BMRB: 52150

Solution structure of thioredoxin from Pisum sativum

Authors

Neira, J.

Assembly

Thioredoxin

Entity

1. Thioredoxin (polymer, Thiol state: all free), 108 monomers, 11979.64 Da Detail

AVNEVQVVND SSWDELVIGS ETPVLVDFWA PWCGPCRMIA PIIDELAKEY AGKIKCYKLN TDESPNTATK YGIRSIPTVL FFKNGEKKDS VIGAVPKATL SEKVEKYI

Formula weight

11979.64 Da

Source organism

Pisum sativum

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 723, ¹³C: 304, ¹⁵N: 112 assignments Detail

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• BMRB/XML (partial)
• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	ALA	H	H	8.48	0.01	1
2	1	1	ALA	HA	H	4.53	0.01	1
3	1	1	ALA	HB1	H	1.48	0.01	1
4	1	1	ALA	HB2	H	1.48	0.01	1
5	1	1	ALA	HB3	H	1.48	0.01	1
6	1	1	ALA	C	C	177.53	0.01	1
7	1	1	ALA	CA	C	52.01	0.01	1
8	1	1	ALA	CB	C	18.91	0.01	1
9	1	1	ALA	N	N	126.22	0.01	1
10	1	2	VAL	H	H	8.26	0.01	1
11	1	2	VAL	HA	H	4.73	0.01	1
12	1	2	VAL	HB	H	2.25	0.01	1
13	1	2	VAL	HG11	H	1.18	0.01	2
14	1	2	VAL	HG12	H	1.18	0.01	2
15	1	2	VAL	HG13	H	1.18	0.01	2
16	1	2	VAL	HG21	H	0.74	0.01	2
17	1	2	VAL	HG22	H	0.74	0.01	2
18	1	2	VAL	HG23	H	0.74	0.01	2
19	1	2	VAL	C	C	175.64	0.01	1
20	1	2	VAL	CA	C	62.71	0.01	1
21	1	2	VAL	CB	C	33.1	0.01	1
22	1	2	VAL	N	N	119.03	0.01	1
23	1	3	ASN	H	H	8.57	0.01	1
24	1	3	ASN	HA	H	4.90	0.01	1
25	1	3	ASN	HB2	H	2.85	0.01	2
26	1	3	ASN	HB3	H	2.97	0.01	2
27	1	3	ASN	HD21	H	6.96	0.01	2
28	1	3	ASN	HD22	H	7.72	0.01	2
29	1	3	ASN	C	C	179.01	0.01	1
30	1	3	ASN	CA	C	54.30	0.01	1
31	1	3	ASN	CB	C	35.01	0.01	1
32	1	3	ASN	N	N	124.47	0.01	1
33	1	3	ASN	ND2	N	111.95	0.01	1
34	1	4	GLU	H	H	7.88	0.01	1
35	1	4	GLU	HA	H	4.49	0.01	1
36	1	4	GLU	HB2	H	2.05	0.01	2
37	1	4	GLU	HB3	H	1.95	0.01	2
38	1	4	GLU	HG2	H	2.22	0.01	2
39	1	4	GLU	HG3	H	2.54	0.01	2
40	1	4	GLU	C	C	175.91	0.01	1
41	1	4	GLU	CA	C	55.51	0.01	1
42	1	4	GLU	CB	C	32.10	0.01	1
43	1	4	GLU	N	N	117.46	0.01	1
44	1	5	VAL	H	H	8.60	0.01	1
45	1	5	VAL	HA	H	3.94	0.01	1
46	1	5	VAL	HB	H	1.86	0.01	1
47	1	5	VAL	HG11	H	0.72	0.01	2
48	1	5	VAL	HG12	H	0.72	0.01	2
49	1	5	VAL	HG13	H	0.72	0.01	2
50	1	5	VAL	HG21	H	0.93	0.01	2
51	1	5	VAL	HG22	H	0.93	0.01	2
52	1	5	VAL	HG23	H	0.93	0.01	2
53	1	5	VAL	C	C	175.91	0.01	1
54	1	5	VAL	CA	C	62.50	0.01	1
55	1	5	VAL	CB	C	31.61	0.01	1
56	1	5	VAL	N	N	123.72	0.01	1
57	1	6	GLN	H	H	8.14	0.01	1
58	1	6	GLN	HA	H	4.78	0.01	1
59	1	6	GLN	HB2	H	2.06	0.01	2
60	1	6	GLN	HB3	H	2.53	0.01	2
61	1	6	GLN	HG2	H	2.36	0.01	2
62	1	6	GLN	HG3	H	2.45	0.01	2
63	1	6	GLN	C	C	175.10	0.01	1
64	1	6	GLN	CA	C	55.10	0.01	1
65	1	6	GLN	N	N	126.53	0.01	1
66	1	7	VAL	H	H	8.54	0.01	1
67	1	7	VAL	HA	H	4.51	0.01	1
68	1	7	VAL	HB	H	2.17	0.01	1
69	1	7	VAL	HG11	H	1.15	0.01	2
70	1	7	VAL	HG12	H	1.15	0.01	2
71	1	7	VAL	HG13	H	1.15	0.01	2
72	1	7	VAL	HG21	H	1.25	0.01	2
73	1	7	VAL	HG22	H	1.25	0.01	2
74	1	7	VAL	HG23	H	1.25	0.01	2
75	1	7	VAL	C	C	175.59	0.01	1
76	1	7	VAL	CA	C	63.12	0.01	1
77	1	7	VAL	CB	C	33.4	0.01	1
78	1	7	VAL	N	N	121.47	0.01	1
79	1	8	VAL	H	H	8.59	0.01	1
80	1	8	VAL	HA	H	4.53	0.01	1
81	1	8	VAL	HB	H	1.55	0.01	1
82	1	8	VAL	HG11	H	0.88	0.01	2
83	1	8	VAL	HG12	H	0.88	0.01	2
84	1	8	VAL	HG13	H	0.88	0.01	2
85	1	8	VAL	HG21	H	1.06	0.01	2
86	1	8	VAL	HG22	H	1.06	0.01	2
87	1	8	VAL	HG23	H	1.06	0.01	2
88	1	8	VAL	C	C	171.54	0.01	1
89	1	8	VAL	CA	C	58.9	0.01	1
90	1	8	VAL	CB	C	34.9	0.01	1
91	1	8	VAL	N	N	124.03	0.01	1
92	1	9	ASN	H	H	7.78	0.01	1
93	1	9	ASN	HA	H	5.23	0.01	1
94	1	9	ASN	HB2	H	2.82	0.01	2
95	1	9	ASN	HB3	H	3.54	0.01	2
96	1	9	ASN	HD21	H	7.02	0.01	2
97	1	9	ASN	HD22	H	7.68	0.01	2
98	1	9	ASN	C	C	175.26	0.01	1
99	1	9	ASN	CA	C	52.10	0.01	1
100	1	9	ASN	CB	C	40.2	0.01	1
101	1	9	ASN	N	N	123.10	0.01	1
102	1	9	ASN	ND2	N	111.6	0.01	1
103	1	10	ASP	H	H	8.16	0.01	1
104	1	10	ASP	HA	H	4.65	0.01	1
105	1	10	ASP	HB2	H	2.80	0.01	2
106	1	10	ASP	HB3	H	2.94	0.01	2
107	1	10	ASP	C	C	178.70	0.01	1
108	1	10	ASP	CA	C	57.88	0.01	1
109	1	10	ASP	CB	C	40.83	0.01	1
110	1	10	ASP	N	N	115.59	0.01	1
111	1	11	SER	H	H	8.41	0.01	1
112	1	11	SER	HA	H	4.46	0.01	1
113	1	11	SER	HB2	H	4.02	0.01	2
114	1	11	SER	HB3	H	4.12	0.01	2
115	1	11	SER	C	C	175.32	0.01	1
116	1	11	SER	CA	C	60.41	0.01	1
117	1	11	SER	CB	C	63.21	0.01	1
118	1	11	SER	N	N	113.19	0.01	1
119	1	12	SER	H	H	8.17	0.01	1
120	1	12	SER	HA	H	4.92	0.01	1
121	1	12	SER	HB2	H	3.90	0.01	2
122	1	12	SER	HB3	H	4.29	0.01	2
123	1	12	SER	C	C	174.45	0.01	1
124	1	12	SER	CA	C	60.21	0.01	1
125	1	12	SER	CB	C	64.56	0.01	1
126	1	12	SER	N	N	115.04	0.01	1
127	1	13	TRP	H	H	7.83	0.01	1
128	1	13	TRP	HA	H	3.73	0.01	1
129	1	13	TRP	HB2	H	3.16	0.01	2
130	1	13	TRP	HB3	H	3.62	0.01	2
131	1	13	TRP	HD1	H	7.22	0.01	1
132	1	13	TRP	HE1	H	9.22	0.01	1
133	1	13	TRP	HE3	H	6.72	0.01	1
134	1	13	TRP	HZ2	H	6.86	0.01	1
135	1	13	TRP	HZ3	H	6.57	0.01	1
136	1	13	TRP	HH2	H	6.61	0.01	1
137	1	13	TRP	C	C	177.48	0.01	1
138	1	13	TRP	CA	C	61.3	0.01	1
139	1	13	TRP	CB	C	29.5	0.01	1
140	1	13	TRP	N	N	124.34	0.01	1
141	1	13	TRP	NE1	N	126.15	0.01	1
142	1	14	ASP	H	H	8.87	0.01	1
143	1	14	ASP	HA	H	4.38	0.01	1
144	1	14	ASP	HB2	H	2.62	0.01	2
145	1	14	ASP	HB3	H	2.79	0.01	2
146	1	14	ASP	C	C	176.57	0.01	1
147	1	14	ASP	CA	C	57.77	0.01	1
148	1	14	ASP	CB	C	39.54	0.01	1
149	1	14	ASP	N	N	118.50	0.01	1
150	1	15	GLU	H	H	8.22	0.01	1
151	1	15	GLU	HA	H	4.28	0.01	1
152	1	15	GLU	HB2	H	1.96	0.01	2
153	1	15	GLU	HB3	H	2.11	0.01	2
154	1	15	GLU	HG2	H	1.90	0.01	2
155	1	15	GLU	HG3	H	2.31	0.01	2
156	1	15	GLU	C	C	177.69	0.01	1
157	1	15	GLU	CA	C	58.60	0.01	1
158	1	15	GLU	CB	C	30.10	0.01	1
159	1	15	GLU	N	N	120.59	0.01	1
160	1	16	LEU	H	H	8.05	0.01	1
161	1	16	LEU	HA	H	4.04	0.01	1
162	1	16	LEU	HB2	H	1.82	0.01	2
163	1	16	LEU	HB3	H	1.95	0.01	2
164	1	16	LEU	HG	H	1.54	0.01	1
165	1	16	LEU	HD11	H	0.83	0.01	2
166	1	16	LEU	HD12	H	0.83	0.01	2
167	1	16	LEU	HD13	H	0.83	0.01	2
168	1	16	LEU	HD21	H	1.20	0.01	2
169	1	16	LEU	HD22	H	1.20	0.01	2
170	1	16	LEU	HD23	H	1.20	0.01	2
171	1	16	LEU	C	C	177.15	0.01	1
172	1	16	LEU	CA	C	56.2	0.01	1
173	1	16	LEU	CB	C	40.60	0.01	1
174	1	16	LEU	N	N	114.97	0.01	1
175	1	17	VAL	H	H	7.74	0.01	1
176	1	17	VAL	HA	H	3.61	0.01	1
177	1	17	VAL	HB	H	0.21	0.01	1
178	1	17	VAL	HG11	H	-0.80	0.01	2
179	1	17	VAL	HG12	H	-0.80	0.01	2
180	1	17	VAL	HG13	H	-0.80	0.01	2
181	1	17	VAL	HG21	H	-0.52	0.01	2
182	1	17	VAL	HG22	H	-0.52	0.01	2
183	1	17	VAL	HG23	H	-0.52	0.01	2
184	1	17	VAL	C	C	176.91	0.01	1
185	1	17	VAL	CA	C	63.40	0.01	1
186	1	17	VAL	CB	C	30.80	0.01	1
187	1	17	VAL	N	N	115.53	0.01	1
188	1	18	ILE	H	H	6.58	0.01	1
189	1	18	ILE	HA	H	3.49	0.01	1
190	1	18	ILE	HB	H	2.56	0.01	1
191	1	18	ILE	HG12	H	1.48	0.01	2
192	1	18	ILE	HG13	H	1.67	0.01	2
193	1	18	ILE	HG21	H	0.89	0.01	1
194	1	18	ILE	HG22	H	0.89	0.01	1
195	1	18	ILE	HG23	H	0.89	0.01	1
196	1	18	ILE	HD11	H	1.08	0.01	1
197	1	18	ILE	HD12	H	1.08	0.01	1
198	1	18	ILE	HD13	H	1.08	0.01	1
199	1	18	ILE	C	C	177.75	0.01	1
200	1	18	ILE	CA	C	62.05	0.01	1
201	1	18	ILE	CB	C	34.20	0.01	1
202	1	18	ILE	N	N	118.02	0.01	1
203	1	19	GLY	H	H	7.51	0.01	1
204	1	19	GLY	HA2	H	3.73	0.01	2
205	1	19	GLY	HA3	H	4.21	0.01	2
206	1	19	GLY	C	C	174.22	0.01	1
207	1	19	GLY	CA	C	44.70	0.01	1
208	1	19	GLY	N	N	102.78	0.01	1
209	1	20	SER	H	H	6.48	0.01	1
210	1	20	SER	HA	H	4.31	0.01	1
211	1	20	SER	HB2	H	3.87	0.01	2
212	1	20	SER	HB3	H	3.95	0.01	2
213	1	20	SER	C	C	176.87	0.01	1
214	1	20	SER	CA	C	57.75	0.01	1
215	1	20	SER	CB	C	63.85	0.01	1
216	1	20	SER	N	N	111.21	0.01	1
217	1	21	GLU	H	H	9.43	0.01	1
218	1	21	GLU	HA	H	4.54	0.01	1
219	1	21	GLU	HB2	H	2.21	0.01	2
220	1	21	GLU	HB3	H	2.34	0.01	2
221	1	21	GLU	HG2	H	2.43	0.01	2
222	1	21	GLU	HG3	H	2.54	0.01	2
223	1	21	GLU	C	C	176.72	0.01	1
224	1	21	GLU	CA	C	57.50	0.01	1
225	1	21	GLU	CB	C	29.60	0.01	1
226	1	21	GLU	N	N	129.61	0.01	1
227	1	22	THR	H	H	7.78	0.01	1
228	1	22	THR	HA	H	4.97	0.01	1
229	1	22	THR	HB	H	4.29	0.01	1
230	1	22	THR	HG21	H	1.35	0.01	1
231	1	22	THR	HG22	H	1.35	0.01	1
232	1	22	THR	HG23	H	1.35	0.01	1
233	1	22	THR	CA	C	59.8	0.01	1
234	1	22	THR	CB	C	70.1	0.01	1
235	1	22	THR	N	N	113.27	0.01	1
236	1	23	PRO	HA	H	5.03	0.01	1
237	1	23	PRO	HB2	H	2.53	0.01	2
238	1	23	PRO	HB3	H	2.45	0.01	2
239	1	23	PRO	HG2	H	2.69	0.01	2
240	1	23	PRO	HG3	H	2.86	0.01	2
241	1	23	PRO	HD2	H	4.14	0.01	2
242	1	23	PRO	HD3	H	4.33	0.01	2
243	1	23	PRO	C	C	174.77	0.01	1
244	1	23	PRO	CA	C	63.80	0.01	1
245	1	23	PRO	CB	C	31.60	0.01	1
246	1	23	PRO	N	N	137.37	0.01	1
247	1	24	VAL	H	H	8.95	0.01	1
248	1	24	VAL	HA	H	5.27	0.01	1
249	1	24	VAL	HB	H	1.99	0.01	1
250	1	24	VAL	HG11	H	1.05	0.01	2
251	1	24	VAL	HG12	H	1.05	0.01	2
252	1	24	VAL	HG13	H	1.05	0.01	2
253	1	24	VAL	HG21	H	1.26	0.01	2
254	1	24	VAL	HG22	H	1.26	0.01	2
255	1	24	VAL	HG23	H	1.26	0.01	2
256	1	24	VAL	C	C	174.22	0.01	1
257	1	24	VAL	CA	C	60.10	0.01	1
258	1	24	VAL	CB	C	36.90	0.01	1
259	1	24	VAL	N	N	120.88	0.01	1
260	1	25	LEU	H	H	9.08	0.01	1
261	1	25	LEU	HA	H	5.03	0.01	1
262	1	25	LEU	HB2	H	1.64	0.01	2
263	1	25	LEU	HB3	H	1.72	0.01	2
264	1	25	LEU	HG	H	1.33	0.01	1
265	1	25	LEU	HD11	H	1.16	0.01	2
266	1	25	LEU	HD12	H	1.16	0.01	2
267	1	25	LEU	HD13	H	1.16	0.01	2
268	1	25	LEU	HD21	H	1.31	0.01	2
269	1	25	LEU	HD22	H	1.31	0.01	2
270	1	25	LEU	HD23	H	1.31	0.01	2
271	1	25	LEU	C	C	175.64	0.01	1
272	1	25	LEU	CA	C	56.63	0.01	1
273	1	25	LEU	CB	C	39.40	0.01	1
274	1	25	LEU	N	N	128.48	0.01	1
275	1	26	VAL	H	H	9.27	0.01	1
276	1	26	VAL	HA	H	4.94	0.01	1
277	1	26	VAL	HB	H	2.21	0.01	1
278	1	26	VAL	HG11	H	0.52	0.01	2
279	1	26	VAL	HG12	H	0.52	0.01	2
280	1	26	VAL	HG13	H	0.52	0.01	2
281	1	26	VAL	HG21	H	0.80	0.01	2
282	1	26	VAL	HG22	H	0.80	0.01	2
283	1	26	VAL	HG23	H	0.80	0.01	2
284	1	26	VAL	C	C	174.17	0.01	1
285	1	26	VAL	CA	C	60.50	0.01	1
286	1	26	VAL	CB	C	34.70	0.01	1
287	1	26	VAL	N	N	122.39	0.01	1
288	1	27	ASP	H	H	9.16	0.01	1
289	1	27	ASP	HA	H	5.27	0.01	1
290	1	27	ASP	HB2	H	2.42	0.01	2
291	1	27	ASP	HB3	H	3.00	0.01	2
292	1	27	ASP	C	C	174.17	0.01	1
293	1	27	ASP	CA	C	52.01	0.01	1
294	1	27	ASP	CB	C	39.43	0.01	1
295	1	27	ASP	N	N	126.22	0.01	1
296	1	28	PHE	H	H	9.77	0.01	1
297	1	28	PHE	HA	H	5.52	0.01	1
298	1	28	PHE	HB2	H	2.72	0.01	2
299	1	28	PHE	HB3	H	3.70	0.01	2
300	1	28	PHE	HD1	H	7.44	0.01	3
301	1	28	PHE	HD2	H	7.44	0.01	3
302	1	28	PHE	HE1	H	7.05	0.01	3
303	1	28	PHE	HE2	H	7.05	0.01	3
304	1	28	PHE	HZ	H	7.19	0.01	1
305	1	28	PHE	C	C	173.95	0.01	1
306	1	28	PHE	CA	C	57.40	0.01	1
307	1	28	PHE	CB	C	44.70	0.01	1
308	1	28	PHE	N	N	129.06	0.01	1
309	1	29	TRP	H	H	9.28	0.01	1
310	1	29	TRP	HA	H	5.21	0.01	1
311	1	29	TRP	HB2	H	3.07	0.01	2
312	1	29	TRP	HB3	H	3.16	0.01	2
313	1	29	TRP	HD1	H	7.37	0.01	1
314	1	29	TRP	HE1	H	10.46	0.01	1
315	1	29	TRP	HE3	H	6.95	0.01	1
316	1	29	TRP	HZ2	H	7.63	0.01	1
317	1	29	TRP	HZ3	H	7.16	0.01	1
318	1	29	TRP	HH2	H	7.36	0.01	1
319	1	29	TRP	C	C	170.73	0.01	1
320	1	29	TRP	CA	C	54.92	0.01	1
321	1	29	TRP	CB	C	32.80	0.01	1
322	1	29	TRP	N	N	122.39	0.01	1
323	1	29	TRP	NE1	N	129.89	0.01	1
324	1	30	ALA	H	H	6.52	0.01	1
325	1	30	ALA	HA	H	3.40	0.01	1
326	1	30	ALA	HB1	H	0.47	0.01	1
327	1	30	ALA	HB2	H	0.47	0.01	1
328	1	30	ALA	HB3	H	0.47	0.01	1
329	1	30	ALA	N	N	115.90	0.01	1
330	1	31	PRO	HA	H	4.49	0.01	1
331	1	31	PRO	HB2	H	2.07	0.01	2
332	1	31	PRO	HB3	H	2.20	0.01	2
333	1	31	PRO	HG2	H	2.39	0.01	2
334	1	31	PRO	HG3	H	2.68	0.01	2
335	1	31	PRO	HD2	H	3.24	0.01	2
336	1	31	PRO	HD3	H	3.53	0.01	2
337	1	31	PRO	C	C	175.77	0.01	1
338	1	31	PRO	CA	C	65.80	0.01	1
339	1	31	PRO	CB	C	32.05	0.01	1
340	1	31	PRO	N	N	135.90	0.01	1
341	1	32	TRP	H	H	6.48	0.01	1
342	1	32	TRP	HA	H	4.88	0.01	1
343	1	32	TRP	HB2	H	3.32	0.01	2
344	1	32	TRP	HB3	H	3.78	0.01	2
345	1	32	TRP	HD1	H	7.51	0.01	1
346	1	32	TRP	HE1	H	11.58	0.01	1
347	1	32	TRP	HE3	H	7.49	0.01	1
348	1	32	TRP	HZ2	H	7.59	0.01	1
349	1	32	TRP	HZ3	H	7.24	0.01	1
350	1	32	TRP	HH2	H	7.34	0.01	1
351	1	32	TRP	C	C	175.96	0.01	1
352	1	32	TRP	CA	C	53.31	0.01	1
353	1	32	TRP	CB	C	28.72	0.01	1
354	1	32	TRP	N	N	111.21	0.01	1
355	1	32	TRP	NE1	N	135.98	0.01	1
356	1	33	CYS	H	H	7.05	0.01	1
357	1	33	CYS	HA	H	4.70	0.01	1
358	1	33	CYS	HB2	H	2.91	0.01	2
359	1	33	CYS	HB3	H	3.23	0.01	2
360	1	33	CYS	CA	C	53.40	0.01	1
361	1	33	CYS	CB	C	44.90	0.01	1
362	1	33	CYS	N	N	120.59	0.01	1
363	1	34	GLY	H	H	9.80	0.01	1
364	1	34	GLY	HA2	H	4.16	0.01	2
365	1	34	GLY	HA3	H	4.42	0.01	2
366	1	35	PRO	HA	H	4.63	0.01	1
367	1	35	PRO	HB2	H	1.93	0.01	2
368	1	35	PRO	HG2	H	2.44	0.01	2
369	1	35	PRO	HG3	H	2.46	0.01	2
370	1	35	PRO	HD2	H	4.21	0.01	2
371	1	35	PRO	HD3	H	3.99	0.01	2
372	1	35	PRO	C	C	178.09	0.01	1
373	1	35	PRO	CA	C	64.30	0.01	1
374	1	35	PRO	CB	C	31.40	0.01	1
375	1	35	PRO	N	N	138.80	0.01	1
376	1	36	CYS	H	H	8.27	0.01	1
377	1	36	CYS	HA	H	4.55	0.01	1
378	1	36	CYS	HB2	H	3.59	0.01	2
379	1	36	CYS	HB3	H	4.10	0.01	2
380	1	36	CYS	C	C	177.76	0.01	1
381	1	36	CYS	CA	C	58.60	0.01	1
382	1	36	CYS	CB	C	35.2	0.01	1
383	1	36	CYS	N	N	111.21	0.01	1
384	1	37	ARG	H	H	8.17	0.01	1
385	1	37	ARG	HA	H	3.88	0.01	1
386	1	37	ARG	HB2	H	1.70	0.01	2
387	1	37	ARG	HB3	H	2.18	0.01	2
388	1	37	ARG	HG2	H	1.30	0.01	2
389	1	37	ARG	HG3	H	1.60	0.01	2
390	1	37	ARG	C	C	178.14	0.01	1
391	1	37	ARG	CA	C	58.40	0.01	1
392	1	37	ARG	CB	C	29.70	0.01	1
393	1	37	ARG	N	N	114.96	0.01	1
394	1	38	MET	H	H	7.51	0.01	1
395	1	38	MET	HA	H	4.12	0.01	1
396	1	38	MET	HB2	H	2.37	0.01	2
397	1	38	MET	HB3	H	2.83	0.01	2
398	1	38	MET	HG2	H	2.36	0.01	2
399	1	38	MET	HG3	H	2.79	0.01	2
400	1	38	MET	HE1	H	2.06	0.01	1
401	1	38	MET	HE2	H	2.06	0.01	1
402	1	38	MET	HE3	H	2.06	0.01	1
403	1	38	MET	C	C	177.92	0.01	1
404	1	38	MET	CA	C	57.30	0.01	1
405	1	38	MET	CB	C	31.92	0.01	1
406	1	38	MET	N	N	114.96	0.01	1
407	1	39	ILE	H	H	7.23	0.01	1
408	1	39	ILE	HA	H	4.53	0.01	1
409	1	39	ILE	HB	H	2.16	0.01	1
410	1	39	ILE	HG12	H	1.54	0.01	2
411	1	39	ILE	HG13	H	1.22	0.01	2
412	1	39	ILE	HG21	H	0.84	0.01	1
413	1	39	ILE	HG22	H	0.84	0.01	1
414	1	39	ILE	HG23	H	0.84	0.01	1
415	1	39	ILE	HD11	H	1.07	0.01	1
416	1	39	ILE	HD12	H	1.07	0.01	1
417	1	39	ILE	HD13	H	1.07	0.01	1
418	1	39	ILE	C	C	176.83	0.01	1
419	1	39	ILE	CA	C	60.61	0.01	1
420	1	39	ILE	CB	C	39.02	0.01	1
421	1	39	ILE	N	N	113.42	0.01	1
422	1	40	ALA	H	H	7.37	0.01	1
423	1	40	ALA	HA	H	4.03	0.01	1
424	1	40	ALA	HB1	H	1.46	0.01	1
425	1	40	ALA	HB2	H	1.46	0.01	1
426	1	40	ALA	HB3	H	1.46	0.01	1
427	1	40	ALA	CA	C	57.02	0.01	1
428	1	40	ALA	CB	C	15.43	0.01	1
429	1	40	ALA	N	N	125.28	0.01	1
430	1	41	PRO	HA	H	4.61	0.01	1
431	1	41	PRO	HB2	H	1.87	0.01	2
432	1	41	PRO	HB3	H	2.03	0.01	2
433	1	41	PRO	HG2	H	2.48	0.01	2
434	1	41	PRO	HD2	H	3.79	0.01	2
435	1	41	PRO	HD3	H	3.88	0.01	2
436	1	41	PRO	C	C	179.39	0.01	1
437	1	41	PRO	CA	C	64.83	0.01	1
438	1	41	PRO	CB	C	30.81	0.01	1
439	1	41	PRO	N	N	134.60	0.01	1
440	1	42	ILE	H	H	7.16	0.01	1
441	1	42	ILE	HA	H	3.91	0.01	1
442	1	42	ILE	HB	H	2.21	0.01	1
443	1	42	ILE	HG12	H	1.32	0.01	2
444	1	42	ILE	HG13	H	1.44	0.01	2
445	1	42	ILE	HG21	H	1.07	0.01	1
446	1	42	ILE	HG22	H	1.07	0.01	1
447	1	42	ILE	HG23	H	1.07	0.01	1
448	1	42	ILE	HD11	H	0.97	0.01	1
449	1	42	ILE	HD12	H	0.97	0.01	1
450	1	42	ILE	HD13	H	0.97	0.01	1
451	1	42	ILE	C	C	178.03	0.01	1
452	1	42	ILE	CA	C	64.30	0.01	1
453	1	42	ILE	CB	C	37.52	0.01	1
454	1	42	ILE	N	N	117.70	0.01	1
455	1	43	ILE	H	H	7.84	0.01	1
456	1	43	ILE	HA	H	3.71	0.01	1
457	1	43	ILE	HB	H	2.28	0.01	1
458	1	43	ILE	HG12	H	1.30	0.01	2
459	1	43	ILE	HG13	H	1.76	0.01	2
460	1	43	ILE	HG21	H	0.72	0.01	1
461	1	43	ILE	HG22	H	0.72	0.01	1
462	1	43	ILE	HG23	H	0.72	0.01	1
463	1	43	ILE	HD11	H	0.91	0.01	1
464	1	43	ILE	HD12	H	0.91	0.01	1
465	1	43	ILE	HD13	H	0.91	0.01	1
466	1	43	ILE	C	C	177.54	0.01	1
467	1	43	ILE	CA	C	62.70	0.01	1
468	1	43	ILE	CB	C	34.30	0.01	1
469	1	43	ILE	N	N	119.18	0.01	1
470	1	44	ASP	H	H	7.52	0.01	1
471	1	44	ASP	HA	H	4.34	0.01	1
472	1	44	ASP	HB2	H	2.71	0.01	2
473	1	44	ASP	HB3	H	2.86	0.01	2
474	1	44	ASP	C	C	178.08	0.01	1
475	1	44	ASP	CA	C	57.50	0.01	1
476	1	44	ASP	CB	C	40.40	0.01	1
477	1	44	ASP	N	N	118.50	0.01	1
478	1	45	GLU	H	H	7.79	0.01	1
479	1	45	GLU	HA	H	4.13	0.01	1
480	1	45	GLU	HB2	H	2.00	0.01	2
481	1	45	GLU	HB3	H	2.17	0.01	2
482	1	45	GLU	HG2	H	2.35	0.01	2
483	1	45	GLU	HG3	H	2.71	0.01	2
484	1	45	GLU	C	C	179.39	0.01	1
485	1	45	GLU	CA	C	58.80	0.01	1
486	1	45	GLU	CB	C	29.54	0.01	1
487	1	45	GLU	N	N	119.18	0.01	1
488	1	46	LEU	H	H	8.64	0.01	1
489	1	46	LEU	HA	H	4.23	0.01	1
490	1	46	LEU	HB2	H	1.89	0.01	2
491	1	46	LEU	HB3	H	2.06	0.01	2
492	1	46	LEU	HG	H	1.39	0.01	1
493	1	46	LEU	HD11	H	0.89	0.01	2
494	1	46	LEU	HD12	H	0.89	0.01	2
495	1	46	LEU	HD13	H	0.89	0.01	2
496	1	46	LEU	HD21	H	1.07	0.01	2
497	1	46	LEU	HD22	H	1.07	0.01	2
498	1	46	LEU	HD23	H	1.07	0.01	2
499	1	46	LEU	C	C	175.85	0.01	1
500	1	46	LEU	CA	C	54.30	0.01	1
501	1	46	LEU	CB	C	41.50	0.01	1
502	1	46	LEU	N	N	120.47	0.01	1
503	1	47	ALA	H	H	8.52	0.01	1
504	1	47	ALA	HA	H	4.10	0.01	1
505	1	47	ALA	HB1	H	1.45	0.01	1
506	1	47	ALA	HB2	H	1.45	0.01	1
507	1	47	ALA	HB3	H	1.45	0.01	1
508	1	47	ALA	C	C	180.09	0.01	1
509	1	47	ALA	CA	C	54.70	0.01	1
510	1	47	ALA	CB	C	18.60	0.01	1
511	1	47	ALA	N	N	121.34	0.01	1
512	1	48	LYS	H	H	7.28	0.01	1
513	1	48	LYS	HA	H	4.28	0.01	1
514	1	48	LYS	HB2	H	1.98	0.01	2
515	1	48	LYS	HB3	H	2.07	0.01	2
516	1	48	LYS	HG2	H	1.49	0.01	4
517	1	48	LYS	C	C	179.51	0.01	1
518	1	48	LYS	CA	C	58.30	0.01	1
519	1	48	LYS	CB	C	32.60	0.01	1
520	1	48	LYS	N	N	114.93	0.01	1
521	1	49	GLU	H	H	8.67	0.01	1
522	1	49	GLU	HA	H	3.94	0.01	1
523	1	49	GLU	HB2	H	1.73	0.01	2
524	1	49	GLU	HB3	H	2.07	0.01	2
525	1	49	GLU	HG2	H	2.30	0.01	2
526	1	49	GLU	C	C	178.25	0.01	1
527	1	49	GLU	CA	C	58.90	0.01	1
528	1	49	GLU	CB	C	30.05	0.01	1
529	1	49	GLU	N	N	121.08	0.01	1
530	1	50	TYR	H	H	8.27	0.01	1
531	1	50	TYR	HA	H	4.69	0.01	1
532	1	50	TYR	HB2	H	2.70	0.01	2
533	1	50	TYR	HB3	H	3.37	0.01	2
534	1	50	TYR	HD1	H	7.23	0.01	3
535	1	50	TYR	HD2	H	7.23	0.01	3
536	1	50	TYR	HE1	H	6.84	0.01	3
537	1	50	TYR	HE2	H	6.84	0.01	3
538	1	50	TYR	C	C	174.60	0.01	1
539	1	50	TYR	CA	C	57.42	0.01	1
540	1	50	TYR	CB	C	37.46	0.01	1
541	1	50	TYR	N	N	114.47	0.01	1
542	1	51	ALA	H	H	6.94	0.01	1
543	1	51	ALA	HA	H	4.42	0.01	1
544	1	51	ALA	HB1	H	1.62	0.01	1
545	1	51	ALA	HB2	H	1.62	0.01	1
546	1	51	ALA	HB3	H	1.62	0.01	1
547	1	51	ALA	C	C	178.79	0.01	1
548	1	51	ALA	CA	C	54.23	0.01	1
549	1	51	ALA	CB	C	18.51	0.01	1
550	1	51	ALA	N	N	124.50	0.01	1
551	1	52	GLY	H	H	9.30	0.01	1
552	1	52	GLY	HA2	H	3.78	0.01	2
553	1	52	GLY	HA3	H	4.42	0.01	2
554	1	52	GLY	C	C	174.33	0.01	1
555	1	52	GLY	CA	C	45.40	0.01	1
556	1	52	GLY	N	N	112.73	0.01	1
557	1	53	LYS	H	H	8.43	0.01	1
558	1	53	LYS	HA	H	4.69	0.01	1
559	1	53	LYS	HB2	H	2.05	0.01	2
560	1	53	LYS	HB3	H	2.12	0.01	2
561	1	53	LYS	HG2	H	1.43	0.01	2
562	1	53	LYS	HG3	H	1.58	0.01	2
563	1	53	LYS	C	C	175.53	0.01	1
564	1	53	LYS	CA	C	56.52	0.01	1
565	1	53	LYS	CB	C	34.63	0.01	1
566	1	53	LYS	N	N	118.47	0.01	1
567	1	54	ILE	H	H	7.68	0.01	1
568	1	54	ILE	HA	H	4.87	0.01	1
569	1	54	ILE	HB	H	1.71	0.01	1
570	1	54	ILE	HG12	H	1.36	0.01	2
571	1	54	ILE	HG13	H	1.60	0.01	2
572	1	54	ILE	HG21	H	1.04	0.01	1
573	1	54	ILE	HG22	H	1.04	0.01	1
574	1	54	ILE	HG23	H	1.04	0.01	1
575	1	54	ILE	HD11	H	0.81	0.01	1
576	1	54	ILE	HD12	H	0.81	0.01	1
577	1	54	ILE	HD13	H	0.81	0.01	1
578	1	54	ILE	C	C	173.90	0.01	1
579	1	54	ILE	CA	C	58.42	0.01	1
580	1	54	ILE	CB	C	42.15	0.01	1
581	1	54	ILE	N	N	112.46	0.01	1
582	1	55	LYS	H	H	8.29	0.01	1
583	1	55	LYS	HA	H	4.70	0.01	1
584	1	55	LYS	HB2	H	1.73	0.01	2
585	1	55	LYS	HB3	H	1.88	0.01	2
586	1	55	LYS	C	C	174.82	0.01	1
587	1	55	LYS	CA	C	54.52	0.01	1
588	1	55	LYS	CB	C	35.25	0.01	1
589	1	55	LYS	N	N	124.47	0.01	1
590	1	56	CYS	H	H	8.84	0.01	1
591	1	56	CYS	HA	H	5.46	0.01	1
592	1	56	CYS	HB2	H	2.35	0.01	2
593	1	56	CYS	HB3	H	3.02	0.01	2
594	1	56	CYS	C	C	173.19	0.01	1
595	1	56	CYS	CA	C	56.65	0.01	1
596	1	56	CYS	CB	C	30.62	0.01	1
597	1	56	CYS	N	N	119.58	0.01	1
598	1	57	TYR	H	H	9.03	0.01	1
599	1	57	TYR	HA	H	5.80	0.01	1
600	1	57	TYR	HB2	H	2.39	0.01	2
601	1	57	TYR	HB3	H	2.88	0.01	2
602	1	57	TYR	HD1	H	6.72	0.01	3
603	1	57	TYR	HD2	H	6.72	0.01	3
604	1	57	TYR	HE1	H	6.58	0.01	3
605	1	57	TYR	HE2	H	6.58	0.01	3
606	1	57	TYR	C	C	178.35	0.01	1
607	1	57	TYR	CA	C	60.81	0.01	1
608	1	57	TYR	CB	C	44.32	0.01	1
609	1	57	TYR	N	N	120.40	0.01	1
610	1	58	LYS	H	H	8.86	0.01	1
611	1	58	LYS	HA	H	5.49	0.01	1
612	1	58	LYS	HB2	H	1.70	0.01	2
613	1	58	LYS	HB3	H	1.93	0.01	2
614	1	58	LYS	HG2	H	1.32	0.01	2
615	1	58	LYS	HG3	H	1.53	0.01	2
616	1	58	LYS	HD2	H	1.76	0.01	2
617	1	58	LYS	C	C	174.22	0.01	1
618	1	58	LYS	CA	C	53.81	0.01	1
619	1	58	LYS	CB	C	35.25	0.01	1
620	1	58	LYS	N	N	117.73	0.01	1
621	1	59	LEU	H	H	9.07	0.01	1
622	1	59	LEU	HA	H	4.89	0.01	1
623	1	59	LEU	HB2	H	1.70	0.01	2
624	1	59	LEU	HB3	H	1.99	0.01	2
625	1	59	LEU	HG	H	1.46	0.01	1
626	1	59	LEU	HD11	H	0.75	0.01	2
627	1	59	LEU	HD12	H	0.75	0.01	2
628	1	59	LEU	HD13	H	0.75	0.01	2
629	1	59	LEU	HD21	H	0.91	0.01	2
630	1	59	LEU	HD22	H	0.91	0.01	2
631	1	59	LEU	HD23	H	0.91	0.01	2
632	1	59	LEU	C	C	172.81	0.01	1
633	1	59	LEU	CA	C	53.60	0.01	1
634	1	59	LEU	CB	C	43.82	0.01	1
635	1	59	LEU	N	N	128.48	0.01	1
636	1	60	ASN	H	H	9.00	0.01	1
637	1	60	ASN	HA	H	4.35	0.01	1
638	1	60	ASN	HB2	H	2.61	0.01	2
639	1	60	ASN	HB3	H	3.04	0.01	2
640	1	60	ASN	C	C	177.77	0.01	1
641	1	60	ASN	CA	C	50.12	0.01	1
642	1	60	ASN	CB	C	37.60	0.01	1
643	1	60	ASN	N	N	127.10	0.01	1
644	1	61	THR	H	H	9.38	0.01	1
645	1	61	THR	HA	H	3.68	0.01	1
646	1	61	THR	HB	H	4.25	0.01	1
647	1	61	THR	HG21	H	1.43	0.01	1
648	1	61	THR	HG22	H	1.43	0.01	1
649	1	61	THR	HG23	H	1.43	0.01	1
650	1	61	THR	C	C	176.61	0.01	1
651	1	61	THR	CA	C	64.90	0.01	1
652	1	61	THR	CB	C	66.62	0.01	1
653	1	61	THR	N	N	120.02	0.01	1
654	1	62	ASP	H	H	8.10	0.01	1
655	1	62	ASP	HA	H	4.60	0.01	1
656	1	62	ASP	HB2	H	2.75	0.01	2
657	1	62	ASP	HB3	H	2.98	0.01	2
658	1	62	ASP	C	C	177.97	0.01	1
659	1	62	ASP	CA	C	56.32	0.01	1
660	1	62	ASP	CB	C	40.23	0.01	1
661	1	62	ASP	N	N	120.28	0.01	1
662	1	63	GLU	H	H	7.00	0.01	1
663	1	63	GLU	HA	H	4.46	0.01	1
664	1	63	GLU	HB2	H	2.06	0.01	2
665	1	63	GLU	HB3	H	2.39	0.01	2
666	1	63	GLU	HG2	H	2.42	0.01	2
667	1	63	GLU	C	C	176.83	0.01	1
668	1	63	GLU	CA	C	55.82	0.01	1
669	1	63	GLU	CB	C	31.43	0.01	1
670	1	63	GLU	N	N	117.87	0.01	1
671	1	64	SER	H	H	7.87	0.01	1
672	1	64	SER	HA	H	5.11	0.01	1
673	1	64	SER	HB2	H	3.96	0.01	2
674	1	64	SER	HB3	H	4.17	0.01	2
675	1	64	SER	CA	C	56.05	0.01	1
676	1	64	SER	CB	C	64.03	0.01	1
677	1	64	SER	N	N	116.30	0.01	1
678	1	65	PRO	HA	H	4.47	0.01	1
679	1	65	PRO	HB2	H	2.03	0.01	2
680	1	65	PRO	HB3	H	2.16	0.01	2
681	1	65	PRO	HG2	H	2.28	0.01	2
682	1	65	PRO	HG3	H	2.46	0.01	2
683	1	65	PRO	HD2	H	3.30	0.01	2
684	1	65	PRO	HD3	H	3.81	0.01	2
685	1	65	PRO	C	C	180.31	0.01	1
686	1	65	PRO	CA	C	63.70	0.01	1
687	1	65	PRO	CB	C	31.72	0.01	1
688	1	65	PRO	N	N	134.90	0.01	1
689	1	66	ASN	H	H	9.55	0.01	1
690	1	66	ASN	HA	H	4.53	0.01	1
691	1	66	ASN	HB2	H	2.73	0.01	2
692	1	66	ASN	HB3	H	2.85	0.01	2
693	1	66	ASN	C	C	178.95	0.01	1
694	1	66	ASN	CA	C	56.62	0.01	1
695	1	66	ASN	CB	C	37.23	0.01	1
696	1	66	ASN	N	N	121.12	0.01	1
697	1	67	THR	H	H	9.30	0.01	1
698	1	67	THR	HA	H	3.58	0.01	1
699	1	67	THR	HB	H	3.74	0.01	1
700	1	67	THR	HG21	H	0.02	0.01	1
701	1	67	THR	HG22	H	0.02	0.01	1
702	1	67	THR	HG23	H	0.02	0.01	1
703	1	67	THR	C	C	175.85	0.01	1
704	1	67	THR	CA	C	67.4	0.01	1
705	1	67	THR	CB	C	67.4	0.01	1
706	1	67	THR	N	N	121.12	0.01	1
707	1	68	ALA	H	H	7.38	0.01	1
708	1	68	ALA	HA	H	4.02	0.01	1
709	1	68	ALA	HB1	H	1.50	0.01	1
710	1	68	ALA	HB2	H	1.50	0.01	1
711	1	68	ALA	HB3	H	1.50	0.01	1
712	1	68	ALA	C	C	178.95	0.01	1
713	1	68	ALA	CA	C	55.51	0.01	1
714	1	68	ALA	CB	C	17.43	0.01	1
715	1	68	ALA	N	N	122.14	0.01	1
716	1	69	THR	H	H	8.17	0.01	1
717	1	69	THR	HA	H	4.07	0.01	1
718	1	69	THR	HB	H	4.29	0.01	1
719	1	69	THR	HG21	H	1.31	0.01	1
720	1	69	THR	HG22	H	1.31	0.01	1
721	1	69	THR	HG23	H	1.31	0.01	1
722	1	69	THR	C	C	177.97	0.01	1
723	1	69	THR	CA	C	66.32	0.01	1
724	1	69	THR	CB	C	68.82	0.01	1
725	1	69	THR	N	N	113.09	0.01	1
726	1	70	LYS	H	H	8.22	0.01	1
727	1	70	LYS	HA	H	3.90	0.01	1
728	1	70	LYS	HB2	H	1.63	0.01	2
729	1	70	LYS	HB3	H	1.89	0.01	2
730	1	70	LYS	HG2	H	0.60	0.01	2
731	1	70	LYS	HG3	H	1.17	0.01	2
732	1	70	LYS	HD2	H	0.85	0.01	2
733	1	70	LYS	HD3	H	1.51	0.01	2
734	1	70	LYS	C	C	177.80	0.01	1
735	1	70	LYS	CA	C	59.20	0.01	1
736	1	70	LYS	CB	C	32.02	0.01	1
737	1	70	LYS	N	N	124.68	0.01	1
738	1	71	TYR	H	H	7.32	0.01	1
739	1	71	TYR	HA	H	4.56	0.01	1
740	1	71	TYR	HB2	H	2.39	0.01	2
741	1	71	TYR	HB3	H	3.44	0.01	2
742	1	71	TYR	HD1	H	7.06	0.01	3
743	1	71	TYR	HD2	H	7.06	0.01	3
744	1	71	TYR	HE1	H	6.47	0.01	3
745	1	71	TYR	HE2	H	6.47	0.01	3
746	1	71	TYR	C	C	175.05	0.01	1
747	1	71	TYR	CA	C	58.61	0.01	1
748	1	71	TYR	CB	C	37.60	0.01	1
749	1	71	TYR	N	N	112.09	0.01	1
750	1	72	GLY	H	H	7.78	0.01	1
751	1	72	GLY	HA2	H	3.88	0.01	2
752	1	72	GLY	HA3	H	3.98	0.01	2
753	1	72	GLY	C	C	176.67	0.01	1
754	1	72	GLY	CA	C	47.21	0.01	1
755	1	72	GLY	N	N	109.34	0.01	1
756	1	73	ILE	H	H	8.20	0.01	1
757	1	73	ILE	HA	H	4.03	0.01	1
758	1	73	ILE	HB	H	1.98	0.01	1
759	1	73	ILE	HG12	H	0.61	0.01	2
760	1	73	ILE	HG13	H	1.34	0.01	2
761	1	73	ILE	HG21	H	0.13	0.01	1
762	1	73	ILE	HG22	H	0.13	0.01	1
763	1	73	ILE	HG23	H	0.13	0.01	1
764	1	73	ILE	HD11	H	0.73	0.01	1
765	1	73	ILE	HD12	H	0.73	0.01	1
766	1	73	ILE	HD13	H	0.73	0.01	1
767	1	73	ILE	C	C	176.13	0.01	1
768	1	73	ILE	CA	C	59.02	0.01	1
769	1	73	ILE	CB	C	33.82	0.01	1
770	1	73	ILE	N	N	119.46	0.01	1
771	1	74	ARG	H	H	8.40	0.01	1
772	1	74	ARG	HA	H	4.59	0.01	1
773	1	74	ARG	HB2	H	1.86	0.01	2
774	1	74	ARG	HB3	H	2.06	0.01	2
775	1	74	ARG	HG2	H	1.57	0.01	2
776	1	74	ARG	HG3	H	1.69	0.01	2
777	1	74	ARG	C	C	177.21	0.01	1
778	1	74	ARG	CA	C	55.32	0.01	1
779	1	74	ARG	CB	C	31.51	0.01	1
780	1	74	ARG	N	N	128.09	0.01	1
781	1	75	SER	H	H	7.90	0.01	1
782	1	75	SER	HA	H	4.89	0.01	1
783	1	75	SER	HB2	H	3.80	0.01	2
784	1	75	SER	HB3	H	4.08	0.01	2
785	1	75	SER	C	C	172.21	0.01	1
786	1	75	SER	CA	C	57.12	0.01	1
787	1	75	SER	CB	C	64.52	0.01	1
788	1	75	SER	N	N	114.65	0.01	1
789	1	76	ILE	H	H	8.44	0.01	1
790	1	76	ILE	HA	H	4.65	0.01	1
791	1	76	ILE	HB	H	1.93	0.01	1
792	1	76	ILE	HG12	H	1.42	0.01	2
793	1	76	ILE	HG13	H	1.66	0.01	2
794	1	76	ILE	HG21	H	0.81	0.01	1
795	1	76	ILE	HG22	H	0.81	0.01	1
796	1	76	ILE	HG23	H	0.81	0.01	1
797	1	76	ILE	HD11	H	1.01	0.01	1
798	1	76	ILE	HD12	H	1.01	0.01	1
799	1	76	ILE	HD13	H	1.01	0.01	1
800	1	76	ILE	CA	C	57.92	0.01	1
801	1	76	ILE	CB	C	40.63	0.01	1
802	1	76	ILE	N	N	116.21	0.01	1
803	1	77	PRO	HA	H	5.17	0.01	1
804	1	77	PRO	HB2	H	2.33	0.01	2
805	1	77	PRO	HB3	H	2.98	0.01	2
806	1	77	PRO	HG2	H	1.90	0.01	2
807	1	77	PRO	HD2	H	3.18	0.01	2
808	1	77	PRO	HD3	H	3.37	0.01	2
809	1	77	PRO	C	C	177.05	0.01	1
810	1	77	PRO	CA	C	62.62	0.01	1
811	1	77	PRO	CB	C	34.82	0.01	1
812	1	77	PRO	N	N	134.43	0.01	1
813	1	78	THR	H	H	8.04	0.01	1
814	1	78	THR	HA	H	5.25	0.01	1
815	1	78	THR	HB	H	3.96	0.01	1
816	1	78	THR	HG21	H	1.18	0.01	1
817	1	78	THR	HG22	H	1.18	0.01	1
818	1	78	THR	HG23	H	1.18	0.01	1
819	1	78	THR	C	C	172.10	0.01	1
820	1	78	THR	CA	C	63.81	0.01	1
821	1	78	THR	CB	C	73.52	0.01	1
822	1	78	THR	N	N	119.34	0.01	1
823	1	79	VAL	H	H	9.52	0.01	1
824	1	79	VAL	HA	H	5.59	0.01	1
825	1	79	VAL	HB	H	2.09	0.01	1
826	1	79	VAL	HG11	H	0.60	0.01	2
827	1	79	VAL	HG12	H	0.60	0.01	2
828	1	79	VAL	HG13	H	0.60	0.01	2
829	1	79	VAL	HG21	H	1.11	0.01	2
830	1	79	VAL	HG22	H	1.11	0.01	2
831	1	79	VAL	HG23	H	1.11	0.01	2
832	1	79	VAL	C	C	175.37	0.01	1
833	1	79	VAL	CA	C	60.22	0.01	1
834	1	79	VAL	CB	C	33.85	0.01	1
835	1	79	VAL	N	N	127.30	0.01	1
836	1	80	LEU	H	H	9.11	0.01	1
837	1	80	LEU	HA	H	5.34	0.01	1
838	1	80	LEU	HB2	H	1.83	0.01	2
839	1	80	LEU	HB3	H	2.08	0.01	2
840	1	80	LEU	HG	H	1.46	0.01	1
841	1	80	LEU	HD11	H	0.71	0.01	2
842	1	80	LEU	HD12	H	0.71	0.01	2
843	1	80	LEU	HD13	H	0.71	0.01	2
844	1	80	LEU	HD21	H	0.90	0.01	2
845	1	80	LEU	HD22	H	0.90	0.01	2
846	1	80	LEU	HD23	H	0.90	0.01	2
847	1	80	LEU	C	C	173.90	0.01	1
848	1	80	LEU	CA	C	52.87	0.01	1
849	1	80	LEU	CB	C	46.39	0.01	1
850	1	80	LEU	N	N	124.34	0.01	1
851	1	81	PHE	H	H	7.87	0.01	1
852	1	81	PHE	HA	H	5.34	0.01	1
853	1	81	PHE	HB2	H	2.44	0.01	2
854	1	81	PHE	HB3	H	2.50	0.01	2
855	1	81	PHE	HD1	H	7.04	0.01	3
856	1	81	PHE	HD2	H	7.04	0.01	3
857	1	81	PHE	HE1	H	7.13	0.01	3
858	1	81	PHE	HE2	H	7.13	0.01	3
859	1	81	PHE	HZ	H	6.92	0.01	1
860	1	81	PHE	C	C	174.77	0.01	1
861	1	81	PHE	CA	C	56.10	0.01	1
862	1	81	PHE	CB	C	41.50	0.01	1
863	1	81	PHE	N	N	117.46	0.01	1
864	1	82	PHE	H	H	9.71	0.01	1
865	1	82	PHE	HA	H	5.40	0.01	1
866	1	82	PHE	HB2	H	2.69	0.01	2
867	1	82	PHE	HB3	H	2.86	0.01	2
868	1	82	PHE	HD1	H	6.75	0.01	3
869	1	82	PHE	HD2	H	6.75	0.01	3
870	1	82	PHE	HE1	H	7.29	0.01	3
871	1	82	PHE	HE2	H	7.29	0.01	3
872	1	82	PHE	HZ	H	7.05	0.01	1
873	1	82	PHE	C	C	175.09	0.01	1
874	1	82	PHE	CA	C	56.15	0.01	1
875	1	82	PHE	CB	C	43.52	0.01	1
876	1	82	PHE	N	N	121.65	0.01	1
877	1	83	LYS	H	H	8.63	0.01	1
878	1	83	LYS	HA	H	4.57	0.01	1
879	1	83	LYS	HB2	H	1.77	0.01	2
880	1	83	LYS	HB3	H	2.07	0.01	2
881	1	83	LYS	HG2	H	1.45	0.01	2
882	1	83	LYS	HD2	H	1.64	0.01	2
883	1	83	LYS	C	C	176.07	0.01	1
884	1	83	LYS	CA	C	57.15	0.01	1
885	1	83	LYS	CB	C	36.52	0.01	1
886	1	83	LYS	N	N	119.03	0.01	1
887	1	84	ASN	H	H	9.57	0.01	1
888	1	84	ASN	HA	H	4.70	0.01	1
889	1	84	ASN	HB2	H	2.97	0.01	2
890	1	84	ASN	HB3	H	3.30	0.01	2
891	1	84	ASN	C	C	175.34	0.01	1
892	1	84	ASN	CA	C	54.71	0.01	1
893	1	84	ASN	CB	C	37.22	0.01	1
894	1	84	ASN	N	N	126.26	0.01	1
895	1	85	GLY	H	H	9.31	0.01	1
896	1	85	GLY	HA2	H	3.94	0.01	2
897	1	85	GLY	HA3	H	4.42	0.01	2
898	1	85	GLY	C	C	173.41	0.01	1
899	1	85	GLY	CA	C	46.20	0.01	1
900	1	85	GLY	N	N	104.21	0.01	1
901	1	86	GLU	H	H	7.90	0.01	1
902	1	86	GLU	HA	H	4.93	0.01	1
903	1	86	GLU	HB2	H	2.16	0.01	2
904	1	86	GLU	HB3	H	2.25	0.01	2
905	1	86	GLU	HG2	H	2.36	0.01	2
906	1	86	GLU	HG3	H	2.45	0.01	2
907	1	86	GLU	C	C	175.20	0.01	1
908	1	86	GLU	CA	C	54.12	0.01	1
909	1	86	GLU	CB	C	33.15	0.01	1
910	1	86	GLU	N	N	119.65	0.01	1
911	1	87	LYS	H	H	8.99	0.01	1
912	1	87	LYS	HA	H	3.50	0.01	1
913	1	87	LYS	HB2	H	1.73	0.01	2
914	1	87	LYS	HB3	H	1.94	0.01	2
915	1	87	LYS	HG2	H	1.31	0.01	2
916	1	87	LYS	HG3	H	1.65	0.01	2
917	1	87	LYS	C	C	176.29	0.01	1
918	1	87	LYS	CA	C	56.21	0.01	1
919	1	87	LYS	CB	C	31.10	0.01	1
920	1	87	LYS	N	N	125.39	0.01	1
921	1	88	LYS	H	H	9.20	0.01	1
922	1	88	LYS	HA	H	4.53	0.01	1
923	1	88	LYS	HB2	H	1.05	0.01	2
924	1	88	LYS	HB3	H	1.97	0.01	2
925	1	88	LYS	HG2	H	1.72	0.01	2
926	1	88	LYS	C	C	176.02	0.01	1
927	1	88	LYS	CA	C	54.02	0.01	1
928	1	88	LYS	CB	C	33.21	0.01	1
929	1	88	LYS	N	N	127.36	0.01	1
930	1	89	ASP	H	H	7.65	0.01	1
931	1	89	ASP	HA	H	4.89	0.01	1
932	1	89	ASP	HB2	H	2.40	0.01	2
933	1	89	ASP	HB3	H	2.63	0.01	2
934	1	89	ASP	C	C	174.39	0.01	1
935	1	89	ASP	CA	C	52.71	0.01	1
936	1	89	ASP	CB	C	44.72	0.01	1
937	1	89	ASP	N	N	115.60	0.01	1
938	1	90	SER	H	H	9.33	0.01	1
939	1	90	SER	HA	H	5.68	0.01	1
940	1	90	SER	HB2	H	3.72	0.01	2
941	1	90	SER	HB3	H	3.84	0.01	2
942	1	90	SER	C	C	173.19	0.01	1
943	1	90	SER	CA	C	56.71	0.01	1
944	1	90	SER	CB	C	66.53	0.01	1
945	1	90	SER	N	N	113.45	0.01	1
946	1	91	VAL	H	H	9.33	0.01	1
947	1	91	VAL	HA	H	4.48	0.01	1
948	1	91	VAL	HB	H	2.19	0.01	1
949	1	91	VAL	HG11	H	1.01	0.01	2
950	1	91	VAL	HG12	H	1.01	0.01	2
951	1	91	VAL	HG13	H	1.01	0.01	2
952	1	91	VAL	HG21	H	1.13	0.01	2
953	1	91	VAL	HG22	H	1.13	0.01	2
954	1	91	VAL	HG23	H	1.13	0.01	2
955	1	91	VAL	C	C	174.50	0.01	1
956	1	91	VAL	CA	C	61.71	0.01	1
957	1	91	VAL	CB	C	35.23	0.01	1
958	1	91	VAL	N	N	122.43	0.01	1
959	1	92	ILE	H	H	8.92	0.01	1
960	1	92	ILE	HA	H	4.70	0.01	1
961	1	92	ILE	HB	H	1.87	0.01	1
962	1	92	ILE	HG12	H	1.37	0.01	2
963	1	92	ILE	HG13	H	1.47	0.01	2
964	1	92	ILE	HG21	H	1.01	0.01	1
965	1	92	ILE	HG22	H	1.01	0.01	1
966	1	92	ILE	HG23	H	1.01	0.01	1
967	1	92	ILE	HD11	H	1.01	0.01	1
968	1	92	ILE	HD12	H	1.01	0.01	1
969	1	92	ILE	HD13	H	1.01	0.01	1
970	1	92	ILE	C	C	175.96	0.01	1
971	1	92	ILE	CA	C	61.62	0.01	1
972	1	92	ILE	CB	C	39.71	0.01	1
973	1	92	ILE	N	N	129.11	0.01	1
974	1	93	GLY	H	H	8.31	0.01	1
975	1	93	GLY	HA2	H	3.72	0.01	2
976	1	93	GLY	HA3	H	4.48	0.01	2
977	1	93	GLY	C	C	172.27	0.01	1
978	1	93	GLY	CA	C	43.5	0.01	1
979	1	93	GLY	N	N	113.77	0.01	1
980	1	94	ALA	H	H	8.48	0.01	1
981	1	94	ALA	HA	H	4.28	0.01	1
982	1	94	ALA	HB1	H	1.41	0.01	1
983	1	94	ALA	HB2	H	1.41	0.01	1
984	1	94	ALA	HB3	H	1.41	0.01	1
985	1	94	ALA	C	C	176.94	0.01	1
986	1	94	ALA	CA	C	52.10	0.01	1
987	1	94	ALA	CB	C	17.60	0.01	1
988	1	94	ALA	N	N	120.61	0.01	1
989	1	95	VAL	H	H	6.95	0.01	1
990	1	95	VAL	HA	H	4.90	0.01	1
991	1	95	VAL	HB	H	2.39	0.01	1
992	1	95	VAL	HG11	H	0.78	0.01	2
993	1	95	VAL	HG12	H	0.78	0.01	2
994	1	95	VAL	HG13	H	0.78	0.01	2
995	1	95	VAL	CA	C	58.52	0.01	1
996	1	95	VAL	CB	C	32.53	0.01	1
997	1	95	VAL	N	N	116.34	0.01	1
998	1	96	PRO	HA	H	4.73	0.01	1
999	1	96	PRO	HB2	H	2.08	0.01	2
1000	1	96	PRO	HB3	H	2.57	0.01	2
1001	1	96	PRO	HG2	H	2.41	0.01	2
1002	1	96	PRO	HG3	H	2.87	0.01	2
1003	1	96	PRO	HD2	H	3.80	0.01	2
1004	1	96	PRO	C	C	177.32	0.01	1
1005	1	96	PRO	CA	C	61.22	0.01	1
1006	1	96	PRO	CB	C	32.51	0.01	1
1007	1	96	PRO	N	N	131.51	0.01	1
1008	1	97	LYS	H	H	9.05	0.01	1
1009	1	97	LYS	HA	H	3.88	0.01	1
1010	1	97	LYS	HB2	H	2.04	0.01	2
1011	1	97	LYS	HB3	H	2.12	0.01	2
1012	1	97	LYS	HG2	H	1.56	0.01	2
1013	1	97	LYS	HD2	H	1.62	0.01	2
1014	1	97	LYS	HD3	H	1.69	0.01	2
1015	1	97	LYS	C	C	178.34	0.01	1
1016	1	97	LYS	CA	C	55.31	0.01	1
1017	1	97	LYS	CB	C	29.72	0.01	1
1018	1	97	LYS	N	N	121.84	0.01	1
1019	1	98	ALA	H	H	8.89	0.01	1
1020	1	98	ALA	HA	H	4.28	0.01	1
1021	1	98	ALA	HB1	H	1.57	0.01	1
1022	1	98	ALA	HB2	H	1.57	0.01	1
1023	1	98	ALA	HB3	H	1.57	0.01	1
1024	1	98	ALA	C	C	179.88	0.01	1
1025	1	98	ALA	CA	C	55.05	0.01	1
1026	1	98	ALA	CB	C	18.31	0.01	1
1027	1	98	ALA	N	N	118.40	0.01	1
1028	1	99	THR	H	H	7.45	0.01	1
1029	1	99	THR	HA	H	3.98	0.01	1
1030	1	99	THR	HB	H	4.25	0.01	1
1031	1	99	THR	HG21	H	1.30	0.01	1
1032	1	99	THR	HG22	H	1.30	0.01	1
1033	1	99	THR	HG23	H	1.30	0.01	1
1034	1	99	THR	C	C	176.56	0.01	1
1035	1	99	THR	CA	C	66.32	0.01	1
1036	1	99	THR	CB	C	68.81	0.01	1
1037	1	99	THR	N	N	113.86	0.01	1
1038	1	100	LEU	H	H	7.26	0.01	1
1039	1	100	LEU	HA	H	4.28	0.01	1
1040	1	100	LEU	HB2	H	1.41	0.01	2
1041	1	100	LEU	HB3	H	2.17	0.01	2
1042	1	100	LEU	HG	H	1.76	0.01	1
1043	1	100	LEU	HD11	H	0.91	0.01	2
1044	1	100	LEU	HD12	H	0.91	0.01	2
1045	1	100	LEU	HD13	H	0.91	0.01	2
1046	1	100	LEU	HD21	H	1.09	0.01	2
1047	1	100	LEU	HD22	H	1.09	0.01	2
1048	1	100	LEU	HD23	H	1.09	0.01	2
1049	1	100	LEU	C	C	178.56	0.01	1
1050	1	100	LEU	CA	C	57.72	0.01	1
1051	1	100	LEU	CB	C	43.02	0.01	1
1052	1	100	LEU	N	N	119.03	0.01	1
1053	1	101	SER	H	H	9.39	0.01	1
1054	1	101	SER	HA	H	4.41	0.01	1
1055	1	101	SER	HB2	H	4.03	0.01	2
1056	1	101	SER	HB3	H	4.21	0.01	2
1057	1	101	SER	C	C	175.47	0.01	1
1058	1	101	SER	CA	C	62.61	0.01	1
1059	1	101	SER	N	N	116.21	0.01	1
1060	1	102	GLU	H	H	7.75	0.01	1
1061	1	102	GLU	HA	H	4.03	0.01	1
1062	1	102	GLU	HB2	H	2.25	0.01	2
1063	1	102	GLU	HB3	H	2.18	0.01	2
1064	1	102	GLU	HG2	H	2.50	0.01	2
1065	1	102	GLU	HG3	H	2.41	0.01	2
1066	1	102	GLU	C	C	178.99	0.01	1
1067	1	102	GLU	CA	C	59.72	0.01	1
1068	1	102	GLU	CB	C	29.13	0.01	1
1069	1	102	GLU	N	N	120.59	0.01	1
1070	1	103	LYS	H	H	6.93	0.01	1
1071	1	103	LYS	HA	H	4.03	0.01	1
1072	1	103	LYS	HB2	H	1.84	0.01	2
1073	1	103	LYS	HB3	H	1.96	0.01	2
1074	1	103	LYS	HG2	H	1.43	0.01	2
1075	1	103	LYS	HG3	H	1.59	0.01	2
1076	1	103	LYS	C	C	177.64	0.01	1
1077	1	103	LYS	CA	C	58.04	0.01	1
1078	1	103	LYS	CB	C	32.62	0.01	1
1079	1	103	LYS	N	N	116.21	0.01	1
1080	1	104	VAL	H	H	8.08	0.01	1
1081	1	104	VAL	HA	H	3.38	0.01	1
1082	1	104	VAL	HB	H	2.05	0.01	1
1083	1	104	VAL	HG11	H	0.16	0.01	2
1084	1	104	VAL	HG12	H	0.16	0.01	2
1085	1	104	VAL	HG13	H	0.16	0.01	2
1086	1	104	VAL	HG21	H	1.05	0.01	2
1087	1	104	VAL	HG22	H	1.05	0.01	2
1088	1	104	VAL	HG23	H	1.05	0.01	2
1089	1	104	VAL	C	C	178.14	0.01	1
1090	1	104	VAL	CA	C	67.41	0.01	1
1091	1	104	VAL	CB	C	31.42	0.01	1
1092	1	104	VAL	N	N	118.40	0.01	1
1093	1	105	GLU	H	H	7.88	0.01	1
1094	1	105	GLU	HA	H	3.80	0.01	1
1095	1	105	GLU	HB2	H	2.04	0.01	2
1096	1	105	GLU	HB3	H	2.16	0.01	2
1097	1	105	GLU	HG2	H	2.28	0.01	2
1098	1	105	GLU	HG3	H	2.58	0.01	2
1099	1	105	GLU	C	C	177.58	0.01	1
1100	1	105	GLU	CA	C	58.81	0.01	1
1101	1	105	GLU	CB	C	28.92	0.01	1
1102	1	105	GLU	N	N	112.78	0.01	1
1103	1	106	LYS	H	H	7.30	0.01	1
1104	1	106	LYS	HA	H	4.04	0.01	1
1105	1	106	LYS	HB2	H	1.82	0.01	2
1106	1	106	LYS	HB3	H	2.04	0.01	2
1107	1	106	LYS	HG2	H	1.40	0.01	2
1108	1	106	LYS	HG3	H	1.59	0.01	2
1109	1	106	LYS	HD2	H	1.71	0.01	2
1110	1	106	LYS	C	C	178.25	0.01	1
1111	1	106	LYS	CA	C	57.74	0.01	1
1112	1	106	LYS	CB	C	31.72	0.01	1
1113	1	106	LYS	N	N	116.80	0.01	1
1114	1	107	TYR	H	H	7.40	0.01	1
1115	1	107	TYR	HA	H	4.85	0.01	1
1116	1	107	TYR	HB2	H	2.57	0.01	2
1117	1	107	TYR	HB3	H	3.46	0.01	2
1118	1	107	TYR	HD1	H	7.12	0.01	3
1119	1	107	TYR	HD2	H	7.12	0.01	3
1120	1	107	TYR	HE1	H	6.87	0.01	3
1121	1	107	TYR	HE2	H	6.87	0.01	3
1122	1	107	TYR	C	C	175.21	0.01	1
1123	1	107	TYR	CA	C	58.82	0.01	1
1124	1	107	TYR	CB	C	39.93	0.01	1
1125	1	107	TYR	N	N	114.82	0.01	1
1126	1	108	ILE	H	H	7.09	0.01	1
1127	1	108	ILE	HA	H	4.31	0.01	1
1128	1	108	ILE	HB	H	2.27	0.01	1
1129	1	108	ILE	HG12	H	1.22	0.01	2
1130	1	108	ILE	HG13	H	1.64	0.01	2
1131	1	108	ILE	HG21	H	0.60	0.01	1
1132	1	108	ILE	HG22	H	0.60	0.01	1
1133	1	108	ILE	HG23	H	0.60	0.01	1
1134	1	108	ILE	HD11	H	1.02	0.01	1
1135	1	108	ILE	HD12	H	1.02	0.01	1
1136	1	108	ILE	HD13	H	1.02	0.01	1
1137	1	108	ILE	CA	C	64.03	0.01	1
1138	1	108	ILE	CB	C	39.92	0.01	1
1139	1	108	ILE	N	N	119.21	0.01	1

Release date

2023-09-25

Citation

Three-dimensional solution structure, dynamics and binding of thioredoxin m from Pisum sativum
Neira, J.L., Palomino-Schatzlein, M., Rejas, V., Traverso, J.A., Rico, M., Lopez-Gorge, J., Chueca, A., Camara-Artigas, A.
Int. J. Biol. Macromol. (2024), 129781-129781, PubMed 38296131 , DOI 10.1016/j.ijbiomac.2024.129781 , Abstract