	0.005	1
1136	1	89	PHE	HE2	H	7.040	0.005	1
1137	1	89	PHE	HZ	H	7.020	0.005	1
1138	1	89	PHE	C	C	178.090	0.050	1
1139	1	89	PHE	CA	C	60.030	0.050	1
1140	1	89	PHE	CB	C	37.810	0.050	1
1141	1	89	PHE	CD1	C	131.020	0.050	1
1142	1	89	PHE	CD2	C	131.020	0.050	1
1143	1	89	PHE	CE1	C	132.340	0.050	1
1144	1	89	PHE	CE2	C	132.340	0.050	1
1145	1	89	PHE	CZ	C	132.050	0.050	1
1146	1	89	PHE	N	N	121.220	0.050	1
1147	1	90	ASP	H	H	7.820	0.005	1
1148	1	90	ASP	HA	H	4.310	0.005	1
1149	1	90	ASP	HB2	H	2.730	0.005	2
1150	1	90	ASP	HB3	H	2.900	0.005	2
1151	1	90	ASP	C	C	178.080	0.050	1
1152	1	90	ASP	CA	C	57.090	0.050	1
1153	1	90	ASP	CB	C	41.510	0.050	1
1154	1	90	ASP	N	N	119.120	0.050	1
1155	1	91	MET	H	H	7.000	0.005	1
1156	1	91	MET	HA	H	2.000	0.005	1
1157	1	91	MET	HB2	H	1.120	0.005	2
1158	1	91	MET	HB3	H	1.120	0.005	2
1159	1	91	MET	HG2	H	1.380	0.005	2
1160	1	91	MET	HG3	H	1.380	0.005	2
1161	1	91	MET	HE1	H	1.680	0.005	1
1162	1	91	MET	HE2	H	1.680	0.005	1
1163	1	91	MET	HE3	H	1.680	0.005	1
1164	1	91	MET	C	C	176.100	0.050	1
1165	1	91	MET	CA	C	58.720	0.050	1
1166	1	91	MET	CB	C	30.280	0.050	1
1167	1	91	MET	CG	C	31.930	0.050	1
1168	1	91	MET	CE	C	17.550	0.050	1
1169	1	91	MET	N	N	121.600	0.050	1
1170	1	92	LEU	H	H	7.580	0.005	1
1171	1	92	LEU	HA	H	3.390	0.005	1
1172	1	92	LEU	HB2	H	0.820	0.005	2
1173	1	92	LEU	HB3	H	1.490	0.005	2
1174	1	92	LEU	HG	H	1.200	0.005	1
1175	1	92	LEU	HD11	H	-0.070	0.005	2
1176	1	92	LEU	HD12	H	-0.070	0.005	2
1177	1	92	LEU	HD13	H	-0.070	0.005	2
1178	1	92	LEU	HD21	H	-0.530	0.005	2
1179	1	92	LEU	HD22	H	-0.530	0.005	2
1180	1	92	LEU	HD23	H	-0.530	0.005	2
1181	1	92	LEU	C	C	179.260	0.050	1
1182	1	92	LEU	CA	C	57.590	0.050	1
1183	1	92	LEU	CB	C	41.090	0.050	1
1184	1	92	LEU	CG	C	25.860	0.050	1
1185	1	92	LEU	CD1	C	22.580	0.050	1
1186	1	92	LEU	CD2	C	23.980	0.050	1
1187	1	92	LEU	N	N	117.900	0.050	1
1188	1	93	GLU	H	H	7.470	0.005	1
1189	1	93	GLU	HA	H	3.990	0.005	1
1190	1	93	GLU	HB2	H	2.000	0.005	2
1191	1	93	GLU	HB3	H	2.000	0.005	2
1192	1	93	GLU	HG2	H	2.270	0.005	2
1193	1	93	GLU	HG3	H	2.270	0.005	2
1194	1	93	GLU	C	C	179.620	0.050	1
1195	1	93	GLU	CA	C	58.480	0.050	1
1196	1	93	GLU	CB	C	29.370	0.050	1
1197	1	93	GLU	CG	C	35.810	0.050	1
1198	1	93	GLU	N	N	116.160	0.050	1
1199	1	94	HIS	H	H	7.940	0.005	1
1200	1	94	HIS	HA	H	4.250	0.005	1
1201	1	94	HIS	HB2	H	2.710	0.005	2
1202	1	94	HIS	HB3	H	2.970	0.005	2
1203	1	94	HIS	HD1	H	7.500	0.005	1
1204	1	94	HIS	HD2	H	5.790	0.005	1
1205	1	94	HIS	HE1	H	8.240	0.005	1
1206	1	94	HIS	C	C	178.720	0.050	1
1207	1	94	HIS	CA	C	60.750	0.050	1
1208	1	94	HIS	CB	C	30.290	0.050	1
1209	1	94	HIS	CD2	C	120.150	0.050	1
1210	1	94	HIS	CE1	C	137.550	0.050	1
1211	1	94	HIS	N	N	120.570	0.050	1
1212	1	94	HIS	ND1	N	184.290	0.050	1
1213	1	95	PHE	H	H	7.700	0.005	1
1214	1	95	PHE	HA	H	5.680	0.005	1
1215	1	95	PHE	HB2	H	2.490	0.005	2
1216	1	95	PHE	HB3	H	3.350	0.005	2
1217	1	95	PHE	HD1	H	7.170	0.005	1
1218	1	95	PHE	HD2	H	7.170	0.005	1
1219	1	95	PHE	HE1	H	7.050	0.005	1
1220	1	95	PHE	HE2	H	7.050	0.005	1
1221	1	95	PHE	HZ	H	7.070	0.005	1
1222	1	95	PHE	C	C	174.790	0.050	1
1223	1	95	PHE	CA	C	57.210	0.050	1
1224	1	95	PHE	CB	C	37.540	0.050	1
1225	1	95	PHE	CD1	C	131.690	0.050	1
1226	1	95	PHE	CD2	C	131.690	0.050	1
1227	1	95	PHE	CE1	C	130.680	0.050	1
1228	1	95	PHE	CE2	C	130.680	0.050	1
1229	1	95	PHE	CZ	C	128.140	0.050	1
1230	1	95	PHE	N	N	115.650	0.050	1
1231	1	96	ARG	H	H	7.300	0.005	1
1232	1	96	ARG	HA	H	4.580	0.005	1
1233	1	96	ARG	HB2	H	1.940	0.005	2
1234	1	96	ARG	HB3	H	1.940	0.005	2
1235	1	96	ARG	HG2	H	1.650	0.005	2
1236	1	96	ARG	HG3	H	1.940	0.005	2
1237	1	96	ARG	HD2	H	3.230	0.005	2
1238	1	96	ARG	HD3	H	3.230	0.005	2
1239	1	96	ARG	HE	H	7.280	0.005	1
1240	1	96	ARG	C	C	177.280	0.050	1
1241	1	96	ARG	CA	C	57.970	0.050	1
1242	1	96	ARG	CB	C	31.100	0.050	1
1243	1	96	ARG	CG	C	27.550	0.050	1
1244	1	96	ARG	CD	C	43.360	0.050	1
1245	1	96	ARG	N	N	117.400	0.050	1
1246	1	96	ARG	NE	N	84.530	0.050	1
1247	1	97	VAL	H	H	6.960	0.005	1
1248	1	97	VAL	HA	H	4.120	0.005	1
1249	1	97	VAL	HB	H	1.830	0.005	1
1250	1	97	VAL	HG11	H	0.760	0.005	2
1251	1	97	VAL	HG12	H	0.760	0.005	2
1252	1	97	VAL	HG13	H	0.760	0.005	2
1253	1	97	VAL	HG21	H	0.570	0.005	2
1254	1	97	VAL	HG22	H	0.570	0.005	2
1255	1	97	VAL	HG23	H	0.570	0.005	2
1256	1	97	VAL	C	C	174.400	0.050	1
1257	1	97	VAL	CA	C	62.010	0.050	1
1258	1	97	VAL	CB	C	34.580	0.050	1
1259	1	97	VAL	CG1	C	20.280	0.050	1
1260	1	97	VAL	CG2	C	20.870	0.050	1
1261	1	97	VAL	N	N	111.750	0.050	1
1262	1	98	HIS	H	H	8.250	0.005	1
1263	1	98	HIS	HA	H	4.840	0.005	1
1264	1	98	HIS	HB2	H	2.310	0.005	2
1265	1	98	HIS	HB3	H	3.100	0.005	2
1266	1	98	HIS	HD2	H	6.780	0.005	1
1267	1	98	HIS	HE1	H	7.470	0.005	1
1268	1	98	HIS	C	C	170.830	0.050	1
1269	1	98	HIS	CA	C	52.370	0.050	1
1270	1	98	HIS	CB	C	29.060	0.050	1
1271	1	98	HIS	CD2	C	121.220	0.050	1
1272	1	98	HIS	CE1	C	138.420	0.050	1
1273	1	98	HIS	N	N	121.570	0.050	1
1274	1	98	HIS	ND1	N	182.980	0.050	1
1275	1	99	PRO	HA	H	4.540	0.005	1
1276	1	99	PRO	HB2	H	1.870	0.005	2
1277	1	99	PRO	HB3	H	2.070	0.005	2
1278	1	99	PRO	HG2	H	1.930	0.005	2
1279	1	99	PRO	HG3	H	2.060	0.005	2
1280	1	99	PRO	HD2	H	3.740	0.005	2
1281	1	99	PRO	HD3	H	3.740	0.005	2
1282	1	99	PRO	C	C	177.400	0.050	1
1283	1	99	PRO	CA	C	61.990	0.050	1
1284	1	99	PRO	CB	C	32.830	0.050	1
1285	1	99	PRO	CG	C	27.650	0.050	1
1286	1	99	PRO	CD	C	50.620	0.050	1
1287	1	100	ILE	H	H	8.120	0.005	1
1288	1	100	ILE	HA	H	3.600	0.005	1
1289	1	100	ILE	HB	H	1.130	0.005	1
1290	1	100	ILE	HG12	H	-0.370	0.005	2
1291	1	100	ILE	HG13	H	1.130	0.005	2
1292	1	100	ILE	HG21	H	0.240	0.005	1
1293	1	100	ILE	HG22	H	0.240	0.005	1
1294	1	100	ILE	HG23	H	0.240	0.005	1
1295	1	100	ILE	HD11	H	-0.380	0.005	1
1296	1	100	ILE	HD12	H	-0.380	0.005	1
1297	1	100	ILE	HD13	H	-0.380	0.005	1
1298	1	100	ILE	C	C	175.230	0.050	1
1299	1	100	ILE	CA	C	59.240	0.050	1
1300	1	100	ILE	CB	C	39.280	0.050	1
1301	1	100	ILE	CG1	C	27.260	0.050	1
1302	1	100	ILE	CG2	C	16.380	0.050	1
1303	1	100	ILE	CD1	C	12.240	0.050	1
1304	1	100	ILE	N	N	123.150	0.050	1
1305	1	101	PRO	HA	H	4.690	0.005	1
1306	1	101	PRO	HB2	H	2.130	0.005	2
1307	1	101	PRO	HB3	H	2.160	0.005	2
1308	1	101	PRO	HG2	H	2.150	0.005	2
1309	1	101	PRO	HG3	H	2.140	0.005	2
1310	1	101	PRO	HD2	H	3.310	0.005	2
1311	1	101	PRO	HD3	H	4.040	0.005	2
1312	1	101	PRO	C	C	175.870	0.050	1
1313	1	101	PRO	CA	C	62.720	0.050	1
1314	1	101	PRO	CB	C	31.200	0.050	1
1315	1	101	PRO	CG	C	27.320	0.050	1
1316	1	101	PRO	CD	C	51.140	0.050	1
1317	1	102	LEU	H	H	8.180	0.005	1
1318	1	102	LEU	HA	H	4.440	0.005	1
1319	1	102	LEU	HB2	H	1.510	0.005	2
1320	1	102	LEU	HB3	H	1.520	0.005	2
1321	1	102	LEU	HD11	H	0.700	0.005	2
1322	1	102	LEU	HD12	H	0.700	0.005	2
1323	1	102	LEU	HD13	H	0.700	0.005	2
1324	1	102	LEU	HD21	H	0.650	0.005	2
1325	1	102	LEU	HD22	H	0.650	0.005	2
1326	1	102	LEU	HD23	H	0.650	0.005	2
1327	1	102	LEU	C	C	178.260	0.050	1
1328	1	102	LEU	CA	C	54.080	0.050	1
1329	1	102	LEU	CB	C	43.330	0.050	1
1330	1	102	LEU	CG	C	26.820	0.050	1
1331	1	102	LEU	CD1	C	23.210	0.050	1
1332	1	102	LEU	CD2	C	25.600	0.050	1
1333	1	102	LEU	N	N	122.410	0.050	1
1334	1	103	GLU	H	H	8.970	0.005	1
1335	1	103	GLU	HA	H	4.170	0.005	1
1336	1	103	GLU	HB2	H	2.100	0.005	2
1337	1	103	GLU	HB3	H	2.090	0.005	2
1338	1	103	GLU	HG2	H	2.350	0.005	2
1339	1	103	GLU	HG3	H	2.350	0.005	2
1340	1	103	GLU	C	C	176.920	0.050	1
1341	1	103	GLU	CA	C	58.210	0.050	1
1342	1	103	GLU	CB	C	29.450	0.050	1
1343	1	103	GLU	CG	C	36.500	0.050	1
1344	1	103	GLU	N	N	121.920	0.050	1
1345	1	104	SER	H	H	8.010	0.005	1
1346	1	104	SER	HA	H	4.430	0.005	1
1347	1	104	SER	HB2	H	3.930	0.005	2
1348	1	104	SER	HB3	H	4.010	0.005	2
1349	1	104	SER	C	C	175.120	0.050	1
1350	1	104	SER	CA	C	58.320	0.050	1
1351	1	104	SER	CB	C	63.580	0.050	1
1352	1	104	SER	N	N	112.680	0.050	1
1353	1	105	GLY	H	H	8.220	0.005	1
1354	1	105	GLY	HA2	H	3.870	0.005	2
1355	1	105	GLY	HA3	H	4.260	0.005	2
1356	1	105	GLY	C	C	174.590	0.050	1
1357	1	105	GLY	CA	C	45.330	0.050	1
1358	1	105	GLY	N	N	110.730	0.050	1
1359	1	106	GLY	H	H	8.230	0.005	1
1360	1	106	GLY	HA2	H	4.070	0.005	2
1361	1	106	GLY	HA3	H	4.060	0.005	2
1362	1	106	GLY	C	C	173.690	0.050	1
1363	1	106	GLY	CA	C	44.950	0.050	1
1364	1	106	GLY	N	N	108.700	0.050	1
1365	1	107	SER	H	H	8.470	0.005	1
1366	1	107	SER	HA	H	4.590	0.005	1
1367	1	107	SER	HB2	H	3.920	0.005	2
1368	1	107	SER	HB3	H	3.920	0.005	2
1369	1	107	SER	C	C	174.750	0.050	1
1370	1	107	SER	CA	C	58.430	0.050	1
1371	1	107	SER	CB	C	64.190	0.050	1
1372	1	107	SER	N	N	115.010	0.050	1
1373	1	108	SER	H	H	8.200	0.005	1
1374	1	108	SER	HA	H	4.600	0.005	1
1375	1	108	SER	HB2	H	3.930	0.005	2
1376	1	108	SER	HB3	H	3.810	0.005	2
1377	1	108	SER	C	C	173.390	0.050	1
1378	1	108	SER	CA	C	58.440	0.050	1
1379	1	108	SER	CB	C	64.650	0.050	1
1380	1	108	SER	N	N	118.270	0.050	1
1381	1	109	ASP	H	H	8.370	0.005	1
1382	1	109	ASP	HA	H	4.760	0.005	1
1383	1	109	ASP	HB2	H	2.780	0.005	2
1384	1	109	ASP	HB3	H	2.780	0.005	2
1385	1	109	ASP	C	C	175.720	0.050	1
1386	1	109	ASP	CA	C	54.160	0.050	1
1387	1	109	ASP	CB	C	41.420	0.050	1
1388	1	109	ASP	N	N	119.810	0.050	1
1389	1	110	VAL	H	H	8.380	0.005	1
1390	1	110	VAL	HA	H	4.480	0.005	1
1391	1	110	VAL	HB	H	2.150	0.005	1
1392	1	110	VAL	HG11	H	0.900	0.005	2
1393	1	110	VAL	HG12	H	0.900	0.005	2
1394	1	110	VAL	HG13	H	0.900	0.005	2
1395	1	110	VAL	HG21	H	0.790	0.005	2
1396	1	110	VAL	HG22	H	0.790	0.005	2
1397	1	110	VAL	HG23	H	0.790	0.005	2
1398	1	110	VAL	C	C	172.390	0.050	1
1399	1	110	VAL	CA	C	61.790	0.050	1
1400	1	110	VAL	CB	C	33.840	0.050	1
1401	1	110	VAL	CG1	C	20.620	0.050	1
1402	1	110	VAL	CG2	C	21.480	0.050	1
1403	1	110	VAL	N	N	121.220	0.050	1
1404	1	111	VAL	H	H	7.340	0.005	1
1405	1	111	VAL	HA	H	4.560	0.005	1
1406	1	111	VAL	HB	H	2.030	0.005	1
1407	1	111	VAL	HG11	H	0.660	0.005	2
1408	1	111	VAL	HG12	H	0.660	0.005	2
1409	1	111	VAL	HG13	H	0.660	0.005	2
1410	1	111	VAL	HG21	H	0.470	0.005	2
1411	1	111	VAL	HG22	H	0.470	0.005	2
1412	1	111	VAL	HG23	H	0.470	0.005	2
1413	1	111	VAL	C	C	175.530	0.050	1
1414	1	111	VAL	CA	C	58.660	0.050	1
1415	1	111	VAL	CB	C	33.960	0.050	1
1416	1	111	VAL	CG1	C	18.330	0.050	1
1417	1	111	VAL	CG2	C	21.260	0.050	1
1418	1	111	VAL	N	N	118.790	0.050	1
1419	1	112	LEU	H	H	8.230	0.005	1
1420	1	112	LEU	HA	H	4.530	0.005	1
1421	1	112	LEU	HB2	H	1.000	0.005	2
1422	1	112	LEU	HB3	H	1.170	0.005	2
1423	1	112	LEU	HG	H	1.150	0.005	1
1424	1	112	LEU	HD11	H	0.070	0.005	2
1425	1	112	LEU	HD12	H	0.070	0.005	2
1426	1	112	LEU	HD13	H	0.070	0.005	2
1427	1	112	LEU	HD21	H	-0.050	0.005	2
1428	1	112	LEU	HD22	H	-0.050	0.005	2
1429	1	112	LEU	HD23	H	-0.050	0.005	2
1430	1	112	LEU	C	C	177.740	0.050	1
1431	1	112	LEU	CA	C	54.010	0.050	1
1432	1	112	LEU	CB	C	40.080	0.050	1
1433	1	112	LEU	CG	C	25.740	0.050	1
1434	1	112	LEU	CD1	C	20.950	0.050	1
1435	1	112	LEU	CD2	C	25.630	0.050	1
1436	1	112	LEU	N	N	118.880	0.050	1
1437	1	113	VAL	H	H	8.950	0.005	1
1438	1	113	VAL	HA	H	4.220	0.005	1
1439	1	113	VAL	HB	H	1.960	0.005	1
1440	1	113	VAL	HG11	H	1.100	0.005	2
1441	1	113	VAL	HG12	H	1.100	0.005	2
1442	1	113	VAL	HG13	H	1.100	0.005	2
1443	1	113	VAL	HG21	H	1.060	0.005	2
1444	1	113	VAL	HG22	H	1.060	0.005	2
1445	1	113	VAL	HG23	H	1.060	0.005	2
1446	1	113	VAL	C	C	175.960	0.050	1
1447	1	113	VAL	CA	C	63.940	0.050	1
1448	1	113	VAL	CB	C	34.050	0.050	1
1449	1	113	VAL	CG1	C	21.380	0.050	1
1450	1	113	VAL	CG2	C	21.520	0.050	1
1451	1	113	VAL	N	N	122.350	0.050	1
1452	1	114	SER	H	H	7.560	0.005	1
1453	1	114	SER	HA	H	4.680	0.005	1
1454	1	114	SER	HB2	H	3.830	0.005	2
1455	1	114	SER	HB3	H	3.830	0.005	2
1456	1	114	SER	C	C	170.990	0.050	1
1457	1	114	SER	CA	C	57.290	0.050	1
1458	1	114	SER	CB	C	64.260	0.050	1
1459	1	114	SER	N	N	112.350	0.050	1
1460	1	115	TYR	H	H	7.090	0.005	1
1461	1	115	TYR	HA	H	5.390	0.005	1
1462	1	115	TYR	HB2	H	1.870	0.005	2
1463	1	115	TYR	HB3	H	2.610	0.005	2
1464	1	115	TYR	HD1	H	6.830	0.005	1
1465	1	115	TYR	HD2	H	6.830	0.005	1
1466	1	115	TYR	HE1	H	6.900	0.005	1
1467	1	115	TYR	HE2	H	6.900	0.005	1
1468	1	115	TYR	C	C	176.560	0.050	1
1469	1	115	TYR	CA	C	53.340	0.050	1
1470	1	115	TYR	CB	C	40.280	0.050	1
1471	1	115	TYR	CD1	C	134.000	0.050	1
1472	1	115	TYR	CD2	C	134.000	0.050	1
1473	1	115	TYR	CE1	C	118.310	0.050	1
1474	1	115	TYR	CE2	C	118.310	0.050	1
1475	1	115	TYR	N	N	114.120	0.050	1
1476	1	116	VAL	H	H	8.040	0.005	1
1477	1	116	VAL	HA	H	4.470	0.005	1
1478	1	116	VAL	HB	H	1.950	0.005	1
1479	1	116	VAL	HG11	H	0.850	0.005	2
1480	1	116	VAL	HG12	H	0.850	0.005	2
1481	1	116	VAL	HG13	H	0.850	0.005	2
1482	1	116	VAL	HG21	H	0.860	0.005	2
1483	1	116	VAL	HG22	H	0.860	0.005	2
1484	1	116	VAL	HG23	H	0.860	0.005	2
1485	1	116	VAL	C	C	174.900	0.050	1
1486	1	116	VAL	CA	C	59.350	0.050	1
1487	1	116	VAL	CB	C	32.810	0.050	1
1488	1	116	VAL	CG1	C	21.450	0.050	1
1489	1	116	VAL	CG2	C	21.550	0.050	1
1490	1	116	VAL	N	N	122.640	0.050	1
1491	1	117	PRO	HA	H	4.990	0.005	1
1492	1	117	PRO	HB2	H	2.190	0.005	2
1493	1	117	PRO	HB3	H	2.490	0.005	2
1494	1	117	PRO	HG2	H	2.050	0.005	2
1495	1	117	PRO	HG3	H	2.230	0.005	2
1496	1	117	PRO	HD2	H	3.870	0.005	2
1497	1	117	PRO	HD3	H	4.180	0.005	2
1498	1	117	PRO	C	C	177.260	0.050	1
1499	1	117	PRO	CA	C	62.590	0.050	1
1500	1	117	PRO	CB	C	32.570	0.050	1
1501	1	117	PRO	CG	C	27.550	0.050	1
1502	1	117	PRO	CD	C	51.190	0.050	1
1503	1	118	SER	H	H	8.960	0.005	1
1504	1	118	SER	HA	H	3.700	0.005	1
1505	1	118	SER	HB2	H	2.670	0.005	2
1506	1	118	SER	HB3	H	3.350	0.005	2
1507	1	118	SER	C	C	173.980	0.050	1
1508	1	118	SER	CA	C	57.960	0.050	1
1509	1	118	SER	CB	C	63.580	0.050	1
1510	1	118	SER	N	N	117.690	0.050	1
1511	1	119	GLN	H	H	7.820	0.005	1
1512	1	119	GLN	HA	H	4.230	0.005	1
1513	1	119	GLN	HB2	H	1.950	0.005	2
1514	1	119	GLN	HB3	H	2.160	0.005	2
1515	1	119	GLN	HG2	H	2.270	0.005	2
1516	1	119	GLN	HG3	H	2.280	0.005	2
1517	1	119	GLN	HE21	H	6.810	0.005	2
1518	1	119	GLN	HE22	H	7.490	0.005	2
1519	1	119	GLN	C	C	175.730	0.050	1
1520	1	119	GLN	CA	C	57.110	0.050	1
1521	1	119	GLN	CB	C	30.540	0.050	1
1522	1	119	GLN	CG	C	33.950	0.050	1
1523	1	119	GLN	N	N	126.140	0.050	1
1524	1	119	GLN	NE2	N	112.070	0.050	1

Release date

2022-02-28

Citation

Improved methodology for protein NMR structure calculation using hydrogen bond restraints and ANSURR validation: The SH2 domain of SH2B1
Fowler, N.J., Albalwi, M.F., Lee, S., Hounslow, A.M., Williamson, M.P.
Structure (2023), 31, 975-986, PubMed 37311460 , DOI 10.1016/j.str.2023.05.012 , Abstract

Related entities 1. SH2, : 1 : 9 : 65 entities Detail

Interaction partners 1. SH2, : 4 interactors Detail

More details for 4 interactors identified by 2 citations

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC