BMRB: 30970

NMR structure of a designed cold unfolding four helix bundle

Authors

Pulavarti, S., Szyperski, T., Yuen, S., Maguire, J., Griffin, J., Kuhlman, B.

Assembly

Cold unfolding four helix bundle

Entity

1. Cold unfolding four helix bundle (polymer, Thiol state: not present), 104 monomers, 12078.65 Da Detail

GSHQEYIKKV ADELKENSQN INDLLKEVEK NPEDMEYWNK IYRLLHTNKE IAETAGFSSV AKVEHTAMNL VDKMLNSEIK ITSDLIDKIK KKVDMSTREI DKKV

Formula weight

12078.65 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 764, ¹³C: 461, ¹⁵N: 109 assignments Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	GLY	HA2	H	3.894	0.030	2
2	1	1	GLY	HA3	H	3.894	0.030	2
3	1	1	GLY	CA	C	43.965	0.450	1
4	1	2	SER	HA	H	4.565	0.030	1
5	1	2	SER	HB2	H	4.110	0.030	2
6	1	2	SER	HB3	H	3.984	0.030	2
7	1	2	SER	CA	C	58.718	0.450	1
8	1	2	SER	CB	C	64.169	0.450	1
9	1	3	HIS	HA	H	4.625	0.030	1
10	1	3	HIS	HB2	H	3.236	0.030	2
11	1	3	HIS	HB3	H	3.178	0.030	2
12	1	3	HIS	HD2	H	7.069	0.030	1
13	1	3	HIS	HE1	H	7.877	0.030	1
14	1	3	HIS	C	C	176.560	0.450	1
15	1	3	HIS	CA	C	59.147	0.450	1
16	1	3	HIS	CB	C	30.771	0.450	1
17	1	3	HIS	CD2	C	119.216	0.450	1
18	1	3	HIS	CE1	C	138.465	0.450	1
19	1	3	HIS	ND1	N	228.697	0.450	1
20	1	3	HIS	NE2	N	176.636	0.450	1
21	1	4	GLN	H	H	8.382	0.030	1
22	1	4	GLN	HA	H	4.065	0.030	1
23	1	4	GLN	HB2	H	2.163	0.030	2
24	1	4	GLN	HB3	H	2.102	0.030	2
25	1	4	GLN	HG2	H	2.517	0.030	2
26	1	4	GLN	HG3	H	2.470	0.030	2
27	1	4	GLN	HE21	H	7.676	0.030	2
28	1	4	GLN	HE22	H	7.031	0.030	2
29	1	4	GLN	C	C	178.029	0.450	1
30	1	4	GLN	CA	C	58.688	0.450	1
31	1	4	GLN	CB	C	28.352	0.450	1
32	1	4	GLN	CG	C	34.250	0.450	1
33	1	4	GLN	N	N	118.534	0.450	1
34	1	4	GLN	NE2	N	112.617	0.450	1
35	1	5	GLU	H	H	8.132	0.030	1
36	1	5	GLU	HA	H	4.070	0.030	1
37	1	5	GLU	HB2	H	2.135	0.030	2
38	1	5	GLU	HB3	H	2.094	0.030	2
39	1	5	GLU	HG2	H	2.391	0.030	2
40	1	5	GLU	HG3	H	2.336	0.030	2
41	1	5	GLU	C	C	178.283	0.450	1
42	1	5	GLU	CA	C	58.810	0.450	1
43	1	5	GLU	CB	C	29.613	0.450	1
44	1	5	GLU	CG	C	36.678	0.450	1
45	1	5	GLU	N	N	119.581	0.450	1
46	1	6	TYR	H	H	7.959	0.030	1
47	1	6	TYR	HA	H	4.376	0.030	1
48	1	6	TYR	HB2	H	3.250	0.030	2
49	1	6	TYR	HB3	H	3.160	0.030	2
50	1	6	TYR	HD1	H	7.078	0.030	1
51	1	6	TYR	HD2	H	7.078	0.030	1
52	1	6	TYR	HE1	H	6.770	0.030	1
53	1	6	TYR	HE2	H	6.770	0.030	1
54	1	6	TYR	C	C	176.397	0.450	1
55	1	6	TYR	CA	C	60.608	0.450	1
56	1	6	TYR	CB	C	37.984	0.450	1
57	1	6	TYR	CD1	C	133.081	0.450	1
58	1	6	TYR	CD2	C	133.081	0.450	1
59	1	6	TYR	CE1	C	118.199	0.450	1
60	1	6	TYR	CE2	C	118.199	0.450	1
61	1	6	TYR	N	N	121.944	0.450	1
62	1	7	ILE	H	H	8.062	0.030	1
63	1	7	ILE	HA	H	3.593	0.030	1
64	1	7	ILE	HB	H	1.968	0.030	1
65	1	7	ILE	HG12	H	1.468	0.030	2
66	1	7	ILE	HG13	H	1.312	0.030	2
67	1	7	ILE	HG21	H	0.964	0.030	1
68	1	7	ILE	HG22	H	0.964	0.030	1
69	1	7	ILE	HG23	H	0.964	0.030	1
70	1	7	ILE	HD11	H	0.852	0.030	1
71	1	7	ILE	HD12	H	0.852	0.030	1
72	1	7	ILE	HD13	H	0.852	0.030	1
73	1	7	ILE	C	C	177.529	0.450	1
74	1	7	ILE	CA	C	63.395	0.450	1
75	1	7	ILE	CB	C	37.020	0.450	1
76	1	7	ILE	CG1	C	27.682	0.450	1
77	1	7	ILE	CG2	C	17.953	0.450	1
78	1	7	ILE	CD1	C	11.974	0.450	1
79	1	7	ILE	N	N	118.526	0.450	1
80	1	8	LYS	H	H	7.703	0.030	1
81	1	8	LYS	HA	H	4.062	0.030	1
82	1	8	LYS	HB2	H	1.923	0.030	2
83	1	8	LYS	HB3	H	1.923	0.030	2
84	1	8	LYS	HG2	H	1.547	0.030	2
85	1	8	LYS	HG3	H	1.470	0.030	2
86	1	8	LYS	HD2	H	1.720	0.030	2
87	1	8	LYS	HD3	H	1.720	0.030	2
88	1	8	LYS	HE2	H	2.985	0.030	2
89	1	8	LYS	HE3	H	2.985	0.030	2
90	1	8	LYS	C	C	177.776	0.450	1
91	1	8	LYS	CA	C	59.058	0.450	1
92	1	8	LYS	CB	C	32.343	0.450	1
93	1	8	LYS	CG	C	25.161	0.450	1
94	1	8	LYS	CD	C	29.241	0.450	1
95	1	8	LYS	CE	C	42.057	0.450	1
96	1	8	LYS	N	N	120.227	0.450	1
97	1	9	LYS	H	H	7.738	0.030	1
98	1	9	LYS	HA	H	4.137	0.030	1
99	1	9	LYS	HB2	H	2.019	0.030	2
100	1	9	LYS	HB3	H	1.967	0.030	2
101	1	9	LYS	HG2	H	1.613	0.030	2
102	1	9	LYS	HG3	H	1.500	0.030	2
103	1	9	LYS	HD2	H	1.727	0.030	2
104	1	9	LYS	HD3	H	1.727	0.030	2
105	1	9	LYS	HE2	H	3.001	0.030	2
106	1	9	LYS	HE3	H	3.001	0.030	2
107	1	9	LYS	C	C	179.756	0.450	1
108	1	9	LYS	CA	C	59.074	0.450	1
109	1	9	LYS	CB	C	32.137	0.450	1
110	1	9	LYS	CG	C	24.943	0.450	1
111	1	9	LYS	CD	C	29.073	0.450	1
112	1	9	LYS	CE	C	42.096	0.450	1
113	1	9	LYS	N	N	119.722	0.450	1
114	1	10	VAL	H	H	8.074	0.030	1
115	1	10	VAL	HA	H	3.641	0.030	1
116	1	10	VAL	HB	H	1.910	0.030	1
117	1	10	VAL	HG11	H	0.600	0.030	2
118	1	10	VAL	HG12	H	0.600	0.030	2
119	1	10	VAL	HG13	H	0.600	0.030	2
120	1	10	VAL	HG21	H	0.615	0.030	2
121	1	10	VAL	HG22	H	0.615	0.030	2
122	1	10	VAL	HG23	H	0.615	0.030	2
123	1	10	VAL	C	C	177.554	0.450	1
124	1	10	VAL	CA	C	66.422	0.450	1
125	1	10	VAL	CB	C	31.249	0.450	1
126	1	10	VAL	CG1	C	21.423	0.450	1
127	1	10	VAL	CG2	C	22.271	0.450	1
128	1	10	VAL	N	N	120.418	0.450	1
129	1	11	ALA	H	H	8.531	0.030	1
130	1	11	ALA	HA	H	3.842	0.030	1
131	1	11	ALA	HB1	H	1.525	0.030	1
132	1	11	ALA	HB2	H	1.525	0.030	1
133	1	11	ALA	HB3	H	1.525	0.030	1
134	1	11	ALA	C	C	179.423	0.450	1
135	1	11	ALA	CA	C	55.832	0.450	1
136	1	11	ALA	CB	C	18.507	0.450	1
137	1	11	ALA	N	N	122.268	0.450	1
138	1	12	ASP	H	H	8.261	0.030	1
139	1	12	ASP	HA	H	4.393	0.030	1
140	1	12	ASP	HB2	H	2.879	0.030	2
141	1	12	ASP	HB3	H	2.664	0.030	2
142	1	12	ASP	C	C	179.091	0.450	1
143	1	12	ASP	CA	C	57.408	0.450	1
144	1	12	ASP	CB	C	39.959	0.450	1
145	1	12	ASP	N	N	117.147	0.450	1
146	1	13	GLU	H	H	7.967	0.030	1
147	1	13	GLU	HA	H	4.063	0.030	1
148	1	13	GLU	HB2	H	2.151	0.030	2
149	1	13	GLU	HB3	H	2.062	0.030	2
150	1	13	GLU	HG2	H	2.411	0.030	2
151	1	13	GLU	HG3	H	2.161	0.030	2
152	1	13	GLU	C	C	178.711	0.450	1
153	1	13	GLU	CA	C	59.785	0.450	1
154	1	13	GLU	CB	C	29.478	0.450	1
155	1	13	GLU	CG	C	36.179	0.450	1
156	1	13	GLU	N	N	123.433	0.450	1
157	1	14	LEU	H	H	8.674	0.030	1
158	1	14	LEU	HA	H	4.169	0.030	1
159	1	14	LEU	HB2	H	2.052	0.030	1
160	1	14	LEU	HB3	H	1.229	0.030	1
161	1	14	LEU	HG	H	1.777	0.030	1
162	1	14	LEU	HD11	H	0.603	0.030	2
163	1	14	LEU	HD12	H	0.603	0.030	2
164	1	14	LEU	HD13	H	0.603	0.030	2
165	1	14	LEU	HD21	H	0.800	0.030	2
166	1	14	LEU	HD22	H	0.800	0.030	2
167	1	14	LEU	HD23	H	0.800	0.030	2
168	1	14	LEU	CA	C	57.716	0.450	1
169	1	14	LEU	CB	C	42.698	0.450	1
170	1	14	LEU	CG	C	26.813	0.450	1
171	1	14	LEU	CD1	C	26.927	0.450	1
172	1	14	LEU	CD2	C	23.770	0.450	1
173	1	14	LEU	N	N	119.357	0.450	1
174	1	15	LYS	HA	H	3.883	0.030	1
175	1	15	LYS	HB2	H	1.976	0.030	2
176	1	15	LYS	HB3	H	1.976	0.030	2
177	1	15	LYS	HG2	H	1.727	0.030	2
178	1	15	LYS	HG3	H	1.400	0.030	2
179	1	15	LYS	HD2	H	1.719	0.030	2
180	1	15	LYS	HD3	H	1.719	0.030	2
181	1	15	LYS	HE2	H	2.896	0.030	2
182	1	15	LYS	HE3	H	2.896	0.030	2
183	1	15	LYS	CA	C	60.447	0.450	1
184	1	15	LYS	CB	C	32.156	0.450	1
185	1	15	LYS	CG	C	26.280	0.450	1
186	1	15	LYS	CD	C	29.312	0.450	1
187	1	15	LYS	CE	C	41.789	0.450	1
188	1	16	GLU	H	H	8.370	0.030	1
189	1	16	GLU	HA	H	4.096	0.030	1
190	1	16	GLU	HB2	H	2.171	0.030	2
191	1	16	GLU	HB3	H	2.122	0.030	2
192	1	16	GLU	HG2	H	2.345	0.030	2
193	1	16	GLU	HG3	H	2.288	0.030	2
194	1	16	GLU	C	C	179.390	0.450	1
195	1	16	GLU	CA	C	59.539	0.450	1
196	1	16	GLU	CB	C	29.287	0.450	1
197	1	16	GLU	CG	C	35.940	0.450	1
198	1	16	GLU	N	N	123.021	0.450	1
199	1	17	ASN	H	H	8.656	0.030	1
200	1	17	ASN	HA	H	4.541	0.030	1
201	1	17	ASN	HB2	H	3.568	0.030	1
202	1	17	ASN	HB3	H	2.479	0.030	1
203	1	17	ASN	HD21	H	7.612	0.030	2
204	1	17	ASN	HD22	H	7.188	0.030	2
205	1	17	ASN	CA	C	55.561	0.450	1
206	1	17	ASN	CB	C	37.691	0.450	1
207	1	17	ASN	N	N	118.574	0.450	1
208	1	17	ASN	ND2	N	108.392	0.450	1
209	1	18	SER	HA	H	3.754	0.030	1
210	1	18	SER	HB2	H	4.114	0.030	2
211	1	18	SER	HB3	H	4.114	0.030	2
212	1	18	SER	C	C	175.086	0.450	1
213	1	18	SER	CA	C	62.299	0.450	1
214	1	18	SER	CB	C	63.062	0.450	1
215	1	19	GLN	H	H	8.238	0.030	1
216	1	19	GLN	HA	H	4.084	0.030	1
217	1	19	GLN	HB2	H	2.264	0.030	2
218	1	19	GLN	HB3	H	2.264	0.030	2
219	1	19	GLN	HG2	H	2.456	0.030	2
220	1	19	GLN	HG3	H	2.423	0.030	2
221	1	19	GLN	HE21	H	7.636	0.030	2
222	1	19	GLN	HE22	H	6.898	0.030	2
223	1	19	GLN	C	C	177.855	0.450	1
224	1	19	GLN	CA	C	58.805	0.450	1
225	1	19	GLN	CB	C	27.664	0.450	1
226	1	19	GLN	CG	C	33.739	0.450	1
227	1	19	GLN	N	N	123.024	0.450	1
228	1	19	GLN	NE2	N	114.357	0.450	1
229	1	20	ASN	H	H	7.936	0.030	1
230	1	20	ASN	HA	H	4.595	0.030	1
231	1	20	ASN	HB2	H	3.101	0.030	2
232	1	20	ASN	HB3	H	2.910	0.030	2
233	1	20	ASN	HD21	H	7.403	0.030	2
234	1	20	ASN	HD22	H	7.186	0.030	2
235	1	20	ASN	C	C	178.208	0.450	1
236	1	20	ASN	CA	C	56.165	0.450	1
237	1	20	ASN	CB	C	38.300	0.450	1
238	1	20	ASN	N	N	118.433	0.450	1
239	1	20	ASN	ND2	N	111.994	0.450	1
240	1	21	ILE	H	H	8.465	0.030	1
241	1	21	ILE	HA	H	3.513	0.030	1
242	1	21	ILE	HB	H	2.120	0.030	1
243	1	21	ILE	HG12	H	2.081	0.030	2
244	1	21	ILE	HG13	H	0.820	0.030	2
245	1	21	ILE	HG21	H	0.907	0.030	1
246	1	21	ILE	HG22	H	0.907	0.030	1
247	1	21	ILE	HG23	H	0.907	0.030	1
248	1	21	ILE	HD11	H	0.785	0.030	1
249	1	21	ILE	HD12	H	0.785	0.030	1
250	1	21	ILE	HD13	H	0.785	0.030	1
251	1	21	ILE	C	C	176.936	0.450	1
252	1	21	ILE	CA	C	66.764	0.450	1
253	1	21	ILE	CB	C	37.630	0.450	1
254	1	21	ILE	CG1	C	31.055	0.450	1
255	1	21	ILE	CG2	C	18.372	0.450	1
256	1	21	ILE	CD1	C	13.654	0.450	1
257	1	21	ILE	N	N	120.931	0.450	1
258	1	22	ASN	H	H	8.261	0.030	1
259	1	22	ASN	HA	H	4.442	0.030	1
260	1	22	ASN	HB2	H	2.912	0.030	1
261	1	22	ASN	HB3	H	2.799	0.030	1
262	1	22	ASN	HD21	H	7.202	0.030	2
263	1	22	ASN	HD22	H	6.718	0.030	2
264	1	22	ASN	C	C	178.441	0.450	1
265	1	22	ASN	CA	C	56.791	0.450	1
266	1	22	ASN	CB	C	38.265	0.450	1
267	1	22	ASN	N	N	119.027	0.450	1
268	1	22	ASN	ND2	N	110.330	0.450	1
269	1	23	ASP	H	H	8.358	0.030	1
270	1	23	ASP	HA	H	4.453	0.030	1
271	1	23	ASP	HB2	H	2.904	0.030	2
272	1	23	ASP	HB3	H	2.708	0.030	2
273	1	23	ASP	C	C	179.423	0.450	1
274	1	23	ASP	CA	C	57.721	0.450	1
275	1	23	ASP	CB	C	39.960	0.450	1
276	1	23	ASP	N	N	121.303	0.450	1
277	1	24	LEU	H	H	8.131	0.030	1
278	1	24	LEU	HA	H	3.998	0.030	1
279	1	24	LEU	HB2	H	2.031	0.030	2
280	1	24	LEU	HB3	H	1.131	0.030	2
281	1	24	LEU	HG	H	1.891	0.030	1
282	1	24	LEU	HD11	H	0.802	0.030	2
283	1	24	LEU	HD12	H	0.802	0.030	2
284	1	24	LEU	HD13	H	0.802	0.030	2
285	1	24	LEU	HD21	H	0.952	0.030	2
286	1	24	LEU	HD22	H	0.952	0.030	2
287	1	24	LEU	HD23	H	0.952	0.030	2
288	1	24	LEU	C	C	179.423	0.450	1
289	1	24	LEU	CA	C	58.059	0.450	1
290	1	24	LEU	CB	C	42.583	0.450	1
291	1	24	LEU	CG	C	27.150	0.450	1
292	1	24	LEU	CD1	C	27.100	0.450	1
293	1	24	LEU	CD2	C	23.678	0.450	1
294	1	24	LEU	N	N	122.641	0.450	1
295	1	25	LEU	H	H	8.707	0.030	1
296	1	25	LEU	HA	H	3.841	0.030	1
297	1	25	LEU	HB2	H	2.080	0.030	2
298	1	25	LEU	HB3	H	1.239	0.030	2
299	1	25	LEU	HG	H	1.751	0.030	1
300	1	25	LEU	HD11	H	0.909	0.030	2
301	1	25	LEU	HD12	H	0.909	0.030	2
302	1	25	LEU	HD13	H	0.909	0.030	2
303	1	25	LEU	HD21	H	0.795	0.030	2
304	1	25	LEU	HD22	H	0.795	0.030	2
305	1	25	LEU	HD23	H	0.795	0.030	2
306	1	25	LEU	C	C	178.616	0.450	1
307	1	25	LEU	CA	C	57.135	0.450	1
308	1	25	LEU	CB	C	41.603	0.450	1
309	1	25	LEU	CG	C	26.953	0.450	1
310	1	25	LEU	CD1	C	26.511	0.450	1
311	1	25	LEU	CD2	C	23.878	0.450	1
312	1	25	LEU	N	N	120.640	0.450	1
313	1	26	LYS	H	H	7.383	0.030	1
314	1	26	LYS	HA	H	4.116	0.030	1
315	1	26	LYS	HB2	H	1.984	0.030	2
316	1	26	LYS	HB3	H	1.895	0.030	2
317	1	26	LYS	HG2	H	1.648	0.030	2
318	1	26	LYS	HG3	H	1.466	0.030	2
319	1	26	LYS	HD2	H	1.728	0.030	2
320	1	26	LYS	HD3	H	1.728	0.030	2
321	1	26	LYS	HE2	H	3.002	0.030	2
322	1	26	LYS	HE3	H	2.963	0.030	2
323	1	26	LYS	C	C	179.281	0.450	1
324	1	26	LYS	CA	C	58.798	0.450	1
325	1	26	LYS	CB	C	32.091	0.450	1
326	1	26	LYS	CG	C	25.029	0.450	1
327	1	26	LYS	CD	C	29.174	0.450	1
328	1	26	LYS	CE	C	41.999	0.450	1
329	1	26	LYS	N	N	117.487	0.450	1
330	1	27	GLU	H	H	7.156	0.030	1
331	1	27	GLU	HA	H	4.069	0.030	1
332	1	27	GLU	HB2	H	1.588	0.030	2
333	1	27	GLU	HB3	H	1.588	0.030	2
334	1	27	GLU	HG2	H	2.190	0.030	2
335	1	27	GLU	HG3	H	2.190	0.030	2
336	1	27	GLU	C	C	179.899	0.450	1
337	1	27	GLU	CA	C	57.988	0.450	1
338	1	27	GLU	CB	C	28.752	0.450	1
339	1	27	GLU	CG	C	35.190	0.450	1
340	1	27	GLU	N	N	117.246	0.450	1
341	1	28	VAL	H	H	7.924	0.030	1
342	1	28	VAL	HA	H	3.551	0.030	1
343	1	28	VAL	HB	H	1.664	0.030	1
344	1	28	VAL	HG11	H	0.486	0.030	2
345	1	28	VAL	HG12	H	0.486	0.030	2
346	1	28	VAL	HG13	H	0.486	0.030	2
347	1	28	VAL	HG21	H	0.379	0.030	2
348	1	28	VAL	HG22	H	0.379	0.030	2
349	1	28	VAL	HG23	H	0.379	0.030	2
350	1	28	VAL	C	C	176.856	0.450	1
351	1	28	VAL	CA	C	64.190	0.450	1
352	1	28	VAL	CB	C	31.196	0.450	1
353	1	28	VAL	CG1	C	21.217	0.450	1
354	1	28	VAL	CG2	C	23.073	0.450	1
355	1	28	VAL	N	N	119.835	0.450	1
356	1	29	GLU	H	H	7.389	0.030	1
357	1	29	GLU	HA	H	3.858	0.030	1
358	1	29	GLU	HB2	H	2.087	0.030	2
359	1	29	GLU	HB3	H	1.992	0.030	2
360	1	29	GLU	HG2	H	2.477	0.030	2
361	1	29	GLU	HG3	H	2.225	0.030	2
362	1	29	GLU	C	C	178.204	0.450	1
363	1	29	GLU	CA	C	59.244	0.450	1
364	1	29	GLU	CB	C	29.823	0.450	1
365	1	29	GLU	CG	C	36.919	0.450	1
366	1	29	GLU	N	N	117.675	0.450	1
367	1	30	LYS	H	H	6.978	0.030	1
368	1	30	LYS	HA	H	4.179	0.030	1
369	1	30	LYS	HB2	H	1.938	0.030	1
370	1	30	LYS	HB3	H	1.868	0.030	1
371	1	30	LYS	HG2	H	1.574	0.030	2
372	1	30	LYS	HG3	H	1.467	0.030	2
373	1	30	LYS	HD2	H	1.720	0.030	2
374	1	30	LYS	HD3	H	1.720	0.030	2
375	1	30	LYS	HE2	H	2.978	0.030	2
376	1	30	LYS	HE3	H	2.897	0.030	2
377	1	30	LYS	C	C	176.873	0.450	1
378	1	30	LYS	CA	C	57.537	0.450	1
379	1	30	LYS	CB	C	33.110	0.450	1
380	1	30	LYS	CG	C	25.072	0.450	1
381	1	30	LYS	CD	C	29.239	0.450	1
382	1	30	LYS	CE	C	41.997	0.450	1
383	1	30	LYS	N	N	114.960	0.450	1
384	1	31	ASN	H	H	7.468	0.030	1
385	1	31	ASN	HA	H	5.102	0.030	1
386	1	31	ASN	HB2	H	2.986	0.030	2
387	1	31	ASN	HB3	H	2.761	0.030	2
388	1	31	ASN	HD21	H	7.833	0.030	2
389	1	31	ASN	HD22	H	6.952	0.030	2
390	1	31	ASN	CA	C	51.406	0.450	1
391	1	31	ASN	CB	C	39.232	0.450	1
392	1	31	ASN	N	N	114.700	0.450	1
393	1	31	ASN	ND2	N	113.273	0.450	1
394	1	32	PRO	HA	H	4.716	0.030	1
395	1	32	PRO	HB2	H	2.342	0.030	2
396	1	32	PRO	HB3	H	2.071	0.030	2
397	1	32	PRO	HG2	H	2.066	0.030	2
398	1	32	PRO	HG3	H	2.066	0.030	2
399	1	32	PRO	HD2	H	3.790	0.030	1
400	1	32	PRO	HD3	H	3.500	0.030	1
401	1	32	PRO	C	C	176.683	0.450	1
402	1	32	PRO	CA	C	65.216	0.450	1
403	1	32	PRO	CB	C	32.596	0.450	1
404	1	32	PRO	CG	C	27.112	0.450	1
405	1	32	PRO	CD	C	50.199	0.450	1
406	1	33	GLU	H	H	7.973	0.030	1
407	1	33	GLU	HA	H	4.496	0.030	1
408	1	33	GLU	HB2	H	1.974	0.030	1
409	1	33	GLU	HB3	H	2.393	0.030	1
410	1	33	GLU	HG2	H	2.328	0.030	2
411	1	33	GLU	HG3	H	2.289	0.030	2
412	1	33	GLU	C	C	175.922	0.450	1
413	1	33	GLU	CA	C	55.855	0.450	1
414	1	33	GLU	CB	C	29.139	0.450	1
415	1	33	GLU	CG	C	36.972	0.450	1
416	1	33	GLU	N	N	113.271	0.450	1
417	1	34	ASP	H	H	7.600	0.030	1
418	1	34	ASP	HA	H	4.703	0.030	1
419	1	34	ASP	HB2	H	3.274	0.030	2
420	1	34	ASP	HB3	H	2.618	0.030	2
421	1	34	ASP	C	C	176.570	0.450	1
422	1	34	ASP	CA	C	53.918	0.450	1
423	1	34	ASP	CB	C	40.455	0.450	1
424	1	34	ASP	N	N	119.423	0.450	1
425	1	35	MET	H	H	8.578	0.030	1
426	1	35	MET	HA	H	4.745	0.030	1
427	1	35	MET	HB2	H	2.233	0.030	2
428	1	35	MET	HB3	H	2.184	0.030	2
429	1	35	MET	HG2	H	3.067	0.030	2
430	1	35	MET	HG3	H	2.785	0.030	2
431	1	35	MET	HE1	H	2.101	0.030	1
432	1	35	MET	HE2	H	2.101	0.030	1
433	1	35	MET	HE3	H	2.101	0.030	1
434	1	35	MET	C	C	178.948	0.450	1
435	1	35	MET	CA	C	56.002	0.450	1
436	1	35	MET	CB	C	31.030	0.450	1
437	1	35	MET	CG	C	32.641	0.450	1
438	1	35	MET	CE	C	17.675	0.450	1
439	1	35	MET	N	N	123.981	0.450	1
440	1	36	GLU	H	H	8.700	0.030	1
441	1	36	GLU	HA	H	4.233	0.030	1
442	1	36	GLU	HB2	H	2.085	0.030	2
443	1	36	GLU	HB3	H	1.867	0.030	2
444	1	36	GLU	HG2	H	2.225	0.030	2
445	1	36	GLU	HG3	H	2.163	0.030	2
446	1	36	GLU	C	C	180.295	0.450	1
447	1	36	GLU	CA	C	59.381	0.450	1
448	1	36	GLU	CB	C	28.704	0.450	1
449	1	36	GLU	CG	C	36.069	0.450	1
450	1	36	GLU	N	N	121.622	0.450	1
451	1	37	TYR	H	H	7.321	0.030	1
452	1	37	TYR	HA	H	4.101	0.030	1
453	1	37	TYR	HB2	H	2.479	0.030	1
454	1	37	TYR	HB3	H	2.677	0.030	1
455	1	37	TYR	HD1	H	7.066	0.030	1
456	1	37	TYR	HD2	H	7.066	0.030	1
457	1	37	TYR	HE1	H	6.868	0.030	1
458	1	37	TYR	HE2	H	6.868	0.030	1
459	1	37	TYR	C	C	178.473	0.450	1
460	1	37	TYR	CA	C	61.560	0.450	1
461	1	37	TYR	CB	C	38.257	0.450	1
462	1	37	TYR	CD1	C	131.881	0.450	1
463	1	37	TYR	CD2	C	131.881	0.450	1
464	1	37	TYR	CE1	C	118.882	0.450	1
465	1	37	TYR	CE2	C	118.882	0.450	1
466	1	37	TYR	N	N	116.405	0.450	1
467	1	38	TRP	H	H	7.094	0.030	1
468	1	38	TRP	HA	H	4.655	0.030	1
469	1	38	TRP	HB2	H	3.305	0.030	2
470	1	38	TRP	HB3	H	3.305	0.030	2
471	1	38	TRP	HD1	H	7.369	0.030	1
472	1	38	TRP	HE1	H	10.720	0.030	1
473	1	38	TRP	HE3	H	7.582	0.030	1
474	1	38	TRP	HZ2	H	7.160	0.030	1
475	1	38	TRP	HZ3	H	6.855	0.030	1
476	1	38	TRP	HH2	H	6.833	0.030	1
477	1	38	TRP	C	C	178.219	0.450	1
478	1	38	TRP	CA	C	60.258	0.450	1
479	1	38	TRP	CB	C	29.884	0.450	1
480	1	38	TRP	CD1	C	128.368	0.450	1
481	1	38	TRP	CE3	C	120.534	0.450	1
482	1	38	TRP	CZ2	C	114.970	0.450	1
483	1	38	TRP	CZ3	C	120.522	0.450	1
484	1	38	TRP	CH2	C	122.969	0.450	1
485	1	38	TRP	N	N	117.591	0.450	1
486	1	38	TRP	NE1	N	130.829	0.450	1
487	1	39	ASN	H	H	8.505	0.030	1
488	1	39	ASN	HA	H	4.581	0.030	1
489	1	39	ASN	HB2	H	2.980	0.030	1
490	1	39	ASN	HB3	H	2.811	0.030	1
491	1	39	ASN	HD21	H	7.419	0.030	2
492	1	39	ASN	HD22	H	7.003	0.030	2
493	1	39	ASN	C	C	177.792	0.450	1
494	1	39	ASN	CA	C	56.997	0.450	1
495	1	39	ASN	CB	C	38.863	0.450	1
496	1	39	ASN	N	N	118.640	0.450	1
497	1	39	ASN	ND2	N	113.061	0.450	1
498	1	40	LYS	H	H	7.751	0.030	1
499	1	40	LYS	HA	H	4.080	0.030	1
500	1	40	LYS	HB2	H	2.069	0.030	2
501	1	40	LYS	HB3	H	1.892	0.030	2
502	1	40	LYS	HG2	H	1.751	0.030	2
503	1	40	LYS	HG3	H	1.442	0.030	2
504	1	40	LYS	HD2	H	1.701	0.030	2
505	1	40	LYS	HD3	H	1.519	0.030	2
506	1	40	LYS	HE2	H	2.897	0.030	2
507	1	40	LYS	HE3	H	2.897	0.030	2
508	1	40	LYS	C	C	179.418	0.450	1
509	1	40	LYS	CA	C	60.164	0.450	1
510	1	40	LYS	CB	C	33.468	0.450	1
511	1	40	LYS	CG	C	26.311	0.450	1
512	1	40	LYS	CD	C	29.838	0.450	1
513	1	40	LYS	CE	C	42.128	0.450	1
514	1	40	LYS	N	N	120.063	0.450	1
515	1	41	ILE	H	H	8.420	0.030	1
516	1	41	ILE	HA	H	3.575	0.030	1
517	1	41	ILE	HB	H	2.227	0.030	1
518	1	41	ILE	HG12	H	1.950	0.030	2
519	1	41	ILE	HG13	H	0.841	0.030	2
520	1	41	ILE	HG21	H	1.094	0.030	1
521	1	41	ILE	HG22	H	1.094	0.030	1
522	1	41	ILE	HG23	H	1.094	0.030	1
523	1	41	ILE	HD11	H	0.325	0.030	1
524	1	41	ILE	HD12	H	0.325	0.030	1
525	1	41	ILE	HD13	H	0.325	0.030	1
526	1	41	ILE	C	C	176.857	0.450	1
527	1	41	ILE	CA	C	66.586	0.450	1
528	1	41	ILE	CB	C	38.591	0.450	1
529	1	41	ILE	CG1	C	32.027	0.450	1
530	1	41	ILE	CG2	C	16.828	0.450	1
531	1	41	ILE	CD1	C	13.421	0.450	1
532	1	41	ILE	N	N	120.331	0.450	1
533	1	42	TYR	H	H	8.971	0.030	1
534	1	42	TYR	HA	H	3.949	0.030	1
535	1	42	TYR	HB2	H	3.305	0.030	1
536	1	42	TYR	HB3	H	3.392	0.030	1
537	1	42	TYR	HD1	H	7.024	0.030	1
538	1	42	TYR	HD2	H	7.024	0.030	1
539	1	42	TYR	HE1	H	6.857	0.030	1
540	1	42	TYR	HE2	H	6.857	0.030	1
541	1	42	TYR	C	C	176.603	0.450	1
542	1	42	TYR	CA	C	63.362	0.450	1
543	1	42	TYR	CB	C	38.603	0.450	1
544	1	42	TYR	CD1	C	132.618	0.450	1
545	1	42	TYR	CD2	C	132.618	0.450	1
546	1	42	TYR	CE1	C	118.450	0.450	1
547	1	42	TYR	CE2	C	118.450	0.450	1
548	1	42	TYR	N	N	120.048	0.450	1
549	1	43	ARG	H	H	8.046	0.030	1
550	1	43	ARG	HA	H	4.071	0.030	1
551	1	43	ARG	HB2	H	2.043	0.030	2
552	1	43	ARG	HB3	H	2.043	0.030	2
553	1	43	ARG	HG2	H	1.958	0.030	2
554	1	43	ARG	HG3	H	1.815	0.030	2
555	1	43	ARG	HD2	H	3.305	0.030	2
556	1	43	ARG	HD3	H	3.264	0.030	2
557	1	43	ARG	C	C	179.677	0.450	1
558	1	43	ARG	CA	C	59.290	0.450	1
559	1	43	ARG	CB	C	29.860	0.450	1
560	1	43	ARG	CG	C	27.436	0.450	1
561	1	43	ARG	CD	C	43.314	0.450	1
562	1	43	ARG	N	N	116.185	0.450	1
563	1	44	LEU	H	H	7.827	0.030	1
564	1	44	LEU	HA	H	4.068	0.030	1
565	1	44	LEU	HB2	H	1.972	0.030	2
566	1	44	LEU	HB3	H	1.182	0.030	2
567	1	44	LEU	HG	H	1.763	0.030	1
568	1	44	LEU	HD11	H	0.862	0.030	2
569	1	44	LEU	HD12	H	0.862	0.030	2
570	1	44	LEU	HD13	H	0.862	0.030	2
571	1	44	LEU	HD21	H	0.897	0.030	2
572	1	44	LEU	HD22	H	0.897	0.030	2
573	1	44	LEU	HD23	H	0.897	0.030	2
574	1	44	LEU	C	C	178.489	0.450	1
575	1	44	LEU	CA	C	58.453	0.450	1
576	1	44	LEU	CB	C	43.185	0.450	1
577	1	44	LEU	CG	C	27.604	0.450	1
578	1	44	LEU	CD1	C	26.457	0.450	1
579	1	44	LEU	CD2	C	23.113	0.450	1
580	1	44	LEU	N	N	121.479	0.450	1
581	1	45	LEU	H	H	8.429	0.030	1
582	1	45	LEU	HA	H	3.968	0.030	1
583	1	45	LEU	HB2	H	1.983	0.030	2
584	1	45	LEU	HB3	H	1.271	0.030	2
585	1	45	LEU	HG	H	1.908	0.030	1
586	1	45	LEU	HD11	H	0.803	0.030	2
587	1	45	LEU	HD12	H	0.803	0.030	2
588	1	45	LEU	HD13	H	0.803	0.030	2
589	1	45	LEU	HD21	H	0.951	0.030	2
590	1	45	LEU	HD22	H	0.951	0.030	2
591	1	45	LEU	HD23	H	0.951	0.030	2
592	1	45	LEU	C	C	177.978	0.450	1
593	1	45	LEU	CA	C	58.313	0.450	1
594	1	45	LEU	CB	C	43.003	0.450	1
595	1	45	LEU	CG	C	26.569	0.450	1
596	1	45	LEU	CD1	C	27.073	0.450	1
597	1	45	LEU	CD2	C	23.649	0.450	1
598	1	45	LEU	N	N	120.869	0.450	1
599	1	46	HIS	H	H	8.532	0.030	1
600	1	46	HIS	HA	H	4.214	0.030	1
601	1	46	HIS	HB2	H	3.181	0.030	1
602	1	46	HIS	HB3	H	2.763	0.030	1
603	1	46	HIS	HD2	H	6.958	0.030	1
604	1	46	HIS	HE1	H	7.762	0.030	1
605	1	46	HIS	C	C	177.823	0.450	1
606	1	46	HIS	CA	C	59.911	0.450	1
607	1	46	HIS	CB	C	30.482	0.450	1
608	1	46	HIS	CD2	C	119.974	0.450	1
609	1	46	HIS	CE1	C	138.532	0.450	1
610	1	46	HIS	N	N	118.913	0.450	1
611	1	46	HIS	ND1	N	220.343	0.450	1
612	1	46	HIS	NE2	N	183.619	0.450	1
613	1	47	THR	H	H	8.332	0.030	1
614	1	47	THR	HA	H	3.937	0.030	1
615	1	47	THR	HB	H	4.319	0.030	1
616	1	47	THR	HG21	H	1.271	0.030	1
617	1	47	THR	HG22	H	1.271	0.030	1
618	1	47	THR	HG23	H	1.271	0.030	1
619	1	47	THR	C	C	175.669	0.450	1
620	1	47	THR	CA	C	66.763	0.450	1
621	1	47	THR	CB	C	68.885	0.450	1
622	1	47	THR	CG2	C	21.697	0.450	1
623	1	47	THR	N	N	117.098	0.450	1
624	1	48	ASN	H	H	8.293	0.030	1
625	1	48	ASN	HA	H	4.382	0.030	1
626	1	48	ASN	HB2	H	3.088	0.030	2
627	1	48	ASN	HB3	H	2.440	0.030	2
628	1	48	ASN	C	C	177.316	0.450	1
629	1	48	ASN	CA	C	54.816	0.450	1
630	1	48	ASN	CB	C	37.415	0.450	1
631	1	48	ASN	N	N	120.736	0.450	1
632	1	49	LYS	H	H	8.669	0.030	1
633	1	49	LYS	HA	H	3.615	0.030	1
634	1	49	LYS	HB2	H	2.066	0.030	2
635	1	49	LYS	HB3	H	1.836	0.030	2
636	1	49	LYS	HG2	H	1.415	0.030	2
637	1	49	LYS	HG3	H	1.415	0.030	2
638	1	49	LYS	HD2	H	1.540	0.030	2
639	1	49	LYS	HD3	H	1.540	0.030	2
640	1	49	LYS	HE2	H	2.618	0.030	2
641	1	49	LYS	HE3	H	2.531	0.030	2
642	1	49	LYS	C	C	177.538	0.450	1
643	1	49	LYS	CA	C	61.365	0.450	1
644	1	49	LYS	CB	C	32.567	0.450	1
645	1	49	LYS	CG	C	24.981	0.450	1
646	1	49	LYS	CD	C	30.146	0.450	1
647	1	49	LYS	CE	C	41.614	0.450	1
648	1	49	LYS	N	N	121.262	0.450	1
649	1	50	GLU	H	H	7.876	0.030	1
650	1	50	GLU	HA	H	4.051	0.030	1
651	1	50	GLU	HB2	H	2.089	0.030	2
652	1	50	GLU	HB3	H	2.089	0.030	2
653	1	50	GLU	HG2	H	2.252	0.030	2
654	1	50	GLU	HG3	H	2.090	0.030	2
655	1	50	GLU	C	C	180.136	0.450	1
656	1	50	GLU	CA	C	59.659	0.450	1
657	1	50	GLU	CB	C	29.634	0.450	1
658	1	50	GLU	CG	C	36.595	0.450	1
659	1	50	GLU	N	N	117.444	0.450	1
660	1	51	ILE	H	H	8.647	0.030	1
661	1	51	ILE	HA	H	3.880	0.030	1
662	1	51	ILE	HB	H	1.878	0.030	1
663	1	51	ILE	HG12	H	1.677	0.030	2
664	1	51	ILE	HG13	H	1.333	0.030	2
665	1	51	ILE	HG21	H	0.896	0.030	1
666	1	51	ILE	HG22	H	0.896	0.030	1
667	1	51	ILE	HG23	H	0.896	0.030	1
668	1	51	ILE	HD11	H	0.807	0.030	1
669	1	51	ILE	HD12	H	0.807	0.030	1
670	1	51	ILE	HD13	H	0.807	0.030	1
671	1	51	ILE	C	C	178.742	0.450	1
672	1	51	ILE	CA	C	65.354	0.450	1
673	1	51	ILE	CB	C	38.025	0.450	1
674	1	51	ILE	CG1	C	27.591	0.450	1
675	1	51	ILE	CG2	C	17.934	0.450	1
676	1	51	ILE	CD1	C	13.916	0.450	1
677	1	51	ILE	N	N	119.363	0.450	1
678	1	52	ALA	H	H	8.645	0.030	1
679	1	52	ALA	HA	H	3.960	0.030	1
680	1	52	ALA	HB1	H	1.650	0.030	1
681	1	52	ALA	HB2	H	1.650	0.030	1
682	1	52	ALA	HB3	H	1.650	0.030	1
683	1	52	ALA	C	C	179.661	0.450	1
684	1	52	ALA	CA	C	55.565	0.450	1
685	1	52	ALA	CB	C	17.875	0.450	1
686	1	52	ALA	N	N	121.999	0.450	1
687	1	53	GLU	H	H	8.648	0.030	1
688	1	53	GLU	HA	H	3.926	0.030	1
689	1	53	GLU	HB2	H	2.199	0.030	2
690	1	53	GLU	HB3	H	2.049	0.030	2
691	1	53	GLU	HG2	H	2.423	0.030	2
692	1	53	GLU	HG3	H	2.251	0.030	2
693	1	53	GLU	C	C	180.374	0.450	1
694	1	53	GLU	CA	C	59.594	0.450	1
695	1	53	GLU	CB	C	29.486	0.450	1
696	1	53	GLU	CG	C	36.636	0.450	1
697	1	53	GLU	N	N	117.891	0.450	1
698	1	54	THR	H	H	8.152	0.030	1
699	1	54	THR	HA	H	4.028	0.030	1
700	1	54	THR	HB	H	4.379	0.030	1
701	1	54	THR	HG21	H	1.342	0.030	1
702	1	54	THR	HG22	H	1.342	0.030	1
703	1	54	THR	HG23	H	1.342	0.030	1
704	1	54	THR	C	C	175.447	0.450	1
705	1	54	THR	CA	C	66.002	0.450	1
706	1	54	THR	CB	C	68.932	0.450	1
707	1	54	THR	CG2	C	21.772	0.450	1
708	1	54	THR	N	N	115.954	0.450	1
709	1	55	ALA	H	H	7.711	0.030	1
710	1	55	ALA	HA	H	4.529	0.030	1
711	1	55	ALA	HB1	H	1.259	0.030	1
712	1	55	ALA	HB2	H	1.259	0.030	1
713	1	55	ALA	HB3	H	1.259	0.030	1
714	1	55	ALA	C	C	176.603	0.450	1
715	1	55	ALA	CA	C	52.308	0.450	1
716	1	55	ALA	CB	C	20.087	0.450	1
717	1	55	ALA	N	N	120.907	0.450	1
718	1	56	GLY	H	H	7.589	0.030	1
719	1	56	GLY	HA2	H	4.265	0.030	2
720	1	56	GLY	HA3	H	3.882	0.030	2
721	1	56	GLY	C	C	175.906	0.450	1
722	1	56	GLY	CA	C	45.628	0.450	1
723	1	56	GLY	N	N	104.763	0.450	1
724	1	57	PHE	H	H	8.728	0.030	1
725	1	57	PHE	HA	H	5.160	0.030	1
726	1	57	PHE	HB2	H	3.076	0.030	1
727	1	57	PHE	HB3	H	3.249	0.030	1
728	1	57	PHE	HD1	H	7.117	0.030	1
729	1	57	PHE	HD2	H	7.117	0.030	1
730	1	57	PHE	HE1	H	7.263	0.030	1
731	1	57	PHE	HE2	H	7.263	0.030	1
732	1	57	PHE	HZ	H	7.323	0.030	1
733	1	57	PHE	CA	C	54.103	0.450	1
734	1	57	PHE	CB	C	36.162	0.450	1
735	1	57	PHE	CD1	C	130.721	0.450	1
736	1	57	PHE	CD2	C	130.721	0.450	1
737	1	57	PHE	CE1	C	131.210	0.450	1
738	1	57	PHE	CE2	C	131.210	0.450	1
739	1	57	PHE	CZ	C	129.546	0.450	1
740	1	57	PHE	N	N	122.984	0.450	1
741	1	58	SER	HA	H	3.981	0.030	1
742	1	59	SER	HA	H	4.101	0.030	1
743	1	59	SER	HB2	H	3.228	0.030	2
744	1	59	SER	HB3	H	3.228	0.030	2
745	1	59	SER	C	C	177.079	0.450	1
746	1	59	SER	CA	C	61.733	0.450	1
747	1	60	VAL	H	H	7.317	0.030	1
748	1	60	VAL	HA	H	3.574	0.030	1
749	1	60	VAL	HB	H	2.261	0.030	1
750	1	60	VAL	HG11	H	0.907	0.030	2
751	1	60	VAL	HG12	H	0.907	0.030	2
752	1	60	VAL	HG13	H	0.907	0.030	2
753	1	60	VAL	HG21	H	1.052	0.030	2
754	1	60	VAL	HG22	H	1.052	0.030	2
755	1	60	VAL	HG23	H	1.052	0.030	2
756	1	60	VAL	C	C	177.301	0.450	1
757	1	60	VAL	CA	C	66.131	0.450	1
758	1	60	VAL	CB	C	32.121	0.450	1
759	1	60	VAL	CG1	C	21.456	0.450	1
760	1	60	VAL	CG2	C	23.000	0.450	1
761	1	60	VAL	N	N	122.206	0.450	1
762	1	61	ALA	H	H	8.167	0.030	1
763	1	61	ALA	HA	H	3.867	0.030	1
764	1	61	ALA	HB1	H	1.571	0.030	1
765	1	61	ALA	HB2	H	1.571	0.030	1
766	1	61	ALA	HB3	H	1.571	0.030	1
767	1	61	ALA	C	C	178.726	0.450	1
768	1	61	ALA	CA	C	56.013	0.450	1
769	1	61	ALA	CB	C	18.522	0.450	1
770	1	61	ALA	N	N	120.733	0.450	1
771	1	62	LYS	H	H	7.813	0.030	1
772	1	62	LYS	HA	H	4.187	0.030	1
773	1	62	LYS	HB2	H	1.986	0.030	2
774	1	62	LYS	HB3	H	1.986	0.030	2
775	1	62	LYS	HG2	H	1.636	0.030	2
776	1	62	LYS	HG3	H	1.636	0.030	2
777	1	62	LYS	HD2	H	1.767	0.030	2
778	1	62	LYS	HD3	H	1.767	0.030	2
779	1	62	LYS	HE2	H	2.972	0.030	2
780	1	62	LYS	HE3	H	2.972	0.030	2
781	1	62	LYS	C	C	179.202	0.450	1
782	1	62	LYS	CA	C	59.463	0.450	1
783	1	62	LYS	CB	C	32.363	0.450	1
784	1	62	LYS	CG	C	25.015	0.450	1
785	1	62	LYS	CD	C	28.948	0.450	1
786	1	62	LYS	CE	C	42.033	0.450	1
787	1	62	LYS	N	N	115.917	0.450	1
788	1	63	VAL	H	H	7.563	0.030	1
789	1	63	VAL	HA	H	3.873	0.030	1
790	1	63	VAL	HB	H	2.202	0.030	1
791	1	63	VAL	HG11	H	1.052	0.030	2
792	1	63	VAL	HG12	H	1.052	0.030	2
793	1	63	VAL	HG13	H	1.052	0.030	2
794	1	63	VAL	HG21	H	1.134	0.030	2
795	1	63	VAL	HG22	H	1.134	0.030	2
796	1	63	VAL	HG23	H	1.134	0.030	2
797	1	63	VAL	CA	C	66.357	0.450	1
798	1	63	VAL	CB	C	31.708	0.450	1
799	1	63	VAL	CG1	C	22.972	0.450	1
800	1	63	VAL	CG2	C	22.536	0.450	1
801	1	63	VAL	N	N	120.087	0.450	1
802	1	64	GLU	H	H	8.427	0.030	1
803	1	64	GLU	HA	H	4.351	0.030	1
804	1	64	GLU	HB2	H	1.965	0.030	2
805	1	64	GLU	HB3	H	1.965	0.030	2
806	1	64	GLU	C	C	178.932	0.450	1
807	1	64	GLU	CA	C	58.378	0.450	1
808	1	64	GLU	N	N	119.101	0.450	1
809	1	65	HIS	H	H	8.579	0.030	1
810	1	65	HIS	HA	H	4.465	0.030	1
811	1	65	HIS	HB2	H	3.142	0.030	1
812	1	65	HIS	HB3	H	3.471	0.030	1
813	1	65	HIS	HD2	H	7.055	0.030	1
814	1	65	HIS	HE1	H	7.755	0.030	1
815	1	65	HIS	C	C	177.776	0.450	1
816	1	65	HIS	CA	C	59.056	0.450	1
817	1	65	HIS	CB	C	31.554	0.450	1
818	1	65	HIS	CD2	C	118.869	0.450	1
819	1	65	HIS	CE1	C	138.444	0.450	1
820	1	65	HIS	N	N	118.219	0.450	1
821	1	65	HIS	ND1	N	233.640	0.450	1
822	1	65	HIS	NE2	N	177.404	0.450	1
823	1	66	THR	H	H	8.190	0.030	1
824	1	66	THR	HA	H	4.042	0.030	1
825	1	66	THR	HB	H	4.379	0.030	1
826	1	66	THR	HG21	H	1.395	0.030	1
827	1	66	THR	HG22	H	1.395	0.030	1
828	1	66	THR	HG23	H	1.395	0.030	1
829	1	66	THR	C	C	177.301	0.450	1
830	1	66	THR	CA	C	66.052	0.450	1
831	1	66	THR	CB	C	68.747	0.450	1
832	1	66	THR	CG2	C	22.133	0.450	1
833	1	66	THR	N	N	113.421	0.450	1
834	1	67	ALA	H	H	8.118	0.030	1
835	1	67	ALA	HA	H	4.066	0.030	1
836	1	67	ALA	HB1	H	1.571	0.030	1
837	1	67	ALA	HB2	H	1.571	0.030	1
838	1	67	ALA	HB3	H	1.571	0.030	1
839	1	67	ALA	C	C	178.489	0.450	1
840	1	67	ALA	CA	C	55.574	0.450	1
841	1	67	ALA	CB	C	18.511	0.450	1
842	1	67	ALA	N	N	124.566	0.450	1
843	1	68	MET	H	H	8.886	0.030	1
844	1	68	MET	HA	H	3.787	0.030	1
845	1	68	MET	HB2	H	2.286	0.030	2
846	1	68	MET	HB3	H	2.286	0.030	2
847	1	68	MET	HG2	H	2.429	0.030	2
848	1	68	MET	HG3	H	2.278	0.030	2
849	1	68	MET	HE1	H	1.925	0.030	1
850	1	68	MET	HE2	H	1.925	0.030	1
851	1	68	MET	HE3	H	1.925	0.030	1
852	1	68	MET	C	C	177.554	0.450	1
853	1	68	MET	CA	C	59.957	0.450	1
854	1	68	MET	CB	C	33.400	0.450	1
855	1	68	MET	CG	C	32.811	0.450	1
856	1	68	MET	CE	C	16.674	0.450	1
857	1	68	MET	N	N	118.515	0.450	1
858	1	69	ASN	H	H	8.227	0.030	1
859	1	69	ASN	HA	H	4.571	0.030	1
860	1	69	ASN	HB2	H	2.794	0.030	2
861	1	69	ASN	HB3	H	2.794	0.030	2
862	1	69	ASN	HD21	H	7.515	0.030	2
863	1	69	ASN	HD22	H	6.336	0.030	2
864	1	69	ASN	C	C	177.554	0.450	1
865	1	69	ASN	CA	C	56.012	0.450	1
866	1	69	ASN	CB	C	38.287	0.450	1
867	1	69	ASN	N	N	117.424	0.450	1
868	1	69	ASN	ND2	N	110.482	0.450	1
869	1	70	LEU	H	H	7.394	0.030	1
870	1	70	LEU	HA	H	4.112	0.030	1
871	1	70	LEU	HB2	H	1.985	0.030	1
872	1	70	LEU	HB3	H	1.508	0.030	1
873	1	70	LEU	HG	H	1.817	0.030	1
874	1	70	LEU	HD11	H	0.878	0.030	2
875	1	70	LEU	HD12	H	0.878	0.030	2
876	1	70	LEU	HD13	H	0.878	0.030	2
877	1	70	LEU	HD21	H	0.859	0.030	2
878	1	70	LEU	HD22	H	0.859	0.030	2
879	1	70	LEU	HD23	H	0.859	0.030	2
880	1	70	LEU	C	C	178.251	0.450	1
881	1	70	LEU	CA	C	57.961	0.450	1
882	1	70	LEU	CB	C	42.200	0.450	1
883	1	70	LEU	CG	C	26.649	0.450	1
884	1	70	LEU	CD1	C	24.934	0.450	1
885	1	70	LEU	CD2	C	23.581	0.450	1
886	1	70	LEU	N	N	119.941	0.450	1
887	1	71	VAL	H	H	8.034	0.030	1
888	1	71	VAL	HA	H	3.649	0.030	1
889	1	71	VAL	HB	H	2.378	0.030	1
890	1	71	VAL	HG11	H	1.364	0.030	2
891	1	71	VAL	HG12	H	1.364	0.030	2
892	1	71	VAL	HG13	H	1.364	0.030	2
893	1	71	VAL	HG21	H	1.259	0.030	2
894	1	71	VAL	HG22	H	1.259	0.030	2
895	1	71	VAL	HG23	H	1.259	0.030	2
896	1	71	VAL	C	C	177.744	0.450	1
897	1	71	VAL	CA	C	66.600	0.450	1
898	1	71	VAL	CB	C	31.755	0.450	1
899	1	71	VAL	CG1	C	23.677	0.450	1
900	1	71	VAL	CG2	C	23.385	0.450	1
901	1	71	VAL	N	N	118.704	0.450	1
902	1	72	ASP	H	H	8.957	0.030	1
903	1	72	ASP	HA	H	4.230	0.030	1
904	1	72	ASP	HB2	H	2.941	0.030	1
905	1	72	ASP	HB3	H	2.806	0.030	1
906	1	72	ASP	C	C	178.346	0.450	1
907	1	72	ASP	CA	C	57.734	0.450	1
908	1	72	ASP	CB	C	42.096	0.450	1
909	1	72	ASP	N	N	120.378	0.450	1
910	1	73	LYS	H	H	7.553	0.030	1
911	1	73	LYS	HA	H	4.051	0.030	1
912	1	73	LYS	HB2	H	2.055	0.030	2
913	1	73	LYS	HB3	H	1.637	0.030	2
914	1	73	LYS	HG2	H	1.757	0.030	2
915	1	73	LYS	HG3	H	1.502	0.030	2
916	1	73	LYS	HD2	H	1.609	0.030	2
917	1	73	LYS	HD3	H	1.609	0.030	2
918	1	73	LYS	HE2	H	2.960	0.030	2
919	1	73	LYS	HE3	H	2.960	0.030	2
920	1	73	LYS	C	C	179.186	0.450	1
921	1	73	LYS	CA	C	59.568	0.450	1
922	1	73	LYS	CB	C	32.644	0.450	1
923	1	73	LYS	CG	C	25.535	0.450	1
924	1	73	LYS	CD	C	29.341	0.450	1
925	1	73	LYS	CE	C	42.105	0.450	1
926	1	73	LYS	N	N	116.949	0.450	1
927	1	74	MET	H	H	7.652	0.030	1
928	1	74	MET	HA	H	3.963	0.030	1
929	1	74	MET	HB2	H	1.583	0.030	2
930	1	74	MET	HB3	H	1.583	0.030	2
931	1	74	MET	HG2	H	2.207	0.030	2
932	1	74	MET	HG3	H	1.880	0.030	2
933	1	74	MET	HE1	H	1.017	0.030	1
934	1	74	MET	HE2	H	1.017	0.030	1
935	1	74	MET	HE3	H	1.017	0.030	1
936	1	74	MET	C	C	179.407	0.450	1
937	1	74	MET	CA	C	58.807	0.450	1
938	1	74	MET	CB	C	32.111	0.450	1
939	1	74	MET	CG	C	31.775	0.450	1
940	1	74	MET	CE	C	16.371	0.450	1
941	1	74	MET	N	N	119.722	0.450	1
942	1	75	LEU	H	H	8.534	0.030	1
943	1	75	LEU	HA	H	4.031	0.030	1
944	1	75	LEU	HB2	H	1.893	0.030	1
945	1	75	LEU	HB3	H	1.361	0.030	1
946	1	75	LEU	HG	H	1.671	0.030	1
947	1	75	LEU	HD11	H	0.654	0.030	2
948	1	75	LEU	HD12	H	0.654	0.030	2
949	1	75	LEU	HD13	H	0.654	0.030	2
950	1	75	LEU	HD21	H	0.856	0.030	2
951	1	75	LEU	HD22	H	0.856	0.030	2
952	1	75	LEU	HD23	H	0.856	0.030	2
953	1	75	LEU	C	C	178.505	0.450	1
954	1	75	LEU	CA	C	57.467	0.450	1
955	1	75	LEU	CB	C	41.916	0.450	1
956	1	75	LEU	CG	C	26.810	0.450	1
957	1	75	LEU	CD1	C	25.562	0.450	1
958	1	75	LEU	CD2	C	23.739	0.450	1
959	1	75	LEU	N	N	120.512	0.450	1
960	1	76	ASN	H	H	7.712	0.030	1
961	1	76	ASN	HA	H	4.823	0.030	1
962	1	76	ASN	HB2	H	2.942	0.030	2
963	1	76	ASN	HB3	H	2.661	0.030	2
964	1	76	ASN	HD21	H	7.542	0.030	2
965	1	76	ASN	HD22	H	6.701	0.030	2
966	1	76	ASN	C	C	174.322	0.450	1
967	1	76	ASN	CA	C	53.206	0.450	1
968	1	76	ASN	CB	C	39.289	0.450	1
969	1	76	ASN	N	N	115.073	0.450	1
970	1	76	ASN	ND2	N	115.455	0.450	1
971	1	77	SER	H	H	7.840	0.030	1
972	1	77	SER	HA	H	4.371	0.030	1
973	1	77	SER	HB2	H	4.085	0.030	2
974	1	77	SER	HB3	H	4.045	0.030	2
975	1	77	SER	C	C	173.989	0.450	1
976	1	77	SER	CA	C	59.248	0.450	1
977	1	77	SER	CB	C	61.984	0.450	1
978	1	77	SER	N	N	111.937	0.450	1
979	1	78	GLU	H	H	8.526	0.030	1
980	1	78	GLU	HA	H	4.224	0.030	1
981	1	78	GLU	HB2	H	2.112	0.030	2
982	1	78	GLU	HB3	H	1.911	0.030	2
983	1	78	GLU	HG2	H	2.241	0.030	2
984	1	78	GLU	HG3	H	2.192	0.030	2
985	1	78	GLU	C	C	176.350	0.450	1
986	1	78	GLU	CA	C	57.368	0.450	1
987	1	78	GLU	CB	C	30.495	0.450	1
988	1	78	GLU	CG	C	36.753	0.450	1
989	1	78	GLU	N	N	118.558	0.450	1
990	1	79	ILE	H	H	7.204	0.030	1
991	1	79	ILE	HA	H	4.371	0.030	1
992	1	79	ILE	HB	H	1.681	0.030	1
993	1	79	ILE	HG12	H	1.270	0.030	2
994	1	79	ILE	HG13	H	0.907	0.030	2
995	1	79	ILE	HG21	H	0.759	0.030	1
996	1	79	ILE	HG22	H	0.759	0.030	1
997	1	79	ILE	HG23	H	0.759	0.030	1
998	1	79	ILE	HD11	H	0.809	0.030	1
999	1	79	ILE	HD12	H	0.809	0.030	1
1000	1	79	ILE	HD13	H	0.809	0.030	1
1001	1	79	ILE	C	C	174.021	0.450	1
1002	1	79	ILE	CA	C	59.388	0.450	1
1003	1	79	ILE	CB	C	40.941	0.450	1
1004	1	79	ILE	CG1	C	26.198	0.450	1
1005	1	79	ILE	CG2	C	17.440	0.450	1
1006	1	79	ILE	CD1	C	13.905	0.450	1
1007	1	79	ILE	N	N	114.777	0.450	1
1008	1	80	LYS	H	H	8.210	0.030	1
1009	1	80	LYS	HA	H	4.254	0.030	1
1010	1	80	LYS	HB2	H	1.731	0.030	2
1011	1	80	LYS	HB3	H	1.698	0.030	2
1012	1	80	LYS	HG2	H	1.463	0.030	2
1013	1	80	LYS	HG3	H	1.377	0.030	2
1014	1	80	LYS	HD2	H	1.675	0.030	2
1015	1	80	LYS	HD3	H	1.675	0.030	2
1016	1	80	LYS	HE2	H	3.012	0.030	2
1017	1	80	LYS	HE3	H	2.995	0.030	2
1018	1	80	LYS	C	C	175.938	0.450	1
1019	1	80	LYS	CA	C	55.491	0.450	1
1020	1	80	LYS	CB	C	32.913	0.450	1
1021	1	80	LYS	CG	C	24.782	0.450	1
1022	1	80	LYS	CD	C	28.890	0.450	1
1023	1	80	LYS	CE	C	42.051	0.450	1
1024	1	80	LYS	N	N	124.347	0.450	1
1025	1	81	ILE	H	H	8.719	0.030	1
1026	1	81	ILE	HA	H	3.771	0.030	1
1027	1	81	ILE	HB	H	1.825	0.030	1
1028	1	81	ILE	HG12	H	1.661	0.030	2
1029	1	81	ILE	HG13	H	0.791	0.030	2
1030	1	81	ILE	HG21	H	0.967	0.030	1
1031	1	81	ILE	HG22	H	0.967	0.030	1
1032	1	81	ILE	HG23	H	0.967	0.030	1
1033	1	81	ILE	HD11	H	0.788	0.030	1
1034	1	81	ILE	HD12	H	0.788	0.030	1
1035	1	81	ILE	HD13	H	0.788	0.030	1
1036	1	81	ILE	C	C	175.472	0.450	1
1037	1	81	ILE	CA	C	63.273	0.450	1
1038	1	81	ILE	CB	C	37.356	0.450	1
1039	1	81	ILE	CG1	C	27.984	0.450	1
1040	1	81	ILE	CG2	C	17.968	0.450	1
1041	1	81	ILE	CD1	C	13.753	0.450	1
1042	1	81	ILE	N	N	124.048	0.450	1
1043	1	82	THR	H	H	6.906	0.030	1
1044	1	82	THR	HB	H	4.651	0.030	1
1045	1	82	THR	HG21	H	1.206	0.030	1
1046	1	82	THR	HG22	H	1.206	0.030	1
1047	1	82	THR	HG23	H	1.206	0.030	1
1048	1	82	THR	CA	C	59.295	0.450	1
1049	1	82	THR	CB	C	72.387	0.450	1
1050	1	82	THR	CG2	C	21.807	0.450	1
1051	1	82	THR	N	N	116.452	0.450	1
1052	1	83	SER	HA	H	4.183	0.030	1
1053	1	83	SER	C	C	176.356	0.450	1
1054	1	83	SER	CA	C	61.985	0.450	1
1055	1	83	SER	CB	C	62.282	0.450	1
1056	1	84	ASP	H	H	8.243	0.030	1
1057	1	84	ASP	HA	H	4.479	0.030	1
1058	1	84	ASP	HB2	H	2.651	0.030	2
1059	1	84	ASP	HB3	H	2.651	0.030	2
1060	1	84	ASP	C	C	177.982	0.450	1
1061	1	84	ASP	CA	C	56.798	0.450	1
1062	1	84	ASP	CB	C	40.729	0.450	1
1063	1	84	ASP	N	N	120.304	0.450	1
1064	1	85	LEU	H	H	7.627	0.030	1
1065	1	85	LEU	HA	H	4.156	0.030	1
1066	1	85	LEU	HB2	H	1.817	0.030	2
1067	1	85	LEU	HB3	H	1.777	0.030	2
1068	1	85	LEU	HG	H	1.684	0.030	1
1069	1	85	LEU	HD11	H	0.987	0.030	2
1070	1	85	LEU	HD12	H	0.987	0.030	2
1071	1	85	LEU	HD13	H	0.987	0.030	2
1072	1	85	LEU	HD21	H	0.819	0.030	2
1073	1	85	LEU	HD22	H	0.819	0.030	2
1074	1	85	LEU	HD23	H	0.819	0.030	2
1075	1	85	LEU	C	C	178.489	0.450	1
1076	1	85	LEU	CA	C	57.680	0.450	1
1077	1	85	LEU	CB	C	41.814	0.450	1
1078	1	85	LEU	CG	C	27.098	0.450	1
1079	1	85	LEU	CD1	C	24.871	0.450	1
1080	1	85	LEU	CD2	C	25.502	0.450	1
1081	1	85	LEU	N	N	121.418	0.450	1
1082	1	86	ILE	H	H	7.794	0.030	1
1083	1	86	ILE	HA	H	3.652	0.030	1
1084	1	86	ILE	HB	H	2.122	0.030	1
1085	1	86	ILE	HG12	H	2.038	0.030	2
1086	1	86	ILE	HG13	H	1.203	0.030	2
1087	1	86	ILE	HG21	H	1.029	0.030	1
1088	1	86	ILE	HG22	H	1.029	0.030	1
1089	1	86	ILE	HG23	H	1.029	0.030	1
1090	1	86	ILE	HD11	H	1.002	0.030	1
1091	1	86	ILE	HD12	H	1.002	0.030	1
1092	1	86	ILE	HD13	H	1.002	0.030	1
1093	1	86	ILE	C	C	177.792	0.450	1
1094	1	86	ILE	CA	C	66.585	0.450	1
1095	1	86	ILE	CB	C	37.724	0.450	1
1096	1	86	ILE	CG1	C	29.867	0.450	1
1097	1	86	ILE	CG2	C	17.670	0.450	1
1098	1	86	ILE	CD1	C	13.883	0.450	1
1099	1	86	ILE	N	N	118.953	0.450	1
1100	1	87	ASP	H	H	8.121	0.030	1
1101	1	87	ASP	HA	H	4.429	0.030	1
1102	1	87	ASP	HB2	H	2.840	0.030	2
1103	1	87	ASP	HB3	H	2.732	0.030	2
1104	1	87	ASP	C	C	178.251	0.450	1
1105	1	87	ASP	CA	C	57.688	0.450	1
1106	1	87	ASP	CB	C	41.158	0.450	1
1107	1	87	ASP	N	N	118.878	0.450	1
1108	1	88	LYS	H	H	7.947	0.030	1
1109	1	88	LYS	HA	H	4.047	0.030	1
1110	1	88	LYS	HB2	H	2.127	0.030	2
1111	1	88	LYS	HB3	H	1.903	0.030	2
1112	1	88	LYS	HG2	H	1.736	0.030	2
1113	1	88	LYS	HG3	H	1.440	0.030	2
1114	1	88	LYS	HD2	H	1.632	0.030	2
1115	1	88	LYS	HD3	H	1.632	0.030	2
1116	1	88	LYS	HE2	H	2.860	0.030	2
1117	1	88	LYS	HE3	H	2.860	0.030	2
1118	1	88	LYS	C	C	179.534	0.450	1
1119	1	88	LYS	CA	C	59.841	0.450	1
1120	1	88	LYS	CB	C	32.567	0.450	1
1121	1	88	LYS	CG	C	25.607	0.450	1
1122	1	88	LYS	CD	C	29.234	0.450	1
1123	1	88	LYS	CE	C	41.892	0.450	1
1124	1	88	LYS	N	N	119.198	0.450	1
1125	1	89	ILE	H	H	8.188	0.030	1
1126	1	89	ILE	HA	H	3.699	0.030	1
1127	1	89	ILE	HB	H	2.299	0.030	1
1128	1	89	ILE	HG12	H	1.776	0.030	2
1129	1	89	ILE	HG13	H	1.465	0.030	2
1130	1	89	ILE	HG21	H	1.033	0.030	1
1131	1	89	ILE	HG22	H	1.033	0.030	1
1132	1	89	ILE	HG23	H	1.033	0.030	1
1133	1	89	ILE	HD11	H	0.873	0.030	1
1134	1	89	ILE	HD12	H	0.873	0.030	1
1135	1	89	ILE	HD13	H	0.873	0.030	1
1136	1	89	ILE	C	C	177.570	0.450	1
1137	1	89	ILE	CA	C	64.537	0.450	1
1138	1	89	ILE	CB	C	36.664	0.450	1
1139	1	89	ILE	CG1	C	29.186	0.450	1
1140	1	89	ILE	CG2	C	17.760	0.450	1
1141	1	89	ILE	CD1	C	13.029	0.450	1
1142	1	89	ILE	N	N	119.661	0.450	1
1143	1	90	LYS	H	H	8.656	0.030	1
1144	1	90	LYS	HA	H	3.814	0.030	1
1145	1	90	LYS	HB2	H	2.023	0.030	2
1146	1	90	LYS	HB3	H	2.023	0.030	2
1147	1	90	LYS	HG2	H	1.695	0.030	2
1148	1	90	LYS	HG3	H	1.494	0.030	2
1149	1	90	LYS	HD2	H	1.752	0.030	2
1150	1	90	LYS	HD3	H	1.696	0.030	2
1151	1	90	LYS	HE2	H	2.925	0.030	2
1152	1	90	LYS	HE3	H	2.857	0.030	2
1153	1	90	LYS	C	C	178.980	0.450	1
1154	1	90	LYS	CA	C	60.536	0.450	1
1155	1	90	LYS	CB	C	32.478	0.450	1
1156	1	90	LYS	CG	C	26.009	0.450	1
1157	1	90	LYS	CD	C	29.719	0.450	1
1158	1	90	LYS	CE	C	41.867	0.450	1
1159	1	90	LYS	N	N	120.778	0.450	1
1160	1	91	LYS	H	H	8.264	0.030	1
1161	1	91	LYS	HA	H	4.158	0.030	1
1162	1	91	LYS	HB2	H	1.977	0.030	2
1163	1	91	LYS	HB3	H	1.977	0.030	2
1164	1	91	LYS	HG2	H	1.663	0.030	2
1165	1	91	LYS	HG3	H	1.526	0.030	2
1166	1	91	LYS	HD2	H	1.691	0.030	2
1167	1	91	LYS	HD3	H	1.691	0.030	2
1168	1	91	LYS	HE2	H	2.974	0.030	2
1169	1	91	LYS	HE3	H	2.974	0.030	2
1170	1	91	LYS	C	C	179.713	0.450	1
1171	1	91	LYS	CA	C	59.134	0.450	1
1172	1	91	LYS	CB	C	32.353	0.450	1
1173	1	91	LYS	CG	C	25.842	0.450	1
1174	1	91	LYS	CD	C	29.384	0.450	1
1175	1	91	LYS	CE	C	42.016	0.450	1
1176	1	91	LYS	N	N	118.151	0.450	1
1177	1	92	LYS	H	H	7.917	0.030	1
1178	1	92	LYS	HA	H	4.159	0.030	1
1179	1	92	LYS	HB2	H	2.198	0.030	1
1180	1	92	LYS	HB3	H	1.778	0.030	1
1181	1	92	LYS	HG2	H	1.742	0.030	2
1182	1	92	LYS	HG3	H	1.520	0.030	2
1183	1	92	LYS	HD2	H	1.515	0.030	2
1184	1	92	LYS	HD3	H	1.515	0.030	2
1185	1	92	LYS	HE2	H	2.869	0.030	2
1186	1	92	LYS	HE3	H	2.869	0.030	2
1187	1	92	LYS	C	C	178.726	0.450	1
1188	1	92	LYS	CA	C	58.726	0.450	1
1189	1	92	LYS	CB	C	32.189	0.450	1
1190	1	92	LYS	CG	C	25.228	0.450	1
1191	1	92	LYS	CD	C	29.143	0.450	1
1192	1	92	LYS	CE	C	41.917	0.450	1
1193	1	92	LYS	N	N	119.748	0.450	1
1194	1	93	VAL	H	H	8.518	0.030	1
1195	1	93	VAL	HA	H	4.044	0.030	1
1196	1	93	VAL	HB	H	2.270	0.030	1
1197	1	93	VAL	HG11	H	0.963	0.030	2
1198	1	93	VAL	HG12	H	0.963	0.030	2
1199	1	93	VAL	HG13	H	0.963	0.030	2
1200	1	93	VAL	HG21	H	1.028	0.030	2
1201	1	93	VAL	HG22	H	1.028	0.030	2
1202	1	93	VAL	HG23	H	1.028	0.030	2
1203	1	93	VAL	CA	C	62.382	0.450	1
1204	1	93	VAL	CB	C	32.581	0.450	1
1205	1	93	VAL	CG1	C	21.278	0.450	1
1206	1	93	VAL	CG2	C	22.585	0.450	1
1207	1	93	VAL	N	N	116.198	0.450	1
1208	1	94	ASP	H	H	8.450	0.030	1
1209	1	94	ASP	HA	H	4.465	0.030	1
1210	1	94	ASP	HB2	H	2.823	0.030	2
1211	1	94	ASP	HB3	H	2.749	0.030	2
1212	1	94	ASP	CA	C	57.382	0.450	1
1213	1	94	ASP	CB	C	40.852	0.450	1
1214	1	95	MET	H	H	8.292	0.030	1
1215	1	95	MET	HA	H	4.159	0.030	1
1216	1	95	MET	HB2	H	2.337	0.030	2
1217	1	95	MET	HB3	H	2.262	0.030	2
1218	1	95	MET	HG2	H	2.792	0.030	2
1219	1	95	MET	HG3	H	2.646	0.030	2
1220	1	95	MET	HE1	H	2.133	0.030	1
1221	1	95	MET	HE2	H	2.133	0.030	1
1222	1	95	MET	HE3	H	2.133	0.030	1
1223	1	95	MET	CA	C	59.017	0.450	1
1224	1	95	MET	CB	C	32.418	0.450	1
1225	1	95	MET	CG	C	32.309	0.450	1
1226	1	95	MET	CE	C	17.099	0.450	1
1227	1	95	MET	N	N	119.188	0.450	1
1228	1	97	THR	H	H	7.974	0.030	1
1229	1	97	THR	HA	H	4.015	0.030	1
1230	1	97	THR	HB	H	4.365	0.030	1
1231	1	97	THR	HG21	H	1.258	0.030	1
1232	1	97	THR	HG22	H	1.258	0.030	1
1233	1	97	THR	HG23	H	1.258	0.030	1
1234	1	97	THR	C	C	176.413	0.450	1
1235	1	97	THR	CA	C	65.534	0.450	1
1236	1	97	THR	CB	C	68.323	0.450	1
1237	1	97	THR	CG2	C	22.163	0.450	1
1238	1	97	THR	N	N	115.588	0.450	1
1239	1	98	ARG	H	H	7.845	0.030	1
1240	1	98	ARG	HA	H	4.177	0.030	1
1241	1	98	ARG	HB2	H	2.012	0.030	2
1242	1	98	ARG	HB3	H	1.924	0.030	2
1243	1	98	ARG	HG2	H	1.841	0.030	2
1244	1	98	ARG	HG3	H	1.676	0.030	2
1245	1	98	ARG	HD2	H	3.256	0.030	2
1246	1	98	ARG	HD3	H	3.193	0.030	2
1247	1	98	ARG	CA	C	58.820	0.450	1
1248	1	98	ARG	CB	C	30.088	0.450	1
1249	1	98	ARG	CG	C	27.726	0.450	1
1250	1	98	ARG	CD	C	43.483	0.450	1
1251	1	98	ARG	N	N	121.833	0.450	1
1252	1	99	GLU	H	H	7.946	0.030	1
1253	1	99	GLU	HA	H	4.075	0.030	1
1254	1	99	GLU	HB2	H	2.078	0.030	2
1255	1	99	GLU	HB3	H	2.078	0.030	2
1256	1	99	GLU	C	C	178.700	0.450	1
1257	1	99	GLU	CA	C	58.100	0.450	1
1258	1	99	GLU	CB	C	29.482	0.450	1
1259	1	99	GLU	N	N	117.800	0.450	1
1260	1	100	ILE	H	H	7.910	0.030	1
1261	1	100	ILE	HA	H	3.538	0.030	1
1262	1	100	ILE	HB	H	1.872	0.030	1
1263	1	100	ILE	HG12	H	1.891	0.030	2
1264	1	100	ILE	HG13	H	0.796	0.030	2
1265	1	100	ILE	HG21	H	0.880	0.030	1
1266	1	100	ILE	HG22	H	0.880	0.030	1
1267	1	100	ILE	HG23	H	0.880	0.030	1
1268	1	100	ILE	HD11	H	0.741	0.030	1
1269	1	100	ILE	HD12	H	0.741	0.030	1
1270	1	100	ILE	HD13	H	0.741	0.030	1
1271	1	100	ILE	C	C	176.904	0.450	1
1272	1	100	ILE	CA	C	64.809	0.450	1
1273	1	100	ILE	CB	C	38.401	0.450	1
1274	1	100	ILE	CG1	C	29.401	0.450	1
1275	1	100	ILE	CG2	C	18.226	0.450	1
1276	1	100	ILE	CD1	C	14.870	0.450	1
1277	1	100	ILE	N	N	120.702	0.450	1
1278	1	101	ASP	H	H	7.671	0.030	1
1279	1	101	ASP	HA	H	4.557	0.030	1
1280	1	101	ASP	HB2	H	2.714	0.030	2
1281	1	101	ASP	HB3	H	2.714	0.030	2
1282	1	101	ASP	C	C	176.868	0.450	1
1283	1	101	ASP	CA	C	55.746	0.450	1
1284	1	101	ASP	CB	C	40.830	0.450	1
1285	1	101	ASP	N	N	118.048	0.450	1
1286	1	102	LYS	H	H	7.404	0.030	1
1287	1	102	LYS	HA	H	4.219	0.030	1
1288	1	102	LYS	HB2	H	1.933	0.030	2
1289	1	102	LYS	HB3	H	1.860	0.030	2
1290	1	102	LYS	HG2	H	1.602	0.030	2
1291	1	102	LYS	HG3	H	1.602	0.030	2
1292	1	102	LYS	HD2	H	1.720	0.030	2
1293	1	102	LYS	HD3	H	1.720	0.030	2
1294	1	102	LYS	HE2	H	2.943	0.030	2
1295	1	102	LYS	HE3	H	2.943	0.030	2
1296	1	102	LYS	C	C	176.979	0.450	1
1297	1	102	LYS	CA	C	57.296	0.450	1
1298	1	102	LYS	CB	C	33.049	0.450	1
1299	1	102	LYS	CG	C	25.032	0.450	1
1300	1	102	LYS	CD	C	29.272	0.450	1
1301	1	102	LYS	CE	C	42.049	0.450	1
1302	1	102	LYS	N	N	117.824	0.450	1
1303	1	103	LYS	H	H	7.913	0.030	1
1304	1	103	LYS	HA	H	4.316	0.030	1
1305	1	103	LYS	HB2	H	1.787	0.030	2
1306	1	103	LYS	HB3	H	1.738	0.030	2
1307	1	103	LYS	HG2	H	1.270	0.030	2
1308	1	103	LYS	HG3	H	1.163	0.030	2
1309	1	103	LYS	HD2	H	1.483	0.030	2
1310	1	103	LYS	HD3	H	1.483	0.030	2
1311	1	103	LYS	HE2	H	2.797	0.030	2
1312	1	103	LYS	HE3	H	2.797	0.030	2
1313	1	103	LYS	C	C	175.451	0.450	1
1314	1	103	LYS	CA	C	55.865	0.450	1
1315	1	103	LYS	CB	C	32.902	0.450	1
1316	1	103	LYS	CG	C	24.262	0.450	1
1317	1	103	LYS	CD	C	28.293	0.450	1
1318	1	103	LYS	CE	C	42.072	0.450	1
1319	1	103	LYS	N	N	119.937	0.450	1
1320	1	104	VAL	H	H	7.442	0.030	1
1321	1	104	VAL	HA	H	4.063	0.030	1
1322	1	104	VAL	HB	H	2.127	0.030	1
1323	1	104	VAL	HG11	H	0.895	0.030	2
1324	1	104	VAL	HG12	H	0.895	0.030	2
1325	1	104	VAL	HG13	H	0.895	0.030	2
1326	1	104	VAL	HG21	H	0.894	0.030	2
1327	1	104	VAL	HG22	H	0.894	0.030	2
1328	1	104	VAL	HG23	H	0.894	0.030	2
1329	1	104	VAL	C	C	180.589	0.450	1
1330	1	104	VAL	CA	C	63.427	0.450	1
1331	1	104	VAL	CB	C	33.225	0.450	1
1332	1	104	VAL	CG1	C	21.745	0.450	1
1333	1	104	VAL	CG2	C	20.190	0.450	1
1334	1	104	VAL	N	N	123.236	0.450	1

Release date

2021-12-28

Citation

From Protein Design to the Energy Landscape of a Cold Unfolding Protein
Pulavarti, S., Maguire, J.B., Yuen, S., Harrison, J.S., Griffin, J., Premkumar, L., Esposito, E.A., Makhatadze, G.I., Garcia, A.E., Weiss, T.M., Snell, E.H., Kuhlman, B., Szyperski, T.
J. Phys. Chem. B (2022), 126, 1212-1231, PubMed 35128921 , DOI 10.1021/acs.jpcb.1c10750 , Abstract