BMRBj - BMREntryMaster

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BMRB: 34605

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 UJ2 (non-polymer), 358.390 Da

Total weight

18512.08 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: 1065, ¹³C: 514, ¹⁵N: 159 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err
1	1	1	GLY	HA2	H	3.961	0.000
2	1	1	GLY	HA3	H	3.961	0.000
3	1	1	GLY	CA	C	43.309	0.000
4	1	2	SER	HA	H	4.989	0.000
5	1	2	SER	HB2	H	4.039	0.000
6	1	2	SER	HB3	H	4.178	0.000
7	1	2	SER	CA	C	56.841	0.000
8	1	2	SER	CB	C	62.778	0.000
9	1	3	PRO	HA	H	4.503	0.000
10	1	3	PRO	CA	C	65.461	0.000
11	1	4	GLY	HA2	H	3.732	0.000
12	1	4	GLY	HA3	H	3.887	0.000
13	1	4	GLY	CA	C	47.007	0.000
14	1	5	GLU	H	H	7.786	0.000
15	1	5	GLU	HA	H	4.034	0.000
16	1	5	GLU	HB2	H	2.173	0.000
17	1	5	GLU	HB3	H	2.048	0.000
18	1	5	GLU	HG2	H	2.264	0.000
19	1	5	GLU	HG3	H	2.328	0.000
20	1	5	GLU	CA	C	58.936	0.000
21	1	5	GLU	CB	C	29.598	0.000
22	1	5	GLU	CG	C	36.823	0.000
23	1	5	GLU	N	N	122.844	0.000
24	1	6	ASN	H	H	8.562	0.000
25	1	6	ASN	HA	H	4.683	0.000
26	1	6	ASN	HB2	H	3.111	0.000
27	1	6	ASN	HB3	H	3.111	0.000
28	1	6	ASN	CA	C	55.435	0.000
29	1	6	ASN	CB	C	37.548	0.000
30	1	6	ASN	N	N	119.388	0.000
31	1	7	LEU	HA	H	4.054	0.000
32	1	7	LEU	HB2	H	1.554	0.000
33	1	7	LEU	HB3	H	1.923	0.000
34	1	7	LEU	HD11	H	0.719	0.000
35	1	7	LEU	HD12	H	0.719	0.000
36	1	7	LEU	HD13	H	0.719	0.000
37	1	7	LEU	HD21	H	0.564	0.000
38	1	7	LEU	HD22	H	0.564	0.000
39	1	7	LEU	HD23	H	0.564	0.000
40	1	7	LEU	CA	C	57.901	0.000
41	1	7	LEU	CB	C	41.478	0.000
42	1	7	LEU	CD1	C	23.887	0.000
43	1	7	LEU	CD2	C	25.143	0.000
44	1	8	LYS	H	H	7.830	0.000
45	1	8	LYS	HA	H	3.969	0.000
46	1	8	LYS	HB2	H	1.946	0.000
47	1	8	LYS	HB3	H	1.946	0.000
48	1	8	LYS	HG2	H	1.535	0.000
49	1	8	LYS	HG3	H	1.434	0.000
50	1	8	LYS	HD2	H	1.683	0.000
51	1	8	LYS	HD3	H	1.683	0.000
52	1	8	LYS	HE2	H	2.956	0.000
53	1	8	LYS	HE3	H	2.956	0.000
54	1	8	LYS	CA	C	59.699	0.000
55	1	8	LYS	CB	C	31.750	0.000
56	1	8	LYS	CG	C	24.973	0.000
57	1	8	LYS	CD	C	29.067	0.000
58	1	8	LYS	CE	C	41.794	0.000
59	1	8	LYS	N	N	118.764	0.000
60	1	9	HIS	H	H	8.108	0.000
61	1	9	HIS	HA	H	4.436	0.000
62	1	9	HIS	HB2	H	3.328	0.000
63	1	9	HIS	HB3	H	3.328	0.000
64	1	9	HIS	HD2	H	6.954	0.000
65	1	9	HIS	HE1	H	7.864	0.000
66	1	9	HIS	CA	C	59.605	0.000
67	1	9	HIS	CB	C	30.681	0.000
68	1	9	HIS	CD2	C	118.982	0.000
69	1	9	HIS	CE1	C	138.549	0.000
70	1	9	HIS	N	N	119.020	0.000
71	1	10	ILE	H	H	7.754	0.000
72	1	10	ILE	HA	H	3.469	0.000
73	1	10	ILE	HB	H	2.128	0.000
74	1	10	ILE	HG12	H	0.878	0.000
75	1	10	ILE	HG13	H	2.092	0.000
76	1	10	ILE	HG21	H	0.905	0.000
77	1	10	ILE	HG22	H	0.905	0.000
78	1	10	ILE	HG23	H	0.905	0.000
79	1	10	ILE	HD11	H	1.016	0.000
80	1	10	ILE	HD12	H	1.016	0.000
81	1	10	ILE	HD13	H	1.016	0.000
82	1	10	ILE	CA	C	65.872	0.000
83	1	10	ILE	CB	C	37.965	0.000
84	1	10	ILE	CG1	C	30.762	0.000
85	1	10	ILE	CG2	C	17.692	0.000
86	1	10	ILE	CD1	C	14.305	0.000
87	1	10	ILE	N	N	121.003	0.000
88	1	11	ILE	H	H	8.156	0.000
89	1	11	ILE	HA	H	3.570	0.000
90	1	11	ILE	HB	H	1.865	0.000
91	1	11	ILE	HG12	H	0.906	0.000
92	1	11	ILE	HG13	H	1.749	0.000
93	1	11	ILE	HG21	H	0.887	0.000
94	1	11	ILE	HG22	H	0.887	0.000
95	1	11	ILE	HG23	H	0.887	0.000
96	1	11	ILE	HD11	H	0.703	0.000
97	1	11	ILE	HD12	H	0.703	0.000
98	1	11	ILE	HD13	H	0.703	0.000
99	1	11	ILE	CA	C	65.933	0.000
100	1	11	ILE	CB	C	38.606	0.000
101	1	11	ILE	CG1	C	30.151	0.000
102	1	11	ILE	CG2	C	17.453	0.000
103	1	11	ILE	CD1	C	14.307	0.000
104	1	11	ILE	N	N	120.080	0.000
105	1	12	THR	H	H	8.429	0.000
106	1	12	THR	HA	H	3.883	0.000
107	1	12	THR	HB	H	4.252	0.000
108	1	12	THR	HG21	H	1.240	0.000
109	1	12	THR	HG22	H	1.240	0.000
110	1	12	THR	HG23	H	1.240	0.000
111	1	12	THR	CA	C	66.670	0.000
112	1	12	THR	CB	C	68.655	0.000
113	1	12	THR	CG2	C	21.579	0.000
114	1	12	THR	N	N	115.791	0.000
115	1	13	LEU	H	H	8.037	0.000
116	1	13	LEU	HA	H	4.079	0.000
117	1	13	LEU	HB2	H	1.574	0.000
118	1	13	LEU	HB3	H	1.754	0.000
119	1	13	LEU	HG	H	1.427	0.000
120	1	13	LEU	HD11	H	0.845	0.000
121	1	13	LEU	HD12	H	0.845	0.000
122	1	13	LEU	HD13	H	0.845	0.000
123	1	13	LEU	HD21	H	0.817	0.000
124	1	13	LEU	HD22	H	0.817	0.000
125	1	13	LEU	HD23	H	0.817	0.000
126	1	13	LEU	CA	C	57.901	0.000
127	1	13	LEU	CB	C	41.613	0.000
128	1	13	LEU	CG	C	27.223	0.000
129	1	13	LEU	CD1	C	23.033	0.000
130	1	13	LEU	CD2	C	26.583	0.000
131	1	13	LEU	N	N	122.579	0.000
132	1	14	GLY	H	H	8.371	0.000
133	1	14	GLY	HA2	H	3.525	0.000
134	1	14	GLY	HA3	H	3.615	0.000
135	1	14	GLY	CA	C	47.313	0.000
136	1	14	GLY	N	N	105.078	0.000
137	1	15	GLN	H	H	8.177	0.000
138	1	15	GLN	HA	H	3.987	0.000
139	1	15	GLN	HB2	H	2.008	0.000
140	1	15	GLN	HB3	H	2.458	0.000
141	1	15	GLN	HG2	H	2.657	0.000
142	1	15	GLN	HG3	H	2.320	0.000
143	1	15	GLN	HE21	H	6.639	0.000
144	1	15	GLN	HE22	H	7.258	0.000
145	1	15	GLN	CA	C	59.433	0.000
146	1	15	GLN	CB	C	27.297	0.000
147	1	15	GLN	CG	C	33.672	0.000
148	1	15	GLN	N	N	120.089	0.000
149	1	15	GLN	NE2	N	110.873	0.018
150	1	16	VAL	H	H	8.695	0.000
151	1	16	VAL	HA	H	3.692	0.000
152	1	16	VAL	HB	H	2.370	0.000
153	1	16	VAL	HG11	H	0.949	0.000
154	1	16	VAL	HG12	H	0.949	0.000
155	1	16	VAL	HG13	H	0.949	0.000
156	1	16	VAL	HG21	H	1.082	0.000
157	1	16	VAL	HG22	H	1.082	0.000
158	1	16	VAL	HG23	H	1.082	0.000
159	1	16	VAL	CA	C	66.612	0.000
160	1	16	VAL	CB	C	31.332	0.000
161	1	16	VAL	CG1	C	20.740	0.000
162	1	16	VAL	CG2	C	23.196	0.000
163	1	16	VAL	N	N	123.283	0.000
164	1	17	ILE	H	H	8.396	0.000
165	1	17	ILE	HA	H	3.494	0.000
166	1	17	ILE	HB	H	2.038	0.000
167	1	17	ILE	HG12	H	0.863	0.000
168	1	17	ILE	HG13	H	1.801	0.000
169	1	17	ILE	HG21	H	0.714	0.000
170	1	17	ILE	HG22	H	0.714	0.000
171	1	17	ILE	HG23	H	0.714	0.000
172	1	17	ILE	HD11	H	0.851	0.000
173	1	17	ILE	HD12	H	0.851	0.000
174	1	17	ILE	HD13	H	0.851	0.000
175	1	17	ILE	CA	C	66.050	0.000
176	1	17	ILE	CB	C	37.998	0.000
177	1	17	ILE	CG1	C	30.060	0.000
178	1	17	ILE	CG2	C	16.832	0.000
179	1	17	ILE	CD1	C	16.183	0.000
180	1	17	ILE	N	N	121.470	0.000
181	1	18	HIS	H	H	8.177	0.000
182	1	18	HIS	HA	H	3.928	0.000
183	1	18	HIS	HB2	H	3.168	0.000
184	1	18	HIS	HB3	H	3.168	0.000
185	1	18	HIS	HD2	H	6.820	0.000
186	1	18	HIS	HE1	H	7.635	0.000
187	1	18	HIS	CA	C	61.352	0.000
188	1	18	HIS	CB	C	29.718	0.000
189	1	18	HIS	CD2	C	121.692	0.000
190	1	18	HIS	CE1	C	137.842	0.000
191	1	18	HIS	N	N	119.096	0.000
192	1	19	LYS	H	H	7.891	0.000
193	1	19	LYS	HA	H	3.661	0.000
194	1	19	LYS	HB2	H	1.935	0.000
195	1	19	LYS	HB3	H	1.935	0.000
196	1	19	LYS	HG2	H	1.374	0.000
197	1	19	LYS	HG3	H	1.514	0.000
198	1	19	LYS	HD2	H	1.653	0.000
199	1	19	LYS	HD3	H	1.653	0.000
200	1	19	LYS	HE2	H	2.964	0.000
201	1	19	LYS	HE3	H	2.964	0.000
202	1	19	LYS	CA	C	59.538	0.000
203	1	19	LYS	CB	C	32.237	0.000
204	1	19	LYS	CG	C	24.712	0.000
205	1	19	LYS	CD	C	29.074	0.000
206	1	19	LYS	CE	C	41.804	0.000
207	1	19	LYS	N	N	118.790	0.000
208	1	20	ARG	H	H	8.449	0.000
209	1	20	ARG	HA	H	3.978	0.000
210	1	20	ARG	HB2	H	1.975	0.000
211	1	20	ARG	HB3	H	1.975	0.000
212	1	20	ARG	HG2	H	1.705	0.000
213	1	20	ARG	HG3	H	1.909	0.000
214	1	20	ARG	HD2	H	3.226	0.000
215	1	20	ARG	HD3	H	3.077	0.000
216	1	20	ARG	CA	C	59.345	0.000
217	1	20	ARG	CB	C	30.243	0.000
218	1	20	ARG	CG	C	27.599	0.000
219	1	20	ARG	CD	C	43.402	0.000
220	1	20	ARG	N	N	117.936	0.000
221	1	21	CYS	H	H	8.574	0.000
222	1	21	CYS	HA	H	3.931	0.000
223	1	21	CYS	HB2	H	2.633	0.000
224	1	21	CYS	HB3	H	3.112	0.000
225	1	21	CYS	CA	C	65.881	0.000
226	1	21	CYS	CB	C	27.419	0.000
227	1	21	CYS	N	N	118.588	0.000
228	1	22	GLU	H	H	7.590	0.000
229	1	22	GLU	HA	H	3.824	0.000
230	1	22	GLU	HB2	H	1.941	0.000
231	1	22	GLU	HB3	H	2.029	0.000
232	1	22	GLU	HG2	H	1.949	0.000
233	1	22	GLU	HG3	H	1.949	0.000
234	1	22	GLU	CA	C	58.389	0.000
235	1	22	GLU	CB	C	29.833	0.000
236	1	22	GLU	CG	C	36.284	0.000
237	1	22	GLU	N	N	118.019	0.000
238	1	23	GLU	H	H	7.229	0.000
239	1	23	GLU	HA	H	4.246	0.000
240	1	23	GLU	HB2	H	1.973	0.000
241	1	23	GLU	HB3	H	2.098	0.000
242	1	23	GLU	HG2	H	2.232	0.000
243	1	23	GLU	HG3	H	2.455	0.000
244	1	23	GLU	CA	C	55.729	0.000
245	1	23	GLU	CB	C	30.362	0.000
246	1	23	GLU	CG	C	36.181	0.000
247	1	23	GLU	N	N	115.438	0.000
248	1	24	MET	H	H	6.999	0.000
249	1	24	MET	HA	H	4.288	0.000
250	1	24	MET	HB2	H	2.398	0.000
251	1	24	MET	HB3	H	2.457	0.000
252	1	24	MET	HG2	H	3.024	0.000
253	1	24	MET	HG3	H	2.945	0.000
254	1	24	MET	HE1	H	2.265	0.000
255	1	24	MET	HE2	H	2.265	0.000
256	1	24	MET	HE3	H	2.265	0.000
257	1	24	MET	CA	C	56.529	0.000
258	1	24	MET	CB	C	32.983	0.000
259	1	24	MET	CG	C	33.090	0.000
260	1	24	MET	CE	C	18.674	0.000
261	1	24	MET	N	N	120.714	0.000
262	1	25	LYS	H	H	8.857	0.000
263	1	25	LYS	HA	H	3.952	0.000
264	1	25	LYS	HB2	H	1.292	0.000
265	1	25	LYS	HB3	H	1.086	0.000
266	1	25	LYS	HG2	H	1.373	0.000
267	1	25	LYS	HG3	H	1.215	0.000
268	1	25	LYS	HD2	H	1.603	0.000
269	1	25	LYS	HD3	H	1.603	0.000
270	1	25	LYS	HE2	H	3.008	0.000
271	1	25	LYS	HE3	H	3.008	0.000
272	1	25	LYS	CA	C	56.938	0.000
273	1	25	LYS	CB	C	33.205	0.000
274	1	25	LYS	CG	C	25.118	0.000
275	1	25	LYS	CD	C	28.893	0.000
276	1	25	LYS	CE	C	41.840	0.000
277	1	25	LYS	N	N	120.614	0.000
278	1	26	TYR	H	H	7.368	0.000
279	1	26	TYR	HA	H	4.978	0.000
280	1	26	TYR	HB2	H	3.259	0.000
281	1	26	TYR	HB3	H	2.831	0.000
282	1	26	TYR	HD1	H	7.267	0.000
283	1	26	TYR	HD2	H	7.267	0.000
284	1	26	TYR	HE1	H	6.940	0.000
285	1	26	TYR	HE2	H	6.940	0.000
286	1	26	TYR	CA	C	55.053	0.000
287	1	26	TYR	CB	C	41.434	0.000
288	1	26	TYR	CD1	C	134.040	0.000
289	1	26	TYR	CD2	C	134.040	0.000
290	1	26	TYR	CE1	C	118.296	0.000
291	1	26	TYR	CE2	C	118.296	0.000
292	1	26	TYR	N	N	115.813	0.000
293	1	27	CYS	H	H	8.785	0.000
294	1	27	CYS	HA	H	3.758	0.000
295	1	27	CYS	HB2	H	2.922	0.000
296	1	27	CYS	HB3	H	2.836	0.000
297	1	27	CYS	CA	C	60.547	0.000
298	1	27	CYS	CB	C	25.726	0.000
299	1	27	CYS	N	N	114.050	0.000
300	1	28	LYS	H	H	8.152	0.000
301	1	28	LYS	HA	H	3.601	0.000
302	1	28	LYS	HB2	H	1.692	0.000
303	1	28	LYS	HB3	H	1.692	0.000
304	1	28	LYS	HG2	H	1.206	0.000
305	1	28	LYS	HG3	H	1.275	0.000
306	1	28	LYS	HE2	H	2.958	0.000
307	1	28	LYS	HE3	H	2.958	0.000
308	1	28	LYS	CA	C	60.750	0.000
309	1	28	LYS	CB	C	33.097	0.000
310	1	28	LYS	CG	C	25.805	0.000
311	1	28	LYS	CE	C	41.460	0.000
312	1	28	LYS	N	N	115.972	0.000
313	1	29	LYS	H	H	10.658	0.000
314	1	29	LYS	HA	H	4.015	0.000
315	1	29	LYS	HB2	H	1.720	0.000
316	1	29	LYS	HB3	H	2.183	0.000
317	1	29	LYS	HG2	H	1.468	0.000
318	1	29	LYS	HG3	H	1.556	0.000
319	1	29	LYS	HD2	H	1.649	0.000
320	1	29	LYS	HD3	H	1.738	0.000
321	1	29	LYS	CA	C	59.148	0.000
322	1	29	LYS	CB	C	30.143	0.000
323	1	29	LYS	CG	C	24.835	0.000
324	1	29	LYS	CD	C	27.693	0.000
325	1	29	LYS	N	N	120.970	0.000
326	1	30	GLN	H	H	9.924	0.000
327	1	30	GLN	HA	H	4.091	0.000
328	1	30	GLN	HE21	H	9.355	0.000
329	1	30	GLN	HE22	H	7.223	0.000
330	1	30	GLN	CA	C	59.508	0.000
331	1	30	GLN	CB	C	31.811	0.000
332	1	30	GLN	N	N	120.555	0.000
333	1	30	GLN	NE2	N	112.031	0.015
334	1	31	CYS	H	H	8.627	0.000
335	1	31	CYS	HA	H	4.232	0.000
336	1	31	CYS	HB2	H	2.958	0.000
337	1	31	CYS	HB3	H	2.842	0.000
338	1	31	CYS	CA	C	64.491	0.000
339	1	31	CYS	CB	C	26.670	0.000
340	1	31	CYS	N	N	119.146	0.000
341	1	32	ARG	H	H	8.784	0.000
342	1	32	ARG	HA	H	3.887	0.000
343	1	32	ARG	HB2	H	1.858	0.000
344	1	32	ARG	HB3	H	1.506	0.000
345	1	32	ARG	CA	C	59.412	0.000
346	1	32	ARG	CB	C	29.075	0.000
347	1	32	ARG	N	N	119.210	0.000
348	1	33	ARG	H	H	7.858	0.000
349	1	33	ARG	HA	H	3.934	0.000
350	1	33	ARG	HB2	H	1.839	0.000
351	1	33	ARG	CA	C	58.271	0.000
352	1	33	ARG	CB	C	28.686	0.000
353	1	33	ARG	N	N	119.937	0.000
354	1	34	LEU	H	H	7.353	0.000
355	1	34	LEU	HA	H	4.084	0.000
356	1	34	LEU	HB2	H	1.777	0.000
357	1	34	LEU	HB3	H	1.058	0.000
358	1	34	LEU	HG	H	0.982	0.000
359	1	34	LEU	HD11	H	-0.242	0.000
360	1	34	LEU	HD12	H	-0.242	0.000
361	1	34	LEU	HD13	H	-0.242	0.000
362	1	34	LEU	HD21	H	0.525	0.000
363	1	34	LEU	HD22	H	0.525	0.000
364	1	34	LEU	HD23	H	0.525	0.000
365	1	34	LEU	CA	C	58.254	0.000
366	1	34	LEU	CB	C	39.989	0.000
367	1	34	LEU	CG	C	27.007	0.000
368	1	34	LEU	CD1	C	24.994	0.000
369	1	34	LEU	CD2	C	22.492	0.000
370	1	34	LEU	N	N	120.755	0.000
371	1	35	GLY	H	H	8.025	0.000
372	1	35	GLY	HA2	H	3.461	0.000
373	1	35	GLY	HA3	H	4.108	0.000
374	1	35	GLY	CA	C	48.293	0.000
375	1	35	GLY	N	N	105.496	0.000
376	1	36	HIS	H	H	8.453	0.000
377	1	36	HIS	HA	H	4.251	0.000
378	1	36	HIS	HB2	H	3.166	0.000
379	1	36	HIS	HB3	H	3.213	0.000
380	1	36	HIS	HD2	H	6.996	0.000
381	1	36	HIS	HE1	H	7.910	0.000
382	1	36	HIS	CA	C	59.694	0.000
383	1	36	HIS	CB	C	30.640	0.000
384	1	36	HIS	CD2	C	119.362	0.000
385	1	36	HIS	CE1	C	137.999	0.000
386	1	36	HIS	N	N	120.964	0.000
387	1	37	ARG	H	H	8.706	0.000
388	1	37	ARG	HA	H	4.104	0.000
389	1	37	ARG	CA	C	59.497	0.000
390	1	37	ARG	CB	C	29.980	0.000
391	1	37	ARG	N	N	122.122	0.000
392	1	38	VAL	H	H	8.565	0.000
393	1	38	VAL	HA	H	3.421	0.000
394	1	38	VAL	HB	H	2.143	0.000
395	1	38	VAL	HG11	H	0.875	0.000
396	1	38	VAL	HG12	H	0.875	0.000
397	1	38	VAL	HG13	H	0.875	0.000
398	1	38	VAL	HG21	H	0.917	0.000
399	1	38	VAL	HG22	H	0.917	0.000
400	1	38	VAL	HG23	H	0.917	0.000
401	1	38	VAL	CA	C	67.969	0.000
402	1	38	VAL	CB	C	31.238	0.000
403	1	38	VAL	CG1	C	23.832	0.000
404	1	38	VAL	CG2	C	22.746	0.000
405	1	38	VAL	N	N	118.970	0.000
406	1	39	LEU	H	H	8.089	0.000
407	1	39	LEU	HA	H	3.894	0.000
408	1	39	LEU	HB2	H	1.509	0.000
409	1	39	LEU	HB3	H	1.435	0.000
410	1	39	LEU	HG	H	1.508	0.000
411	1	39	LEU	HD11	H	0.307	0.000
412	1	39	LEU	HD12	H	0.307	0.000
413	1	39	LEU	HD13	H	0.307	0.000
414	1	39	LEU	HD21	H	0.373	0.000
415	1	39	LEU	HD22	H	0.373	0.000
416	1	39	LEU	HD23	H	0.373	0.000
417	1	39	LEU	CA	C	58.007	0.000
418	1	39	LEU	CB	C	41.219	0.000
419	1	39	LEU	CG	C	26.053	0.000
420	1	39	LEU	CD1	C	23.608	0.000
421	1	39	LEU	CD2	C	22.757	0.000
422	1	39	LEU	N	N	118.732	0.000
423	1	40	GLY	H	H	7.803	0.000
424	1	40	GLY	HA2	H	3.765	0.000
425	1	40	GLY	HA3	H	3.787	0.000
426	1	40	GLY	CA	C	46.501	0.000
427	1	40	GLY	N	N	104.746	0.000
428	1	41	LEU	H	H	7.707	0.000
429	1	41	LEU	HA	H	3.580	0.000
430	1	41	LEU	HB2	H	0.958	0.000
431	1	41	LEU	HB3	H	1.847	0.000
432	1	41	LEU	HG	H	1.875	0.000
433	1	41	LEU	HD11	H	-0.159	0.000
434	1	41	LEU	HD12	H	-0.159	0.000
435	1	41	LEU	HD13	H	-0.159	0.000
436	1	41	LEU	HD21	H	0.828	0.000
437	1	41	LEU	HD22	H	0.828	0.000
438	1	41	LEU	HD23	H	0.828	0.000
439	1	41	LEU	CA	C	56.516	0.000
440	1	41	LEU	CB	C	41.155	0.000
441	1	41	LEU	CG	C	25.568	0.000
442	1	41	LEU	CD1	C	20.556	0.000
443	1	41	LEU	CD2	C	26.079	0.000
444	1	41	LEU	N	N	120.643	0.000
445	1	42	ILE	H	H	7.616	0.000
446	1	42	ILE	HA	H	4.289	0.000
447	1	42	ILE	HB	H	2.184	0.000
448	1	42	ILE	HG12	H	1.514	0.000
449	1	42	ILE	HG13	H	1.751	0.000
450	1	42	ILE	HG21	H	1.105	0.000
451	1	42	ILE	HG22	H	1.105	0.000
452	1	42	ILE	HG23	H	1.105	0.000
453	1	42	ILE	HD11	H	0.956	0.000
454	1	42	ILE	HD12	H	0.956	0.000
455	1	42	ILE	HD13	H	0.956	0.000
456	1	42	ILE	CA	C	62.163	0.000
457	1	42	ILE	CB	C	38.154	0.000
458	1	42	ILE	CG1	C	27.736	0.000
459	1	42	ILE	CG2	C	19.011	0.000
460	1	42	ILE	CD1	C	13.935	0.000
461	1	42	ILE	N	N	108.813	0.000
462	1	43	LYS	H	H	7.779	0.000
463	1	43	LYS	HA	H	4.470	0.000
464	1	43	LYS	HB2	H	1.958	0.000
465	1	43	LYS	HB3	H	2.018	0.000
466	1	43	LYS	HG2	H	1.511	0.000
467	1	43	LYS	HG3	H	1.551	0.000
468	1	43	LYS	HD2	H	1.704	0.000
469	1	43	LYS	HD3	H	1.704	0.000
470	1	43	LYS	HE2	H	2.916	0.000
471	1	43	LYS	HE3	H	2.916	0.000
472	1	43	LYS	CA	C	60.602	0.000
473	1	43	LYS	CB	C	29.269	0.000
474	1	43	LYS	CG	C	24.792	0.000
475	1	43	LYS	CD	C	28.421	0.000
476	1	43	LYS	CE	C	41.710	0.000
477	1	43	LYS	N	N	123.298	0.000
478	1	44	PRO	HA	H	4.423	0.000
479	1	44	PRO	HB2	H	2.488	0.000
480	1	44	PRO	HB3	H	1.844	0.000
481	1	44	PRO	HG2	H	2.111	0.000
482	1	44	PRO	HG3	H	2.225	0.000
483	1	44	PRO	HD2	H	3.565	0.000
484	1	44	PRO	HD3	H	3.848	0.000
485	1	44	PRO	CA	C	65.651	0.000
486	1	44	PRO	CB	C	31.342	0.000
487	1	44	PRO	CG	C	28.417	0.000
488	1	44	PRO	CD	C	50.423	0.000
489	1	45	LEU	H	H	7.088	0.000
490	1	45	LEU	HA	H	4.065	0.000
491	1	45	LEU	HB2	H	1.404	0.000
492	1	45	LEU	HB3	H	2.243	0.000
493	1	45	LEU	HG	H	2.026	0.000
494	1	45	LEU	HD11	H	1.001	0.000
495	1	45	LEU	HD12	H	1.001	0.000
496	1	45	LEU	HD13	H	1.001	0.000
497	1	45	LEU	HD21	H	0.863	0.000
498	1	45	LEU	HD22	H	0.863	0.000
499	1	45	LEU	HD23	H	0.863	0.000
500	1	45	LEU	CA	C	57.246	0.000
501	1	45	LEU	CB	C	40.361	0.000
502	1	45	LEU	CG	C	27.206	0.000
503	1	45	LEU	CD1	C	26.064	0.000
504	1	45	LEU	CD2	C	23.269	0.000
505	1	45	LEU	N	N	114.659	0.000
506	1	46	GLU	H	H	8.289	0.000
507	1	46	GLU	HA	H	3.909	0.000
508	1	46	GLU	HB2	H	2.298	0.000
509	1	46	GLU	HB3	H	2.127	0.000
510	1	46	GLU	HG2	H	2.382	0.000
511	1	46	GLU	HG3	H	2.124	0.000
512	1	46	GLU	CA	C	59.566	0.000
513	1	46	GLU	CB	C	29.846	0.000
514	1	46	GLU	CG	C	37.730	0.000
515	1	46	GLU	N	N	119.603	0.000
516	1	47	MET	H	H	7.718	0.000
517	1	47	MET	HA	H	4.310	0.000
518	1	47	MET	HB2	H	2.217	0.000
519	1	47	MET	HB3	H	2.217	0.000
520	1	47	MET	HG2	H	2.763	0.000
521	1	47	MET	HG3	H	2.621	0.000
522	1	47	MET	HE1	H	2.115	0.000
523	1	47	MET	HE2	H	2.115	0.000
524	1	47	MET	HE3	H	2.115	0.000
525	1	47	MET	CA	C	57.485	0.000
526	1	47	MET	CB	C	32.143	0.000
527	1	47	MET	CG	C	32.040	0.000
528	1	47	MET	CE	C	16.874	0.000
529	1	47	MET	N	N	116.586	0.000
530	1	48	LEU	H	H	7.608	0.000
531	1	48	LEU	HA	H	4.293	0.000
532	1	48	LEU	HB2	H	1.853	0.000
533	1	48	LEU	HB3	H	1.700	0.000
534	1	48	LEU	HG	H	1.885	0.000
535	1	48	LEU	HD11	H	0.912	0.000
536	1	48	LEU	HD12	H	0.912	0.000
537	1	48	LEU	HD13	H	0.912	0.000
538	1	48	LEU	HD21	H	0.902	0.000
539	1	48	LEU	HD22	H	0.902	0.000
540	1	48	LEU	HD23	H	0.902	0.000
541	1	48	LEU	CA	C	56.581	0.000
542	1	48	LEU	CB	C	42.074	0.000
543	1	48	LEU	CG	C	26.613	0.000
544	1	48	LEU	CD1	C	26.020	0.000
545	1	48	LEU	CD2	C	23.815	0.000
546	1	48	LEU	N	N	119.910	0.000
547	1	49	GLN	HA	H	3.980	0.000
548	1	49	GLN	HB2	H	2.234	0.000
549	1	49	GLN	HB3	H	2.076	0.000
550	1	49	GLN	HG2	H	2.304	0.000
551	1	49	GLN	HG3	H	2.304	0.000
552	1	49	GLN	HE21	H	6.843	0.000
553	1	49	GLN	HE22	H	7.577	0.000
554	1	49	GLN	CA	C	58.412	0.000
555	1	49	GLN	CB	C	29.589	0.000
556	1	49	GLN	CG	C	34.342	0.000
557	1	49	GLN	NE2	N	110.488	0.002
558	1	50	ASP	H	H	8.271	0.000
559	1	50	ASP	HA	H	4.532	0.000
560	1	50	ASP	HB2	H	2.728	0.000
561	1	50	ASP	HB3	H	2.728	0.000
562	1	50	ASP	CA	C	55.868	0.000
563	1	50	ASP	CB	C	40.763	0.000
564	1	50	ASP	N	N	119.680	0.000
565	1	51	GLN	H	H	8.139	0.000
566	1	51	GLN	HA	H	4.217	0.000
567	1	51	GLN	HB2	H	2.141	0.000
568	1	51	GLN	HB3	H	2.236	0.000
569	1	51	GLN	HG2	H	2.469	0.000
570	1	51	GLN	HG3	H	2.375	0.000
571	1	51	GLN	HE21	H	6.942	0.000
572	1	51	GLN	HE22	H	7.623	0.000
573	1	51	GLN	CA	C	56.832	0.000
574	1	51	GLN	CB	C	28.883	0.000
575	1	51	GLN	CG	C	33.876	0.000
576	1	51	GLN	N	N	118.988	0.000
577	1	51	GLN	NE2	N	112.340	0.001
578	1	52	GLY	H	H	8.305	0.000
579	1	52	GLY	HA2	H	3.797	0.000
580	1	52	GLY	HA3	H	3.797	0.000
581	1	52	GLY	CA	C	45.825	0.000
582	1	52	GLY	N	N	107.978	0.000
583	1	53	LYS	H	H	8.076	0.000
584	1	53	LYS	HA	H	4.216	0.000
585	1	53	LYS	HB2	H	1.785	0.000
586	1	53	LYS	HB3	H	1.842	0.000
587	1	53	LYS	HG2	H	1.371	0.000
588	1	53	LYS	HG3	H	1.443	0.000
589	1	53	LYS	HD2	H	1.661	0.000
590	1	53	LYS	HD3	H	1.661	0.000
591	1	53	LYS	HE2	H	2.964	0.000
592	1	53	LYS	HE3	H	2.964	0.000
593	1	53	LYS	CA	C	56.728	0.000
594	1	53	LYS	CB	C	32.591	0.000
595	1	53	LYS	CG	C	24.907	0.000
596	1	53	LYS	CD	C	28.914	0.000
597	1	53	LYS	CE	C	41.738	0.000
598	1	53	LYS	N	N	119.875	0.000
599	1	54	ARG	H	H	8.188	0.000
600	1	54	ARG	HA	H	4.385	0.000
601	1	54	ARG	HB2	H	1.722	0.000
602	1	54	ARG	HB3	H	1.851	0.000
603	1	54	ARG	HG2	H	1.589	0.000
604	1	54	ARG	HG3	H	1.560	0.000
605	1	54	ARG	HD2	H	3.187	0.000
606	1	54	ARG	HD3	H	3.124	0.000
607	1	54	ARG	CA	C	55.768	0.000
608	1	54	ARG	CB	C	30.718	0.000
609	1	54	ARG	CG	C	27.226	0.000
610	1	54	ARG	CD	C	43.252	0.000
611	1	54	ARG	N	N	120.542	0.000
612	1	55	SER	H	H	7.986	0.000
613	1	55	SER	HA	H	4.480	0.000
614	1	55	SER	HB2	H	3.719	0.000
615	1	55	SER	HB3	H	3.799	0.000
616	1	55	SER	CA	C	57.973	0.000
617	1	55	SER	CB	C	64.501	0.000
618	1	55	SER	N	N	116.711	0.000
619	1	56	VAL	H	H	8.416	0.000
620	1	56	VAL	HA	H	4.028	0.000
621	1	56	VAL	HB	H	1.924	0.000
622	1	56	VAL	HG11	H	0.875	0.000
623	1	56	VAL	HG12	H	0.875	0.000
624	1	56	VAL	HG13	H	0.875	0.000
625	1	56	VAL	HG21	H	0.900	0.000
626	1	56	VAL	HG22	H	0.900	0.000
627	1	56	VAL	HG23	H	0.900	0.000
628	1	56	VAL	CA	C	60.054	0.000
629	1	56	VAL	CB	C	32.161	0.000
630	1	56	VAL	CG1	C	20.777	0.000
631	1	56	VAL	CG2	C	20.880	0.000
632	1	56	VAL	N	N	123.403	0.000
633	1	57	PRO	HA	H	4.227	0.000
634	1	57	PRO	HB2	H	1.814	0.000
635	1	57	PRO	HB3	H	1.814	0.000
636	1	57	PRO	CA	C	62.339	0.000
637	1	57	PRO	CB	C	32.597	0.000
638	1	58	SER	H	H	8.934	0.000
639	1	58	SER	HA	H	4.374	0.000
640	1	58	SER	HB2	H	4.047	0.000
641	1	58	SER	HB3	H	4.340	0.000
642	1	58	SER	CA	C	58.249	0.000
643	1	58	SER	CB	C	64.187	0.000
644	1	58	SER	N	N	119.607	0.000
645	1	59	GLU	H	H	9.100	0.000
646	1	59	GLU	HA	H	4.217	0.000
647	1	59	GLU	HB2	H	2.153	0.000
648	1	59	GLU	HB3	H	2.105	0.000
649	1	59	GLU	HG2	H	2.308	0.000
650	1	59	GLU	HG3	H	2.415	0.000
651	1	59	GLU	CA	C	59.834	0.000
652	1	59	GLU	CB	C	29.304	0.000
653	1	59	GLU	CG	C	36.331	0.000
654	1	59	GLU	N	N	123.050	0.000
655	1	60	LYS	H	H	8.488	0.000
656	1	60	LYS	HA	H	4.046	0.000
657	1	60	LYS	HB2	H	1.901	0.000
658	1	60	LYS	HB3	H	1.791	0.000
659	1	60	LYS	HG2	H	1.499	0.000
660	1	60	LYS	HG3	H	1.675	0.000
661	1	60	LYS	HD2	H	1.750	0.000
662	1	60	LYS	HD3	H	1.750	0.000
663	1	60	LYS	HE2	H	3.016	0.000
664	1	60	LYS	HE3	H	3.016	0.000
665	1	60	LYS	CA	C	59.786	0.000
666	1	60	LYS	CB	C	32.505	0.000
667	1	60	LYS	CG	C	25.895	0.000
668	1	60	LYS	CD	C	29.184	0.000
669	1	60	LYS	CE	C	41.712	0.000
670	1	60	LYS	N	N	119.387	0.000
671	1	61	LEU	H	H	8.544	0.000
672	1	61	LEU	HA	H	4.203	0.000
673	1	61	LEU	HB2	H	1.597	0.000
674	1	61	LEU	HB3	H	2.083	0.000
675	1	61	LEU	HD11	H	0.946	0.000
676	1	61	LEU	HD12	H	0.946	0.000
677	1	61	LEU	HD13	H	0.946	0.000
678	1	61	LEU	HD21	H	0.884	0.000
679	1	61	LEU	HD22	H	0.884	0.000
680	1	61	LEU	HD23	H	0.884	0.000
681	1	61	LEU	CA	C	58.133	0.000
682	1	61	LEU	CB	C	40.508	0.000
683	1	61	LEU	CD1	C	24.249	0.000
684	1	61	LEU	CD2	C	27.077	0.000
685	1	61	LEU	N	N	123.239	0.000
686	1	62	THR	H	H	8.883	0.000
687	1	62	THR	HA	H	4.303	0.000
688	1	62	THR	HB	H	4.501	0.000
689	1	62	THR	HG21	H	1.218	0.000
690	1	62	THR	HG22	H	1.218	0.000
691	1	62	THR	HG23	H	1.218	0.000
692	1	62	THR	CA	C	67.339	0.000
693	1	62	THR	CB	C	68.834	0.000
694	1	62	THR	CG2	C	21.403	0.000
695	1	62	THR	N	N	119.693	0.000
696	1	63	THR	H	H	8.639	0.000
697	1	63	THR	HA	H	4.033	0.000
698	1	63	THR	HB	H	4.286	0.000
699	1	63	THR	HG21	H	1.287	0.000
700	1	63	THR	HG22	H	1.287	0.000
701	1	63	THR	HG23	H	1.287	0.000
702	1	63	THR	CA	C	67.138	0.000
703	1	63	THR	CB	C	68.615	0.000
704	1	63	THR	CG2	C	21.641	0.000
705	1	63	THR	N	N	118.782	0.000
706	1	64	ALA	H	H	8.108	0.000
707	1	64	ALA	HA	H	4.176	0.000
708	1	64	ALA	HB1	H	1.463	0.000
709	1	64	ALA	HB2	H	1.463	0.000
710	1	64	ALA	HB3	H	1.463	0.000
711	1	64	ALA	CA	C	55.546	0.000
712	1	64	ALA	CB	C	18.744	0.000
713	1	64	ALA	N	N	124.781	0.000
714	1	65	MET	H	H	9.175	0.000
715	1	65	MET	HB2	H	2.285	0.000
716	1	65	MET	HB3	H	2.544	0.000
717	1	65	MET	HE1	H	1.738	0.000
718	1	65	MET	HE2	H	1.738	0.000
719	1	65	MET	HE3	H	1.738	0.000
720	1	65	MET	CB	C	32.209	0.000
721	1	65	MET	CE	C	17.106	0.000
722	1	65	MET	N	N	119.727	0.000
723	1	66	ASN	H	H	8.713	0.000
724	1	66	ASN	HA	H	4.806	0.000
725	1	66	ASN	HB2	H	3.083	0.000
726	1	66	ASN	HB3	H	2.795	0.000
727	1	66	ASN	HD21	H	6.888	0.000
728	1	66	ASN	HD22	H	7.538	0.000
729	1	66	ASN	CA	C	55.633	0.000
730	1	66	ASN	CB	C	37.457	0.000
731	1	66	ASN	N	N	119.924	0.000
732	1	66	ASN	ND2	N	111.413	0.002
733	1	67	ARG	H	H	8.368	0.000
734	1	67	ARG	HA	H	4.263	0.000
735	1	67	ARG	HB2	H	2.031	0.000
736	1	67	ARG	HB3	H	2.182	0.000
737	1	67	ARG	HG2	H	1.718	0.000
738	1	67	ARG	HG3	H	2.025	0.000
739	1	67	ARG	HD2	H	3.283	0.000
740	1	67	ARG	HD3	H	3.283	0.000
741	1	67	ARG	CA	C	59.784	0.000
742	1	67	ARG	CB	C	30.303	0.000
743	1	67	ARG	CG	C	28.192	0.000
744	1	67	ARG	CD	C	43.771	0.000
745	1	67	ARG	N	N	123.463	0.000
746	1	68	PHE	H	H	8.539	0.000
747	1	68	PHE	HA	H	4.530	0.000
748	1	68	PHE	HB2	H	3.287	0.000
749	1	68	PHE	HB3	H	3.579	0.000
750	1	68	PHE	HD1	H	7.273	0.000
751	1	68	PHE	HD2	H	7.273	0.000
752	1	68	PHE	CA	C	60.420	0.000
753	1	68	PHE	CB	C	39.262	0.000
754	1	68	PHE	CD1	C	131.196	0.000
755	1	68	PHE	CD2	C	131.196	0.000
756	1	68	PHE	N	N	123.476	0.000
757	1	69	LYS	H	H	8.836	0.000
758	1	69	LYS	HA	H	3.603	0.000
759	1	69	LYS	HB2	H	1.883	0.000
760	1	69	LYS	HB3	H	2.179	0.000
761	1	69	LYS	HG2	H	1.275	0.000
762	1	69	LYS	HG3	H	1.413	0.000
763	1	69	LYS	HD2	H	1.731	0.000
764	1	69	LYS	HE2	H	2.934	0.000
765	1	69	LYS	HE3	H	2.934	0.000
766	1	69	LYS	CA	C	60.649	0.000
767	1	69	LYS	CB	C	32.418	0.000
768	1	69	LYS	CG	C	24.863	0.000
769	1	69	LYS	CD	C	28.978	0.000
770	1	69	LYS	CE	C	41.785	0.000
771	1	69	LYS	N	N	120.315	0.000
772	1	70	ALA	H	H	8.073	0.000
773	1	70	ALA	HA	H	4.279	0.000
774	1	70	ALA	HB1	H	1.562	0.000
775	1	70	ALA	HB2	H	1.562	0.000
776	1	70	ALA	HB3	H	1.562	0.000
777	1	70	ALA	CA	C	54.950	0.000
778	1	70	ALA	CB	C	17.712	0.000
779	1	70	ALA	N	N	118.948	0.000
780	1	71	ALA	H	H	8.010	0.000
781	1	71	ALA	HA	H	4.215	0.000
782	1	71	ALA	HB1	H	1.571	0.000
783	1	71	ALA	HB2	H	1.571	0.000
784	1	71	ALA	HB3	H	1.571	0.000
785	1	71	ALA	CA	C	55.211	0.000
786	1	71	ALA	CB	C	17.596	0.000
787	1	71	ALA	N	N	122.476	0.000
788	1	72	LEU	H	H	8.150	0.000
789	1	72	LEU	HA	H	3.854	0.000
790	1	72	LEU	HB2	H	1.063	0.000
791	1	72	LEU	HB3	H	2.022	0.000
792	1	72	LEU	HG	H	1.181	0.000
793	1	72	LEU	HD11	H	0.510	0.000
794	1	72	LEU	HD12	H	0.510	0.000
795	1	72	LEU	HD13	H	0.510	0.000
796	1	72	LEU	HD21	H	0.330	0.000
797	1	72	LEU	HD22	H	0.330	0.000
798	1	72	LEU	HD23	H	0.330	0.000
799	1	72	LEU	CA	C	57.617	0.000
800	1	72	LEU	CB	C	40.946	0.000
801	1	72	LEU	CG	C	25.947	0.000
802	1	72	LEU	CD1	C	23.061	0.000
803	1	72	LEU	CD2	C	26.628	0.000
804	1	72	LEU	N	N	118.914	0.000
805	1	73	GLU	H	H	8.699	0.000
806	1	73	GLU	HA	H	3.945	0.000
807	1	73	GLU	HB2	H	1.991	0.000
808	1	73	GLU	HB3	H	2.296	0.000
809	1	73	GLU	HG2	H	2.518	0.000
810	1	73	GLU	HG3	H	2.208	0.000
811	1	73	GLU	CA	C	59.793	0.000
812	1	73	GLU	CB	C	28.851	0.000
813	1	73	GLU	CG	C	37.178	0.000
814	1	73	GLU	N	N	120.236	0.000
815	1	74	GLU	H	H	8.400	0.000
816	1	74	GLU	HA	H	4.087	0.000
817	1	74	GLU	HB2	H	2.222	0.000
818	1	74	GLU	HB3	H	2.115	0.000
819	1	74	GLU	HG2	H	2.467	0.000
820	1	74	GLU	HG3	H	2.107	0.000
821	1	74	GLU	CA	C	59.666	0.000
822	1	74	GLU	CB	C	29.070	0.000
823	1	74	GLU	CG	C	36.339	0.000
824	1	74	GLU	N	N	122.478	0.000
825	1	75	ALA	H	H	8.475	0.000
826	1	75	ALA	HA	H	3.909	0.000
827	1	75	ALA	HB1	H	1.447	0.000
828	1	75	ALA	HB2	H	1.447	0.000
829	1	75	ALA	HB3	H	1.447	0.000
830	1	75	ALA	CA	C	55.859	0.000
831	1	75	ALA	CB	C	16.974	0.000
832	1	75	ALA	N	N	123.123	0.000
833	1	76	ASN	H	H	8.555	0.000
834	1	76	ASN	HA	H	4.491	0.000
835	1	76	ASN	HB2	H	2.933	0.000
836	1	76	ASN	HB3	H	2.559	0.000
837	1	76	ASN	HD21	H	6.470	0.000
838	1	76	ASN	HD22	H	7.558	0.000
839	1	76	ASN	CA	C	56.064	0.000
840	1	76	ASN	CB	C	38.612	0.000
841	1	76	ASN	N	N	115.789	0.000
842	1	76	ASN	ND2	N	110.357	0.010
843	1	77	GLY	H	H	8.118	0.000
844	1	77	GLY	HA2	H	4.014	0.000
845	1	77	GLY	HA3	H	3.914	0.000
846	1	77	GLY	CA	C	46.943	0.000
847	1	77	GLY	N	N	105.536	0.000
848	1	78	GLU	H	H	8.167	0.000
849	1	78	GLU	HA	H	4.137	0.000
850	1	78	GLU	HB2	H	2.413	0.000
851	1	78	GLU	HG2	H	2.488	0.000
852	1	78	GLU	CA	C	58.584	0.000
853	1	78	GLU	CB	C	29.478	0.000
854	1	78	GLU	CG	C	36.111	0.000
855	1	78	GLU	N	N	123.603	0.000
856	1	79	ILE	H	H	8.434	0.000
857	1	79	ILE	HA	H	3.862	0.000
858	1	79	ILE	HB	H	2.072	0.000
859	1	79	ILE	HG12	H	1.092	0.000
860	1	79	ILE	HG13	H	1.604	0.000
861	1	79	ILE	HG21	H	0.943	0.000
862	1	79	ILE	HG22	H	0.943	0.000
863	1	79	ILE	HG23	H	0.943	0.000
864	1	79	ILE	HD11	H	0.804	0.000
865	1	79	ILE	HD12	H	0.804	0.000
866	1	79	ILE	HD13	H	0.804	0.000
867	1	79	ILE	CA	C	65.425	0.000
868	1	79	ILE	CB	C	37.732	0.000
869	1	79	ILE	CG1	C	28.908	0.000
870	1	79	ILE	CG2	C	17.798	0.000
871	1	79	ILE	CD1	C	16.782	0.000
872	1	79	ILE	N	N	120.494	0.000
873	1	80	GLU	H	H	7.910	0.000
874	1	80	GLU	HA	H	3.950	0.000
875	1	80	GLU	HB2	H	2.105	0.000
876	1	80	GLU	HB3	H	2.105	0.000
877	1	80	GLU	HG2	H	2.271	0.000
878	1	80	GLU	HG3	H	2.271	0.000
879	1	80	GLU	CA	C	59.488	0.000
880	1	80	GLU	CB	C	29.254	0.000
881	1	80	GLU	CG	C	35.468	0.000
882	1	80	GLU	N	N	119.601	0.000
883	1	81	LYS	H	H	7.780	0.000
884	1	81	LYS	HA	H	3.919	0.000
885	1	81	LYS	HB2	H	1.542	0.000
886	1	81	LYS	HB3	H	1.644	0.000
887	1	81	LYS	HG2	H	1.245	0.000
888	1	81	LYS	HG3	H	1.245	0.000
889	1	81	LYS	HD2	H	1.364	0.000
890	1	81	LYS	HD3	H	1.249	0.000
891	1	81	LYS	HE2	H	2.504	0.000
892	1	81	LYS	HE3	H	2.332	0.000
893	1	81	LYS	CA	C	59.806	0.000
894	1	81	LYS	CB	C	32.049	0.000
895	1	81	LYS	CG	C	24.076	0.000
896	1	81	LYS	CD	C	29.135	0.000
897	1	81	LYS	CE	C	41.028	0.000
898	1	81	LYS	N	N	121.674	0.000
899	1	82	PHE	H	H	8.283	0.000
900	1	82	PHE	HA	H	4.752	0.000
901	1	82	PHE	HB2	H	3.358	0.000
902	1	82	PHE	HB3	H	3.358	0.000
903	1	82	PHE	HD1	H	6.810	0.000
904	1	82	PHE	HD2	H	6.810	0.000
905	1	82	PHE	CA	C	58.101	0.000
906	1	82	PHE	CB	C	36.504	0.000
907	1	82	PHE	CD1	C	130.450	0.000
908	1	82	PHE	CD2	C	130.450	0.000
909	1	82	PHE	N	N	115.911	0.000
910	1	83	SER	H	H	7.728	0.000
911	1	83	SER	HA	H	4.539	0.000
912	1	83	SER	HB2	H	4.093	0.000
913	1	83	SER	HB3	H	4.146	0.000
914	1	83	SER	CA	C	60.371	0.000
915	1	83	SER	CB	C	63.564	0.000
916	1	83	SER	N	N	113.407	0.000
917	1	84	ASN	H	H	7.345	0.000
918	1	84	ASN	HA	H	5.012	0.000
919	1	84	ASN	HB2	H	2.895	0.000
920	1	84	ASN	HB3	H	3.055	0.000
921	1	84	ASN	HD21	H	7.112	0.000
922	1	84	ASN	HD22	H	7.772	0.000
923	1	84	ASN	CA	C	52.165	0.000
924	1	84	ASN	CB	C	40.103	0.000
925	1	84	ASN	N	N	119.576	0.000
926	1	84	ASN	ND2	N	113.719	0.001
927	1	86	SER	H	H	8.471	0.000
928	1	86	SER	HA	H	4.227	0.000
929	1	86	SER	HB2	H	3.959	0.000
930	1	86	SER	HB3	H	3.959	0.000
931	1	86	SER	CA	C	61.866	0.000
932	1	86	SER	CB	C	62.232	0.000
933	1	86	SER	N	N	114.780	0.000
934	1	87	ASN	H	H	8.063	0.000
935	1	87	ASN	HA	H	4.619	0.000
936	1	87	ASN	HB2	H	2.617	0.000
937	1	87	ASN	HB3	H	3.329	0.000
938	1	87	ASN	HD21	H	7.257	0.000
939	1	87	ASN	HD22	H	8.325	0.000
940	1	87	ASN	CA	C	55.393	0.000
941	1	87	ASN	CB	C	37.277	0.000
942	1	87	ASN	N	N	119.640	0.000
943	1	87	ASN	ND2	N	113.446	0.015
944	1	88	ILE	H	H	7.810	0.000
945	1	88	ILE	HA	H	3.801	0.000
946	1	88	ILE	HB	H	2.044	0.000
947	1	88	ILE	HG12	H	0.990	0.000
948	1	88	ILE	HG13	H	1.585	0.000
949	1	88	ILE	HG21	H	0.452	0.000
950	1	88	ILE	HG22	H	0.452	0.000
951	1	88	ILE	HG23	H	0.452	0.000
952	1	88	ILE	HD11	H	0.877	0.000
953	1	88	ILE	HD12	H	0.877	0.000
954	1	88	ILE	HD13	H	0.877	0.000
955	1	88	ILE	CA	C	64.783	0.000
956	1	88	ILE	CB	C	37.305	0.000
957	1	88	ILE	CG1	C	28.933	0.000
958	1	88	ILE	CG2	C	17.942	0.000
959	1	88	ILE	CD1	C	13.965	0.000
960	1	88	ILE	N	N	122.362	0.000
961	1	89	CYS	H	H	8.391	0.000
962	1	89	CYS	HA	H	3.956	0.000
963	1	89	CYS	HB2	H	3.066	0.000
964	1	89	CYS	HB3	H	3.066	0.000
965	1	89	CYS	CA	C	63.781	0.000
966	1	89	CYS	CB	C	26.562	0.000
967	1	89	CYS	N	N	119.433	0.000
968	1	90	ARG	H	H	7.974	0.000
969	1	90	ARG	HA	H	4.036	0.000
970	1	90	ARG	HB2	H	1.976	0.000
971	1	90	ARG	HB3	H	1.976	0.000
972	1	90	ARG	HG2	H	1.838	0.000
973	1	90	ARG	HG3	H	1.677	0.000
974	1	90	ARG	HD2	H	3.274	0.000
975	1	90	ARG	HD3	H	3.274	0.000
976	1	90	ARG	CA	C	59.446	0.000
977	1	90	ARG	CB	C	30.185	0.000
978	1	90	ARG	CG	C	27.757	0.000
979	1	90	ARG	CD	C	43.232	0.000
980	1	90	ARG	N	N	119.230	0.000
981	1	91	PHE	H	H	7.814	0.000
982	1	91	PHE	HA	H	4.246	0.000
983	1	91	PHE	HB2	H	3.395	0.000
984	1	91	PHE	HB3	H	3.111	0.000
985	1	91	PHE	HD1	H	7.054	0.000
986	1	91	PHE	HD2	H	7.054	0.000
987	1	91	PHE	CA	C	61.417	0.000
988	1	91	PHE	CB	C	39.665	0.000
989	1	91	PHE	CD1	C	132.320	0.000
990	1	91	PHE	CD2	C	132.320	0.000
991	1	91	PHE	N	N	120.432	0.000
992	1	92	LEU	H	H	8.690	0.000
993	1	92	LEU	HA	H	3.640	0.000
994	1	92	LEU	HB2	H	1.212	0.000
995	1	92	LEU	HB3	H	1.695	0.000
996	1	92	LEU	HG	H	1.701	0.000
997	1	92	LEU	HD11	H	0.734	0.000
998	1	92	LEU	HD12	H	0.734	0.000
999	1	92	LEU	HD13	H	0.734	0.000
1000	1	92	LEU	HD21	H	0.379	0.000
1001	1	92	LEU	HD22	H	0.379	0.000
1002	1	92	LEU	HD23	H	0.379	0.000
1003	1	92	LEU	CA	C	57.617	0.000
1004	1	92	LEU	CB	C	41.541	0.000
1005	1	92	LEU	CG	C	26.836	0.000
1006	1	92	LEU	CD1	C	22.648	0.000
1007	1	92	LEU	CD2	C	26.382	0.000
1008	1	92	LEU	N	N	118.309	0.000
1009	1	93	THR	H	H	7.767	0.000
1010	1	93	THR	HA	H	3.994	0.000
1011	1	93	THR	HB	H	4.208	0.000
1012	1	93	THR	HG21	H	1.252	0.000
1013	1	93	THR	HG22	H	1.252	0.000
1014	1	93	THR	HG23	H	1.252	0.000
1015	1	93	THR	CA	C	65.314	0.000
1016	1	93	THR	CB	C	69.157	0.000
1017	1	93	THR	CG2	C	21.387	0.000
1018	1	93	THR	N	N	112.337	0.000
1019	1	94	ALA	H	H	7.224	0.000
1020	1	94	ALA	HA	H	4.294	0.000
1021	1	94	ALA	HB1	H	1.365	0.000
1022	1	94	ALA	HB2	H	1.365	0.000
1023	1	94	ALA	HB3	H	1.365	0.000
1024	1	94	ALA	CA	C	52.770	0.000
1025	1	94	ALA	CB	C	19.791	0.000
1026	1	94	ALA	N	N	122.339	0.000
1027	1	95	SER	H	H	7.543	0.000
1028	1	95	SER	HA	H	4.151	0.000
1029	1	95	SER	HB2	H	3.098	0.000
1030	1	95	SER	HB3	H	3.098	0.000
1031	1	95	SER	CA	C	57.602	0.000
1032	1	95	SER	CB	C	63.942	0.000
1033	1	95	SER	N	N	113.149	0.000
1034	1	96	GLN	HA	H	4.237	0.000
1035	1	96	GLN	HB2	H	2.051	0.000
1036	1	96	GLN	HB3	H	2.120	0.000
1037	1	96	GLN	HG2	H	2.395	0.000
1038	1	96	GLN	HG3	H	2.395	0.000
1039	1	96	GLN	HE21	H	6.892	0.000
1040	1	96	GLN	HE22	H	7.559	0.000
1041	1	96	GLN	CA	C	57.659	0.000
1042	1	96	GLN	CB	C	28.917	0.000
1043	1	96	GLN	CG	C	33.877	0.000
1044	1	96	GLN	NE2	N	112.923	0.002
1045	1	97	ASP	H	H	7.870	0.000
1046	1	97	ASP	HA	H	4.581	0.000
1047	1	97	ASP	HB2	H	2.583	0.000
1048	1	97	ASP	HB3	H	2.885	0.000
1049	1	97	ASP	CA	C	53.944	0.000
1050	1	97	ASP	CB	C	41.534	0.000
1051	1	97	ASP	N	N	116.688	0.000
1052	1	99	ILE	HA	H	4.365	0.000
1053	1	99	ILE	HB	H	1.705	0.000
1054	1	99	ILE	HG12	H	0.746	0.000
1055	1	99	ILE	HG13	H	1.536	0.000
1056	1	99	ILE	HG21	H	0.975	0.000
1057	1	99	ILE	HG22	H	0.975	0.000
1058	1	99	ILE	HG23	H	0.975	0.000
1059	1	99	ILE	HD11	H	0.822	0.000
1060	1	99	ILE	HD12	H	0.822	0.000
1061	1	99	ILE	HD13	H	0.822	0.000
1062	1	99	ILE	CA	C	60.793	0.000
1063	1	99	ILE	CB	C	37.801	0.000
1064	1	99	ILE	CG1	C	27.463	0.000
1065	1	99	ILE	CG2	C	18.898	0.000
1066	1	99	ILE	CD1	C	13.437	0.000
1067	1	100	LEU	H	H	8.686	0.000
1068	1	100	LEU	HA	H	3.137	0.000
1069	1	100	LEU	HB2	H	0.522	0.000
1070	1	100	LEU	HB3	H	0.218	0.000
1071	1	100	LEU	HG	H	0.135	0.000
1072	1	100	LEU	HD11	H	-0.373	0.000
1073	1	100	LEU	HD12	H	-0.373	0.000
1074	1	100	LEU	HD13	H	-0.373	0.000
1075	1	100	LEU	HD21	H	-0.231	0.000
1076	1	100	LEU	HD22	H	-0.231	0.000
1077	1	100	LEU	HD23	H	-0.231	0.000
1078	1	100	LEU	CA	C	58.013	0.000
1079	1	100	LEU	CB	C	42.950	0.000
1080	1	100	LEU	CG	C	26.029	0.000
1081	1	100	LEU	CD1	C	23.239	0.000
1082	1	100	LEU	CD2	C	24.169	0.000
1083	1	100	LEU	N	N	131.338	0.000
1084	1	101	PHE	H	H	8.559	0.000
1085	1	101	PHE	HA	H	5.114	0.000
1086	1	101	PHE	HB2	H	2.645	0.000
1087	1	101	PHE	HB3	H	3.424	0.000
1088	1	101	PHE	HD1	H	7.130	0.000
1089	1	101	PHE	HD2	H	7.130	0.000
1090	1	101	PHE	CA	C	55.542	0.000
1091	1	101	PHE	CB	C	37.383	0.000
1092	1	101	PHE	CD1	C	129.627	0.000
1093	1	101	PHE	CD2	C	129.627	0.000
1094	1	101	PHE	N	N	113.834	0.000
1095	1	102	LYS	H	H	6.831	0.000
1096	1	102	LYS	HA	H	3.890	0.000
1097	1	102	LYS	HB2	H	1.854	0.000
1098	1	102	LYS	HB3	H	1.940	0.000
1099	1	102	LYS	HG2	H	1.651	0.000
1100	1	102	LYS	HG3	H	1.413	0.000
1101	1	102	LYS	HD2	H	1.840	0.000
1102	1	102	LYS	HD3	H	1.880	0.000
1103	1	102	LYS	HE2	H	3.115	0.000
1104	1	102	LYS	HE3	H	3.115	0.000
1105	1	102	LYS	CA	C	61.185	0.000
1106	1	102	LYS	CB	C	33.292	0.000
1107	1	102	LYS	CG	C	24.171	0.000
1108	1	102	LYS	CD	C	29.512	0.000
1109	1	102	LYS	CE	C	41.734	0.000
1110	1	102	LYS	N	N	119.587	0.000
1111	1	103	ASP	H	H	8.611	0.000
1112	1	103	ASP	HA	H	4.637	0.000
1113	1	103	ASP	HB2	H	2.726	0.000
1114	1	103	ASP	HB3	H	2.810	0.000
1115	1	103	ASP	CA	C	58.008	0.000
1116	1	103	ASP	CB	C	40.294	0.000
1117	1	103	ASP	N	N	117.941	0.000
1118	1	104	VAL	H	H	8.363	0.000
1119	1	104	VAL	HA	H	3.894	0.000
1120	1	104	VAL	HB	H	2.203	0.000
1121	1	104	VAL	HG11	H	1.150	0.000
1122	1	104	VAL	HG12	H	1.150	0.000
1123	1	104	VAL	HG13	H	1.150	0.000
1124	1	104	VAL	HG21	H	1.006	0.000
1125	1	104	VAL	HG22	H	1.006	0.000
1126	1	104	VAL	HG23	H	1.006	0.000
1127	1	104	VAL	CA	C	65.796	0.000
1128	1	104	VAL	CB	C	31.979	0.000
1129	1	104	VAL	CG1	C	23.552	0.000
1130	1	104	VAL	CG2	C	21.336	0.000
1131	1	104	VAL	N	N	122.948	0.000
1132	1	105	ASN	H	H	9.125	0.000
1133	1	105	ASN	HA	H	4.591	0.000
1134	1	105	ASN	HB2	H	2.906	0.000
1135	1	105	ASN	HB3	H	3.017	0.000
1136	1	105	ASN	HD21	H	5.659	0.000
1137	1	105	ASN	HD22	H	7.881	0.000
1138	1	105	ASN	CA	C	56.143	0.000
1139	1	105	ASN	CB	C	37.776	0.000
1140	1	105	ASN	N	N	121.425	0.000
1141	1	105	ASN	ND2	N	106.089	0.028
1142	1	106	ARG	H	H	7.727	0.000
1143	1	106	ARG	HA	H	4.191	0.000
1144	1	106	ARG	HB2	H	2.091	0.000
1145	1	106	ARG	HB3	H	2.195	0.000
1146	1	106	ARG	HG2	H	1.775	0.000
1147	1	106	ARG	HG3	H	1.775	0.000
1148	1	106	ARG	HD2	H	3.292	0.000
1149	1	106	ARG	HD3	H	3.366	0.000
1150	1	106	ARG	CA	C	58.904	0.000
1151	1	106	ARG	CB	C	29.563	0.000
1152	1	106	ARG	CG	C	26.830	0.000
1153	1	106	ARG	CD	C	42.992	0.000
1154	1	106	ARG	N	N	120.867	0.000
1155	1	107	LYS	H	H	8.041	0.000
1156	1	107	LYS	HA	H	4.219	0.000
1157	1	107	LYS	HB2	H	1.984	0.000
1158	1	107	LYS	HB3	H	2.059	0.000
1159	1	107	LYS	HG2	H	1.542	0.000
1160	1	107	LYS	HG3	H	1.712	0.000
1161	1	107	LYS	HD2	H	1.711	0.000
1162	1	107	LYS	HD3	H	1.834	0.000
1163	1	107	LYS	HE2	H	2.944	0.000
1164	1	107	LYS	HE3	H	2.944	0.000
1165	1	107	LYS	CA	C	60.275	0.000
1166	1	107	LYS	CB	C	32.422	0.000
1167	1	107	LYS	CG	C	25.838	0.000
1168	1	107	LYS	CD	C	29.004	0.000
1169	1	107	LYS	CE	C	41.529	0.000
1170	1	107	LYS	N	N	119.770	0.000
1171	1	108	LEU	H	H	9.076	0.000
1172	1	108	LEU	HA	H	4.106	0.000
1173	1	108	LEU	HB2	H	1.579	0.000
1174	1	108	LEU	HB3	H	2.325	0.000
1175	1	108	LEU	HG	H	1.939	0.000
1176	1	108	LEU	HD11	H	0.790	0.000
1177	1	108	LEU	HD12	H	0.790	0.000
1178	1	108	LEU	HD13	H	0.790	0.000
1179	1	108	LEU	HD21	H	0.777	0.000
1180	1	108	LEU	HD22	H	0.777	0.000
1181	1	108	LEU	HD23	H	0.777	0.000
1182	1	108	LEU	CA	C	58.412	0.000
1183	1	108	LEU	CB	C	42.261	0.000
1184	1	108	LEU	CG	C	26.995	0.000
1185	1	108	LEU	CD1	C	23.851	0.000
1186	1	108	LEU	CD2	C	25.654	0.000
1187	1	108	LEU	N	N	118.675	0.000
1188	1	109	SER	H	H	8.098	0.000
1189	1	109	SER	HA	H	3.846	0.000
1190	1	109	SER	HB2	H	3.701	0.000
1191	1	109	SER	HB3	H	3.811	0.000
1192	1	109	SER	CA	C	61.194	0.000
1193	1	109	SER	CB	C	62.601	0.000
1194	1	109	SER	N	N	112.043	0.000
1195	1	110	ASP	H	H	8.562	0.000
1196	1	110	ASP	HA	H	4.466	0.000
1197	1	110	ASP	HB2	H	2.976	0.000
1198	1	110	ASP	HB3	H	2.729	0.000
1199	1	110	ASP	CA	C	57.870	0.000
1200	1	110	ASP	CB	C	40.433	0.000
1201	1	110	ASP	N	N	121.991	0.000
1202	1	111	VAL	H	H	8.914	0.000
1203	1	111	VAL	HA	H	4.081	0.000
1204	1	111	VAL	HB	H	2.382	0.000
1205	1	111	VAL	HG11	H	1.193	0.000
1206	1	111	VAL	HG12	H	1.193	0.000
1207	1	111	VAL	HG13	H	1.193	0.000
1208	1	111	VAL	HG21	H	1.278	0.000
1209	1	111	VAL	HG22	H	1.278	0.000
1210	1	111	VAL	HG23	H	1.278	0.000
1211	1	111	VAL	CA	C	65.544	0.000
1212	1	111	VAL	CB	C	31.208	0.000
1213	1	111	VAL	CG1	C	22.053	0.000
1214	1	111	VAL	CG2	C	23.317	0.000
1215	1	111	VAL	N	N	119.169	0.000
1216	1	112	TRP	H	H	8.803	0.000
1217	1	112	TRP	HA	H	4.384	0.000
1218	1	112	TRP	HB2	H	3.447	0.000
1219	1	112	TRP	HB3	H	3.326	0.000
1220	1	112	TRP	HD1	H	6.994	0.000
1221	1	112	TRP	HE1	H	9.936	0.000
1222	1	112	TRP	HE3	H	6.967	0.000
1223	1	112	TRP	HZ2	H	7.352	0.000
1224	1	112	TRP	HZ3	H	6.555	0.000
1225	1	112	TRP	HH2	H	6.952	0.000
1226	1	112	TRP	CA	C	60.004	0.000
1227	1	112	TRP	CB	C	29.325	0.000
1228	1	112	TRP	CD1	C	126.472	0.000
1229	1	112	TRP	CE3	C	120.311	0.000
1230	1	112	TRP	CZ2	C	113.950	0.000
1231	1	112	TRP	CZ3	C	122.230	0.000
1232	1	112	TRP	CH2	C	124.839	0.000
1233	1	112	TRP	N	N	122.313	0.000
1234	1	112	TRP	NE1	N	127.430	0.000
1235	1	113	LYS	H	H	8.055	0.000
1236	1	113	LYS	HA	H	3.714	0.000
1237	1	113	LYS	HB2	H	2.008	0.000
1238	1	113	LYS	HB3	H	1.962	0.000
1239	1	113	LYS	HG2	H	1.426	0.000
1240	1	113	LYS	HG3	H	1.641	0.000
1241	1	113	LYS	HD2	H	1.715	0.000
1242	1	113	LYS	HD3	H	1.715	0.000
1243	1	113	LYS	HE2	H	2.953	0.000
1244	1	113	LYS	HE3	H	2.953	0.000
1245	1	113	LYS	CA	C	60.470	0.000
1246	1	113	LYS	CB	C	32.048	0.000
1247	1	113	LYS	CG	C	25.050	0.000
1248	1	113	LYS	CD	C	29.399	0.000
1249	1	113	LYS	CE	C	41.771	0.000
1250	1	113	LYS	N	N	119.820	0.000
1251	1	114	GLU	H	H	7.043	0.000
1252	1	114	GLU	HA	H	4.072	0.000
1253	1	114	GLU	HB2	H	2.097	0.000
1254	1	114	GLU	HB3	H	2.097	0.000
1255	1	114	GLU	HG2	H	2.363	0.000
1256	1	114	GLU	HG3	H	2.161	0.000
1257	1	114	GLU	CA	C	58.650	0.000
1258	1	114	GLU	CB	C	30.145	0.000
1259	1	114	GLU	CG	C	36.108	0.000
1260	1	114	GLU	N	N	116.591	0.000
1261	1	115	LEU	H	H	8.553	0.000
1262	1	115	LEU	HA	H	3.796	0.000
1263	1	115	LEU	HB2	H	1.289	0.000
1264	1	115	LEU	HB3	H	1.440	0.000
1265	1	115	LEU	HG	H	1.171	0.000
1266	1	115	LEU	HD11	H	0.586	0.000
1267	1	115	LEU	HD12	H	0.586	0.000
1268	1	115	LEU	HD13	H	0.586	0.000
1269	1	115	LEU	HD21	H	0.732	0.000
1270	1	115	LEU	HD22	H	0.732	0.000
1271	1	115	LEU	HD23	H	0.732	0.000
1272	1	115	LEU	CA	C	58.150	0.000
1273	1	115	LEU	CB	C	42.798	0.000
1274	1	115	LEU	CG	C	26.703	0.000
1275	1	115	LEU	CD1	C	26.149	0.000
1276	1	115	LEU	CD2	C	24.065	0.000
1277	1	115	LEU	N	N	119.595	0.000
1278	1	116	SER	H	H	8.567	0.000
1279	1	116	SER	HA	H	3.211	0.000
1280	1	116	SER	HB2	H	3.013	0.000
1281	1	116	SER	HB3	H	2.571	0.000
1282	1	116	SER	CA	C	61.490	0.000
1283	1	116	SER	CB	C	61.630	0.000
1284	1	116	SER	N	N	113.145	0.000
1285	1	117	LEU	H	H	6.771	0.000
1286	1	117	LEU	HA	H	4.062	0.000
1287	1	117	LEU	HB2	H	1.675	0.000
1288	1	117	LEU	HB3	H	1.675	0.000
1289	1	117	LEU	HG	H	1.685	0.000
1290	1	117	LEU	HD11	H	0.907	0.000
1291	1	117	LEU	HD12	H	0.907	0.000
1292	1	117	LEU	HD13	H	0.907	0.000
1293	1	117	LEU	HD21	H	0.875	0.000
1294	1	117	LEU	HD22	H	0.875	0.000
1295	1	117	LEU	HD23	H	0.875	0.000
1296	1	117	LEU	CA	C	58.109	0.000
1297	1	117	LEU	CB	C	41.672	0.000
1298	1	117	LEU	CG	C	26.875	0.000
1299	1	117	LEU	CD1	C	24.267	0.000
1300	1	117	LEU	CD2	C	24.199	0.000
1301	1	117	LEU	N	N	121.570	0.000
1302	1	118	LEU	H	H	7.274	0.000
1303	1	118	LEU	HA	H	4.107	0.000
1304	1	118	LEU	HB2	H	1.292	0.000
1305	1	118	LEU	HB3	H	1.888	0.000
1306	1	118	LEU	HG	H	1.774	0.000
1307	1	118	LEU	HD11	H	0.749	0.000
1308	1	118	LEU	HD12	H	0.749	0.000
1309	1	118	LEU	HD13	H	0.749	0.000
1310	1	118	LEU	HD21	H	0.817	0.000
1311	1	118	LEU	HD22	H	0.817	0.000
1312	1	118	LEU	HD23	H	0.817	0.000
1313	1	118	LEU	CA	C	57.844	0.000
1314	1	118	LEU	CB	C	43.084	0.000
1315	1	118	LEU	CG	C	26.900	0.000
1316	1	118	LEU	CD1	C	26.901	0.000
1317	1	118	LEU	CD2	C	22.954	0.000
1318	1	118	LEU	N	N	118.200	0.000
1319	1	119	LEU	H	H	8.560	0.000
1320	1	119	LEU	HA	H	3.828	0.000
1321	1	119	LEU	HB2	H	1.403	0.000
1322	1	119	LEU	HB3	H	1.917	0.000
1323	1	119	LEU	HG	H	1.694	0.000
1324	1	119	LEU	HD11	H	0.647	0.000
1325	1	119	LEU	HD12	H	0.647	0.000
1326	1	119	LEU	HD13	H	0.647	0.000
1327	1	119	LEU	HD21	H	0.765	0.000
1328	1	119	LEU	HD22	H	0.765	0.000
1329	1	119	LEU	HD23	H	0.765	0.000
1330	1	119	LEU	CA	C	57.791	0.000
1331	1	119	LEU	CB	C	41.352	0.000
1332	1	119	LEU	CG	C	26.548	0.000
1333	1	119	LEU	CD1	C	26.289	0.000
1334	1	119	LEU	CD2	C	23.872	0.000
1335	1	119	LEU	N	N	118.904	0.000
1336	1	120	GLN	H	H	8.126	0.000
1337	1	120	GLN	HA	H	4.391	0.000
1338	1	120	GLN	HB2	H	2.170	0.000
1339	1	120	GLN	HB3	H	2.275	0.000
1340	1	120	GLN	HG2	H	2.512	0.000
1341	1	120	GLN	HG3	H	2.306	0.000
1342	1	120	GLN	HE21	H	6.850	0.000
1343	1	120	GLN	HE22	H	7.272	0.000
1344	1	120	GLN	CA	C	58.627	0.000
1345	1	120	GLN	CB	C	28.466	0.000
1346	1	120	GLN	CG	C	34.016	0.000
1347	1	120	GLN	N	N	119.505	0.000
1348	1	120	GLN	NE2	N	110.951	0.013
1349	1	121	VAL	H	H	8.209	0.000
1350	1	121	VAL	HA	H	3.846	0.000
1351	1	121	VAL	HB	H	2.104	0.000
1352	1	121	VAL	HG11	H	0.995	0.000
1353	1	121	VAL	HG12	H	0.995	0.000
1354	1	121	VAL	HG13	H	0.995	0.000
1355	1	121	VAL	HG21	H	1.102	0.000
1356	1	121	VAL	HG22	H	1.102	0.000
1357	1	121	VAL	HG23	H	1.102	0.000
1358	1	121	VAL	CA	C	65.525	0.000
1359	1	121	VAL	CB	C	32.763	0.000
1360	1	121	VAL	CG1	C	21.119	0.000
1361	1	121	VAL	CG2	C	22.160	0.000
1362	1	121	VAL	N	N	117.743	0.000
1363	1	122	GLU	H	H	8.749	0.000
1364	1	122	GLU	HA	H	4.324	0.000
1365	1	122	GLU	HG2	H	2.194	0.000
1366	1	122	GLU	HG3	H	2.497	0.000
1367	1	122	GLU	CA	C	58.109	0.000
1368	1	122	GLU	CB	C	30.481	0.000
1369	1	122	GLU	CG	C	37.003	0.000
1370	1	122	GLU	N	N	116.727	0.000
1371	1	123	GLN	HE21	H	7.021	0.000
1372	1	123	GLN	HE22	H	7.629	0.000
1373	1	123	GLN	NE2	N	112.305	0.015
1374	1	124	ARG	HA	H	4.115	0.000
1375	1	124	ARG	HG2	H	1.550	0.000
1376	1	124	ARG	HG3	H	1.926	0.000
1377	1	124	ARG	HD2	H	3.213	0.000
1378	1	124	ARG	HD3	H	3.213	0.000
1379	1	124	ARG	CA	C	56.636	0.000
1380	1	124	ARG	CG	C	27.345	0.000
1381	1	124	ARG	CD	C	43.095	0.000
1382	1	125	MET	H	H	7.912	0.000
1383	1	125	MET	HA	H	4.611	0.000
1384	1	125	MET	HB2	H	1.659	0.000
1385	1	125	MET	HB3	H	1.799	0.000
1386	1	125	MET	HG2	H	2.638	0.000
1387	1	125	MET	HG3	H	2.638	0.000
1388	1	125	MET	HE1	H	2.094	0.000
1389	1	125	MET	HE2	H	2.094	0.000
1390	1	125	MET	HE3	H	2.094	0.000
1391	1	125	MET	CA	C	53.912	0.000
1392	1	125	MET	CB	C	34.322	0.000
1393	1	125	MET	CG	C	31.618	0.000
1394	1	125	MET	CE	C	17.771	0.000
1395	1	125	MET	N	N	121.116	0.000
1396	1	126	PRO	HA	H	4.482	0.000
1397	1	126	PRO	HB2	H	2.240	0.000
1398	1	126	PRO	HB3	H	1.935	0.000
1399	1	126	PRO	HG2	H	2.018	0.000
1400	1	126	PRO	HG3	H	2.074	0.000
1401	1	126	PRO	HD2	H	3.935	0.000
1402	1	126	PRO	HD3	H	3.686	0.000
1403	1	126	PRO	CA	C	62.811	0.000
1404	1	126	PRO	CB	C	31.409	0.000
1405	1	126	PRO	CG	C	27.600	0.000
1406	1	126	PRO	CD	C	50.831	0.000
1407	1	127	VAL	H	H	8.217	0.000
1408	1	127	VAL	HA	H	4.057	0.000
1409	1	127	VAL	HB	H	2.005	0.000
1410	1	127	VAL	HG11	H	0.895	0.000
1411	1	127	VAL	HG12	H	0.895	0.000
1412	1	127	VAL	HG13	H	0.895	0.000
1413	1	127	VAL	HG21	H	0.901	0.000
1414	1	127	VAL	HG22	H	0.901	0.000
1415	1	127	VAL	HG23	H	0.901	0.000
1416	1	127	VAL	CA	C	62.164	0.000
1417	1	127	VAL	CB	C	32.912	0.000
1418	1	127	VAL	CG1	C	21.337	0.000
1419	1	127	VAL	CG2	C	20.792	0.000
1420	1	127	VAL	N	N	120.522	0.000
1421	1	128	SER	H	H	8.486	0.000
1422	1	128	SER	HA	H	4.833	0.000
1423	1	128	SER	HB2	H	3.917	0.000
1424	1	128	SER	HB3	H	3.917	0.000
1425	1	128	SER	CA	C	56.155	0.000
1426	1	128	SER	CB	C	63.683	0.000
1427	1	128	SER	N	N	121.903	0.000
1428	1	129	PRO	HA	H	4.508	0.000
1429	1	129	PRO	HB2	H	2.290	0.000
1430	1	129	PRO	HB3	H	1.961	0.000
1431	1	129	PRO	HG2	H	2.010	0.000
1432	1	129	PRO	HG3	H	2.010	0.000
1433	1	129	PRO	HD2	H	3.850	0.000
1434	1	129	PRO	HD3	H	3.803	0.000
1435	1	129	PRO	CA	C	63.582	0.000
1436	1	129	PRO	CB	C	31.882	0.000
1437	1	129	PRO	CG	C	27.357	0.000
1438	1	129	PRO	CD	C	50.883	0.000
1439	1	130	ILE	H	H	8.116	0.000
1440	1	130	ILE	HA	H	4.166	0.000
1441	1	130	ILE	HB	H	1.840	0.000
1442	1	130	ILE	HG12	H	1.146	0.000
1443	1	130	ILE	HG13	H	1.416	0.000
1444	1	130	ILE	HG21	H	0.868	0.000
1445	1	130	ILE	HG22	H	0.868	0.000
1446	1	130	ILE	HG23	H	0.868	0.000
1447	1	130	ILE	HD11	H	0.778	0.000
1448	1	130	ILE	HD12	H	0.778	0.000
1449	1	130	ILE	HD13	H	0.778	0.000
1450	1	130	ILE	CA	C	61.221	0.000
1451	1	130	ILE	CB	C	38.574	0.000
1452	1	130	ILE	CG1	C	27.406	0.000
1453	1	130	ILE	CG2	C	17.521	0.000
1454	1	130	ILE	CD1	C	13.070	0.000
1455	1	130	ILE	N	N	120.243	0.000
1456	1	131	SER	H	H	8.363	0.000
1457	1	131	SER	HA	H	4.433	0.000
1458	1	131	SER	HB2	H	3.866	0.000
1459	1	131	SER	HB3	H	3.866	0.000
1460	1	131	SER	CA	C	58.131	0.000
1461	1	131	SER	CB	C	63.499	0.000
1462	1	131	SER	N	N	119.443	0.000
1463	1	132	GLN	H	H	8.468	0.000
1464	1	132	GLN	HA	H	4.252	0.000
1465	1	132	GLN	HB2	H	1.912	0.000
1466	1	132	GLN	HB3	H	2.039	0.000
1467	1	132	GLN	HG2	H	2.268	0.000
1468	1	132	GLN	HG3	H	2.268	0.000
1469	1	132	GLN	HE21	H	6.712	0.000
1470	1	132	GLN	HE22	H	7.436	0.000
1471	1	132	GLN	CA	C	56.190	0.000
1472	1	132	GLN	CB	C	28.871	0.000
1473	1	132	GLN	CG	C	33.587	0.000
1474	1	132	GLN	N	N	123.054	0.000
1475	1	132	GLN	NE2	N	112.003	0.001
1476	1	133	GLY	H	H	8.220	0.000
1477	1	133	GLY	HA2	H	2.899	0.000
1478	1	133	GLY	HA3	H	3.611	0.000
1479	1	133	GLY	CA	C	45.100	0.000
1480	1	133	GLY	N	N	109.592	0.000
1481	1	134	ALA	H	H	8.135	0.000
1482	1	134	ALA	HA	H	4.248	0.000
1483	1	134	ALA	HB1	H	1.445	0.000
1484	1	134	ALA	HB2	H	1.445	0.000
1485	1	134	ALA	HB3	H	1.445	0.000
1486	1	134	ALA	CA	C	53.840	0.000
1487	1	134	ALA	CB	C	18.871	0.000
1488	1	134	ALA	N	N	124.933	0.000
1489	1	135	SER	H	H	8.461	0.000
1490	1	135	SER	HA	H	4.623	0.000
1491	1	135	SER	HB2	H	4.001	0.000
1492	1	135	SER	HB3	H	4.162	0.000
1493	1	135	SER	CA	C	58.457	0.000
1494	1	135	SER	CB	C	63.822	0.000
1495	1	135	SER	N	N	113.498	0.000
1496	1	136	TRP	H	H	8.511	0.000
1497	1	136	TRP	HA	H	4.568	0.000
1498	1	136	TRP	HB2	H	3.184	0.000
1499	1	136	TRP	HB3	H	3.227	0.000
1500	1	136	TRP	HD1	H	7.034	0.000
1501	1	136	TRP	HE1	H	10.106	0.000
1502	1	136	TRP	HE3	H	7.534	0.000
1503	1	136	TRP	HZ2	H	7.352	0.000
1504	1	136	TRP	HH2	H	6.821	0.000
1505	1	136	TRP	CA	C	58.815	0.000
1506	1	136	TRP	CB	C	28.712	0.000
1507	1	136	TRP	CD1	C	124.174	0.000
1508	1	136	TRP	CE3	C	121.711	0.000
1509	1	136	TRP	CZ2	C	113.950	0.000
1510	1	136	TRP	CH2	C	123.140	0.000
1511	1	136	TRP	N	N	123.033	0.000
1512	1	136	TRP	NE1	N	128.159	0.000
1513	1	137	ALA	H	H	8.522	0.000
1514	1	137	ALA	HA	H	4.273	0.000
1515	1	137	ALA	HB1	H	1.523	0.000
1516	1	137	ALA	HB2	H	1.523	0.000
1517	1	137	ALA	HB3	H	1.523	0.000
1518	1	137	ALA	CA	C	55.566	0.000
1519	1	137	ALA	CB	C	17.819	0.000
1520	1	137	ALA	N	N	120.838	0.000
1521	1	138	GLN	H	H	7.939	0.000
1522	1	138	GLN	HA	H	4.125	0.000
1523	1	138	GLN	HB2	H	2.166	0.000
1524	1	138	GLN	HB3	H	2.225	0.000
1525	1	138	GLN	HG2	H	2.457	0.000
1526	1	138	GLN	HG3	H	2.457	0.000
1527	1	138	GLN	CA	C	58.984	0.000
1528	1	138	GLN	CB	C	28.510	0.000
1529	1	138	GLN	CG	C	34.110	0.000
1530	1	138	GLN	N	N	119.201	0.000
1531	1	139	GLU	H	H	7.818	0.000
1532	1	139	GLU	HA	H	3.852	0.000
1533	1	139	GLU	HB2	H	1.629	0.000
1534	1	139	GLU	HB3	H	1.629	0.000
1535	1	139	GLU	HG2	H	2.552	0.000
1536	1	139	GLU	HG3	H	2.552	0.000
1537	1	139	GLU	CA	C	58.979	0.000
1538	1	139	GLU	CB	C	29.557	0.000
1539	1	139	GLU	CG	C	36.316	0.000
1540	1	139	GLU	N	N	121.133	0.000
1541	1	140	ASP	H	H	8.863	0.000
1542	1	140	ASP	HA	H	4.500	0.000
1543	1	140	ASP	HB2	H	2.675	0.000
1544	1	140	ASP	HB3	H	2.951	0.000
1545	1	140	ASP	CA	C	57.066	0.000
1546	1	140	ASP	CB	C	39.858	0.000
1547	1	140	ASP	N	N	118.351	0.000
1548	1	141	GLN	H	H	7.557	0.000
1549	1	141	GLN	HA	H	3.925	0.000
1550	1	141	GLN	HB2	H	2.209	0.000
1551	1	141	GLN	HB3	H	2.209	0.000
1552	1	141	GLN	HG2	H	2.540	0.000
1553	1	141	GLN	HG3	H	2.446	0.000
1554	1	141	GLN	HE21	H	7.012	0.000
1555	1	141	GLN	HE22	H	7.589	0.000
1556	1	141	GLN	CA	C	58.856	0.000
1557	1	141	GLN	CB	C	28.463	0.000
1558	1	141	GLN	CG	C	33.906	0.000
1559	1	141	GLN	N	N	117.068	0.000
1560	1	141	GLN	NE2	N	113.586	0.000
1561	1	142	GLN	H	H	7.581	0.000
1562	1	142	GLN	HA	H	4.155	0.000
1563	1	142	GLN	HB2	H	2.232	0.000
1564	1	142	GLN	HB3	H	2.232	0.000
1565	1	142	GLN	HG2	H	2.458	0.000
1566	1	142	GLN	HG3	H	2.550	0.000
1567	1	142	GLN	HE21	H	7.709	0.000
1568	1	142	GLN	HE22	H	6.884	0.000
1569	1	142	GLN	CA	C	58.957	0.000
1570	1	142	GLN	CB	C	28.205	0.000
1571	1	142	GLN	CG	C	33.813	0.000
1572	1	142	GLN	N	N	119.624	0.000
1573	1	142	GLN	NE2	N	111.899	0.001
1574	1	143	ASP	H	H	9.210	0.000
1575	1	143	ASP	HA	H	4.054	0.000
1576	1	143	ASP	HB2	H	2.154	0.000
1577	1	143	ASP	HB3	H	2.852	0.000
1578	1	143	ASP	CA	C	57.260	0.000
1579	1	143	ASP	CB	C	40.672	0.000
1580	1	143	ASP	N	N	121.875	0.000
1581	1	144	ALA	H	H	8.795	0.000
1582	1	144	ALA	HA	H	4.297	0.000
1583	1	144	ALA	HB1	H	1.435	0.000
1584	1	144	ALA	HB2	H	1.435	0.000
1585	1	144	ALA	HB3	H	1.435	0.000
1586	1	144	ALA	CA	C	55.375	0.000
1587	1	144	ALA	CB	C	19.239	0.000
1588	1	144	ALA	N	N	121.194	0.000
1589	1	145	ASP	H	H	7.913	0.000
1590	1	145	ASP	HA	H	4.684	0.000
1591	1	145	ASP	HB2	H	2.858	0.000
1592	1	145	ASP	HB3	H	2.858	0.000
1593	1	145	ASP	CA	C	57.622	0.000
1594	1	145	ASP	CB	C	41.030	0.000
1595	1	145	ASP	N	N	119.189	0.000
1596	1	146	GLU	H	H	7.929	0.000
1597	1	146	GLU	HA	H	4.055	0.000
1598	1	146	GLU	HB2	H	2.238	0.000
1599	1	146	GLU	HB3	H	2.238	0.000
1600	1	146	GLU	HG2	H	2.289	0.000
1601	1	146	GLU	HG3	H	2.537	0.000
1602	1	146	GLU	CA	C	59.593	0.000
1603	1	146	GLU	CB	C	29.383	0.000
1604	1	146	GLU	CG	C	36.582	0.000
1605	1	146	GLU	N	N	119.737	0.000
1606	1	147	ASP	H	H	8.925	0.000
1607	1	147	ASP	HA	H	4.449	0.000
1608	1	147	ASP	HB2	H	2.758	0.000
1609	1	147	ASP	HB3	H	2.905	0.000
1610	1	147	ASP	CA	C	57.484	0.000
1611	1	147	ASP	CB	C	40.796	0.000
1612	1	147	ASP	N	N	121.301	0.000
1613	1	148	ARG	H	H	8.551	0.000
1614	1	148	ARG	HA	H	4.071	0.000
1615	1	148	ARG	HB2	H	2.037	0.000
1616	1	148	ARG	HB3	H	2.037	0.000
1617	1	148	ARG	HG2	H	1.761	0.000
1618	1	148	ARG	HG3	H	1.761	0.000
1619	1	148	ARG	HD2	H	3.241	0.000
1620	1	148	ARG	HD3	H	3.241	0.000
1621	1	148	ARG	CA	C	59.469	0.000
1622	1	148	ARG	CB	C	29.487	0.000
1623	1	148	ARG	CG	C	26.857	0.000
1624	1	148	ARG	CD	C	43.238	0.000
1625	1	148	ARG	N	N	121.590	0.000
1626	1	149	ARG	H	H	7.704	0.000
1627	1	149	ARG	HA	H	4.112	0.000
1628	1	149	ARG	HB2	H	1.983	0.000
1629	1	149	ARG	HB3	H	1.983	0.000
1630	1	149	ARG	HG2	H	1.685	0.000
1631	1	149	ARG	HG3	H	1.894	0.000
1632	1	149	ARG	HD2	H	3.221	0.000
1633	1	149	ARG	HD3	H	3.298	0.000
1634	1	149	ARG	CA	C	59.495	0.000
1635	1	149	ARG	CB	C	29.908	0.000
1636	1	149	ARG	CG	C	28.469	0.000
1637	1	149	ARG	CD	C	43.413	0.000
1638	1	149	ARG	N	N	119.268	0.000
1639	1	150	ALA	H	H	7.874	0.000
1640	1	150	ALA	HA	H	4.339	0.000
1641	1	150	ALA	HB1	H	1.687	0.000
1642	1	150	ALA	HB2	H	1.687	0.000
1643	1	150	ALA	HB3	H	1.687	0.000
1644	1	150	ALA	CA	C	54.232	0.000
1645	1	150	ALA	CB	C	18.779	0.000
1646	1	150	ALA	N	N	120.406	0.000
1647	1	151	PHE	H	H	8.285	0.000
1648	1	151	PHE	HA	H	4.410	0.000
1649	1	151	PHE	HB2	H	3.110	0.000
1650	1	151	PHE	HB3	H	3.370	0.000
1651	1	151	PHE	HD1	H	7.310	0.000
1652	1	151	PHE	HD2	H	7.310	0.000
1653	1	151	PHE	HE1	H	7.128	0.000
1654	1	151	PHE	HE2	H	7.128	0.000
1655	1	151	PHE	CA	C	60.569	0.000
1656	1	151	PHE	CB	C	39.487	0.000
1657	1	151	PHE	CD1	C	132.324	0.000
1658	1	151	PHE	CD2	C	132.324	0.000
1659	1	151	PHE	CE1	C	131.360	0.000
1660	1	151	PHE	CE2	C	131.360	0.000
1661	1	151	PHE	N	N	120.164	0.000
1662	1	152	GLN	H	H	8.041	0.000
1663	1	152	GLN	HA	H	4.161	0.000
1664	1	152	GLN	HB2	H	2.143	0.000
1665	1	152	GLN	HB3	H	2.143	0.000
1666	1	152	GLN	HG2	H	2.494	0.000
1667	1	152	GLN	HG3	H	2.580	0.000
1668	1	152	GLN	HE21	H	6.987	0.000
1669	1	152	GLN	HE22	H	7.609	0.000
1670	1	152	GLN	CA	C	56.912	0.000
1671	1	152	GLN	CB	C	28.599	0.000
1672	1	152	GLN	CG	C	33.955	0.000
1673	1	152	GLN	N	N	118.656	0.000
1674	1	152	GLN	NE2	N	112.106	0.000
1675	1	153	MET	H	H	7.828	0.000
1676	1	153	MET	HA	H	4.384	0.000
1677	1	153	MET	HB2	H	2.640	0.000
1678	1	153	MET	HB3	H	2.717	0.000
1679	1	153	MET	HG2	H	2.120	0.000
1680	1	153	MET	HG3	H	2.175	0.000
1681	1	153	MET	HE1	H	2.115	0.000
1682	1	153	MET	HE2	H	2.115	0.000
1683	1	153	MET	HE3	H	2.115	0.000
1684	1	153	MET	CA	C	56.049	0.000
1685	1	153	MET	CB	C	32.546	0.000
1686	1	153	MET	CG	C	32.561	0.000
1687	1	153	MET	CE	C	16.874	0.000
1688	1	153	MET	N	N	118.279	0.000
1689	1	154	LEU	H	H	7.756	0.000
1690	1	154	LEU	HA	H	4.296	0.000
1691	1	154	LEU	HB2	H	1.520	0.000
1692	1	154	LEU	HB3	H	1.636	0.000
1693	1	154	LEU	HG	H	1.702	0.000
1694	1	154	LEU	HD11	H	0.887	0.000
1695	1	154	LEU	HD12	H	0.887	0.000
1696	1	154	LEU	HD13	H	0.887	0.000
1697	1	154	LEU	HD21	H	0.918	0.000
1698	1	154	LEU	HD22	H	0.918	0.000
1699	1	154	LEU	HD23	H	0.918	0.000
1700	1	154	LEU	CA	C	55.368	0.000
1701	1	154	LEU	CB	C	42.085	0.000
1702	1	154	LEU	CG	C	26.773	0.000
1703	1	154	LEU	CD1	C	23.348	0.000
1704	1	154	LEU	CD2	C	25.221	0.000
1705	1	154	LEU	N	N	121.309	0.000
1706	1	155	ARG	H	H	8.199	0.000
1707	1	155	ARG	HA	H	4.276	0.000
1708	1	155	ARG	HB2	H	1.761	0.000
1709	1	155	ARG	HB3	H	1.825	0.000
1710	1	155	ARG	HG2	H	1.586	0.000
1711	1	155	ARG	HG3	H	1.586	0.000
1712	1	155	ARG	HD2	H	3.193	0.000
1713	1	155	ARG	HD3	H	3.193	0.000
1714	1	155	ARG	CA	C	56.067	0.000
1715	1	155	ARG	CB	C	30.635	0.000
1716	1	155	ARG	CG	C	26.958	0.000
1717	1	155	ARG	CD	C	43.162	0.000
1718	1	155	ARG	N	N	122.010	0.000
1719	1	156	ARG	H	H	8.475	0.000
1720	1	156	ARG	HA	H	4.394	0.000
1721	1	156	ARG	HB2	H	1.906	0.000
1722	1	156	ARG	HB3	H	1.736	0.000
1723	1	156	ARG	HG2	H	1.629	0.000
1724	1	156	ARG	HG3	H	1.629	0.000
1725	1	156	ARG	HD2	H	3.188	0.000
1726	1	156	ARG	HD3	H	3.188	0.000
1727	1	156	ARG	CA	C	55.888	0.000
1728	1	156	ARG	CB	C	30.787	0.000
1729	1	156	ARG	CG	C	26.923	0.000
1730	1	156	ARG	CD	C	43.218	0.000
1731	1	156	ARG	N	N	123.381	0.000
1732	1	157	ASP	H	H	8.056	0.000
1733	1	157	ASP	HA	H	4.381	0.000
1734	1	157	ASP	HB2	H	2.591	0.000
1735	1	157	ASP	HB3	H	2.667	0.000
1736	1	157	ASP	CA	C	55.667	0.000
1737	1	157	ASP	CB	C	42.052	0.000
1738	1	157	ASP	N	N	127.079	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 400 uM [U-13C; U-15N] MLKL executioner domain, 700 uM Cpd 7, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
1	MLKL executioner domain	[U-13C; U-15N]		400 uM
2	Cpd 7	natural abundance		700 uM

2 3D HNCACB

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 400 uM [U-13C; U-15N] MLKL executioner domain, 700 uM Cpd 7, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
1	MLKL executioner domain	[U-13C; U-15N]		400 uM
2	Cpd 7	natural abundance		700 uM

3 3D HNccH TOCSY

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 400 uM [U-13C; U-15N] MLKL executioner domain, 700 uM Cpd 7, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
1	MLKL executioner domain	[U-13C; U-15N]		400 uM
2	Cpd 7	natural abundance		700 uM

4 3D HNCC TOCSY

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 400 uM [U-13C; U-15N] MLKL executioner domain, 700 uM Cpd 7, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
1	MLKL executioner domain	[U-13C; U-15N]		400 uM
2	Cpd 7	natural abundance		700 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 400 uM [U-13C; U-15N] MLKL executioner domain, 700 uM Cpd 7, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
1	MLKL executioner domain	[U-13C; U-15N]		400 uM
2	Cpd 7	natural abundance		700 uM

6 3D HCCH-TOCSY