BMRBj - BMREntryMaster

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BMRB: 34604

7NM5

Solution structure of MLKL executioner domain in complex with a fragment

Authors

Ruebbelke, M., Bauer, M., Hamilton, J., Binder, F., Nar, H., Zeeb, M.

Assembly

Mixed lineage kinase domain-like protein

Entity

1. Mixed lineage kinase domain-like protein, entity 1 (polymer), 157 monomers, 18153.69 Da Detail

GSPGENLKHI ITLGQVIHKR CEEMKYCKKQ CRRLGHRVLG LIKPLEMLQD QGKRSVPSEK LTTAMNRFKA ALEEANGEIE KFSNRSNICR FLTASQDKIL FKDVNRKLSD VWKELSLLLQ VEQRMPVSPI SQGASWAQED QQDADEDRRA FQMLRRD

2. Mixed lineage kinase domain-like protein, entity UJ8 (non-polymer), 266.338 Da

Total weight

18420.027 Da

Max. entity weight

18153.69 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 1061, ¹³C: 511, ¹⁵N: 159 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err
1	1	1	GLY	HA2	H	3.967	0.000
2	1	1	GLY	HA3	H	3.895	0.000
3	1	1	GLY	CA	C	43.402	0.002
4	1	2	SER	HA	H	4.969	0.000
5	1	2	SER	HB2	H	4.229	0.000
6	1	2	SER	HB3	H	3.995	0.000
7	1	2	SER	CA	C	56.772	0.000
8	1	2	SER	CB	C	62.854	0.005
9	1	4	GLY	HA2	H	3.848	0.000
10	1	4	GLY	HA3	H	3.966	0.000
11	1	4	GLY	CA	C	46.874	0.019
12	1	5	GLU	H	H	7.828	0.000
13	1	5	GLU	HA	H	4.041	0.000
14	1	5	GLU	HB2	H	2.079	0.000
15	1	5	GLU	HG2	H	2.267	0.000
16	1	5	GLU	HG3	H	2.337	0.000
17	1	5	GLU	CA	C	58.837	0.000
18	1	5	GLU	CB	C	29.454	0.000
19	1	5	GLU	CG	C	36.851	0.003
20	1	5	GLU	N	N	122.905	0.000
21	1	6	ASN	H	H	8.577	0.000
22	1	6	ASN	HA	H	4.672	0.000
23	1	6	ASN	HB2	H	3.093	0.000
24	1	6	ASN	HB3	H	3.390	0.000
25	1	6	ASN	CA	C	55.478	0.000
26	1	6	ASN	CB	C	37.482	0.046
27	1	6	ASN	N	N	119.486	0.000
28	1	7	LEU	H	H	8.175	0.000
29	1	7	LEU	HA	H	4.081	0.000
30	1	7	LEU	HB2	H	1.914	0.000
31	1	7	LEU	HB3	H	2.032	0.000
32	1	7	LEU	HD11	H	0.895	0.000
33	1	7	LEU	HD12	H	0.895	0.000
34	1	7	LEU	HD13	H	0.895	0.000
35	1	7	LEU	HD21	H	0.922	0.000
36	1	7	LEU	HD22	H	0.922	0.000
37	1	7	LEU	HD23	H	0.922	0.000
38	1	7	LEU	CA	C	58.051	0.000
39	1	7	LEU	CB	C	41.965	0.001
40	1	7	LEU	CD1	C	24.191	0.000
41	1	7	LEU	CD2	C	25.806	0.000
42	1	7	LEU	N	N	120.413	0.000
43	1	8	LYS	H	H	7.817	0.000
44	1	8	LYS	HA	H	3.983	0.000
45	1	8	LYS	HB2	H	1.932	0.000
46	1	8	LYS	HB3	H	1.980	0.000
47	1	8	LYS	HG2	H	1.534	0.000
48	1	8	LYS	HG3	H	1.445	0.000
49	1	8	LYS	HD2	H	1.687	0.000
50	1	8	LYS	HD3	H	1.687	0.000
51	1	8	LYS	HE2	H	2.899	0.000
52	1	8	LYS	HE3	H	2.899	0.000
53	1	8	LYS	CA	C	59.721	0.000
54	1	8	LYS	CB	C	31.841	0.002
55	1	8	LYS	CG	C	24.817	0.006
56	1	8	LYS	CD	C	29.014	0.000
57	1	8	LYS	CE	C	41.728	0.000
58	1	8	LYS	N	N	118.697	0.000
59	1	9	HIS	H	H	8.024	0.000
60	1	9	HIS	HA	H	4.422	0.000
61	1	9	HIS	HB2	H	3.297	0.000
62	1	9	HIS	HB3	H	3.297	0.000
63	1	9	HIS	HD2	H	6.924	0.000
64	1	9	HIS	HE1	H	7.788	0.000
65	1	9	HIS	CA	C	59.441	0.000
66	1	9	HIS	CB	C	30.671	0.000
67	1	9	HIS	CD2	C	118.728	0.000
68	1	9	HIS	CE1	C	138.706	0.000
69	1	9	HIS	N	N	118.808	0.000
70	1	10	ILE	H	H	7.785	0.000
71	1	10	ILE	HA	H	3.441	0.000
72	1	10	ILE	HB	H	2.133	0.000
73	1	10	ILE	HG12	H	0.826	0.000
74	1	10	ILE	HG13	H	2.031	0.000
75	1	10	ILE	HG21	H	0.890	0.000
76	1	10	ILE	HG22	H	0.890	0.000
77	1	10	ILE	HG23	H	0.890	0.000
78	1	10	ILE	HD11	H	1.000	0.000
79	1	10	ILE	HD12	H	1.000	0.000
80	1	10	ILE	HD13	H	1.000	0.000
81	1	10	ILE	CA	C	65.915	0.000
82	1	10	ILE	CB	C	38.331	0.000
83	1	10	ILE	CG1	C	30.849	0.014
84	1	10	ILE	CG2	C	17.735	0.000
85	1	10	ILE	CD1	C	14.205	0.000
86	1	10	ILE	N	N	121.068	0.000
87	1	11	ILE	H	H	8.172	0.000
88	1	11	ILE	HA	H	3.572	0.000
89	1	11	ILE	HB	H	1.876	0.000
90	1	11	ILE	HG12	H	0.945	0.000
91	1	11	ILE	HG13	H	1.753	0.000
92	1	11	ILE	HG21	H	0.884	0.000
93	1	11	ILE	HG22	H	0.884	0.000
94	1	11	ILE	HG23	H	0.884	0.000
95	1	11	ILE	HD11	H	0.740	0.000
96	1	11	ILE	HD12	H	0.740	0.000
97	1	11	ILE	HD13	H	0.740	0.000
98	1	11	ILE	CA	C	65.867	0.000
99	1	11	ILE	CB	C	38.551	0.000
100	1	11	ILE	CG1	C	30.109	0.012
101	1	11	ILE	CG2	C	17.472	0.000
102	1	11	ILE	CD1	C	14.396	0.000
103	1	11	ILE	N	N	120.060	0.000
104	1	12	THR	H	H	8.374	0.000
105	1	12	THR	HA	H	3.877	0.000
106	1	12	THR	HB	H	4.241	0.000
107	1	12	THR	HG21	H	1.231	0.000
108	1	12	THR	HG22	H	1.231	0.000
109	1	12	THR	HG23	H	1.231	0.000
110	1	12	THR	CA	C	66.774	0.000
111	1	12	THR	CB	C	68.770	0.000
112	1	12	THR	CG2	C	21.582	0.000
113	1	12	THR	N	N	115.685	0.000
114	1	13	LEU	H	H	8.025	0.000
115	1	13	LEU	HA	H	4.070	0.000
116	1	13	LEU	HB2	H	1.658	0.000
117	1	13	LEU	HB3	H	1.593	0.000
118	1	13	LEU	HD11	H	0.837	0.000
119	1	13	LEU	HD12	H	0.837	0.000
120	1	13	LEU	HD13	H	0.837	0.000
121	1	13	LEU	HD21	H	0.802	0.000
122	1	13	LEU	HD22	H	0.802	0.000
123	1	13	LEU	HD23	H	0.802	0.000
124	1	13	LEU	CA	C	57.795	0.000
125	1	13	LEU	CB	C	41.940	0.006
126	1	13	LEU	CD1	C	23.084	0.000
127	1	13	LEU	CD2	C	26.651	0.000
128	1	13	LEU	N	N	122.506	0.000
129	1	14	GLY	H	H	8.428	0.000
130	1	14	GLY	HA2	H	3.530	0.000
131	1	14	GLY	HA3	H	3.613	0.000
132	1	14	GLY	CA	C	47.471	0.018
133	1	14	GLY	N	N	105.225	0.000
134	1	15	GLN	H	H	8.142	0.000
135	1	15	GLN	HA	H	3.979	0.000
136	1	15	GLN	HB2	H	2.002	0.000
137	1	15	GLN	HB3	H	2.446	0.000
138	1	15	GLN	HG2	H	2.648	0.000
139	1	15	GLN	HG3	H	2.306	0.000
140	1	15	GLN	HE21	H	6.632	0.000
141	1	15	GLN	HE22	H	7.227	0.000
142	1	15	GLN	CA	C	59.350	0.000
143	1	15	GLN	CB	C	27.506	0.002
144	1	15	GLN	CG	C	33.767	0.012
145	1	15	GLN	N	N	119.971	0.000
146	1	15	GLN	NE2	N	110.806	0.000
147	1	16	VAL	H	H	8.620	0.000
148	1	16	VAL	HA	H	3.679	0.000
149	1	16	VAL	HB	H	2.362	0.000
150	1	16	VAL	HG11	H	0.937	0.000
151	1	16	VAL	HG12	H	0.937	0.000
152	1	16	VAL	HG13	H	0.937	0.000
153	1	16	VAL	HG21	H	1.067	0.000
154	1	16	VAL	HG22	H	1.067	0.000
155	1	16	VAL	HG23	H	1.067	0.000
156	1	16	VAL	CA	C	66.712	0.000
157	1	16	VAL	CB	C	31.665	0.000
158	1	16	VAL	CG1	C	20.765	0.000
159	1	16	VAL	CG2	C	23.224	0.000
160	1	16	VAL	N	N	123.221	0.000
161	1	17	ILE	H	H	8.406	0.000
162	1	17	ILE	HA	H	3.486	0.000
163	1	17	ILE	HB	H	2.015	0.000
164	1	17	ILE	HG12	H	0.794	0.000
165	1	17	ILE	HG13	H	1.774	0.000
166	1	17	ILE	HG21	H	0.700	0.000
167	1	17	ILE	HG22	H	0.700	0.000
168	1	17	ILE	HG23	H	0.700	0.000
169	1	17	ILE	HD11	H	0.835	0.000
170	1	17	ILE	HD12	H	0.835	0.000
171	1	17	ILE	HD13	H	0.835	0.000
172	1	17	ILE	CA	C	65.930	0.000
173	1	17	ILE	CB	C	38.123	0.000
174	1	17	ILE	CG1	C	30.117	0.010
175	1	17	ILE	CG2	C	16.848	0.000
176	1	17	ILE	CD1	C	16.187	0.000
177	1	17	ILE	N	N	121.422	0.000
178	1	18	HIS	H	H	8.167	0.000
179	1	18	HIS	HA	H	3.920	0.000
180	1	18	HIS	HB2	H	3.167	0.000
181	1	18	HIS	HB3	H	3.167	0.000
182	1	18	HIS	HD2	H	6.777	0.000
183	1	18	HIS	HE1	H	7.562	0.000
184	1	18	HIS	CA	C	61.312	0.000
185	1	18	HIS	CB	C	29.889	0.000
186	1	18	HIS	CD2	C	121.663	0.000
187	1	18	HIS	CE1	C	137.927	0.000
188	1	18	HIS	N	N	119.148	0.000
189	1	19	LYS	H	H	7.868	0.000
190	1	19	LYS	HA	H	3.654	0.000
191	1	19	LYS	HB2	H	1.929	0.000
192	1	19	LYS	HB3	H	1.929	0.000
193	1	19	LYS	HG2	H	1.369	0.000
194	1	19	LYS	HG3	H	1.486	0.000
195	1	19	LYS	HD2	H	1.657	0.000
196	1	19	LYS	HD3	H	1.657	0.000
197	1	19	LYS	HE2	H	2.950	0.000
198	1	19	LYS	HE3	H	2.950	0.000
199	1	19	LYS	CA	C	59.448	0.000
200	1	19	LYS	CB	C	32.167	0.000
201	1	19	LYS	CG	C	24.604	0.006
202	1	19	LYS	CD	C	29.092	0.000
203	1	19	LYS	CE	C	41.967	0.000
204	1	19	LYS	N	N	118.711	0.000
205	1	20	ARG	H	H	8.418	0.000
206	1	20	ARG	HA	H	3.961	0.000
207	1	20	ARG	HB2	H	1.935	0.000
208	1	20	ARG	HB3	H	1.935	0.000
209	1	20	ARG	HG2	H	1.707	0.000
210	1	20	ARG	HG3	H	1.894	0.000
211	1	20	ARG	HD2	H	3.063	0.000
212	1	20	ARG	HD3	H	3.212	0.000
213	1	20	ARG	CA	C	59.100	0.000
214	1	20	ARG	CB	C	30.217	0.000
215	1	20	ARG	CG	C	27.640	0.017
216	1	20	ARG	CD	C	43.416	0.000
217	1	20	ARG	N	N	117.885	0.000
218	1	21	CYS	H	H	8.556	0.000
219	1	21	CYS	HA	H	3.912	0.000
220	1	21	CYS	HB2	H	2.608	0.000
221	1	21	CYS	HB3	H	3.124	0.000
222	1	21	CYS	CA	C	65.940	0.000
223	1	21	CYS	CB	C	27.441	0.039
224	1	21	CYS	N	N	118.550	0.000
225	1	22	GLU	H	H	7.573	0.000
226	1	22	GLU	HA	H	3.813	0.000
227	1	22	GLU	HB2	H	1.928	0.000
228	1	22	GLU	HB3	H	2.013	0.000
229	1	22	GLU	HG2	H	1.933	0.000
230	1	22	GLU	HG3	H	1.933	0.000
231	1	22	GLU	CA	C	58.231	0.000
232	1	22	GLU	CB	C	30.012	0.007
233	1	22	GLU	CG	C	36.334	0.000
234	1	22	GLU	N	N	118.021	0.000
235	1	23	GLU	H	H	7.206	0.000
236	1	23	GLU	HA	H	4.232	0.000
237	1	23	GLU	HB2	H	1.960	0.000
238	1	23	GLU	HB3	H	2.117	0.000
239	1	23	GLU	HG2	H	2.217	0.000
240	1	23	GLU	HG3	H	2.444	0.000
241	1	23	GLU	CA	C	55.691	0.000
242	1	23	GLU	CB	C	30.340	0.013
243	1	23	GLU	CG	C	36.256	0.004
244	1	23	GLU	N	N	115.422	0.000
245	1	24	MET	H	H	6.977	0.000
246	1	24	MET	HA	H	4.275	0.000
247	1	24	MET	HB2	H	2.446	0.000
248	1	24	MET	HB3	H	2.446	0.000
249	1	24	MET	HG2	H	3.009	0.000
250	1	24	MET	HG3	H	2.929	0.000
251	1	24	MET	HE1	H	2.246	0.000
252	1	24	MET	HE2	H	2.246	0.000
253	1	24	MET	HE3	H	2.246	0.000
254	1	24	MET	CA	C	56.428	0.000
255	1	24	MET	CB	C	33.591	0.000
256	1	24	MET	CG	C	33.127	0.001
257	1	24	MET	CE	C	18.669	0.000
258	1	24	MET	N	N	120.660	0.000
259	1	25	LYS	H	H	8.835	0.000
260	1	25	LYS	HA	H	3.940	0.000
261	1	25	LYS	HB2	H	1.274	0.000
262	1	25	LYS	HB3	H	1.078	0.000
263	1	25	LYS	HG2	H	1.356	0.000
264	1	25	LYS	HG3	H	1.200	0.000
265	1	25	LYS	HD2	H	1.591	0.000
266	1	25	LYS	HD3	H	1.591	0.000
267	1	25	LYS	HE2	H	2.975	0.000
268	1	25	LYS	CA	C	57.153	0.000
269	1	25	LYS	CB	C	33.531	0.000
270	1	25	LYS	CG	C	25.146	0.012
271	1	25	LYS	CD	C	28.947	0.000
272	1	25	LYS	CE	C	41.741	0.000
273	1	25	LYS	N	N	120.630	0.000
274	1	26	TYR	H	H	7.341	0.000
275	1	26	TYR	HA	H	4.924	0.000
276	1	26	TYR	HB2	H	3.209	0.000
277	1	26	TYR	HB3	H	2.817	0.000
278	1	26	TYR	HD1	H	7.246	0.000
279	1	26	TYR	HD2	H	7.246	0.000
280	1	26	TYR	HE1	H	6.925	0.000
281	1	26	TYR	HE2	H	6.925	0.000
282	1	26	TYR	CA	C	54.967	0.000
283	1	26	TYR	CB	C	41.807	0.016
284	1	26	TYR	CD1	C	133.969	0.000
285	1	26	TYR	CD2	C	133.969	0.000
286	1	26	TYR	CE1	C	118.131	0.000
287	1	26	TYR	CE2	C	118.131	0.000
288	1	26	TYR	N	N	115.786	0.000
289	1	27	CYS	H	H	8.776	0.000
290	1	27	CYS	HA	H	3.733	0.000
291	1	27	CYS	HB2	H	2.918	0.000
292	1	27	CYS	HB3	H	2.836	0.000
293	1	27	CYS	CA	C	60.396	0.000
294	1	27	CYS	CB	C	25.870	0.007
295	1	27	CYS	N	N	114.041	0.000
296	1	28	LYS	H	H	8.123	0.000
297	1	28	LYS	HA	H	3.605	0.000
298	1	28	LYS	HB2	H	1.643	0.000
299	1	28	LYS	HB3	H	1.696	0.000
300	1	28	LYS	HG2	H	1.195	0.000
301	1	28	LYS	HG3	H	1.241	0.000
302	1	28	LYS	HE2	H	2.935	0.000
303	1	28	LYS	CA	C	60.631	0.000
304	1	28	LYS	CB	C	33.263	0.012
305	1	28	LYS	CG	C	25.856	0.004
306	1	28	LYS	CE	C	41.476	0.000
307	1	28	LYS	N	N	115.926	0.000
308	1	29	LYS	H	H	10.611	0.000
309	1	29	LYS	HA	H	4.001	0.000
310	1	29	LYS	HB2	H	1.734	0.000
311	1	29	LYS	HB3	H	2.160	0.000
312	1	29	LYS	HG2	H	1.471	0.000
313	1	29	LYS	HG3	H	1.471	0.000
314	1	29	LYS	HE2	H	3.250	0.000
315	1	29	LYS	HE3	H	3.250	0.000
316	1	29	LYS	CA	C	58.966	0.000
317	1	29	LYS	CB	C	30.208	0.014
318	1	29	LYS	CG	C	24.735	0.004
319	1	29	LYS	CE	C	43.577	0.000
320	1	29	LYS	N	N	120.889	0.000
321	1	30	GLN	H	H	9.935	0.000
322	1	30	GLN	HA	H	3.999	0.000
323	1	30	GLN	HE21	H	9.337	0.000
324	1	30	GLN	HE22	H	7.156	0.000
325	1	30	GLN	CA	C	59.320	0.000
326	1	30	GLN	N	N	120.547	0.000
327	1	30	GLN	NE2	N	112.120	0.007
328	1	31	CYS	H	H	8.585	0.000
329	1	31	CYS	HA	H	4.223	0.000
330	1	31	CYS	HB2	H	2.951	0.000
331	1	31	CYS	HB3	H	2.778	0.000
332	1	31	CYS	CA	C	64.406	0.000
333	1	31	CYS	CB	C	26.694	0.024
334	1	31	CYS	N	N	119.110	0.000
335	1	32	ARG	H	H	8.752	0.000
336	1	32	ARG	HA	H	3.884	0.000
337	1	32	ARG	HB2	H	1.818	0.000
338	1	32	ARG	HB3	H	1.497	0.000
339	1	32	ARG	CA	C	59.387	0.000
340	1	32	ARG	CB	C	28.494	0.011
341	1	32	ARG	N	N	119.190	0.000
342	1	33	ARG	H	H	7.835	0.000
343	1	33	ARG	HA	H	3.909	0.000
344	1	33	ARG	CA	C	58.235	0.000
345	1	33	ARG	N	N	119.864	0.000
346	1	34	LEU	H	H	7.329	0.000
347	1	34	LEU	HA	H	4.068	0.000
348	1	34	LEU	HB2	H	1.784	0.000
349	1	34	LEU	HB3	H	0.998	0.000
350	1	34	LEU	HG	H	0.978	0.000
351	1	34	LEU	HD11	H	-0.254	0.000
352	1	34	LEU	HD12	H	-0.254	0.000
353	1	34	LEU	HD13	H	-0.254	0.000
354	1	34	LEU	HD21	H	0.508	0.000
355	1	34	LEU	HD22	H	0.508	0.000
356	1	34	LEU	HD23	H	0.508	0.000
357	1	34	LEU	CA	C	58.383	0.000
358	1	34	LEU	CB	C	40.174	0.001
359	1	34	LEU	CG	C	27.033	0.000
360	1	34	LEU	CD1	C	25.041	0.000
361	1	34	LEU	CD2	C	22.524	0.000
362	1	34	LEU	N	N	120.726	0.000
363	1	35	GLY	H	H	8.001	0.000
364	1	35	GLY	HA2	H	3.456	0.000
365	1	35	GLY	HA3	H	4.075	0.000
366	1	35	GLY	CA	C	48.509	0.021
367	1	35	GLY	N	N	105.449	0.000
368	1	36	HIS	H	H	8.420	0.000
369	1	36	HIS	HA	H	4.229	0.000
370	1	36	HIS	HB2	H	3.128	0.000
371	1	36	HIS	HB3	H	3.186	0.000
372	1	36	HIS	HD2	H	6.956	0.000
373	1	36	HIS	HE1	H	7.807	0.000
374	1	36	HIS	CA	C	59.708	0.000
375	1	36	HIS	CB	C	30.616	0.002
376	1	36	HIS	CD2	C	119.278	0.000
377	1	36	HIS	CE1	C	138.093	0.000
378	1	36	HIS	N	N	120.900	0.000
379	1	37	ARG	H	H	8.678	0.000
380	1	37	ARG	HA	H	3.900	0.000
381	1	37	ARG	CA	C	59.485	0.000
382	1	37	ARG	N	N	122.033	0.000
383	1	38	VAL	H	H	8.542	0.000
384	1	38	VAL	HA	H	3.405	0.000
385	1	38	VAL	HB	H	2.136	0.000
386	1	38	VAL	HG11	H	0.902	0.000
387	1	38	VAL	HG12	H	0.902	0.000
388	1	38	VAL	HG13	H	0.902	0.000
389	1	38	VAL	HG21	H	0.869	0.000
390	1	38	VAL	HG22	H	0.869	0.000
391	1	38	VAL	HG23	H	0.869	0.000
392	1	38	VAL	CA	C	67.999	0.000
393	1	38	VAL	CB	C	31.247	0.000
394	1	38	VAL	CG1	C	22.779	0.000
395	1	38	VAL	CG2	C	23.883	0.000
396	1	38	VAL	N	N	118.947	0.000
397	1	39	LEU	H	H	8.032	0.000
398	1	39	LEU	HA	H	3.896	0.000
399	1	39	LEU	HB2	H	1.498	0.000
400	1	39	LEU	HB3	H	1.413	0.000
401	1	39	LEU	HG	H	1.502	0.000
402	1	39	LEU	HD11	H	0.288	0.000
403	1	39	LEU	HD12	H	0.288	0.000
404	1	39	LEU	HD13	H	0.288	0.000
405	1	39	LEU	HD21	H	0.361	0.000
406	1	39	LEU	HD22	H	0.361	0.000
407	1	39	LEU	HD23	H	0.361	0.000
408	1	39	LEU	CA	C	57.892	0.000
409	1	39	LEU	CB	C	41.448	0.005
410	1	39	LEU	CG	C	26.045	0.000
411	1	39	LEU	CD1	C	23.653	0.000
412	1	39	LEU	CD2	C	22.738	0.000
413	1	39	LEU	N	N	118.697	0.000
414	1	40	GLY	H	H	7.776	0.000
415	1	40	GLY	HA2	H	3.757	0.000
416	1	40	GLY	HA3	H	3.802	0.000
417	1	40	GLY	CA	C	46.571	0.003
418	1	40	GLY	N	N	104.745	0.000
419	1	41	LEU	H	H	7.699	0.000
420	1	41	LEU	HA	H	3.555	0.000
421	1	41	LEU	HB2	H	0.926	0.000
422	1	41	LEU	HB3	H	1.860	0.000
423	1	41	LEU	HG	H	1.849	0.000
424	1	41	LEU	HD11	H	-0.183	0.000
425	1	41	LEU	HD12	H	-0.183	0.000
426	1	41	LEU	HD13	H	-0.183	0.000
427	1	41	LEU	HD21	H	0.811	0.000
428	1	41	LEU	HD22	H	0.811	0.000
429	1	41	LEU	HD23	H	0.811	0.000
430	1	41	LEU	CA	C	56.417	0.000
431	1	41	LEU	CB	C	41.532	0.150
432	1	41	LEU	CG	C	25.546	0.000
433	1	41	LEU	CD1	C	20.523	0.000
434	1	41	LEU	CD2	C	26.096	0.000
435	1	41	LEU	N	N	120.767	0.000
436	1	42	ILE	H	H	7.592	0.000
437	1	42	ILE	HA	H	4.260	0.000
438	1	42	ILE	HB	H	2.157	0.000
439	1	42	ILE	HG12	H	1.501	0.000
440	1	42	ILE	HG13	H	1.748	0.000
441	1	42	ILE	HG21	H	1.090	0.000
442	1	42	ILE	HG22	H	1.090	0.000
443	1	42	ILE	HG23	H	1.090	0.000
444	1	42	ILE	HD11	H	0.945	0.000
445	1	42	ILE	HD12	H	0.945	0.000
446	1	42	ILE	HD13	H	0.945	0.000
447	1	42	ILE	CA	C	62.124	0.000
448	1	42	ILE	CB	C	38.312	0.000
449	1	42	ILE	CG1	C	27.798	0.003
450	1	42	ILE	CG2	C	19.035	0.000
451	1	42	ILE	CD1	C	14.006	0.000
452	1	42	ILE	N	N	108.684	0.000
453	1	43	LYS	H	H	7.699	0.000
454	1	43	LYS	HA	H	4.468	0.000
455	1	43	LYS	HB2	H	1.945	0.000
456	1	43	LYS	HB3	H	2.000	0.000
457	1	43	LYS	HG2	H	1.500	0.000
458	1	43	LYS	HG3	H	1.539	0.000
459	1	43	LYS	HD2	H	1.698	0.000
460	1	43	LYS	HD3	H	1.698	0.000
461	1	43	LYS	HE2	H	2.898	0.000
462	1	43	LYS	HE3	H	2.898	0.000
463	1	43	LYS	CA	C	60.606	0.000
464	1	43	LYS	CB	C	29.247	0.001
465	1	43	LYS	CG	C	24.849	0.003
466	1	43	LYS	CD	C	28.440	0.000
467	1	43	LYS	CE	C	41.834	0.000
468	1	43	LYS	N	N	123.061	0.000
469	1	44	PRO	HA	H	4.406	0.000
470	1	44	PRO	HB2	H	2.460	0.000
471	1	44	PRO	HB3	H	1.844	0.000
472	1	44	PRO	HG2	H	2.086	0.000
473	1	44	PRO	HG3	H	2.188	0.000
474	1	44	PRO	HD2	H	3.536	0.000
475	1	44	PRO	HD3	H	3.837	0.000
476	1	44	PRO	CA	C	65.675	0.000
477	1	44	PRO	CB	C	31.562	0.004
478	1	44	PRO	CG	C	28.392	0.038
479	1	44	PRO	CD	C	50.412	0.009
480	1	45	LEU	H	H	7.087	0.000
481	1	45	LEU	HA	H	4.076	0.000
482	1	45	LEU	HB2	H	1.452	0.000
483	1	45	LEU	HB3	H	2.264	0.000
484	1	45	LEU	HG	H	2.030	0.000
485	1	45	LEU	HD11	H	0.995	0.000
486	1	45	LEU	HD12	H	0.995	0.000
487	1	45	LEU	HD13	H	0.995	0.000
488	1	45	LEU	HD21	H	0.834	0.000
489	1	45	LEU	HD22	H	0.834	0.000
490	1	45	LEU	HD23	H	0.834	0.000
491	1	45	LEU	CA	C	57.291	0.000
492	1	45	LEU	CB	C	40.294	0.001
493	1	45	LEU	CG	C	27.204	0.000
494	1	45	LEU	CD1	C	26.180	0.000
495	1	45	LEU	CD2	C	23.273	0.000
496	1	45	LEU	N	N	114.812	0.000
497	1	46	GLU	H	H	8.249	0.000
498	1	46	GLU	HA	H	3.929	0.000
499	1	46	GLU	HB2	H	2.311	0.000
500	1	46	GLU	HB3	H	2.091	0.000
501	1	46	GLU	HG2	H	2.421	0.000
502	1	46	GLU	HG3	H	2.131	0.000
503	1	46	GLU	CA	C	59.520	0.000
504	1	46	GLU	CB	C	30.138	0.006
505	1	46	GLU	CG	C	37.853	0.003
506	1	46	GLU	N	N	119.479	0.000
507	1	47	MET	H	H	7.666	0.000
508	1	47	MET	HA	H	4.310	0.000
509	1	47	MET	HB2	H	2.190	0.000
510	1	47	MET	HB3	H	2.226	0.000
511	1	47	MET	HG2	H	2.750	0.000
512	1	47	MET	HG3	H	2.620	0.000
513	1	47	MET	HE1	H	2.105	0.000
514	1	47	MET	HE2	H	2.105	0.000
515	1	47	MET	HE3	H	2.105	0.000
516	1	47	MET	CA	C	57.533	0.000
517	1	47	MET	CB	C	32.331	0.008
518	1	47	MET	CG	C	32.091	0.002
519	1	47	MET	CE	C	16.911	0.000
520	1	47	MET	N	N	116.492	0.000
521	1	48	LEU	H	H	7.630	0.000
522	1	48	LEU	HA	H	4.206	0.000
523	1	48	LEU	HB2	H	1.709	0.000
524	1	48	LEU	HB3	H	1.887	0.000
525	1	48	LEU	HG	H	1.891	0.000
526	1	48	LEU	HD11	H	0.931	0.000
527	1	48	LEU	HD12	H	0.931	0.000
528	1	48	LEU	HD13	H	0.931	0.000
529	1	48	LEU	HD21	H	0.896	0.000
530	1	48	LEU	HD22	H	0.896	0.000
531	1	48	LEU	HD23	H	0.896	0.000
532	1	48	LEU	CA	C	56.580	0.000
533	1	48	LEU	CB	C	41.967	0.004
534	1	48	LEU	CG	C	26.692	0.000
535	1	48	LEU	CD1	C	26.314	0.000
536	1	48	LEU	CD2	C	23.940	0.000
537	1	48	LEU	N	N	120.011	0.000
538	1	49	GLN	H	H	8.017	0.000
539	1	49	GLN	HA	H	4.086	0.000
540	1	49	GLN	HB2	H	2.201	0.000
541	1	49	GLN	HB3	H	2.068	0.000
542	1	49	GLN	HG2	H	2.314	0.000
543	1	49	GLN	HG3	H	2.334	0.000
544	1	49	GLN	HE21	H	6.855	0.000
545	1	49	GLN	HE22	H	7.586	0.000
546	1	49	GLN	CA	C	58.075	0.000
547	1	49	GLN	CB	C	29.272	0.005
548	1	49	GLN	CG	C	34.484	0.004
549	1	49	GLN	N	N	119.579	0.000
550	1	49	GLN	NE2	N	110.606	0.002
551	1	50	ASP	H	H	8.158	0.000
552	1	50	ASP	HA	H	4.555	0.000
553	1	50	ASP	HB2	H	2.683	0.000
554	1	50	ASP	HB3	H	2.740	0.000
555	1	50	ASP	CA	C	55.249	0.000
556	1	50	ASP	CB	C	41.079	0.001
557	1	50	ASP	N	N	119.520	0.000
558	1	51	GLN	H	H	8.170	0.000
559	1	51	GLN	HA	H	4.234	0.000
560	1	51	GLN	HB2	H	2.077	0.000
561	1	51	GLN	HB3	H	2.213	0.000
562	1	51	GLN	HG2	H	2.466	0.000
563	1	51	GLN	HG3	H	2.376	0.000
564	1	51	GLN	HE21	H	6.915	0.000
565	1	51	GLN	HE22	H	7.577	0.000
566	1	51	GLN	CA	C	56.686	0.000
567	1	51	GLN	CB	C	29.010	0.032
568	1	51	GLN	CG	C	33.913	0.006
569	1	51	GLN	N	N	119.582	0.000
570	1	51	GLN	NE2	N	112.325	0.005
571	1	52	GLY	H	H	8.288	0.000
572	1	52	GLY	HA2	H	3.906	0.000
573	1	52	GLY	HA3	H	3.906	0.000
574	1	52	GLY	CA	C	45.865	0.000
575	1	52	GLY	N	N	108.109	0.000
576	1	53	LYS	H	H	8.178	0.000
577	1	53	LYS	HA	H	4.264	0.000
578	1	53	LYS	HB2	H	1.770	0.000
579	1	53	LYS	HB3	H	1.857	0.000
580	1	53	LYS	HG2	H	1.364	0.000
581	1	53	LYS	HG3	H	1.440	0.000
582	1	53	LYS	HD2	H	1.663	0.000
583	1	53	LYS	HD3	H	1.663	0.000
584	1	53	LYS	HE2	H	2.969	0.000
585	1	53	LYS	HE3	H	2.969	0.000
586	1	53	LYS	CA	C	56.425	0.000
587	1	53	LYS	CB	C	32.661	0.001
588	1	53	LYS	CG	C	24.884	0.000
589	1	53	LYS	CD	C	28.965	0.000
590	1	53	LYS	CE	C	41.942	0.000
591	1	53	LYS	N	N	119.921	0.000
592	1	54	ARG	H	H	8.243	0.000
593	1	54	ARG	HA	H	4.443	0.000
594	1	54	ARG	HB2	H	1.749	0.000
595	1	54	ARG	HB3	H	1.885	0.000
596	1	54	ARG	HG2	H	1.585	0.000
597	1	54	ARG	HG3	H	1.585	0.000
598	1	54	ARG	HD2	H	3.165	0.000
599	1	54	ARG	HD3	H	3.165	0.000
600	1	54	ARG	CA	C	55.684	0.000
601	1	54	ARG	CB	C	30.841	0.003
602	1	54	ARG	CG	C	27.238	0.000
603	1	54	ARG	CD	C	43.247	0.000
604	1	54	ARG	N	N	120.732	0.000
605	1	55	SER	H	H	8.168	0.000
606	1	55	SER	HA	H	4.486	0.000
607	1	55	SER	HB2	H	3.725	0.000
608	1	55	SER	HB3	H	3.777	0.000
609	1	55	SER	CA	C	57.597	0.000
610	1	55	SER	CB	C	64.258	0.000
611	1	55	SER	N	N	116.823	0.000
612	1	56	VAL	H	H	8.412	0.000
613	1	56	VAL	HA	H	3.979	0.000
614	1	56	VAL	HB	H	1.930	0.000
615	1	56	VAL	HG11	H	0.921	0.000
616	1	56	VAL	HG12	H	0.921	0.000
617	1	56	VAL	HG13	H	0.921	0.000
618	1	56	VAL	HG21	H	0.921	0.000
619	1	56	VAL	HG22	H	0.921	0.000
620	1	56	VAL	HG23	H	0.921	0.000
621	1	56	VAL	CA	C	60.351	0.000
622	1	56	VAL	CB	C	32.283	0.000
623	1	56	VAL	CG1	C	20.897	0.000
624	1	56	VAL	CG2	C	20.897	0.000
625	1	56	VAL	N	N	124.094	0.000
626	1	57	PRO	HA	H	4.328	0.000
627	1	57	PRO	HB2	H	1.840	0.000
628	1	57	PRO	HB3	H	1.893	0.000
629	1	57	PRO	CA	C	62.455	0.000
630	1	57	PRO	CB	C	32.759	0.000
631	1	58	SER	H	H	9.018	0.000
632	1	58	SER	HA	H	4.367	0.000
633	1	58	SER	HB2	H	4.091	0.000
634	1	58	SER	HB3	H	4.337	0.000
635	1	58	SER	CA	C	58.226	0.000
636	1	58	SER	CB	C	64.070	0.009
637	1	58	SER	N	N	119.830	0.000
638	1	59	GLU	HA	H	4.202	0.000
639	1	59	GLU	HB2	H	2.131	0.000
640	1	59	GLU	HB3	H	2.031	0.000
641	1	59	GLU	HG2	H	2.306	0.000
642	1	59	GLU	HG3	H	2.403	0.000
643	1	59	GLU	CA	C	59.869	0.000
644	1	59	GLU	CB	C	29.246	0.016
645	1	59	GLU	CG	C	36.375	0.002
646	1	60	LYS	H	H	8.444	0.000
647	1	60	LYS	HA	H	4.031	0.000
648	1	60	LYS	HB2	H	1.896	0.000
649	1	60	LYS	HB3	H	1.793	0.000
650	1	60	LYS	HG2	H	1.493	0.000
651	1	60	LYS	HG3	H	1.650	0.000
652	1	60	LYS	HD2	H	1.724	0.000
653	1	60	LYS	HD3	H	1.724	0.000
654	1	60	LYS	HE2	H	2.999	0.000
655	1	60	LYS	HE3	H	2.999	0.000
656	1	60	LYS	CA	C	59.856	0.000
657	1	60	LYS	CB	C	32.690	0.003
658	1	60	LYS	CG	C	25.850	0.004
659	1	60	LYS	CD	C	29.196	0.000
660	1	60	LYS	CE	C	41.781	0.000
661	1	60	LYS	N	N	119.472	0.000
662	1	61	LEU	H	H	8.446	0.000
663	1	61	LEU	HA	H	4.226	0.000
664	1	61	LEU	HB2	H	1.626	0.000
665	1	61	LEU	HB3	H	2.118	0.000
666	1	61	LEU	HG	H	1.766	0.000
667	1	61	LEU	HD11	H	0.987	0.000
668	1	61	LEU	HD12	H	0.987	0.000
669	1	61	LEU	HD13	H	0.987	0.000
670	1	61	LEU	HD21	H	1.117	0.000
671	1	61	LEU	HD22	H	1.117	0.000
672	1	61	LEU	HD23	H	1.117	0.000
673	1	61	LEU	CA	C	58.030	0.000
674	1	61	LEU	CB	C	40.436	0.001
675	1	61	LEU	CG	C	27.986	0.000
676	1	61	LEU	CD1	C	24.346	0.000
677	1	61	LEU	CD2	C	27.796	0.000
678	1	61	LEU	N	N	123.061	0.000
679	1	62	THR	H	H	8.845	0.000
680	1	62	THR	HA	H	4.442	0.000
681	1	62	THR	HB	H	4.453	0.000
682	1	62	THR	HG21	H	1.207	0.000
683	1	62	THR	HG22	H	1.207	0.000
684	1	62	THR	HG23	H	1.207	0.000
685	1	62	THR	CA	C	66.700	0.000
686	1	62	THR	CB	C	68.857	0.000
687	1	62	THR	CG2	C	21.420	0.000
688	1	62	THR	N	N	119.368	0.000
689	1	63	THR	H	H	8.511	0.000
690	1	63	THR	HA	H	3.960	0.000
691	1	63	THR	HB	H	4.273	0.000
692	1	63	THR	HG21	H	1.268	0.000
693	1	63	THR	HG22	H	1.268	0.000
694	1	63	THR	HG23	H	1.268	0.000
695	1	63	THR	CA	C	67.100	0.000
696	1	63	THR	CB	C	68.504	0.000
697	1	63	THR	CG2	C	21.646	0.000
698	1	63	THR	N	N	118.438	0.000
699	1	64	ALA	H	H	8.005	0.000
700	1	64	ALA	HA	H	4.155	0.000
701	1	64	ALA	HB1	H	1.451	0.000
702	1	64	ALA	HB2	H	1.451	0.000
703	1	64	ALA	HB3	H	1.451	0.000
704	1	64	ALA	CA	C	55.630	0.000
705	1	64	ALA	CB	C	18.763	0.000
706	1	64	ALA	N	N	124.803	0.000
707	1	65	MET	H	H	9.137	0.000
708	1	65	MET	HA	H	4.306	0.000
709	1	65	MET	HE1	H	1.594	0.000
710	1	65	MET	HE2	H	1.594	0.000
711	1	65	MET	HE3	H	1.594	0.000
712	1	65	MET	CA	C	58.271	0.000
713	1	65	MET	CE	C	17.250	0.000
714	1	65	MET	N	N	120.082	0.000
715	1	66	ASN	H	H	8.723	0.000
716	1	66	ASN	HA	H	4.615	0.000
717	1	66	ASN	HB2	H	3.147	0.000
718	1	66	ASN	HB3	H	2.815	0.000
719	1	66	ASN	HD21	H	6.919	0.000
720	1	66	ASN	HD22	H	7.650	0.000
721	1	66	ASN	CA	C	55.738	0.000
722	1	66	ASN	CB	C	37.059	0.004
723	1	66	ASN	N	N	120.048	0.000
724	1	66	ASN	ND2	N	111.897	0.002
725	1	67	ARG	H	H	8.346	0.000
726	1	67	ARG	HA	H	4.226	0.000
727	1	67	ARG	HB2	H	2.013	0.000
728	1	67	ARG	HB3	H	2.156	0.000
729	1	67	ARG	HG2	H	1.743	0.000
730	1	67	ARG	HG3	H	2.012	0.000
731	1	67	ARG	HD2	H	3.270	0.000
732	1	67	ARG	HD3	H	3.270	0.000
733	1	67	ARG	CA	C	59.745	0.000
734	1	67	ARG	CB	C	30.568	0.011
735	1	67	ARG	CG	C	28.185	0.037
736	1	67	ARG	CD	C	43.813	0.000
737	1	67	ARG	N	N	123.113	0.000
738	1	68	PHE	H	H	8.516	0.000
739	1	68	PHE	HA	H	4.523	0.000
740	1	68	PHE	HB2	H	3.251	0.000
741	1	68	PHE	HB3	H	3.520	0.000
742	1	68	PHE	HD1	H	7.242	0.000
743	1	68	PHE	HD2	H	7.242	0.000
744	1	68	PHE	CA	C	60.416	0.000
745	1	68	PHE	CB	C	39.334	0.012
746	1	68	PHE	CD1	C	131.273	0.000
747	1	68	PHE	CD2	C	131.273	0.000
748	1	68	PHE	N	N	123.639	0.000
749	1	69	LYS	H	H	8.852	0.000
750	1	69	LYS	HA	H	3.588	0.000
751	1	69	LYS	HB2	H	1.849	0.000
752	1	69	LYS	HB3	H	2.139	0.000
753	1	69	LYS	HG2	H	1.216	0.000
754	1	69	LYS	HG3	H	1.380	0.000
755	1	69	LYS	HE2	H	2.877	0.000
756	1	69	LYS	HE3	H	2.877	0.000
757	1	69	LYS	CA	C	60.648	0.000
758	1	69	LYS	CB	C	32.369	0.035
759	1	69	LYS	CG	C	24.900	0.008
760	1	69	LYS	CE	C	41.830	0.000
761	1	69	LYS	N	N	120.304	0.000
762	1	70	ALA	H	H	7.999	0.000
763	1	70	ALA	HA	H	4.270	0.000
764	1	70	ALA	HB1	H	1.551	0.000
765	1	70	ALA	HB2	H	1.551	0.000
766	1	70	ALA	HB3	H	1.551	0.000
767	1	70	ALA	CA	C	54.872	0.000
768	1	70	ALA	CB	C	17.797	0.000
769	1	70	ALA	N	N	118.898	0.000
770	1	71	ALA	H	H	7.995	0.000
771	1	71	ALA	HA	H	4.206	0.000
772	1	71	ALA	HB1	H	1.551	0.000
773	1	71	ALA	HB2	H	1.551	0.000
774	1	71	ALA	HB3	H	1.551	0.000
775	1	71	ALA	CA	C	55.235	0.000
776	1	71	ALA	CB	C	17.640	0.000
777	1	71	ALA	N	N	122.497	0.000
778	1	72	LEU	H	H	8.123	0.000
779	1	72	LEU	HA	H	3.858	0.000
780	1	72	LEU	HB2	H	1.045	0.000
781	1	72	LEU	HB3	H	1.991	0.000
782	1	72	LEU	HG	H	1.115	0.000
783	1	72	LEU	HD11	H	0.319	0.000
784	1	72	LEU	HD12	H	0.319	0.000
785	1	72	LEU	HD13	H	0.319	0.000
786	1	72	LEU	HD21	H	0.490	0.000
787	1	72	LEU	HD22	H	0.490	0.000
788	1	72	LEU	HD23	H	0.490	0.000
789	1	72	LEU	CA	C	57.692	0.000
790	1	72	LEU	CB	C	41.247	0.010
791	1	72	LEU	CG	C	25.912	0.000
792	1	72	LEU	CD1	C	26.753	0.000
793	1	72	LEU	CD2	C	23.115	0.000
794	1	72	LEU	N	N	119.007	0.000
795	1	73	GLU	H	H	8.641	0.000
796	1	73	GLU	HA	H	3.941	0.000
797	1	73	GLU	HB2	H	1.979	0.000
798	1	73	GLU	HB3	H	2.213	0.000
799	1	73	GLU	HG2	H	2.498	0.000
800	1	73	GLU	HG3	H	2.185	0.000
801	1	73	GLU	CA	C	59.856	0.000
802	1	73	GLU	CB	C	28.963	0.007
803	1	73	GLU	CG	C	37.255	0.004
804	1	73	GLU	N	N	120.226	0.000
805	1	74	GLU	H	H	8.359	0.000
806	1	74	GLU	HA	H	4.073	0.000
807	1	74	GLU	HB2	H	2.211	0.000
808	1	74	GLU	HB3	H	2.100	0.000
809	1	74	GLU	HG2	H	2.454	0.000
810	1	74	GLU	HG3	H	2.089	0.000
811	1	74	GLU	CA	C	59.555	0.000
812	1	74	GLU	CB	C	29.339	0.009
813	1	74	GLU	CG	C	36.361	0.013
814	1	74	GLU	N	N	122.465	0.000
815	1	75	ALA	H	H	8.443	0.000
816	1	75	ALA	HA	H	3.894	0.000
817	1	75	ALA	HB1	H	1.431	0.000
818	1	75	ALA	HB2	H	1.431	0.000
819	1	75	ALA	HB3	H	1.431	0.000
820	1	75	ALA	CA	C	55.878	0.000
821	1	75	ALA	CB	C	17.027	0.000
822	1	75	ALA	N	N	123.050	0.000
823	1	76	ASN	H	H	8.525	0.000
824	1	76	ASN	HA	H	4.473	0.000
825	1	76	ASN	HB2	H	2.922	0.000
826	1	76	ASN	HB3	H	2.536	0.000
827	1	76	ASN	HD21	H	6.438	0.000
828	1	76	ASN	HD22	H	7.534	0.000
829	1	76	ASN	CA	C	56.177	0.000
830	1	76	ASN	CB	C	38.727	0.001
831	1	76	ASN	N	N	115.776	0.000
832	1	76	ASN	ND2	N	110.277	0.003
833	1	77	GLY	H	H	8.086	0.000
834	1	77	GLY	HA2	H	4.017	0.000
835	1	77	GLY	HA3	H	3.898	0.000
836	1	77	GLY	CA	C	46.925	0.009
837	1	77	GLY	N	N	105.503	0.000
838	1	78	GLU	H	H	8.139	0.000
839	1	78	GLU	HA	H	4.144	0.000
840	1	78	GLU	HB2	H	2.297	0.000
841	1	78	GLU	HB3	H	2.463	0.000
842	1	78	GLU	CA	C	58.622	0.000
843	1	78	GLU	CB	C	29.741	0.014
844	1	78	GLU	N	N	123.588	0.000
845	1	79	ILE	H	H	8.403	0.000
846	1	79	ILE	HA	H	3.833	0.000
847	1	79	ILE	HB	H	2.060	0.000
848	1	79	ILE	HG12	H	1.072	0.000
849	1	79	ILE	HG13	H	1.598	0.000
850	1	79	ILE	HG21	H	0.929	0.000
851	1	79	ILE	HG22	H	0.929	0.000
852	1	79	ILE	HG23	H	0.929	0.000
853	1	79	ILE	HD11	H	0.791	0.000
854	1	79	ILE	HD12	H	0.791	0.000
855	1	79	ILE	HD13	H	0.791	0.000
856	1	79	ILE	CA	C	65.516	0.000
857	1	79	ILE	CB	C	37.819	0.000
858	1	79	ILE	CG1	C	28.943	0.020
859	1	79	ILE	CG2	C	17.845	0.000
860	1	79	ILE	CD1	C	16.823	0.000
861	1	79	ILE	N	N	120.493	0.000
862	1	80	GLU	H	H	7.881	0.000
863	1	80	GLU	HA	H	3.940	0.000
864	1	80	GLU	HB2	H	2.100	0.000
865	1	80	GLU	HB3	H	2.276	0.000
866	1	80	GLU	HG2	H	2.257	0.000
867	1	80	GLU	HG3	H	2.257	0.000
868	1	80	GLU	CA	C	59.711	0.000
869	1	80	GLU	CB	C	29.415	0.004
870	1	80	GLU	CG	C	35.480	0.000
871	1	80	GLU	N	N	119.524	0.000
872	1	81	LYS	H	H	7.758	0.000
873	1	81	LYS	HA	H	3.918	0.000
874	1	81	LYS	HB2	H	1.526	0.000
875	1	81	LYS	HB3	H	1.631	0.000
876	1	81	LYS	HG2	H	1.229	0.000
877	1	81	LYS	HG3	H	1.418	0.000
878	1	81	LYS	HD2	H	1.350	0.000
879	1	81	LYS	HD3	H	1.235	0.000
880	1	81	LYS	HE2	H	2.492	0.000
881	1	81	LYS	HE3	H	2.324	0.000
882	1	81	LYS	CA	C	59.788	0.000
883	1	81	LYS	CB	C	32.148	0.005
884	1	81	LYS	CG	C	24.147	0.021
885	1	81	LYS	CD	C	29.187	0.001
886	1	81	LYS	CE	C	41.062	0.000
887	1	81	LYS	N	N	121.666	0.000
888	1	82	PHE	H	H	8.248	0.000
889	1	82	PHE	HA	H	4.691	0.000
890	1	82	PHE	HB2	H	2.752	0.000
891	1	82	PHE	HB3	H	3.365	0.000
892	1	82	PHE	HD1	H	6.804	0.000
893	1	82	PHE	HD2	H	6.804	0.000
894	1	82	PHE	HE1	H	7.098	0.000
895	1	82	PHE	HE2	H	7.098	0.000
896	1	82	PHE	CA	C	58.395	0.000
897	1	82	PHE	CB	C	36.613	0.015
898	1	82	PHE	CD1	C	130.513	0.000
899	1	82	PHE	CD2	C	130.513	0.000
900	1	82	PHE	CE1	C	133.602	0.000
901	1	82	PHE	CE2	C	133.602	0.000
902	1	82	PHE	N	N	115.917	0.000
903	1	83	SER	H	H	7.698	0.000
904	1	83	SER	HA	H	4.527	0.000
905	1	83	SER	HB2	H	4.090	0.000
906	1	83	SER	HB3	H	4.138	0.000
907	1	83	SER	CA	C	60.444	0.000
908	1	83	SER	CB	C	63.419	0.007
909	1	83	SER	N	N	113.348	0.000
910	1	84	ASN	H	H	7.318	0.000
911	1	84	ASN	HA	H	4.999	0.000
912	1	84	ASN	HB2	H	2.882	0.000
913	1	84	ASN	HB3	H	3.043	0.000
914	1	84	ASN	HD21	H	7.086	0.000
915	1	84	ASN	HD22	H	7.742	0.000
916	1	84	ASN	CA	C	52.082	0.000
917	1	84	ASN	CB	C	40.213	0.005
918	1	84	ASN	N	N	119.512	0.000
919	1	84	ASN	ND2	N	113.682	0.012
920	1	86	SER	H	H	8.451	0.000
921	1	86	SER	HA	H	4.212	0.000
922	1	86	SER	HB2	H	3.942	0.000
923	1	86	SER	HB3	H	3.942	0.000
924	1	86	SER	CA	C	61.935	0.000
925	1	86	SER	CB	C	62.242	0.000
926	1	86	SER	N	N	114.759	0.000
927	1	87	ASN	H	H	8.023	0.000
928	1	87	ASN	HA	H	4.609	0.000
929	1	87	ASN	HB2	H	2.609	0.000
930	1	87	ASN	HB3	H	3.299	0.000
931	1	87	ASN	HD21	H	7.230	0.000
932	1	87	ASN	HD22	H	8.293	0.000
933	1	87	ASN	CA	C	55.288	0.000
934	1	87	ASN	CB	C	37.370	0.008
935	1	87	ASN	N	N	119.728	0.000
936	1	87	ASN	ND2	N	113.374	0.004
937	1	88	ILE	H	H	7.780	0.000
938	1	88	ILE	HA	H	3.842	0.000
939	1	88	ILE	HB	H	2.025	0.000
940	1	88	ILE	HG12	H	0.994	0.000
941	1	88	ILE	HG13	H	1.549	0.000
942	1	88	ILE	HG21	H	0.432	0.000
943	1	88	ILE	HG22	H	0.432	0.000
944	1	88	ILE	HG23	H	0.432	0.000
945	1	88	ILE	HD11	H	0.860	0.000
946	1	88	ILE	HD12	H	0.860	0.000
947	1	88	ILE	HD13	H	0.860	0.000
948	1	88	ILE	CA	C	64.784	0.000
949	1	88	ILE	CB	C	37.137	0.000
950	1	88	ILE	CG1	C	28.974	0.008
951	1	88	ILE	CG2	C	17.977	0.000
952	1	88	ILE	CD1	C	13.962	0.000
953	1	88	ILE	N	N	122.362	0.000
954	1	89	CYS	H	H	8.380	0.000
955	1	89	CYS	HA	H	3.958	0.000
956	1	89	CYS	HB2	H	3.083	0.000
957	1	89	CYS	HB3	H	3.083	0.000
958	1	89	CYS	CA	C	63.786	0.000
959	1	89	CYS	CB	C	26.676	0.000
960	1	89	CYS	N	N	119.491	0.000
961	1	90	ARG	H	H	7.952	0.000
962	1	90	ARG	HA	H	4.034	0.000
963	1	90	ARG	HB2	H	1.972	0.000
964	1	90	ARG	HB3	H	1.972	0.000
965	1	90	ARG	HG2	H	1.827	0.000
966	1	90	ARG	HG3	H	1.656	0.000
967	1	90	ARG	HD2	H	3.168	0.000
968	1	90	ARG	HD3	H	3.218	0.000
969	1	90	ARG	CA	C	59.506	0.000
970	1	90	ARG	CB	C	30.272	0.000
971	1	90	ARG	CG	C	27.784	0.028
972	1	90	ARG	CD	C	43.314	0.003
973	1	90	ARG	N	N	119.126	0.000
974	1	91	PHE	H	H	7.797	0.000
975	1	91	PHE	HA	H	4.240	0.000
976	1	91	PHE	HB2	H	3.084	0.000
977	1	91	PHE	HB3	H	3.394	0.000
978	1	91	PHE	HD1	H	7.032	0.000
979	1	91	PHE	HD2	H	7.032	0.000
980	1	91	PHE	CA	C	61.432	0.000
981	1	91	PHE	CB	C	39.686	0.013
982	1	91	PHE	CD1	C	132.235	0.000
983	1	91	PHE	CD2	C	132.235	0.000
984	1	91	PHE	N	N	120.438	0.000
985	1	92	LEU	H	H	8.700	0.000
986	1	92	LEU	HA	H	3.655	0.000
987	1	92	LEU	HB2	H	1.207	0.000
988	1	92	LEU	HB3	H	1.728	0.000
989	1	92	LEU	HG	H	1.692	0.000
990	1	92	LEU	HD11	H	0.386	0.000
991	1	92	LEU	HD12	H	0.386	0.000
992	1	92	LEU	HD13	H	0.386	0.000
993	1	92	LEU	HD21	H	0.747	0.000
994	1	92	LEU	HD22	H	0.747	0.000
995	1	92	LEU	HD23	H	0.747	0.000
996	1	92	LEU	CA	C	57.368	0.000
997	1	92	LEU	CB	C	41.639	0.054
998	1	92	LEU	CG	C	26.877	0.000
999	1	92	LEU	CD1	C	26.403	0.000
1000	1	92	LEU	CD2	C	22.747	0.000
1001	1	92	LEU	N	N	118.334	0.000
1002	1	93	THR	H	H	7.760	0.000
1003	1	93	THR	HA	H	3.973	0.000
1004	1	93	THR	HB	H	4.192	0.000
1005	1	93	THR	HG21	H	1.244	0.000
1006	1	93	THR	HG22	H	1.244	0.000
1007	1	93	THR	HG23	H	1.244	0.000
1008	1	93	THR	CA	C	65.298	0.000
1009	1	93	THR	CB	C	69.163	0.000
1010	1	93	THR	CG2	C	21.409	0.000
1011	1	93	THR	N	N	112.368	0.000
1012	1	94	ALA	H	H	7.209	0.000
1013	1	94	ALA	HA	H	4.276	0.000
1014	1	94	ALA	HB1	H	1.351	0.000
1015	1	94	ALA	HB2	H	1.351	0.000
1016	1	94	ALA	HB3	H	1.351	0.000
1017	1	94	ALA	CA	C	52.848	0.000
1018	1	94	ALA	CB	C	19.843	0.000
1019	1	94	ALA	N	N	122.299	0.000
1020	1	95	SER	H	H	7.535	0.000
1021	1	95	SER	HA	H	4.134	0.000
1022	1	95	SER	HB2	H	3.036	0.000
1023	1	95	SER	HB3	H	3.083	0.000
1024	1	95	SER	CA	C	57.474	0.000
1025	1	95	SER	CB	C	63.928	0.008
1026	1	95	SER	N	N	113.103	0.000
1027	1	96	GLN	HA	H	4.222	0.000
1028	1	96	GLN	HB2	H	2.049	0.000
1029	1	96	GLN	HB3	H	2.100	0.000
1030	1	96	GLN	HG2	H	2.409	0.000
1031	1	96	GLN	HG3	H	2.409	0.000
1032	1	96	GLN	HE21	H	6.865	0.000
1033	1	96	GLN	HE22	H	7.533	0.000
1034	1	96	GLN	CA	C	57.722	0.000
1035	1	96	GLN	CB	C	28.946	0.003
1036	1	96	GLN	CG	C	33.904	0.000
1037	1	96	GLN	NE2	N	112.914	0.008
1038	1	97	ASP	H	H	7.850	0.000
1039	1	97	ASP	HA	H	4.568	0.000
1040	1	97	ASP	HB2	H	2.574	0.000
1041	1	97	ASP	HB3	H	2.871	0.000
1042	1	97	ASP	CA	C	53.973	0.000
1043	1	97	ASP	CB	C	41.570	0.002
1044	1	97	ASP	N	N	116.594	0.000
1045	1	99	ILE	HA	H	4.355	0.000
1046	1	99	ILE	HB	H	1.688	0.000
1047	1	99	ILE	HG12	H	0.722	0.000
1048	1	99	ILE	HG13	H	1.515	0.000
1049	1	99	ILE	HG21	H	0.959	0.000
1050	1	99	ILE	HG22	H	0.959	0.000
1051	1	99	ILE	HG23	H	0.959	0.000
1052	1	99	ILE	HD11	H	0.812	0.000
1053	1	99	ILE	HD12	H	0.812	0.000
1054	1	99	ILE	HD13	H	0.812	0.000
1055	1	99	ILE	CA	C	60.865	0.000
1056	1	99	ILE	CB	C	37.875	0.000
1057	1	99	ILE	CG1	C	27.495	0.017
1058	1	99	ILE	CG2	C	18.959	0.000
1059	1	99	ILE	CD1	C	13.519	0.000
1060	1	100	LEU	H	H	8.665	0.000
1061	1	100	LEU	HA	H	3.112	0.000
1062	1	100	LEU	HB2	H	0.503	0.000
1063	1	100	LEU	HB3	H	0.200	0.000
1064	1	100	LEU	HG	H	0.109	0.000
1065	1	100	LEU	HD11	H	-0.396	0.000
1066	1	100	LEU	HD12	H	-0.396	0.000
1067	1	100	LEU	HD13	H	-0.396	0.000
1068	1	100	LEU	HD21	H	-0.247	0.000
1069	1	100	LEU	HD22	H	-0.247	0.000
1070	1	100	LEU	HD23	H	-0.247	0.000
1071	1	100	LEU	CA	C	57.894	0.000
1072	1	100	LEU	CB	C	42.962	0.001
1073	1	100	LEU	CG	C	26.077	0.000
1074	1	100	LEU	CD1	C	23.252	0.000
1075	1	100	LEU	CD2	C	24.208	0.000
1076	1	100	LEU	N	N	131.315	0.000
1077	1	101	PHE	H	H	8.528	0.000
1078	1	101	PHE	HA	H	5.101	0.000
1079	1	101	PHE	HB2	H	2.654	0.000
1080	1	101	PHE	HB3	H	3.415	0.000
1081	1	101	PHE	HD1	H	7.125	0.000
1082	1	101	PHE	HD2	H	7.125	0.000
1083	1	101	PHE	CA	C	55.554	0.000
1084	1	101	PHE	CB	C	37.568	0.029
1085	1	101	PHE	CD1	C	129.790	0.000
1086	1	101	PHE	CD2	C	129.790	0.000
1087	1	101	PHE	N	N	113.837	0.000
1088	1	102	LYS	H	H	6.799	0.000
1089	1	102	LYS	HA	H	3.876	0.000
1090	1	102	LYS	HB2	H	1.829	0.000
1091	1	102	LYS	HB3	H	1.880	0.000
1092	1	102	LYS	HG2	H	1.636	0.000
1093	1	102	LYS	HG3	H	1.392	0.000
1094	1	102	LYS	HD2	H	1.826	0.000
1095	1	102	LYS	HD3	H	1.864	0.000
1096	1	102	LYS	HE2	H	3.101	0.000
1097	1	102	LYS	HE3	H	3.101	0.000
1098	1	102	LYS	CA	C	61.084	0.000
1099	1	102	LYS	CB	C	33.484	0.007
1100	1	102	LYS	CG	C	24.205	0.006
1101	1	102	LYS	CD	C	29.544	0.001
1102	1	102	LYS	CE	C	41.743	0.000
1103	1	102	LYS	N	N	119.569	0.000
1104	1	103	ASP	H	H	8.585	0.000
1105	1	103	ASP	HA	H	4.627	0.000
1106	1	103	ASP	HB2	H	2.704	0.000
1107	1	103	ASP	HB3	H	2.795	0.000
1108	1	103	ASP	CA	C	57.785	0.000
1109	1	103	ASP	CB	C	40.325	0.004
1110	1	103	ASP	N	N	117.895	0.000
1111	1	104	VAL	H	H	8.330	0.000
1112	1	104	VAL	HA	H	3.880	0.000
1113	1	104	VAL	HB	H	2.186	0.000
1114	1	104	VAL	HG11	H	1.135	0.000
1115	1	104	VAL	HG12	H	1.135	0.000
1116	1	104	VAL	HG13	H	1.135	0.000
1117	1	104	VAL	HG21	H	0.989	0.000
1118	1	104	VAL	HG22	H	0.989	0.000
1119	1	104	VAL	HG23	H	0.989	0.000
1120	1	104	VAL	CA	C	65.724	0.000
1121	1	104	VAL	CB	C	32.133	0.000
1122	1	104	VAL	CG1	C	23.564	0.000
1123	1	104	VAL	CG2	C	21.361	0.000
1124	1	104	VAL	N	N	122.938	0.000
1125	1	105	ASN	H	H	9.100	0.000
1126	1	105	ASN	HA	H	4.580	0.000
1127	1	105	ASN	HB2	H	2.916	0.000
1128	1	105	ASN	HB3	H	3.016	0.000
1129	1	105	ASN	HD21	H	7.843	0.000
1130	1	105	ASN	HD22	H	5.611	0.000
1131	1	105	ASN	CA	C	56.165	0.000
1132	1	105	ASN	CB	C	37.837	0.026
1133	1	105	ASN	N	N	121.351	0.000
1134	1	105	ASN	ND2	N	106.041	0.026
1135	1	106	ARG	H	H	7.701	0.000
1136	1	106	ARG	HA	H	4.174	0.000
1137	1	106	ARG	HB2	H	2.064	0.000
1138	1	106	ARG	HB3	H	2.168	0.000
1139	1	106	ARG	HG2	H	1.764	0.000
1140	1	106	ARG	HG3	H	1.764	0.000
1141	1	106	ARG	HD2	H	3.271	0.000
1142	1	106	ARG	HD3	H	3.349	0.000
1143	1	106	ARG	CA	C	58.944	0.000
1144	1	106	ARG	CB	C	29.626	0.001
1145	1	106	ARG	CG	C	26.877	0.000
1146	1	106	ARG	CD	C	43.022	0.002
1147	1	106	ARG	N	N	120.871	0.000
1148	1	107	LYS	HA	H	4.203	0.000
1149	1	107	LYS	HB2	H	1.950	0.000
1150	1	107	LYS	HB3	H	2.058	0.000
1151	1	107	LYS	HG2	H	1.513	0.000
1152	1	107	LYS	HG3	H	1.689	0.000
1153	1	107	LYS	HD3	H	1.820	0.000
1154	1	107	LYS	HE2	H	2.931	0.000
1155	1	107	LYS	HE3	H	2.931	0.000
1156	1	107	LYS	CA	C	60.137	0.000
1157	1	107	LYS	CB	C	32.399	0.006
1158	1	107	LYS	CG	C	25.847	0.007
1159	1	107	LYS	CD	C	29.017	0.000
1160	1	107	LYS	CE	C	41.635	0.000
1161	1	108	LEU	H	H	9.050	0.000
1162	1	108	LEU	HA	H	4.097	0.000
1163	1	108	LEU	HB2	H	1.566	0.000
1164	1	108	LEU	HB3	H	2.289	0.000
1165	1	108	LEU	HG	H	1.923	0.000
1166	1	108	LEU	HD11	H	0.757	0.000
1167	1	108	LEU	HD12	H	0.757	0.000
1168	1	108	LEU	HD13	H	0.757	0.000
1169	1	108	LEU	HD21	H	0.771	0.000
1170	1	108	LEU	HD22	H	0.771	0.000
1171	1	108	LEU	HD23	H	0.771	0.000
1172	1	108	LEU	CA	C	58.427	0.000
1173	1	108	LEU	CB	C	42.523	0.002
1174	1	108	LEU	CG	C	27.026	0.000
1175	1	108	LEU	CD1	C	25.680	0.000
1176	1	108	LEU	CD2	C	23.900	0.000
1177	1	108	LEU	N	N	118.569	0.000
1178	1	109	SER	H	H	8.062	0.000
1179	1	109	SER	HA	H	3.840	0.000
1180	1	109	SER	HB2	H	3.692	0.000
1181	1	109	SER	HB3	H	3.801	0.000
1182	1	109	SER	CA	C	61.346	0.000
1183	1	109	SER	CB	C	62.622	0.003
1184	1	109	SER	N	N	111.929	0.000
1185	1	110	ASP	H	H	8.531	0.000
1186	1	110	ASP	HA	H	4.448	0.000
1187	1	110	ASP	HB2	H	2.960	0.000
1188	1	110	ASP	HB3	H	2.713	0.000
1189	1	110	ASP	CA	C	57.806	0.000
1190	1	110	ASP	CB	C	40.545	0.008
1191	1	110	ASP	N	N	121.926	0.000
1192	1	111	VAL	H	H	8.883	0.000
1193	1	111	VAL	HA	H	4.062	0.000
1194	1	111	VAL	HB	H	2.357	0.000
1195	1	111	VAL	HG11	H	1.180	0.000
1196	1	111	VAL	HG12	H	1.180	0.000
1197	1	111	VAL	HG13	H	1.180	0.000
1198	1	111	VAL	HG21	H	1.264	0.000
1199	1	111	VAL	HG22	H	1.264	0.000
1200	1	111	VAL	HG23	H	1.264	0.000
1201	1	111	VAL	CA	C	65.428	0.000
1202	1	111	VAL	CB	C	31.357	0.000
1203	1	111	VAL	CG1	C	22.137	0.000
1204	1	111	VAL	CG2	C	23.331	0.000
1205	1	111	VAL	N	N	119.101	0.000
1206	1	112	TRP	H	H	8.772	0.000
1207	1	112	TRP	HA	H	4.353	0.000
1208	1	112	TRP	HB2	H	3.430	0.000
1209	1	112	TRP	HB3	H	3.308	0.000
1210	1	112	TRP	HD1	H	6.960	0.000
1211	1	112	TRP	HE1	H	9.906	0.000
1212	1	112	TRP	HE3	H	6.922	0.000
1213	1	112	TRP	HZ2	H	7.330	0.000
1214	1	112	TRP	HZ3	H	6.516	0.000
1215	1	112	TRP	HH2	H	6.928	0.000
1216	1	112	TRP	CA	C	60.025	0.000
1217	1	112	TRP	CB	C	29.377	0.005
1218	1	112	TRP	CD1	C	126.460	0.000
1219	1	112	TRP	CE3	C	120.473	0.000
1220	1	112	TRP	CZ2	C	113.955	0.000
1221	1	112	TRP	CZ3	C	122.128	0.000
1222	1	112	TRP	CH2	C	124.774	0.000
1223	1	112	TRP	N	N	122.249	0.000
1224	1	112	TRP	NE1	N	127.407	0.000
1225	1	113	LYS	H	H	8.023	0.000
1226	1	113	LYS	HA	H	3.696	0.000
1227	1	113	LYS	HB2	H	2.011	0.000
1228	1	113	LYS	HB3	H	1.961	0.000
1229	1	113	LYS	HG2	H	1.416	0.000
1230	1	113	LYS	HG3	H	1.617	0.000
1231	1	113	LYS	HD2	H	1.702	0.000
1232	1	113	LYS	HD3	H	1.702	0.000
1233	1	113	LYS	HE2	H	2.933	0.000
1234	1	113	LYS	HE3	H	2.933	0.000
1235	1	113	LYS	CA	C	60.420	0.000
1236	1	113	LYS	CB	C	32.111	0.004
1237	1	113	LYS	CG	C	25.088	0.009
1238	1	113	LYS	CD	C	29.447	0.000
1239	1	113	LYS	CE	C	41.791	0.000
1240	1	113	LYS	N	N	119.695	0.000
1241	1	114	GLU	H	H	7.008	0.000
1242	1	114	GLU	HA	H	4.057	0.000
1243	1	114	GLU	HB2	H	2.102	0.000
1244	1	114	GLU	HB3	H	2.347	0.000
1245	1	114	GLU	HG2	H	2.350	0.000
1246	1	114	GLU	HG3	H	2.148	0.000
1247	1	114	GLU	CA	C	58.574	0.000
1248	1	114	GLU	CB	C	30.104	0.003
1249	1	114	GLU	CG	C	36.151	0.003
1250	1	114	GLU	N	N	116.488	0.000
1251	1	115	LEU	H	H	8.487	0.000
1252	1	115	LEU	HA	H	3.763	0.000
1253	1	115	LEU	HB2	H	1.253	0.000
1254	1	115	LEU	HB3	H	1.429	0.000
1255	1	115	LEU	HG	H	1.112	0.000
1256	1	115	LEU	HD11	H	0.549	0.000
1257	1	115	LEU	HD12	H	0.549	0.000
1258	1	115	LEU	HD13	H	0.549	0.000
1259	1	115	LEU	HD21	H	0.699	0.000
1260	1	115	LEU	HD22	H	0.699	0.000
1261	1	115	LEU	HD23	H	0.699	0.000
1262	1	115	LEU	CA	C	57.707	0.000
1263	1	115	LEU	CB	C	42.626	0.008
1264	1	115	LEU	CG	C	26.706	0.000
1265	1	115	LEU	CD1	C	26.186	0.000
1266	1	115	LEU	CD2	C	24.049	0.000
1267	1	115	LEU	N	N	119.513	0.000
1268	1	116	SER	H	H	8.526	0.000
1269	1	116	SER	HA	H	3.181	0.000
1270	1	116	SER	HB2	H	2.990	0.000
1271	1	116	SER	HB3	H	2.538	0.000
1272	1	116	SER	CA	C	61.542	0.000
1273	1	116	SER	CB	C	61.650	0.006
1274	1	116	SER	N	N	113.054	0.000
1275	1	117	LEU	H	H	6.747	0.000
1276	1	117	LEU	HA	H	4.045	0.000
1277	1	117	LEU	HB2	H	1.663	0.000
1278	1	117	LEU	HB3	H	1.663	0.000
1279	1	117	LEU	HG	H	1.662	0.000
1280	1	117	LEU	HD11	H	0.895	0.000
1281	1	117	LEU	HD12	H	0.895	0.000
1282	1	117	LEU	HD13	H	0.895	0.000
1283	1	117	LEU	HD21	H	0.863	0.000
1284	1	117	LEU	HD22	H	0.863	0.000
1285	1	117	LEU	HD23	H	0.863	0.000
1286	1	117	LEU	CA	C	57.911	0.000
1287	1	117	LEU	CB	C	41.722	0.000
1288	1	117	LEU	CG	C	26.780	0.000
1289	1	117	LEU	CD1	C	24.303	0.000
1290	1	117	LEU	CD2	C	24.194	0.000
1291	1	117	LEU	N	N	121.471	0.000
1292	1	118	LEU	H	H	7.257	0.000
1293	1	118	LEU	HA	H	4.099	0.000
1294	1	118	LEU	HB2	H	1.321	0.000
1295	1	118	LEU	HB3	H	1.877	0.000
1296	1	118	LEU	HG	H	1.763	0.000
1297	1	118	LEU	HD11	H	0.750	0.000
1298	1	118	LEU	HD12	H	0.750	0.000
1299	1	118	LEU	HD13	H	0.750	0.000
1300	1	118	LEU	HD21	H	0.823	0.000
1301	1	118	LEU	HD22	H	0.823	0.000
1302	1	118	LEU	HD23	H	0.823	0.000
1303	1	118	LEU	CA	C	57.750	0.000
1304	1	118	LEU	CB	C	43.006	0.005
1305	1	118	LEU	CG	C	27.042	0.000
1306	1	118	LEU	CD1	C	26.861	0.000
1307	1	118	LEU	CD2	C	23.010	0.000
1308	1	118	LEU	N	N	118.225	0.000
1309	1	119	LEU	H	H	8.563	0.000
1310	1	119	LEU	HA	H	3.835	0.000
1311	1	119	LEU	HB2	H	1.366	0.000
1312	1	119	LEU	HB3	H	1.879	0.000
1313	1	119	LEU	HG	H	1.676	0.000
1314	1	119	LEU	HD11	H	0.613	0.000
1315	1	119	LEU	HD12	H	0.613	0.000
1316	1	119	LEU	HD13	H	0.613	0.000
1317	1	119	LEU	HD21	H	0.761	0.000
1318	1	119	LEU	HD22	H	0.761	0.000
1319	1	119	LEU	HD23	H	0.761	0.000
1320	1	119	LEU	CA	C	57.699	0.000
1321	1	119	LEU	CB	C	41.384	0.000
1322	1	119	LEU	CG	C	26.706	0.000
1323	1	119	LEU	CD1	C	26.333	0.000
1324	1	119	LEU	CD2	C	23.899	0.000
1325	1	119	LEU	N	N	119.103	0.000
1326	1	120	GLN	H	H	8.086	0.000
1327	1	120	GLN	HA	H	4.378	0.000
1328	1	120	GLN	HB2	H	2.195	0.000
1329	1	120	GLN	HB3	H	2.285	0.000
1330	1	120	GLN	HG2	H	2.483	0.000
1331	1	120	GLN	HG3	H	2.289	0.000
1332	1	120	GLN	HE21	H	6.824	0.000
1333	1	120	GLN	HE22	H	7.252	0.000
1334	1	120	GLN	CA	C	58.817	0.000
1335	1	120	GLN	CB	C	28.636	0.006
1336	1	120	GLN	CG	C	34.085	0.008
1337	1	120	GLN	N	N	119.600	0.000
1338	1	120	GLN	NE2	N	111.069	0.009
1339	1	121	VAL	H	H	8.145	0.000
1340	1	121	VAL	HA	H	3.838	0.000
1341	1	121	VAL	HB	H	2.102	0.000
1342	1	121	VAL	HG11	H	0.997	0.000
1343	1	121	VAL	HG12	H	0.997	0.000
1344	1	121	VAL	HG13	H	0.997	0.000
1345	1	121	VAL	HG21	H	1.104	0.000
1346	1	121	VAL	HG22	H	1.104	0.000
1347	1	121	VAL	HG23	H	1.104	0.000
1348	1	121	VAL	CA	C	65.529	0.000
1349	1	121	VAL	CB	C	32.923	0.000
1350	1	121	VAL	CG1	C	21.131	0.000
1351	1	121	VAL	CG2	C	22.218	0.000
1352	1	121	VAL	N	N	117.770	0.000
1353	1	122	GLU	H	H	8.719	0.000
1354	1	122	GLU	HA	H	4.351	0.000
1355	1	122	GLU	HG2	H	2.222	0.000
1356	1	122	GLU	HG3	H	2.518	0.000
1357	1	122	GLU	CA	C	58.293	0.000
1358	1	122	GLU	CG	C	37.222	0.003
1359	1	122	GLU	N	N	116.721	0.000
1360	1	123	GLN	H	H	7.361	0.000
1361	1	123	GLN	HA	H	4.479	0.000
1362	1	123	GLN	HG2	H	2.125	0.000
1363	1	123	GLN	HG3	H	2.230	0.000
1364	1	123	GLN	HE21	H	6.780	0.000
1365	1	123	GLN	HE22	H	7.122	0.000
1366	1	123	GLN	CA	C	54.459	0.000
1367	1	123	GLN	CG	C	33.391	0.001
1368	1	123	GLN	N	N	113.166	0.000
1369	1	123	GLN	NE2	N	111.225	0.011
1370	1	124	ARG	H	H	7.442	0.000
1371	1	124	ARG	HA	H	4.101	0.000
1372	1	124	ARG	HG2	H	1.536	0.000
1373	1	124	ARG	HG3	H	1.919	0.000
1374	1	124	ARG	HD2	H	3.129	0.000
1375	1	124	ARG	HD3	H	3.208	0.000
1376	1	124	ARG	CA	C	56.629	0.000
1377	1	124	ARG	CG	C	27.420	0.022
1378	1	124	ARG	CD	C	43.275	0.007
1379	1	124	ARG	N	N	114.276	0.000
1380	1	125	MET	H	H	7.784	0.000
1381	1	125	MET	HA	H	4.587	0.000
1382	1	125	MET	HB2	H	1.608	0.000
1383	1	125	MET	HB3	H	1.788	0.000
1384	1	125	MET	HG2	H	2.594	0.000
1385	1	125	MET	HG3	H	2.594	0.000
1386	1	125	MET	HE1	H	2.058	0.000
1387	1	125	MET	HE2	H	2.058	0.000
1388	1	125	MET	HE3	H	2.058	0.000
1389	1	125	MET	CA	C	53.674	0.000
1390	1	125	MET	CB	C	34.555	0.000
1391	1	125	MET	CG	C	31.640	0.000
1392	1	125	MET	CE	C	17.742	0.000
1393	1	125	MET	N	N	120.845	0.000
1394	1	126	PRO	HA	H	4.455	0.000
1395	1	126	PRO	HB2	H	2.224	0.000
1396	1	126	PRO	HB3	H	1.925	0.000
1397	1	126	PRO	HG2	H	1.999	0.000
1398	1	126	PRO	HG3	H	1.999	0.000
1399	1	126	PRO	HD2	H	3.920	0.000
1400	1	126	PRO	HD3	H	3.679	0.000
1401	1	126	PRO	CA	C	62.823	0.000
1402	1	126	PRO	CB	C	31.644	0.041
1403	1	126	PRO	CG	C	27.647	0.000
1404	1	126	PRO	CD	C	50.875	0.011
1405	1	127	VAL	H	H	8.115	0.000
1406	1	127	VAL	HA	H	4.031	0.000
1407	1	127	VAL	HB	H	1.984	0.000
1408	1	127	VAL	HG11	H	0.878	0.000
1409	1	127	VAL	HG12	H	0.878	0.000
1410	1	127	VAL	HG13	H	0.878	0.000
1411	1	127	VAL	HG21	H	0.891	0.000
1412	1	127	VAL	HG22	H	0.891	0.000
1413	1	127	VAL	HG23	H	0.891	0.000
1414	1	127	VAL	CA	C	61.926	0.000
1415	1	127	VAL	CB	C	33.091	0.000
1416	1	127	VAL	CG1	C	21.350	0.000
1417	1	127	VAL	CG2	C	20.899	0.000
1418	1	127	VAL	N	N	120.324	0.000
1419	1	128	SER	H	H	8.454	0.000
1420	1	128	SER	HA	H	4.829	0.000
1421	1	128	SER	HB2	H	3.903	0.000
1422	1	128	SER	HB3	H	3.903	0.000
1423	1	128	SER	CA	C	56.090	0.000
1424	1	128	SER	CB	C	63.624	0.000
1425	1	128	SER	N	N	121.938	0.000
1426	1	129	PRO	HA	H	4.495	0.000
1427	1	129	PRO	HB2	H	2.281	0.000
1428	1	129	PRO	HB3	H	1.949	0.000
1429	1	129	PRO	HG2	H	2.005	0.000
1430	1	129	PRO	HG3	H	2.005	0.000
1431	1	129	PRO	HD2	H	3.848	0.000
1432	1	129	PRO	HD3	H	3.789	0.000
1433	1	129	PRO	CA	C	63.529	0.000
1434	1	129	PRO	CB	C	32.070	0.017
1435	1	129	PRO	CG	C	27.378	0.000
1436	1	129	PRO	CD	C	50.912	0.003
1437	1	130	ILE	HA	H	4.156	0.000
1438	1	130	ILE	HB	H	1.829	0.000
1439	1	130	ILE	HG12	H	1.140	0.000
1440	1	130	ILE	HG13	H	1.415	0.000
1441	1	130	ILE	HG21	H	0.860	0.000
1442	1	130	ILE	HG22	H	0.860	0.000
1443	1	130	ILE	HG23	H	0.860	0.000
1444	1	130	ILE	HD11	H	0.773	0.000
1445	1	130	ILE	HD12	H	0.773	0.000
1446	1	130	ILE	HD13	H	0.773	0.000
1447	1	130	ILE	CA	C	61.254	0.000
1448	1	130	ILE	CB	C	38.727	0.000
1449	1	130	ILE	CG1	C	27.429	0.003
1450	1	130	ILE	CG2	C	17.534	0.000
1451	1	130	ILE	CD1	C	13.108	0.000
1452	1	131	SER	H	H	8.334	0.000
1453	1	131	SER	HA	H	4.416	0.000
1454	1	131	SER	HB2	H	3.839	0.000
1455	1	131	SER	HB3	H	3.860	0.000
1456	1	131	SER	CA	C	58.144	0.000
1457	1	131	SER	CB	C	63.446	0.001
1458	1	131	SER	N	N	119.423	0.000
1459	1	132	GLN	HA	H	4.247	0.000
1460	1	132	GLN	HB2	H	1.901	0.000
1461	1	132	GLN	HB3	H	2.030	0.000
1462	1	132	GLN	HG2	H	2.259	0.000
1463	1	132	GLN	HG3	H	2.259	0.000
1464	1	132	GLN	HE21	H	6.693	0.000
1465	1	132	GLN	HE22	H	7.408	0.000
1466	1	132	GLN	CA	C	56.093	0.000
1467	1	132	GLN	CB	C	28.967	0.019
1468	1	132	GLN	CG	C	33.601	0.000
1469	1	132	GLN	NE2	N	111.999	0.000
1470	1	133	GLY	H	H	8.202	0.000
1471	1	133	GLY	HA2	H	2.887	0.000
1472	1	133	GLY	HA3	H	3.579	0.000
1473	1	133	GLY	CA	C	44.983	0.002
1474	1	133	GLY	N	N	109.481	0.000
1475	1	134	ALA	H	H	8.114	0.000
1476	1	134	ALA	HA	H	4.231	0.000
1477	1	134	ALA	HB1	H	1.429	0.000
1478	1	134	ALA	HB2	H	1.429	0.000
1479	1	134	ALA	HB3	H	1.429	0.000
1480	1	134	ALA	CA	C	53.828	0.000
1481	1	134	ALA	CB	C	18.942	0.000
1482	1	134	ALA	N	N	124.915	0.000
1483	1	135	SER	H	H	8.437	0.000
1484	1	135	SER	HA	H	4.606	0.000
1485	1	135	SER	HB2	H	3.985	0.000
1486	1	135	SER	HB3	H	4.147	0.000
1487	1	135	SER	CA	C	58.427	0.000
1488	1	135	SER	CB	C	63.760	0.001
1489	1	135	SER	N	N	113.415	0.000
1490	1	136	TRP	H	H	8.440	0.000
1491	1	136	TRP	HA	H	4.551	0.000
1492	1	136	TRP	HB2	H	3.180	0.000
1493	1	136	TRP	HB3	H	3.180	0.000
1494	1	136	TRP	HD1	H	7.017	0.000
1495	1	136	TRP	HE1	H	10.076	0.000
1496	1	136	TRP	HE3	H	7.531	0.000
1497	1	136	TRP	HZ2	H	7.330	0.000
1498	1	136	TRP	HZ3	H	7.319	0.000
1499	1	136	TRP	HH2	H	6.811	0.000
1500	1	136	TRP	CA	C	58.830	0.000
1501	1	136	TRP	CB	C	28.804	0.000
1502	1	136	TRP	CD1	C	124.201	0.000
1503	1	136	TRP	CE3	C	121.482	0.000
1504	1	136	TRP	CZ2	C	113.955	0.000
1505	1	136	TRP	CZ3	C	125.968	0.000
1506	1	136	TRP	CH2	C	123.223	0.000
1507	1	136	TRP	N	N	122.891	0.000
1508	1	136	TRP	NE1	N	128.145	0.000
1509	1	137	ALA	H	H	8.503	0.000
1510	1	137	ALA	HA	H	4.259	0.000
1511	1	137	ALA	HB1	H	1.504	0.000
1512	1	137	ALA	HB2	H	1.504	0.000
1513	1	137	ALA	HB3	H	1.504	0.000
1514	1	137	ALA	CA	C	55.635	0.000
1515	1	137	ALA	CB	C	17.832	0.000
1516	1	137	ALA	N	N	120.771	0.000
1517	1	138	GLN	H	H	7.926	0.000
1518	1	138	GLN	HA	H	4.112	0.000
1519	1	138	GLN	HB2	H	2.143	0.000
1520	1	138	GLN	HB3	H	2.188	0.000
1521	1	138	GLN	HG2	H	2.441	0.000
1522	1	138	GLN	HG3	H	2.441	0.000
1523	1	138	GLN	CA	C	58.895	0.000
1524	1	138	GLN	CB	C	28.426	0.002
1525	1	138	GLN	CG	C	34.135	0.000
1526	1	138	GLN	N	N	119.131	0.000
1527	1	139	GLU	H	H	7.782	0.000
1528	1	139	GLU	HA	H	3.834	0.000
1529	1	139	GLU	HB2	H	2.162	0.000
1530	1	139	GLU	HB3	H	2.162	0.000
1531	1	139	GLU	HG2	H	2.496	0.000
1532	1	139	GLU	HG3	H	2.496	0.000
1533	1	139	GLU	CA	C	58.918	0.000
1534	1	139	GLU	CB	C	29.673	0.000
1535	1	139	GLU	CG	C	36.169	0.000
1536	1	139	GLU	N	N	121.095	0.000
1537	1	140	ASP	H	H	8.842	0.000
1538	1	140	ASP	HA	H	4.481	0.000
1539	1	140	ASP	HB2	H	2.677	0.000
1540	1	140	ASP	HB3	H	2.954	0.000
1541	1	140	ASP	CA	C	57.088	0.000
1542	1	140	ASP	CB	C	40.029	0.003
1543	1	140	ASP	N	N	118.328	0.000
1544	1	141	GLN	H	H	7.536	0.000
1545	1	141	GLN	HA	H	3.907	0.000
1546	1	141	GLN	HB2	H	2.210	0.000
1547	1	141	GLN	HB3	H	2.210	0.000
1548	1	141	GLN	HG2	H	2.530	0.000
1549	1	141	GLN	HG3	H	2.438	0.000
1550	1	141	GLN	HE21	H	6.986	0.000
1551	1	141	GLN	HE22	H	7.557	0.000
1552	1	141	GLN	CA	C	58.822	0.000
1553	1	141	GLN	CB	C	28.446	0.000
1554	1	141	GLN	CG	C	33.904	0.015
1555	1	141	GLN	N	N	117.024	0.000
1556	1	141	GLN	NE2	N	113.509	0.000
1557	1	142	GLN	H	H	7.545	0.000
1558	1	142	GLN	HA	H	4.142	0.000
1559	1	142	GLN	HB2	H	2.172	0.000
1560	1	142	GLN	HB3	H	2.214	0.000
1561	1	142	GLN	HG2	H	2.460	0.000
1562	1	142	GLN	HG3	H	2.544	0.000
1563	1	142	GLN	HE21	H	7.686	0.000
1564	1	142	GLN	HE22	H	6.859	0.000
1565	1	142	GLN	CA	C	58.913	0.000
1566	1	142	GLN	CB	C	28.170	0.007
1567	1	142	GLN	CG	C	33.886	0.011
1568	1	142	GLN	N	N	119.595	0.000
1569	1	142	GLN	NE2	N	111.891	0.000
1570	1	143	ASP	H	H	9.174	0.000
1571	1	143	ASP	HA	H	4.047	0.000
1572	1	143	ASP	HB2	H	2.159	0.000
1573	1	143	ASP	HB3	H	2.842	0.000
1574	1	143	ASP	CA	C	57.268	0.000
1575	1	143	ASP	CB	C	40.664	0.006
1576	1	143	ASP	N	N	121.794	0.000
1577	1	144	ALA	H	H	8.769	0.000
1578	1	144	ALA	HA	H	4.281	0.000
1579	1	144	ALA	HB1	H	1.413	0.000
1580	1	144	ALA	HB2	H	1.413	0.000
1581	1	144	ALA	HB3	H	1.413	0.000
1582	1	144	ALA	CA	C	55.158	0.000
1583	1	144	ALA	CB	C	19.430	0.000
1584	1	144	ALA	N	N	121.083	0.000
1585	1	145	ASP	H	H	7.883	0.000
1586	1	145	ASP	HA	H	4.443	0.000
1587	1	145	ASP	HB2	H	2.744	0.000
1588	1	145	ASP	HB3	H	2.892	0.000
1589	1	145	ASP	CA	C	57.571	0.000
1590	1	145	ASP	CB	C	41.268	0.001
1591	1	145	ASP	N	N	119.190	0.000
1592	1	146	GLU	H	H	7.895	0.000
1593	1	146	GLU	HA	H	4.045	0.000
1594	1	146	GLU	HB2	H	2.071	0.000
1595	1	146	GLU	HB3	H	2.223	0.000
1596	1	146	GLU	HG2	H	2.277	0.000
1597	1	146	GLU	HG3	H	2.519	0.000
1598	1	146	GLU	CA	C	59.798	0.000
1599	1	146	GLU	CB	C	29.680	0.001
1600	1	146	GLU	CG	C	36.595	0.004
1601	1	146	GLU	N	N	119.684	0.000
1602	1	147	ASP	H	H	8.900	0.000
1603	1	147	ASP	HA	H	4.664	0.000
1604	1	147	ASP	HB2	H	2.812	0.000
1605	1	147	ASP	HB3	H	2.812	0.000
1606	1	147	ASP	CA	C	57.409	0.000
1607	1	147	ASP	CB	C	41.114	0.000
1608	1	147	ASP	N	N	121.187	0.000
1609	1	148	ARG	H	H	8.533	0.000
1610	1	148	ARG	HA	H	4.135	0.000
1611	1	148	ARG	HB2	H	2.080	0.000
1612	1	148	ARG	HB3	H	2.080	0.000
1613	1	148	ARG	HG2	H	1.784	0.000
1614	1	148	ARG	HG3	H	2.011	0.000
1615	1	148	ARG	CA	C	59.484	0.000
1616	1	148	ARG	CB	C	29.630	0.000
1617	1	148	ARG	CG	C	26.841	0.034
1618	1	148	ARG	N	N	121.458	0.000
1619	1	149	ARG	H	H	7.692	0.000
1620	1	149	ARG	HA	H	4.104	0.000
1621	1	149	ARG	HB2	H	1.968	0.000
1622	1	149	ARG	HB3	H	1.968	0.000
1623	1	149	ARG	HG2	H	1.688	0.000
1624	1	149	ARG	HG3	H	1.884	0.000
1625	1	149	ARG	HD2	H	3.208	0.000
1626	1	149	ARG	HD3	H	3.285	0.000
1627	1	149	ARG	CA	C	59.297	0.000
1628	1	149	ARG	CB	C	29.906	0.000
1629	1	149	ARG	CG	C	28.503	0.039
1630	1	149	ARG	CD	C	43.386	0.000
1631	1	149	ARG	N	N	119.371	0.000
1632	1	150	ALA	H	H	7.863	0.000
1633	1	150	ALA	HA	H	4.329	0.000
1634	1	150	ALA	HB1	H	1.670	0.000
1635	1	150	ALA	HB2	H	1.670	0.000
1636	1	150	ALA	HB3	H	1.670	0.000
1637	1	150	ALA	CA	C	54.034	0.000
1638	1	150	ALA	CB	C	18.944	0.000
1639	1	150	ALA	N	N	120.423	0.000
1640	1	151	PHE	H	H	8.292	0.000
1641	1	151	PHE	HA	H	4.387	0.000
1642	1	151	PHE	HB2	H	3.134	0.000
1643	1	151	PHE	HB3	H	3.359	0.000
1644	1	151	PHE	HD1	H	7.295	0.000
1645	1	151	PHE	HD2	H	7.295	0.000
1646	1	151	PHE	HE1	H	7.119	0.000
1647	1	151	PHE	HE2	H	7.119	0.000
1648	1	151	PHE	CA	C	60.450	0.000
1649	1	151	PHE	CB	C	39.636	0.020
1650	1	151	PHE	CD1	C	132.225	0.000
1651	1	151	PHE	CD2	C	132.225	0.000
1652	1	151	PHE	CE1	C	131.268	0.000
1653	1	151	PHE	CE2	C	131.268	0.000
1654	1	151	PHE	N	N	120.163	0.000
1655	1	152	GLN	H	H	7.997	0.000
1656	1	152	GLN	HA	H	4.150	0.000
1657	1	152	GLN	HB2	H	2.154	0.000
1658	1	152	GLN	HB3	H	2.154	0.000
1659	1	152	GLN	HG2	H	2.500	0.000
1660	1	152	GLN	HG3	H	2.569	0.000
1661	1	152	GLN	HE21	H	6.971	0.000
1662	1	152	GLN	HE22	H	7.594	0.000
1663	1	152	GLN	CA	C	56.783	0.000
1664	1	152	GLN	CB	C	28.721	0.000
1665	1	152	GLN	CG	C	33.997	0.002
1666	1	152	GLN	N	N	118.654	0.000
1667	1	152	GLN	NE2	N	112.133	0.030
1668	1	153	MET	H	H	7.798	0.000
1669	1	153	MET	HA	H	4.384	0.000
1670	1	153	MET	HB2	H	2.096	0.000
1671	1	153	MET	HB3	H	2.173	0.000
1672	1	153	MET	HG2	H	2.635	0.000
1673	1	153	MET	HG3	H	2.707	0.000
1674	1	153	MET	HE1	H	2.105	0.000
1675	1	153	MET	HE2	H	2.105	0.000
1676	1	153	MET	HE3	H	2.105	0.000
1677	1	153	MET	CA	C	55.971	0.000
1678	1	153	MET	CB	C	32.604	0.001
1679	1	153	MET	CG	C	32.158	0.006
1680	1	153	MET	CE	C	16.911	0.000
1681	1	153	MET	N	N	118.211	0.000
1682	1	154	LEU	H	H	7.731	0.000
1683	1	154	LEU	HA	H	4.294	0.000
1684	1	154	LEU	HB2	H	1.508	0.000
1685	1	154	LEU	HB3	H	1.620	0.000
1686	1	154	LEU	HG	H	1.695	0.000
1687	1	154	LEU	HD11	H	0.878	0.000
1688	1	154	LEU	HD12	H	0.878	0.000
1689	1	154	LEU	HD13	H	0.878	0.000
1690	1	154	LEU	HD21	H	0.907	0.000
1691	1	154	LEU	HD22	H	0.907	0.000
1692	1	154	LEU	HD23	H	0.907	0.000
1693	1	154	LEU	CA	C	55.174	0.000
1694	1	154	LEU	CB	C	42.221	0.003
1695	1	154	LEU	CG	C	26.800	0.000
1696	1	154	LEU	CD1	C	23.374	0.000
1697	1	154	LEU	CD2	C	25.257	0.000
1698	1	154	LEU	N	N	121.237	0.000
1699	1	155	ARG	H	H	8.174	0.000
1700	1	155	ARG	HA	H	4.266	0.000
1701	1	155	ARG	HB2	H	1.769	0.000
1702	1	155	ARG	HB3	H	1.820	0.000
1703	1	155	ARG	HG2	H	1.603	0.000
1704	1	155	ARG	HG3	H	1.603	0.000
1705	1	155	ARG	HD2	H	3.176	0.000
1706	1	155	ARG	HD3	H	3.176	0.000
1707	1	155	ARG	CA	C	56.040	0.000
1708	1	155	ARG	CB	C	30.814	0.006
1709	1	155	ARG	CG	C	26.909	0.000
1710	1	155	ARG	CD	C	43.171	0.000
1711	1	155	ARG	N	N	122.005	0.000
1712	1	156	ARG	H	H	8.449	0.000
1713	1	156	ARG	HA	H	4.383	0.000
1714	1	156	ARG	HB2	H	1.895	0.000
1715	1	156	ARG	HB3	H	1.725	0.000
1716	1	156	ARG	HG2	H	1.631	0.000
1717	1	156	ARG	HG3	H	1.631	0.000
1718	1	156	ARG	HD2	H	3.191	0.000
1719	1	156	ARG	HD3	H	3.191	0.000
1720	1	156	ARG	CA	C	55.743	0.000
1721	1	156	ARG	CB	C	30.942	0.004
1722	1	156	ARG	CG	C	26.932	0.000
1723	1	156	ARG	CD	C	43.310	0.000
1724	1	156	ARG	N	N	123.259	0.000
1725	1	157	ASP	H	H	8.032	0.000
1726	1	157	ASP	HA	H	4.366	0.000
1727	1	157	ASP	HB2	H	2.581	0.000
1728	1	157	ASP	HB3	H	2.655	0.000
1729	1	157	ASP	CA	C	55.701	0.000
1730	1	157	ASP	CB	C	42.199	0.000
1731	1	157	ASP	N	N	127.028	0.000

Release date

2021-03-18

Citation

Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain
Ruebbelke, M., Hamilton, J., Binder, F., Bauer, M., King, J., Nar, H., Zeeb, M.
J. Med. Chem. (2021), 64, 15629-15638, PubMed 34672548 , DOI 10.1021/acs.jmedchem.1c00686 , Abstract

Related entities 1. Mixed lineage kinase domain-like protein, entity 1, : 1 : 4 : 6 : 8 entities Detail

Interaction partners 1. Mixed lineage kinase domain-like protein, entity 1, : 11 interactors Detail

More details for 11 interactors identified by 5 citations

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 315 uM [U-13C; U-15N] MLKL executioner domain, 1600 uM Cpd 3, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
3	MLKL executioner domain	[U-13C; U-15N]		315 uM
4	Cpd 3	natural abundance		1600 uM

2 3D HNCACB

Instrument

Bruker AVANCE III HD - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 315 uM [U-13C; U-15N] MLKL executioner domain, 1600 uM Cpd 3, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
3	MLKL executioner domain	[U-13C; U-15N]		315 uM
4	Cpd 3	natural abundance		1600 uM

3 3D HNccH TOCSY

Instrument

Bruker AVANCE III HD - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 315 uM [U-13C; U-15N] MLKL executioner domain, 1600 uM Cpd 3, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
3	MLKL executioner domain	[U-13C; U-15N]		315 uM
4	Cpd 3	natural abundance		1600 uM

4 3D HNCC TOCSY

Instrument

Bruker AVANCE III HD - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 315 uM [U-13C; U-15N] MLKL executioner domain, 1600 uM Cpd 3, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
3	MLKL executioner domain	[U-13C; U-15N]		315 uM
4	Cpd 3	natural abundance		1600 uM

5 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 315 uM [U-13C; U-15N] MLKL executioner domain, 1600 uM Cpd 3, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
3	MLKL executioner domain	[U-13C; U-15N]		315 uM
4	Cpd 3	natural abundance		1600 uM

6 2D 1H-13C HSQC aliphatic