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BMRB: 31180

9CE9

Solution NMR structure of the fungal loosenin PcaLOO12 from Phanerochaete carnosa

Authors

Buchko, G.W., Master, E.R.

Assembly

RlpA-like protein double-psi beta-barrel domain-containing protein

Entity

1. RlpA-like protein double-psi beta-barrel domain-containing protein (polymer, Thiol state: all disulfide bound), 105 monomers, 10772.74 Da Detail

GHAPAEKRST TREGRGTWYD TGLGACGWNN VNSDTVIALS PSVYSGGSHC GQTVTVTNVV TGAKATGTVA DECPGCGPND IDMTPGLFQQ LGSLDEGVLT VSWTL

Formula weight

10772.74 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS26:SG	1:CYS50:SG
2	disulfide	sing	1:CYS73:SG	1:CYS76:SG

Source organism

Phanerochaete carnosa HHB-10118-sp

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 629, ¹³C: 404, ¹⁵N: 107 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	3	ALA	HA	H	4.84	0.02	1
2	1	3	ALA	HB1	H	1.36	0.02	1
3	1	3	ALA	HB2	H	1.36	0.02	1
4	1	3	ALA	HB3	H	1.36	0.02	1
5	1	3	ALA	CA	C	50.3	0.2	1
6	1	3	ALA	CB	C	18.0	0.2	1
7	1	4	PRO	HA	H	4.42	0.02	1
8	1	4	PRO	HB2	H	2.33	0.02	2
9	1	4	PRO	HB3	H	1.95	0.02	2
10	1	4	PRO	HG2	H	2.04	0.02	2
11	1	4	PRO	HG3	H	2.04	0.02	2
12	1	4	PRO	HD2	H	3.77	0.02	2
13	1	4	PRO	HD3	H	3.65	0.02	2
14	1	4	PRO	C	C	176.6	0.2	1
15	1	4	PRO	CA	C	62.9	0.2	1
16	1	4	PRO	CB	C	31.9	0.2	1
17	1	4	PRO	CG	C	27.3	0.2	1
18	1	4	PRO	CD	C	50.3	0.2	1
19	1	5	ALA	H	H	8.46	0.02	1
20	1	5	ALA	HA	H	4.30	0.02	1
21	1	5	ALA	HB1	H	1.41	0.02	1
22	1	5	ALA	HB2	H	1.41	0.02	1
23	1	5	ALA	HB3	H	1.41	0.02	1
24	1	5	ALA	C	C	177.7	0.2	1
25	1	5	ALA	CA	C	52.3	0.2	1
26	1	5	ALA	CB	C	19.0	0.2	1
27	1	5	ALA	N	N	123.9	0.2	1
28	1	6	GLU	H	H	8.40	0.02	1
29	1	6	GLU	HA	H	4.27	0.02	1
30	1	6	GLU	HB2	H	2.04	0.02	2
31	1	6	GLU	HB3	H	1.97	0.02	2
32	1	6	GLU	HG2	H	2.29	0.02	2
33	1	6	GLU	HG3	H	2.27	0.02	2
34	1	6	GLU	C	C	176.1	0.2	1
35	1	6	GLU	CA	C	56.3	0.2	1
36	1	6	GLU	CB	C	30.3	0.2	1
37	1	6	GLU	CG	C	36.1	0.2	1
38	1	6	GLU	N	N	120.2	0.2	1
39	1	7	LYS	H	H	8.43	0.2	1
40	1	7	LYS	HA	H	4.36	0.02	1
41	1	7	LYS	HB2	H	1.86	0.02	2
42	1	7	LYS	HB3	H	1.78	0.02	2
43	1	7	LYS	HG2	H	1.48	0.02	2
44	1	7	LYS	HG3	H	1.43	0.02	2
45	1	7	LYS	HD2	H	1.72	0.02	2
46	1	7	LYS	HD3	H	1.72	0.02	2
47	1	7	LYS	HE2	H	3.04	0.02	2
48	1	7	LYS	HE3	H	3.04	0.02	2
49	1	7	LYS	C	C	176.1	0.2	1
50	1	7	LYS	CA	C	56.0	0.2	1
51	1	7	LYS	CB	C	32.8	0.2	1
52	1	7	LYS	CG	C	24.4	0.2	1
53	1	7	LYS	CD	C	28.9	0.2	1
54	1	7	LYS	CE	C	42.0	0.2	1
55	1	7	LYS	N	N	123.2	0.2	1
56	1	8	ARG	H	H	8.52	0.02	1
57	1	8	ARG	HA	H	4.48	0.02	1
58	1	8	ARG	HB2	H	1.89	0.02	2
59	1	8	ARG	HB3	H	1.79	0.02	2
60	1	8	ARG	HG2	H	1.65	0.02	2
61	1	8	ARG	HG3	H	1.75	0.02	2
62	1	8	ARG	HD2	H	3.22	0.02	2
63	1	8	ARG	HD3	H	3.22	0.02	2
64	1	8	ARG	C	C	175.9	0.2	1
65	1	8	ARG	CA	C	55.6	0.2	1
66	1	8	ARG	CB	C	31.0	0.2	1
67	1	8	ARG	CG	C	26.8	0.2	1
68	1	8	ARG	CD	C	43.1	0.2	1
69	1	8	ARG	N	N	123.1	0.2	1
70	1	9	SER	H	H	8.42	0.02	1
71	1	9	SER	HA	H	4.81	0.02	1
72	1	9	SER	HB2	H	3.77	0.02	2
73	1	9	SER	HB3	H	3.68	0.02	2
74	1	9	SER	C	C	173.8	0.2	1
75	1	9	SER	CA	C	57.8	0.2	1
76	1	9	SER	CB	C	64.5	0.2	1
77	1	9	SER	N	N	118.3	0.2	1
78	1	10	THR	H	H	8.73	0.02	1
79	1	10	THR	C	C	173.6	0.2	1
80	1	10	THR	CA	C	61.8	0.2	1
81	1	10	THR	CB	C	70.9	0.2	1
82	1	10	THR	CG2	C	21.1	0.2	1
83	1	10	THR	N	N	118.0	0.2	1
84	1	11	THR	H	H	8.84	0.02	1
85	1	11	THR	HA	H	4.48	0.02	1
86	1	11	THR	HB	H	3.88	0.02	1
87	1	11	THR	HG21	H	1.08	0.02	1
88	1	11	THR	HG22	H	1.08	0.02	1
89	1	11	THR	HG23	H	1.08	0.02	1
90	1	11	THR	C	C	172.8	0.2	1
91	1	11	THR	CA	C	61.9	0.2	1
92	1	11	THR	CB	C	70.0	0.2	1
93	1	11	THR	CG2	C	21.5	0.2	1
94	1	11	THR	N	N	125.8	0.2	1
95	1	12	ARG	H	H	8.34	0.02	1
96	1	12	ARG	HA	H	4.32	0.02	1
97	1	12	ARG	HB2	H	1.36	0.02	2
98	1	12	ARG	HB3	H	0.02	0.02	2
99	1	12	ARG	HG2	H	1.18	0.02	2
100	1	12	ARG	HG3	H	0.96	0.02	2
101	1	12	ARG	HD2	H	2.87	0.02	2
102	1	12	ARG	HD3	H	2.40	0.02	2
103	1	12	ARG	C	C	172.7	0.2	1
104	1	12	ARG	CA	C	54.4	0.2	1
105	1	12	ARG	CB	C	34.0	0.2	1
106	1	12	ARG	CG	C	28.7	0.2	1
107	1	12	ARG	CD	C	43.5	0.2	1
108	1	12	ARG	N	N	128.1	0.2	1
109	1	13	GLU	H	H	8.00	0.02	1
110	1	13	GLU	HA	H	5.65	0.02	1
111	1	13	GLU	HB2	H	1.90	0.02	2
112	1	13	GLU	HB3	H	1.90	0.02	2
113	1	13	GLU	HG2	H	2.11	0.02	2
114	1	13	GLU	HG3	H	2.01	0.02	2
115	1	13	GLU	C	C	175.8	0.2	1
116	1	13	GLU	CA	C	54.2	0.2	1
117	1	13	GLU	CB	C	32.4	0.2	1
118	1	13	GLU	CG	C	37.1	0.2	1
119	1	13	GLU	N	N	119.0	0.2	1
120	1	14	GLY	H	H	9.10	0.02	1
121	1	14	GLY	HA2	H	4.18	0.02
122	1	14	GLY	HA3	H	4.03	0.02
123	1	14	GLY	C	C	171.5	0.2	1
124	1	14	GLY	CA	C	46.4	0.2	1
125	1	14	GLY	N	N	114.0	0.2	1
126	1	15	ARG	H	H	9.17	0.02	1
127	1	15	ARG	HA	H	4.95	0.02	1
128	1	15	ARG	HB2	H	1.73	0.02	2
129	1	15	ARG	HB3	H	1.68	0.02	2
130	1	15	ARG	HG2	H	1.73	0.02	2
131	1	15	ARG	HG3	H	1.65	0.02	2
132	1	15	ARG	HD2	H	3.27	0.02	2
133	1	15	ARG	HD3	H	3.17	0.02	2
134	1	15	ARG	C	C	176.1	0.2	1
135	1	15	ARG	CA	C	55.5	0.2	1
136	1	15	ARG	CB	C	32.2	0.2	1
137	1	15	ARG	CG	C	27.2	0.2	1
138	1	15	ARG	CD	C	43.6	0.2	1
139	1	15	ARG	N	N	122.9	0.2	1
140	1	16	GLY	H	H	9.26	0.02	1
141	1	16	GLY	HA2	H	2.99	0.02	2
142	1	16	GLY	HA3	H	2.99	0.02	2
143	1	16	GLY	C	C	171.7	0.2	1
144	1	16	GLY	CA	C	45.0	0.2	1
145	1	16	GLY	N	N	110.2	0.2	1
146	1	17	THR	H	H	8.20	0.02	1
147	1	17	THR	HA	H	5.28	0.02	1
148	1	17	THR	HB	H	4.61	0.02	1
149	1	17	THR	HG21	H	1.25	0.02	1
150	1	17	THR	HG22	H	1.25	0.02	1
151	1	17	THR	HG23	H	1.25	0.02	1
152	1	17	THR	C	C	173.3	0.2	1
153	1	17	THR	CA	C	60.0	0.2	1
154	1	17	THR	CB	C	71.1	0.2	1
155	1	17	THR	CG2	C	21.5	0.2	1
156	1	17	THR	N	N	116.8	0.2	1
157	1	18	TRP	H	H	8.12	0.02	1
158	1	18	TRP	HA	H	6.89	0.02	1
159	1	18	TRP	HB2	H	3.03	0.02	2
160	1	18	TRP	HB3	H	2.50	0.02	2
161	1	18	TRP	HE1	H	9.83	0.02	1
162	1	18	TRP	HE3	H	7.02	0.02	1
163	1	18	TRP	HZ2	H	7.33	0.02	1
164	1	18	TRP	HZ3	H	7.00	0.02	1
165	1	18	TRP	HH2	H	7.11	0.02	1
166	1	18	TRP	C	C	175.6	0.2	1
167	1	18	TRP	CA	C	54.0	0.2	1
168	1	18	TRP	CB	C	31.8	0.2	1
169	1	18	TRP	CE3	C	120.2	0.2	1
170	1	18	TRP	CZ2	C	114.2	0.2	1
171	1	18	TRP	CZ3	C	121.6	0.2	1
172	1	18	TRP	CH2	C	124.4	0.2	1
173	1	18	TRP	N	N	116.1	0.2	1
174	1	18	TRP	NE1	N	127.8	0.2	1
175	1	19	TYR	H	H	8.39	0.02	1
176	1	19	TYR	HA	H	4.78	0.02	1
177	1	19	TYR	HB2	H	3.05	0.02	2
178	1	19	TYR	HB3	H	2.76	0.02	2
179	1	19	TYR	HD1	H	6.79	0.02	3
180	1	19	TYR	HD2	H	6.79	0.02	3
181	1	19	TYR	HE1	H	6.47	0.02	3
182	1	19	TYR	HE2	H	6.47	0.02	3
183	1	19	TYR	C	C	171.6	0.2	1
184	1	19	TYR	CA	C	54.1	0.2	1
185	1	19	TYR	CB	C	41.5	0.2	1
186	1	19	TYR	CD1	C	133.7	0.2
187	1	19	TYR	CD2	C	133.7	0.2
188	1	19	TYR	CE1	C	116.1	0.2	3
189	1	19	TYR	CE2	C	116.1	0.2	3
190	1	19	TYR	N	N	119.4	0.2	1
191	1	20	ASP	H	H	7.96	0.02	1
192	1	20	ASP	HA	H	5.24	0.02	1
193	1	20	ASP	HB2	H	2.77	0.02	2
194	1	20	ASP	HB3	H	2.59	0.02	2
195	1	20	ASP	C	C	176.5	0.2	1
196	1	20	ASP	CA	C	53.1	0.2	1
197	1	20	ASP	CB	C	42.2	0.2	1
198	1	20	ASP	N	N	116.7	0.2	1
199	1	21	THR	H	H	7.79	0.02	1
200	1	21	THR	HA	H	4.46	0.02	1
201	1	21	THR	HB	H	3.46	0.02	1
202	1	21	THR	HG21	H	0.97	0.02	1
203	1	21	THR	HG22	H	0.97	0.02	1
204	1	21	THR	HG23	H	0.97	0.02	1
205	1	21	THR	C	C	173.1	0.2	1
206	1	21	THR	CA	C	59.1	0.2	1
207	1	21	THR	CB	C	69.0	0.2	1
208	1	21	THR	CG2	C	18.1	0.2	1
209	1	21	THR	N	N	118.3	0.2	1
210	1	22	GLY	H	H	8.79	0.02	1
211	1	22	GLY	HA2	H	4.30	0.02	2
212	1	22	GLY	HA3	H	4.21	0.02	2
213	1	22	GLY	C	C	173.8	0.2	1
214	1	22	GLY	CA	C	46.4	0.2	1
215	1	22	GLY	N	N	112.1	0.02	1
216	1	23	LEU	H	H	8.87	0.02	1
217	1	23	LEU	HA	H	4.71	0.02	1
218	1	23	LEU	HB2	H	1.82	0.02	2
219	1	23	LEU	HB3	H	1.51	0.02	2
220	1	23	LEU	HG	H	1.44	0.02	1
221	1	23	LEU	HD11	H	0.74	0.02	1
222	1	23	LEU	HD12	H	0.74	0.02	1
223	1	23	LEU	HD13	H	0.74	0.02	1
224	1	23	LEU	HD21	H	0.89	0.02	1
225	1	23	LEU	HD22	H	0.89	0.02	1
226	1	23	LEU	HD23	H	0.89	0.02	1
227	1	23	LEU	C	C	177.0	0.2	1
228	1	23	LEU	CA	C	55.6	0.2	1
229	1	23	LEU	CB	C	40.7	0.2	1
230	1	23	LEU	CG	C	26.9	0.2	1
231	1	23	LEU	CD1	C	22.1	0.2	1
232	1	23	LEU	CD2	C	25.4	0.2	1
233	1	23	LEU	N	N	131.4	0.2	1
234	1	24	GLY	H	H	8.21	0.02	1
235	1	24	GLY	HA2	H	3.91	0.02	2
236	1	24	GLY	HA3	H	3.91	0.02	2
237	1	24	GLY	C	C	176.1	0.2	1
238	1	24	GLY	CA	C	44.1	0.2	1
239	1	24	GLY	N	N	116.6	0.2	1
240	1	25	ALA	H	H	9.08	0.02	1
241	1	25	ALA	HA	H	4.08	0.02	1
242	1	25	ALA	HB1	H	1.32	0.02	1
243	1	25	ALA	HB2	H	1.32	0.02	1
244	1	25	ALA	HB3	H	1.32	0.02	1
245	1	25	ALA	C	C	178.6	0.2	1
246	1	25	ALA	CA	C	54.5	0.2	1
247	1	25	ALA	CB	C	18.9	0.2	1
248	1	25	ALA	N	N	122.8	0.2	1
249	1	26	CYS	H	H	7.15	0.02	1
250	1	26	CYS	HA	H	4.21	0.02	1
251	1	26	CYS	HB2	H	2.14	0.02	2
252	1	26	CYS	HB3	H	2.08	0.02	2
253	1	26	CYS	C	C	174.7	0.2	1
254	1	26	CYS	CA	C	55.5	0.2	1
255	1	26	CYS	CB	C	39.4	0.2	1
256	1	26	CYS	N	N	111.0	0.2	1
257	1	27	GLY	H	H	7.88	0.02	1
258	1	27	GLY	HA2	H	4.17	0.02	2
259	1	27	GLY	HA3	H	3.55	0.02	2
260	1	27	GLY	C	C	174.2	0.2	1
261	1	27	GLY	CA	C	44.7	0.2	1
262	1	27	GLY	N	N	105.4	0.2	1
263	1	28	TRP	H	H	7.93	0.02	1
264	1	28	TRP	HA	H	5.18	0.02	1
265	1	28	TRP	HB2	H	3.43	0.02	2
266	1	28	TRP	HB3	H	3.21	0.02	2
267	1	28	TRP	HD1	H	7.12	0.02	1
268	1	28	TRP	HE1	H	9.86	0.2	1
269	1	28	TRP	HE3	H	7.68	0.02	1
270	1	28	TRP	HZ2	H	7.60	0.02	1
271	1	28	TRP	HZ3	H	7.28	0.02	1
272	1	28	TRP	HH2	H	6.94	0.2	1
273	1	28	TRP	C	C	174.4	0.2	1
274	1	28	TRP	CA	C	55.6	0.2	1
275	1	28	TRP	CB	C	29.5	0.2	1
276	1	28	TRP	CD1	C	127.2	0.2	1
277	1	28	TRP	CE3	C	121.2	0.2	1
278	1	28	TRP	CZ2	C	114.4	0.2	1
279	1	28	TRP	CZ3	C	121.2	0.2	1
280	1	28	TRP	CH2	C	123.2	0.2	1
281	1	28	TRP	N	N	119.7	0.2	1
282	1	28	TRP	NE1	N	130.4	0.2	1
283	1	29	ASN	H	H	8.98	0.02	1
284	1	29	ASN	HA	H	5.12	0.02	1
285	1	29	ASN	HB2	H	2.70	0.02	2
286	1	29	ASN	HB3	H	2.64	0.02	2
287	1	29	ASN	HD21	H	7.58	0.02	2
288	1	29	ASN	HD22	H	6.79	0.02	2
289	1	29	ASN	C	C	174.4	0.2	1
290	1	29	ASN	CA	C	53.0	0.2	1
291	1	29	ASN	CB	C	40.4	0.2	1
292	1	29	ASN	N	N	120.0	0.2	1
293	1	29	ASN	ND2	N	112.2	0.2	1
294	1	30	ASN	H	H	8.06	0.02	1
295	1	30	ASN	HA	H	5.21	0.02	1
296	1	30	ASN	HB2	H	3.03	0.02	2
297	1	30	ASN	HB3	H	2.84	0.02	2
298	1	30	ASN	HD21	H	8.46	0.02	2
299	1	30	ASN	HD22	H	6.76	0.02	2
300	1	30	ASN	C	C	172.9	0.2	1
301	1	30	ASN	CA	C	54.3	0.2	1
302	1	30	ASN	CB	C	44.0	0.2	1
303	1	30	ASN	N	N	121.1	0.2	1
304	1	30	ASN	ND2	N	108.6	0.2	1
305	1	31	VAL	H	H	8.58	0.02	1
306	1	31	VAL	HA	H	4.63	0.02	1
307	1	31	VAL	HB	H	2.34	0.02	1
308	1	31	VAL	HG11	H	0.92	0.02	1
309	1	31	VAL	HG12	H	0.92	0.02	1
310	1	31	VAL	HG13	H	0.92	0.02	1
311	1	31	VAL	HG21	H	0.82	0.02	1
312	1	31	VAL	HG22	H	0.82	0.02	1
313	1	31	VAL	HG23	H	0.82	0.02	1
314	1	31	VAL	C	C	177.7	0.2	1
315	1	31	VAL	CA	C	59.3	0.2	1
316	1	31	VAL	CB	C	34.6	0.2	1
317	1	31	VAL	CG1	C	21.6	0.2	1
318	1	31	VAL	CG2	C	18.6	0.2	1
319	1	31	VAL	N	N	111.0	0.2	1
320	1	32	ASN	H	H	8.96	0.02	1
321	1	32	ASN	HA	H	4.42	0.02	1
322	1	32	ASN	HB2	H	2.94	0.02	2
323	1	32	ASN	HB3	H	2.63	0.02	2
324	1	32	ASN	HD21	H	8.22	0.02	2
325	1	32	ASN	HD22	H	7.32	0.02	2
326	1	32	ASN	C	C	175.3	0.2	1
327	1	32	ASN	CA	C	55.7	0.2	1
328	1	32	ASN	CB	C	37.9	0.2	1
329	1	32	ASN	N	N	120.7	0.2	1
330	1	32	ASN	ND2	N	109.2	0.2	1
331	1	33	SER	H	H	7.63	0.02	1
332	1	33	SER	HA	H	4.22	0.02	1
333	1	33	SER	HB2	H	4.11	0.02	2
334	1	33	SER	HB3	H	3.73	0.02	2
335	1	33	SER	C	C	175.9	0.2	1
336	1	33	SER	CA	C	58.6	0.2	1
337	1	33	SER	CB	C	62.7	0.2	1
338	1	33	SER	N	N	108.7	0.2	1
339	1	34	ASP	H	H	8.08	0.02	1
340	1	34	ASP	HA	H	4.79	0.02	1
341	1	34	ASP	HB2	H	3.25	0.02	2
342	1	34	ASP	HB3	H	3.02	0.02	2
343	1	34	ASP	C	C	176.0	0.2	1
344	1	34	ASP	CA	C	54.8	0.2	1
345	1	34	ASP	CB	C	41.3	0.3	1
346	1	34	ASP	N	N	123.2	0.2	1
347	1	35	THR	H	H	9.13	0.02	1
348	1	35	THR	HA	H	4.48	0.02	1
349	1	35	THR	HB	H	4.54	0.02	1
350	1	35	THR	HG21	H	0.94	0.02	1
351	1	35	THR	HG22	H	0.94	0.02	1
352	1	35	THR	HG23	H	0.94	0.02	1
353	1	35	THR	C	C	174.6	0.2	1
354	1	35	THR	CA	C	57.2	0.2	1
355	1	35	THR	CB	C	68.7	0.2	1
356	1	35	THR	CG2	C	19.4	0.2	1
357	1	35	THR	N	N	112.5	0.2	1
358	1	36	VAL	H	H	7.92	0.02	1
359	1	36	VAL	HA	H	5.81	0.02	1
360	1	36	VAL	HB	H	2.46	0.02	1
361	1	36	VAL	HG11	H	0.96	0.02	1
362	1	36	VAL	HG12	H	0.96	0.02	1
363	1	36	VAL	HG13	H	0.96	0.02	1
364	1	36	VAL	HG21	H	0.79	0.02	1
365	1	36	VAL	HG22	H	0.79	0.02	1
366	1	36	VAL	HG23	H	0.79	0.02	1
367	1	36	VAL	C	C	174.0	0.2	1
368	1	36	VAL	CA	C	58.9	0.2	1
369	1	36	VAL	CB	C	35.8	0.2	1
370	1	36	VAL	CG1	C	21.2	0.2	1
371	1	36	VAL	CG2	C	18.6	0.2	1
372	1	36	VAL	N	N	114.4	0.2	1
373	1	37	ILE	H	H	8.17	0.02	1
374	1	37	ILE	HA	H	5.14	0.02	1
375	1	37	ILE	HB	H	1.23	0.02	1
376	1	37	ILE	HG12	H	1.32	0.02	2
377	1	37	ILE	HG13	H	0.75	0.02	2
378	1	37	ILE	HG21	H	0.66	0.02	1
379	1	37	ILE	HG22	H	0.66	0.02	1
380	1	37	ILE	HG23	H	0.66	0.02	1
381	1	37	ILE	HD11	H	0.56	0.02	1
382	1	37	ILE	HD12	H	0.56	0.02	1
383	1	37	ILE	HD13	H	0.56	0.02	1
384	1	37	ILE	C	C	173.5	0.2	1
385	1	37	ILE	CA	C	59.3	0.2	1
386	1	37	ILE	CB	C	44.1	0.2	1
387	1	37	ILE	CG1	C	29.1	0.2	1
388	1	37	ILE	CG2	C	18.3	0.2	1
389	1	37	ILE	CD1	C	15.2	0.2	1
390	1	37	ILE	N	N	116.0	0.2	1
391	1	38	ALA	H	H	9.64	0.02	1
392	1	38	ALA	HA	H	5.04	0.02	1
393	1	38	ALA	HB1	H	0.82	0.02	1
394	1	38	ALA	HB2	H	0.82	0.02	1
395	1	38	ALA	HB3	H	0.82	0.02	1
396	1	38	ALA	C	C	175.2	0.2	1
397	1	38	ALA	CA	C	48.4	0.2	1
398	1	38	ALA	CB	C	22.0	0.2	1
399	1	38	ALA	N	N	130.2	0.2	1
400	1	39	LEU	H	H	7.61	0.02	1
401	1	39	LEU	HA	H	4.72	0.0	1
402	1	39	LEU	HB2	H	1.81	0.02	2
403	1	39	LEU	HB3	H	1.64	0.02	2
404	1	39	LEU	HG	H	0.98	0.02	1
405	1	39	LEU	HD11	H	1.19	0.02	1
406	1	39	LEU	HD12	H	1.19	0.02	1
407	1	39	LEU	HD13	H	1.19	0.02	1
408	1	39	LEU	HD21	H	0.68	0.02	1
409	1	39	LEU	HD22	H	0.68	0.02	1
410	1	39	LEU	HD23	H	0.68	0.02	1
411	1	39	LEU	C	C	177.4	0.2	1
412	1	39	LEU	CA	C	52.3	0.2	1
413	1	39	LEU	CB	C	46.5	0.2	1
414	1	39	LEU	CG	C	27.6	0.2	1
415	1	39	LEU	CD1	C	22.4	0.2	1
416	1	39	LEU	CD2	C	23.4	0.2	1
417	1	39	LEU	N	N	118.1	0.2	1
418	1	40	SER	H	H	9.59	0.02	1
419	1	40	SER	HB2	H	4.28	0.02	2
420	1	40	SER	HB3	H	3.77	0.02	2
421	1	40	SER	C	C	174.3	0.2	1
422	1	40	SER	CA	C	57.3	0.2	1
423	1	40	SER	CB	C	65.1	0.2	1
424	1	40	SER	N	N	119.3	0.2	1
425	1	41	PRO	HA	H	4.87	0.02	1
426	1	41	PRO	HG2	H	2.26	0.02	2
427	1	41	PRO	HG3	H	1.82	0.02	2
428	1	41	PRO	HD2	H	4.43	0.02	2
429	1	41	PRO	HD3	H	3.85	0.02	2
430	1	41	PRO	CG	C	27.7	0.2	1
431	1	41	PRO	CD	C	50.6	0.2	1
432	1	42	SER	C	C	175.5	0.2	1
433	1	42	SER	CA	C	61.1	0.2	1
434	1	42	SER	CB	C	62.3	0.2	1
435	1	43	VAL	H	H	7.68	0.02	1
436	1	43	VAL	HA	H	4.12	0.02	1
437	1	43	VAL	HB	H	2.22	0.02	1
438	1	43	VAL	HG11	H	1.23	0.02	2
439	1	43	VAL	HG12	H	1.23	0.02	2
440	1	43	VAL	HG13	H	1.23	0.02	2
441	1	43	VAL	HG21	H	1.23	0.02	2
442	1	43	VAL	HG22	H	1.23	0.02	2
443	1	43	VAL	HG23	H	1.23	0.02	2
444	1	43	VAL	C	C	176.5	0.2	1
445	1	43	VAL	CA	C	63.8	0.2	1
446	1	43	VAL	CB	C	32.5	0.2	1
447	1	43	VAL	CG1	C	22.4	0.2	2
448	1	43	VAL	CG2	C	22.4	0.2	2
449	1	43	VAL	N	N	122.7	0.2	1
450	1	44	TYR	H	H	9.41	0.02	1
451	1	44	TYR	HA	H	3.92	0.02	1
452	1	44	TYR	HB2	H	3.15	0.02	2
453	1	44	TYR	HB3	H	3.12	0.02	2
454	1	44	TYR	HD1	H	7.05	0.02	3
455	1	44	TYR	HD2	H	7.05	0.02	3
456	1	44	TYR	HE1	H	6.48	0.02	3
457	1	44	TYR	HE2	H	6.48	0.02	3
458	1	44	TYR	C	C	178.2	0.2	1
459	1	44	TYR	CA	C	61.6	0.2	1
460	1	44	TYR	CB	C	38.8	0.2	1
461	1	44	TYR	CD1	C	133.5	0.2	3
462	1	44	TYR	CD2	C	133.5	0.2	3
463	1	44	TYR	CE1	C	117.7	0.2	3
464	1	44	TYR	CE2	C	117.7	0.2	3
465	1	44	TYR	N	N	120.8	0.2	1
466	1	45	SER	H	H	8.07	0.02	1
467	1	45	SER	HA	H	4.12	0.02	1
468	1	45	SER	HB2	H	3.97	0.02	2
469	1	45	SER	HB3	H	3.69	0.02	2
470	1	45	SER	C	C	176.5	0.2	1
471	1	45	SER	CA	C	57.7	0.2	1
472	1	45	SER	CB	C	61.9	0.2	1
473	1	45	SER	N	N	110.0	0.2	1
474	1	46	GLY	H	H	9.11	0.02	1
475	1	46	GLY	HA2	H	4.06	0.02	2
476	1	46	GLY	HA3	H	3.97	0.02	2
477	1	46	GLY	C	C	176.9	0.2	1
478	1	46	GLY	CA	C	46.4	0.2	1
479	1	46	GLY	N	N	107.7	0.2	1
480	1	47	GLY	H	H	6.68	0.02	1
481	1	47	GLY	HA2	H	4.31	0.02	2
482	1	47	GLY	HA3	H	3.10	0.02	2
483	1	47	GLY	C	C	174.0	0.2	1
484	1	47	GLY	CA	C	44.8	0.2	1
485	1	47	GLY	N	N	107.1	0.2	1
486	1	48	SER	H	H	7.24	0.02	1
487	1	48	SER	HA	H	4.02	0.02	1
488	1	48	SER	HB2	H	3.64	0.02	2
489	1	48	SER	HB3	H	3.57	0.02	2
490	1	48	SER	CA	C	60.9	0.2	1
491	1	48	SER	CB	C	63.1	0.2	1
492	1	48	SER	N	N	115.5	0.2	1
493	1	49	HIS	H	H	8.09	0.02	1
494	1	49	HIS	HA	H	5.02	0.02	1
495	1	49	HIS	HB2	H	3.37	0.02	2
496	1	49	HIS	HB3	H	2.90	0.02	2
497	1	49	HIS	HD2	H	7.15	0.02	1
498	1	49	HIS	C	C	175.0	0.2	1
499	1	49	HIS	CA	C	54.2	0.2	1
500	1	49	HIS	CB	C	30.0	0.2	1
501	1	49	HIS	CD2	C	118.2	0.2	1
502	1	49	HIS	N	N	115.8	0.2	1
503	1	50	CYS	H	H	7.51	0.02	1
504	1	50	CYS	HA	H	4.09	0.02	1
505	1	50	CYS	HB2	H	3.06	0.02	2
506	1	50	CYS	HB3	H	3.06	0.02	2
507	1	50	CYS	C	C	176.1	0.2	1
508	1	50	CYS	CA	C	60.3	0.2	1
509	1	50	CYS	CB	C	40.1	0.2	1
510	1	50	CYS	N	N	119.0	0.2	1
511	1	51	GLY	H	H	9.79	0.02	1
512	1	51	GLY	HA2	H	4.66	0.02	2
513	1	51	GLY	HA3	H	3.85	0.02	2
514	1	51	GLY	C	C	173.5	0.2	1
515	1	51	GLY	CA	C	45.4	0.2	1
516	1	51	GLY	N	N	112.3	0.2	1
517	1	52	GLN	H	H	8.35	0.02	1
518	1	52	GLN	HA	H	4.48	0.02	1
519	1	52	GLN	HB2	H	2.33	0.02	2
520	1	52	GLN	HB3	H	2.33	0.02	2
521	1	52	GLN	HG2	H	2.61	0.02	2
522	1	52	GLN	HG3	H	2.61	0.02	2
523	1	52	GLN	HE21	H	7.86	0.02
524	1	52	GLN	HE22	H	7.36	0.02
525	1	52	GLN	C	C	175.8	0.2	1
526	1	52	GLN	CA	C	56.3	0.2	1
527	1	52	GLN	CB	C	29.3	0.2	1
528	1	52	GLN	CG	C	34.4	0.2	1
529	1	52	GLN	N	N	120.3	0.2	1
530	1	52	GLN	NE2	N	113.4	0.2	1
531	1	53	THR	H	H	8.76	0.02	1
532	1	53	THR	HA	H	4.79	0.02	1
533	1	53	THR	HB	H	4.11	0.02	1
534	1	53	THR	HG21	H	1.27	0.02	1
535	1	53	THR	HG22	H	1.27	0.02	1
536	1	53	THR	HG23	H	1.27	0.02	1
537	1	53	THR	C	C	173.5	0.2	1
538	1	53	THR	CA	C	63.2	0.2	1
539	1	53	THR	CB	C	69.7	0.2	1
540	1	53	THR	CG2	C	21.7	0.2	1
541	1	53	THR	N	N	117.7	0.2	1
542	1	54	VAL	H	H	9.28	0.02	1
543	1	54	VAL	HA	H	4.84	0.02	1
544	1	54	VAL	HB	H	1.79	0.02	1
545	1	54	VAL	HG11	H	1.09	0.02	1
546	1	54	VAL	HG12	H	1.09	0.02	1
547	1	54	VAL	HG13	H	1.09	0.02	1
548	1	54	VAL	HG21	H	1.01	0.02	1
549	1	54	VAL	HG22	H	1.01	0.02	1
550	1	54	VAL	HG23	H	1.01	0.02	1
551	1	54	VAL	C	C	175.3	0.2	1
552	1	54	VAL	CA	C	60.2	0.2	1
553	1	54	VAL	CB	C	35.6	0.2	1
554	1	54	VAL	CG1	C	22.4	0.2	1
555	1	54	VAL	CG2	C	22.8	0.2	1
556	1	54	VAL	N	N	127.1	0.2	1
557	1	55	THR	H	H	8.22	0.02	1
558	1	55	THR	HA	H	4.84	0.02	1
559	1	55	THR	HB	H	4.07	0.02	1
560	1	55	THR	HG21	H	1.17	0.02	1
561	1	55	THR	HG22	H	1.17	0.02	1
562	1	55	THR	HG23	H	1.17	0.02	1
563	1	55	THR	C	C	173.6	0.2	1
564	1	55	THR	CA	C	62.0	0.2	1
565	1	55	THR	CB	C	69.1	0.2	1
566	1	55	THR	CG2	C	21.1	0.2	1
567	1	55	THR	N	N	121.2	0.2	1
568	1	56	VAL	H	H	9.42	0.02	1
569	1	56	VAL	HA	H	4.79	0.02	1
570	1	56	VAL	HB	H	1.90	0.02	1
571	1	56	VAL	HG11	H	0.86	0.02	1
572	1	56	VAL	HG12	H	0.86	0.02	1
573	1	56	VAL	HG13	H	0.86	0.02	1
574	1	56	VAL	HG21	H	0.81	0.02	1
575	1	56	VAL	HG22	H	0.81	0.02	1
576	1	56	VAL	HG23	H	0.81	0.02	1
577	1	56	VAL	C	C	173.3	0.2	1
578	1	56	VAL	CA	C	61.4	0.2	1
579	1	56	VAL	CB	C	34.1	0.2	1
580	1	56	VAL	CG1	C	23.2	0.2	1
581	1	56	VAL	CG2	C	21.1	0.2	1
582	1	56	VAL	N	N	129.5	0.2	1
583	1	57	THR	H	H	9.35	0.02	1
584	1	57	THR	HA	H	5.33	0.02	1
585	1	57	THR	HB	H	3.99	0.02	1
586	1	57	THR	HG21	H	0.98	0.02	1
587	1	57	THR	HG22	H	0.98	0.02	1
588	1	57	THR	HG23	H	0.98	0.02	1
589	1	57	THR	C	C	174.6	0.2	1
590	1	57	THR	CA	C	60.5	0.2	1
591	1	57	THR	CB	C	71.4	0.2	1
592	1	57	THR	CG2	C	20.2	0.2	1
593	1	57	THR	N	N	121.3	0.2	1
594	1	58	ASN	H	H	9.36	0.02	1
595	1	58	ASN	HA	H	4.78	0.02	1
596	1	58	ASN	HB2	H	3.41	0.02	2
597	1	58	ASN	HB3	H	2.42	0.02	2
598	1	58	ASN	HD21	H	8.00	0.02	2
599	1	58	ASN	HD22	H	7.82	0.02	2
600	1	58	ASN	C	C	175.6	0.2	1
601	1	58	ASN	CA	C	52.6	0.2	1
602	1	58	ASN	CB	C	38.7	0.2	1
603	1	58	ASN	N	N	123.9	0.2	1
604	1	58	ASN	ND2	N	116.3	0.2	1
605	1	59	VAL	H	H	8.43	0.02	1
606	1	59	VAL	HA	H	3.84	0.02	1
607	1	59	VAL	HB	H	2.04	0.02	1
608	1	59	VAL	HG11	H	0.96	0.02	1
609	1	59	VAL	HG12	H	0.96	0.02	1
610	1	59	VAL	HG13	H	0.96	0.02	1
611	1	59	VAL	HG21	H	0.92	0.02	1
612	1	59	VAL	HG22	H	0.92	0.02	1
613	1	59	VAL	HG23	H	0.92	0.02	1
614	1	59	VAL	C	C	177.1	0.2	1
615	1	59	VAL	CA	C	64.6	0.2	1
616	1	59	VAL	CB	C	31.5	0.2	1
617	1	59	VAL	CG1	C	21.4	0.2	1
618	1	59	VAL	CG2	C	20.8	0.2	1
619	1	59	VAL	N	N	124.0	0.2	1
620	1	60	VAL	H	H	8.17	0.02	1
621	1	60	VAL	HA	H	3.88	0.02	1
622	1	60	VAL	HB	H	2.28	0.02	1
623	1	60	VAL	HG11	H	1.16	0.02	1
624	1	60	VAL	HG12	H	1.16	0.02	1
625	1	60	VAL	HG13	H	1.16	0.02	1
626	1	60	VAL	HG21	H	1.01	0.02	1
627	1	60	VAL	HG22	H	1.01	0.02	1
628	1	60	VAL	HG23	H	1.01	0.02	1
629	1	60	VAL	C	C	177.6	0.2	1
630	1	60	VAL	CA	C	65.3	0.2	1
631	1	60	VAL	CB	C	31.9	0.2	1
632	1	60	VAL	CG1	C	22.5	0.2	2
633	1	60	VAL	CG2	C	20.9	0.2	2
634	1	60	VAL	N	N	118.7	0.2	1
635	1	61	THR	H	H	6.93	0.02	1
636	1	61	THR	HA	H	4.49	0.02	1
637	1	61	THR	HB	H	4.47	0.02	1
638	1	61	THR	HG21	H	1.25	0.02	1
639	1	61	THR	HG22	H	1.25	0.02	1
640	1	61	THR	HG23	H	1.25	0.02	1
641	1	61	THR	C	C	176.4	0.2	1
642	1	61	THR	CA	C	61.3	0.2	1
643	1	61	THR	CB	C	70.5	0.2	1
644	1	61	THR	CG2	C	21.3	0.2	1
645	1	61	THR	N	N	105.6	0.2	1
646	1	62	GLY	H	H	8.83	0.02	1
647	1	62	GLY	HA2	H	4.26	0.02	2
648	1	62	GLY	HA3	H	3.60	0.02	2
649	1	62	GLY	C	C	173.6	0.2	1
650	1	62	GLY	CA	C	45.1	0.2	1
651	1	62	GLY	N	N	112.1	0.2	1
652	1	63	ALA	H	H	7.58	0.02	1
653	1	63	ALA	HA	H	4.26	0.02	1
654	1	63	ALA	HB1	H	1.48	0.02	1
655	1	63	ALA	HB2	H	1.48	0.02	1
656	1	63	ALA	HB3	H	1.48	0.02	1
657	1	63	ALA	C	C	175.0	0.2	1
658	1	63	ALA	CA	C	53.2	0.2	1
659	1	63	ALA	CB	C	19.4	0.2	1
660	1	63	ALA	N	N	123.7	0.2	1
661	1	64	LYS	H	H	8.29	0.02	1
662	1	64	LYS	HA	H	5.61	0.02	1
663	1	64	LYS	HB2	H	1.68	0.02	2
664	1	64	LYS	HB3	H	1.62	0.02	2
665	1	64	LYS	HG2	H	1.44	0.02	2
666	1	64	LYS	HG3	H	1.44	0.02	2
667	1	64	LYS	HD2	H	1.58	0.02	2
668	1	64	LYS	HD3	H	1.58	0.02	2
669	1	64	LYS	HE2	H	2.92	0.02	2
670	1	64	LYS	HE3	H	2.92	0.02	2
671	1	64	LYS	C	C	175.4	0.2	1
672	1	64	LYS	CA	C	54.5	0.2	1
673	1	64	LYS	CB	C	36.8	0.2	1
674	1	64	LYS	CG	C	23.9	0.2	1
675	1	64	LYS	CD	C	29.3	0.2	1
676	1	64	LYS	CE	C	41.8	0.2	1
677	1	64	LYS	N	N	119.5	0.2	1
678	1	65	ALA	H	H	9.21	0.02	1
679	1	65	ALA	HA	H	4.70	0.02	1
680	1	65	ALA	HB1	H	1.25	0.02	1
681	1	65	ALA	HB2	H	1.25	0.02	1
682	1	65	ALA	HB3	H	1.25	0.02	1
683	1	65	ALA	C	C	174.8	0.2	1
684	1	65	ALA	CA	C	51.5	0.2	1
685	1	65	ALA	CB	C	23.4	0.2	1
686	1	65	ALA	N	N	124.4	0.2	1
687	1	66	THR	H	H	8.20	0.02	1
688	1	66	THR	HA	H	5.50	0.02	1
689	1	66	THR	HB	H	4.06	0.02	1
690	1	66	THR	HG21	H	1.24	0.02	1
691	1	66	THR	HG22	H	1.24	0.02	1
692	1	66	THR	HG23	H	1.24	0.02	1
693	1	66	THR	C	C	173.7	0.2	1
694	1	66	THR	CA	C	60.0	0.2	1
695	1	66	THR	CB	C	71.7	0.2	1
696	1	66	THR	CG2	C	21.7	0.2	1
697	1	66	THR	N	N	110.8	0.2	1
698	1	67	GLY	H	H	8.63	0.02	1
699	1	67	GLY	HA2	H	3.52	0.02	2
700	1	67	GLY	HA3	H	3.52	0.02	2
701	1	67	GLY	C	C	171.8	0.2	1
702	1	67	GLY	CA	C	44.7	0.2	1
703	1	67	GLY	N	N	107.3	0.2	1
704	1	68	THR	H	H	8.22	0.02	1
705	1	68	THR	HA	H	5.57	0.02	1
706	1	68	THR	HB	H	3.88	0.02	1
707	1	68	THR	HG21	H	1.16	0.02	1
708	1	68	THR	HG22	H	1.16	0.02	1
709	1	68	THR	HG23	H	1.16	0.02	1
710	1	68	THR	C	C	175.2	0.2	1
711	1	68	THR	CA	C	59.4	0.2	1
712	1	68	THR	CB	C	71.7	0.2	1
713	1	68	THR	CG2	C	21.9	0.2	1
714	1	68	THR	N	N	109.3	0.2	1
715	1	69	VAL	H	H	8.79	0.02	1
716	1	69	VAL	HA	H	4.07	0.02	1
717	1	69	VAL	HB	H	2.70	0.02	1
718	1	69	VAL	HG11	H	1.08	0.02	1
719	1	69	VAL	HG12	H	1.08	0.02	1
720	1	69	VAL	HG13	H	1.08	0.02	1
721	1	69	VAL	HG21	H	1.07	0.02	1
722	1	69	VAL	HG22	H	1.07	0.02	1
723	1	69	VAL	HG23	H	1.07	0.02	1
724	1	69	VAL	C	C	177.3	0.2	1
725	1	69	VAL	CA	C	64.6	0.2	1
726	1	69	VAL	CB	C	31.4	0.2	1
727	1	69	VAL	CG1	C	20.4	0.2	1
728	1	69	VAL	CG2	C	22.4	0.2	1
729	1	69	VAL	N	N	122.8	0.2	1
730	1	70	ALA	H	H	9.69	0.02	1
731	1	70	ALA	HA	H	5.22	0.02	1
732	1	70	ALA	HB1	H	1.64	0.02	1
733	1	70	ALA	HB2	H	1.64	0.02	1
734	1	70	ALA	HB3	H	1.64	0.02	1
735	1	70	ALA	C	C	176.5	0.2	1
736	1	70	ALA	CA	C	52.7	0.2	1
737	1	70	ALA	CB	C	23.8	0.2	1
738	1	70	ALA	N	N	129.4	0.2	1
739	1	71	ASP	H	H	8.21	0.02	1
740	1	71	ASP	HA	H	5.05	0.02	1
741	1	71	ASP	HB2	H	2.69	0.02	2
742	1	71	ASP	HB3	H	2.59	0.02	2
743	1	71	ASP	C	C	171.7	0.2	1
744	1	71	ASP	CA	C	52.4	0.2	1
745	1	71	ASP	CB	C	46.0	0.2	1
746	1	71	ASP	N	N	119.3	0.2	1
747	1	72	GLU	H	H	8.87	0.02	1
748	1	72	GLU	HA	H	4.60	0.02	1
749	1	72	GLU	HB2	H	1.27	0.02	2
750	1	72	GLU	HB3	H	0.30	0.02	2
751	1	72	GLU	HG2	H	1.56	0.02
752	1	72	GLU	HG3	H	1.49	0.02
753	1	72	GLU	C	C	173.5	0.2	1
754	1	72	GLU	CA	C	53.9	0.2	1
755	1	72	GLU	CB	C	32.9	0.2	1
756	1	72	GLU	CG	C	37.0	0.2	1
757	1	72	GLU	N	N	122.3	0.2	1
758	1	73	CYS	H	H	8.84	0.02	1
759	1	73	CYS	N	N	125.8	0.2	1
760	1	74	PRO	HA	H	4.12	0.02	1
761	1	74	PRO	HB2	H	2.31	0.02	2
762	1	74	PRO	HB3	H	1.87	0.02	2
763	1	74	PRO	HG2	H	1.98	0.02	2
764	1	74	PRO	HG3	H	1.86	0.02	2
765	1	74	PRO	HD2	H	3.71	0.02	2
766	1	74	PRO	HD3	H	3.61	0.02	2
767	1	74	PRO	C	C	177.7	0.2	1
768	1	74	PRO	CA	C	64.8	0.2	1
769	1	74	PRO	CB	C	31.6	0.2	1
770	1	74	PRO	CG	C	27.2	0.2	1
771	1	74	PRO	CD	C	50.6	0.2	1
772	1	75	GLY	H	H	8.66	0.02	1
773	1	75	GLY	HA2	H	4.19	0.02	2
774	1	75	GLY	HA3	H	3.57	0.02	2
775	1	75	GLY	CA	C	44.4	0.2	1
776	1	75	GLY	N	N	104.0	0.2	1
777	1	76	CYS	H	H	7.68	0.02	1
778	1	76	CYS	HA	H	4.61	0.02	1
779	1	76	CYS	HB2	H	3.24	0.02	2
780	1	76	CYS	HB3	H	3.24	0.02	2
781	1	76	CYS	C	C	176.5	0.2	1
782	1	76	CYS	CA	C	61.2	0.2	1
783	1	76	CYS	CB	C	35.7	0.2	1
784	1	76	CYS	N	N	120.3	0.2	1
785	1	77	GLY	H	H	9.15	0.02	1
786	1	77	GLY	HA2	H	4.44	0.02	2
787	1	77	GLY	HA3	H	3.95	0.02	2
788	1	77	GLY	C	C	171.9	0.2	1
789	1	77	GLY	CA	C	45.0	0.2	1
790	1	77	GLY	N	N	115.2	0.2	1
791	1	78	PRO	HA	H	4.28	0.02	1
792	1	78	PRO	HB2	H	2.28	0.02	2
793	1	78	PRO	HB3	H	1.87	0.02	2
794	1	78	PRO	HG2	H	2.09	0.02	2
795	1	78	PRO	HG3	H	2.09	0.02	2
796	1	78	PRO	HD2	H	3.72	0.02	2
797	1	78	PRO	HD3	H	3.72	0.02	2
798	1	78	PRO	C	C	176.9	0.2	1
799	1	78	PRO	CA	C	65.6	0.2	1
800	1	78	PRO	CB	C	31.8	0.2	1
801	1	78	PRO	CG	C	27.4	0.2	1
802	1	78	PRO	CD	C	48.8	0.2	1
803	1	79	ASN	H	H	8.45	0.02	1
804	1	79	ASN	HA	H	4.97	0.02	1
805	1	79	ASN	HB2	H	3.36	0.02	2
806	1	79	ASN	HB3	H	2.83	0.02	2
807	1	79	ASN	HD21	H	7.58	0.02	2
808	1	79	ASN	HD22	H	6.98	0.02	2
809	1	79	ASN	C	C	174.0	0.2	1
810	1	79	ASN	CA	C	53.3	0.2	1
811	1	79	ASN	CB	C	38.9	0.2	1
812	1	79	ASN	N	N	111.2	0.2	1
813	1	79	ASN	ND2	N	113.3	0.2	1
814	1	80	ASP	H	H	8.16	0.02	1
815	1	80	ASP	HA	H	5.41	0.02	1
816	1	80	ASP	HB2	H	2.99	0.02	2
817	1	80	ASP	HB3	H	2.51	0.02	2
818	1	80	ASP	C	C	174.4	0.2	1
819	1	80	ASP	CA	C	53.1	0.2	1
820	1	80	ASP	CB	C	43.4	0.2	1
821	1	80	ASP	N	N	122.5	0.2	1
822	1	81	ILE	H	H	8.36	0.02	1
823	1	81	ILE	HA	H	4.83	0.02	1
824	1	81	ILE	HB	H	1.27	0.02	1
825	1	81	ILE	HG12	H	1.17	0.02	2
826	1	81	ILE	HG13	H	0.30	0.02	2
827	1	81	ILE	HG21	H	-0.59	0.02	1
828	1	81	ILE	HG22	H	-0.59	0.02	1
829	1	81	ILE	HG23	H	-0.59	0.02	1
830	1	81	ILE	HD11	H	0.23	0.02	1
831	1	81	ILE	HD12	H	0.23	0.02	1
832	1	81	ILE	HD13	H	0.23	0.02	1
833	1	81	ILE	C	C	173.2	0.2	1
834	1	81	ILE	CA	C	59.6	0.2	1
835	1	81	ILE	CB	C	42.1	0.2	1
836	1	81	ILE	CG1	C	24.8	0.2	1
837	1	81	ILE	CG2	C	17.0	0.2	1
838	1	81	ILE	CD1	C	14.0	0.2	1
839	1	81	ILE	N	N	109.6	0.2	1
840	1	82	ASP	H	H	8.08	0.02	1
841	1	82	ASP	HA	H	5.42	0.02	1
842	1	82	ASP	HB2	H	2.45	0.02	2
843	1	82	ASP	HB3	H	2.22	0.02	2
844	1	82	ASP	C	C	176.0	0.2	1
845	1	82	ASP	CA	C	50.7	0.2	1
846	1	82	ASP	CB	C	44.3	0.2	1
847	1	82	ASP	N	N	125.1	0.2	1
848	1	83	MET	H	H	9.32	0.02	1
849	1	83	MET	HA	H	5.77	0.02	1
850	1	83	MET	HB2	H	2.50	0.02	2
851	1	83	MET	HB3	H	2.17	0.02	2
852	1	83	MET	HG2	H	2.68	0.02	2
853	1	83	MET	HG3	H	2.41	0.02	2
854	1	83	MET	HE1	H	1.97	0.02	1
855	1	83	MET	HE2	H	1.97	0.02	1
856	1	83	MET	HE3	H	1.97	0.02	1
857	1	83	MET	C	C	175.1	0.2	1
858	1	83	MET	CA	C	54.1	0.2	1
859	1	83	MET	CB	C	40.4	0.2	1
860	1	83	MET	CG	C	33.0	0.2	1
861	1	83	MET	CE	C	18.3	0.2	1
862	1	83	MET	N	N	121.7	0.2	1
863	1	84	THR	H	H	8.56	0.02	1
864	1	84	THR	HA	H	4.71	0.02	1
865	1	84	THR	HG21	H	1.09	0.02	1
866	1	84	THR	HG22	H	1.09	0.02	1
867	1	84	THR	HG23	H	1.09	0.02	1
868	1	84	THR	C	C	175.7	0.2	1
869	1	84	THR	CA	C	60.6	0.2	1
870	1	84	THR	CB	C	67.5	0.2	1
871	1	84	THR	CG2	C	26.8	0.2	1
872	1	84	THR	N	N	110.6	0.2	1
873	1	85	PRO	HA	H	3.86	0.02	1
874	1	85	PRO	HB2	H	1.82	0.02	2
875	1	85	PRO	HB3	H	1.74	0.02	2
876	1	85	PRO	HD2	H	3.69	0.02	2
877	1	85	PRO	HD3	H	3.69	0.02	2
878	1	85	PRO	C	C	177.2	0.2	1
879	1	85	PRO	CA	C	66.2	0.2	1
880	1	85	PRO	CB	C	31.9	0.2	1
881	1	85	PRO	CG	C	28.3	0.2	1
882	1	85	PRO	CD	C	50.2	0.2	1
883	1	86	GLY	H	H	8.88	0.02	1
884	1	86	GLY	HA2	H	3.76	0.02	2
885	1	86	GLY	HA3	H	3.76	0.02	2
886	1	86	GLY	C	C	175.6	0.2	1
887	1	86	GLY	CA	C	46.9	0.2	1
888	1	86	GLY	N	N	101.3	0.2	1
889	1	87	LEU	H	H	7.65	0.02	1
890	1	87	LEU	HA	H	4.45	0.02	1
891	1	87	LEU	HB2	H	2.14	0.02	2
892	1	87	LEU	HB3	H	1.03	0.02	2
893	1	87	LEU	HD11	H	0.76	0.02	2
894	1	87	LEU	HD12	H	0.76	0.02	2
895	1	87	LEU	HD13	H	0.76	0.02	2
896	1	87	LEU	HD21	H	0.70	0.02	2
897	1	87	LEU	HD22	H	0.70	0.02	2
898	1	87	LEU	HD23	H	0.70	0.02	2
899	1	87	LEU	C	C	176.5	0.2	1
900	1	87	LEU	CA	C	56.3	0.2	1
901	1	87	LEU	CB	C	43.5	0.2	1
902	1	87	LEU	CG	C	27.4	0.2	1
903	1	87	LEU	CD1	C	23.8	0.2	1
904	1	87	LEU	CD2	C	27.4	0.2	1
905	1	87	LEU	N	N	120.2	0.2	1
906	1	88	PHE	H	H	8.99	0.02	1
907	1	88	PHE	HA	H	3.73	0.02	1
908	1	88	PHE	HB2	H	2.85	0.02	2
909	1	88	PHE	HB3	H	2.81	0.02	2
910	1	88	PHE	HD1	H	6.82	0.02	3
911	1	88	PHE	HD2	H	6.82	0.02	3
912	1	88	PHE	HE1	H	7.35	0.02	3
913	1	88	PHE	HE2	H	7.35	0.02	3
914	1	88	PHE	HZ	H	7.02	0.02	1
915	1	88	PHE	C	C	178.0	0.2	1
916	1	88	PHE	CA	C	62.0	0.2	1
917	1	88	PHE	CB	C	40.6	0.2	1
918	1	88	PHE	CD1	C	132.7	0.2	3
919	1	88	PHE	CD2	C	132.7	0.2	3
920	1	88	PHE	CE1	C	130.8	0.2	3
921	1	88	PHE	CE2	C	130.8	0.2	3
922	1	88	PHE	CZ	C	130.3	0.2	1
923	1	88	PHE	N	N	120.5	0.2	1
924	1	89	GLN	H	H	9.07	0.02	1
925	1	89	GLN	HA	H	5.04	0.02	1
926	1	89	GLN	HB2	H	2.23	0.02	2
927	1	89	GLN	HB3	H	2.10	0.02	2
928	1	89	GLN	HG2	H	2.57	0.02	2
929	1	89	GLN	HG3	H	2.33	0.02	2
930	1	89	GLN	HE21	H	7.26	0.02	2
931	1	89	GLN	HE22	H	6.79	0.02	2
932	1	89	GLN	C	C	177.1	0.2	1
933	1	89	GLN	CA	C	57.0	0.2	1
934	1	89	GLN	CB	C	27.9	0.2	1
935	1	89	GLN	CG	C	33.8	0.2	1
936	1	89	GLN	N	N	111.7	0.2	1
937	1	89	GLN	NE2	N	110.4	0.2	1
938	1	90	GLN	H	H	7.60	0.02	1
939	1	90	GLN	HA	H	4.29	0.02	1
940	1	90	GLN	HB2	H	2.33	0.02	2
941	1	90	GLN	HB3	H	2.04	0.02	2
942	1	90	GLN	HG2	H	2.62	0.02	2
943	1	90	GLN	HG3	H	2.37	0.02	2
944	1	90	GLN	HE21	H	7.45	0.02	2
945	1	90	GLN	HE22	H	7.27	0.02	2
946	1	90	GLN	C	C	176.3	0.2	1
947	1	90	GLN	CA	C	57.3	0.2	1
948	1	90	GLN	CB	C	29.7	0.2	1
949	1	90	GLN	CG	C	34.8	0.2	1
950	1	90	GLN	N	N	116.9	0.2	1
951	1	90	GLN	NE2	N	111.0	0.2	1
952	1	91	LEU	H	H	7.96	0.02	1
953	1	91	LEU	HA	H	4.21	0.02	1
954	1	91	LEU	HB2	H	1.50	0.02	2
955	1	91	LEU	HB3	H	0.92	0.02	2
956	1	91	LEU	HG	H	0.49	0.02	1
957	1	91	LEU	HD11	H	0.58	0.02	2
958	1	91	LEU	HD12	H	0.58	0.02	2
959	1	91	LEU	HD13	H	0.58	0.02	2
960	1	91	LEU	HD21	H	0.58	0.02	2
961	1	91	LEU	HD22	H	0.58	0.02	2
962	1	91	LEU	HD23	H	0.58	0.02	2
963	1	91	LEU	C	C	176.2	0.2	1
964	1	91	LEU	CA	C	54.4	0.2	1
965	1	91	LEU	CB	C	45.3	0.2	1
966	1	91	LEU	CG	C	26.8	0.2	1
967	1	91	LEU	CD1	C	23.1	0.2	2
968	1	91	LEU	CD2	C	23.1	0.2	2
969	1	91	LEU	N	N	118.6	0.2	1
970	1	92	GLY	H	H	8.09	0.02	1
971	1	92	GLY	HA2	H	4.01	0.02	2
972	1	92	GLY	HA3	H	3.60	0.02	2
973	1	92	GLY	C	C	170.4	0.2	1
974	1	92	GLY	CA	C	45.0	0.2	1
975	1	92	GLY	N	N	109.7	0.2	1
976	1	93	SER	H	H	8.83	0.02	1
977	1	93	SER	HA	H	4.81	0.02	1
978	1	93	SER	HB2	H	4.03	0.02	2
979	1	93	SER	HB3	H	3.96	0.02	2
980	1	93	SER	C	C	177.4	0.2	1
981	1	93	SER	CA	C	56.7	0.2	1
982	1	93	SER	CB	C	63.7	0.2	1
983	1	93	SER	N	N	112.8	0.2	1
984	1	94	LEU	H	H	9.20	0.2	1
985	1	94	LEU	HA	H	3.87	0.02	1
986	1	94	LEU	HB2	H	1.57	0.02	2
987	1	94	LEU	HB3	H	1.14	0.02	2
988	1	94	LEU	HG	H	1.41	0.02	1
989	1	94	LEU	HD11	H	0.37	0.02	1
990	1	94	LEU	HD12	H	0.37	0.02	1
991	1	94	LEU	HD13	H	0.37	0.02	1
992	1	94	LEU	HD21	H	-0.21	0.02	1
993	1	94	LEU	HD22	H	-0.21	0.02	1
994	1	94	LEU	HD23	H	-0.21	0.02	1
995	1	94	LEU	C	C	179.4	0.2	1
996	1	94	LEU	CA	C	58.2	0.2	1
997	1	94	LEU	CB	C	41.0	0.2	1
998	1	94	LEU	CG	C	26.8	0.2	1
999	1	94	LEU	CD1	C	24.7	0.2	1
1000	1	94	LEU	CD2	C	21.5	0.2	1
1001	1	94	LEU	N	N	127.5	0.2	1
1002	1	95	ASP	H	H	8.25	0.02	1
1003	1	95	ASP	HA	H	4.49	0.02	1
1004	1	95	ASP	HB2	H	2.75	0.02	2
1005	1	95	ASP	HB3	H	2.70	0.02	2
1006	1	95	ASP	C	C	177.3	0.2	1
1007	1	95	ASP	CA	C	55.6	0.2	1
1008	1	95	ASP	CB	C	40.2	0.2	1
1009	1	95	ASP	N	N	115.8	0.2	1
1010	1	96	GLU	H	H	8.18	0.02	1
1011	1	96	GLU	HA	H	4.33	0.02	1
1012	1	96	GLU	HB2	H	2.34	0.02	2
1013	1	96	GLU	HB3	H	2.34	0.02	2
1014	1	96	GLU	HG2	H	2.50	0.02	2
1015	1	96	GLU	HG3	H	2.50	0.02	2
1016	1	96	GLU	C	C	179.7	0.2	1
1017	1	96	GLU	CA	C	58.4	0.2	1
1018	1	96	GLU	CB	C	30.5	0.2	1
1019	1	96	GLU	CG	C	37.4		1
1020	1	96	GLU	N	N	119.4	0.2	1
1021	1	97	GLY	H	H	7.72	0.02	1
1022	1	97	GLY	HA2	H	4.45	0.02	2
1023	1	97	GLY	HA3	H	3.55	0.02	2
1024	1	97	GLY	C	C	172.9	0.2	1
1025	1	97	GLY	CA	C	47.7	0.2	1
1026	1	97	GLY	N	N	105.8	0.2	1
1027	1	98	VAL	H	H	8.18	0.02	1
1028	1	98	VAL	HA	H	5.10	0.02	1
1029	1	98	VAL	HB	H	2.06	0.02	1
1030	1	98	VAL	HG11	H	0.99	0.02	1
1031	1	98	VAL	HG12	H	0.99	0.02	1
1032	1	98	VAL	HG13	H	0.99	0.02	1
1033	1	98	VAL	HG21	H	1.02	0.02	1
1034	1	98	VAL	HG22	H	1.02	0.02	1
1035	1	98	VAL	HG23	H	1.02	0.02	1
1036	1	98	VAL	C	C	174.0	0.2	1
1037	1	98	VAL	CA	C	60.5	0.2	1
1038	1	98	VAL	CB	C	34.6	0.2	1
1039	1	98	VAL	CG1	C	20.3	0.2	1
1040	1	98	VAL	CG2	C	21.1	0.2	1
1041	1	98	VAL	N	N	120.7	0.2	1
1042	1	99	LEU	H	H	9.34	0.02	1
1043	1	99	LEU	HA	H	4.85	0.02	1
1044	1	99	LEU	HB2	H	1.31	0.02	2
1045	1	99	LEU	HB3	H	1.24	0.02	2
1046	1	99	LEU	HD11	H	-0.25	0.02	1
1047	1	99	LEU	HD12	H	-0.25	0.02	1
1048	1	99	LEU	HD13	H	-0.25	0.02	1
1049	1	99	LEU	HD21	H	0.67	0.02	1
1050	1	99	LEU	HD22	H	0.67	0.02	1
1051	1	99	LEU	HD23	H	0.67	0.02	1
1052	1	99	LEU	C	C	177.3	0.2	1
1053	1	99	LEU	CA	C	52.4	0.2	1
1054	1	99	LEU	CB	C	45.6		1
1055	1	99	LEU	CD1	C	25.8	0.2	1
1056	1	99	LEU	CD2	C	21.7	0.2	1
1057	1	99	LEU	N	N	125.3	0.2	1
1058	1	100	THR	H	H	9.36	0.02	1
1059	1	100	THR	HA	H	4.89	0.02	1
1060	1	100	THR	HB	H	4.09	0.02	1
1061	1	100	THR	HG21	H	1.22	0.02	1
1062	1	100	THR	HG22	H	1.22	0.02	1
1063	1	100	THR	HG23	H	1.22	0.02	1
1064	1	100	THR	C	C	174.2	0.2	1
1065	1	100	THR	CA	C	62.7	0.2	1
1066	1	100	THR	CB	C	68.4	0.2	1
1067	1	100	THR	CG2	C	21.5	0.2	1
1068	1	100	THR	N	N	120.4	0.2	1
1069	1	101	VAL	H	H	9.16	0.02	1
1070	1	101	VAL	HA	H	5.79	0.02	1
1071	1	101	VAL	HB	H	2.04	0.02	1
1072	1	101	VAL	HG11	H	0.62	0.02	2
1073	1	101	VAL	HG12	H	0.62	0.02	2
1074	1	101	VAL	HG13	H	0.62	0.02	2
1075	1	101	VAL	HG21	H	0.74	0.02	2
1076	1	101	VAL	HG22	H	0.74	0.02	2
1077	1	101	VAL	HG23	H	0.74	0.02	2
1078	1	101	VAL	C	C	174.3	0.2	1
1079	1	101	VAL	CA	C	57.3	0.2	1
1080	1	101	VAL	CB	C	35.3	0.2	1
1081	1	101	VAL	CG1	C	22.6	0.2	1
1082	1	101	VAL	CG2	C	17.3	0.2	1
1083	1	101	VAL	N	N	117.4	0.2	1
1084	1	102	SER	H	H	9.02	0.02	1
1085	1	102	SER	HA	H	5.74	0.02	1
1086	1	102	SER	HB2	H	3.71	0.02	1
1087	1	102	SER	HB3	H	3.57	0.02	1
1088	1	102	SER	C	C	174.2	0.2	1
1089	1	102	SER	CA	C	55.2	0.2	1
1090	1	102	SER	CB	C	64.2	0.2	1
1091	1	102	SER	N	N	116.0	0.2	1
1092	1	103	TRP	H	H	9.59	0.02	1
1093	1	103	TRP	HA	H	5.93	0.02	1
1094	1	103	TRP	HB2	H	3.05	0.02	2
1095	1	103	TRP	HB3	H	3.05	0.02	2
1096	1	103	TRP	HD1	H	6.81	0.02	1
1097	1	103	TRP	HE1	H	10.06	0.02	1
1098	1	103	TRP	HE3	H	7.07	0.02	1
1099	1	103	TRP	HZ2	H	7.30	0.02	1
1100	1	103	TRP	HZ3	H	6.75	0.02	1
1101	1	103	TRP	HH2	H	7.11	0.02	1
1102	1	103	TRP	C	C	174.0	0.2	1
1103	1	103	TRP	CA	C	54.0	0.2	1
1104	1	103	TRP	CB	C	31.1	0.2	1
1105	1	103	TRP	CD1	C	127.1	0.2	1
1106	1	103	TRP	CE3	C	120.4	0.2	1
1107	1	103	TRP	CZ2	C	116.0	0.2	1
1108	1	103	TRP	CZ3	C	121.4	0.2	1
1109	1	103	TRP	CH2	C	124.4	0.2	1
1110	1	103	TRP	N	N	125.4	0.2	1
1111	1	103	TRP	NE1	N	130.1	0.2	1
1112	1	104	THR	H	H	8.41	0.02	1
1113	1	104	THR	HA	H	5.04	0.02	1
1114	1	104	THR	HB	H	3.87	0.02	1
1115	1	104	THR	HG21	H	1.09	0.02	1
1116	1	104	THR	HG22	H	1.09	0.02	1
1117	1	104	THR	HG23	H	1.09	0.02	1
1118	1	104	THR	C	C	171.9	0.2	1
1119	1	104	THR	CA	C	61.4	0.2	1
1120	1	104	THR	CB	C	71.5	0.2	1
1121	1	104	THR	CG2	C	21.5	0.2	1
1122	1	104	THR	N	N	117.1	0.2	1
1123	1	105	LEU	H	H	8.19	0.02	1
1124	1	105	LEU	HA	H	4.60	0.02	1
1125	1	105	LEU	HB2	H	1.71	0.02	2
1126	1	105	LEU	HB3	H	1.57	0.02	2
1127	1	105	LEU	HG	H	1.42	0.02	1
1128	1	105	LEU	HD11	H	0.82	0.02	1
1129	1	105	LEU	HD12	H	0.82	0.02	1
1130	1	105	LEU	HD13	H	0.82	0.02	1
1131	1	105	LEU	HD21	H	0.48	0.02	1
1132	1	105	LEU	HD22	H	0.48	0.02	1
1133	1	105	LEU	HD23	H	0.48	0.02	1
1134	1	105	LEU	C	C	180.2	0.2	1
1135	1	105	LEU	CA	C	56.8	0.2	1
1136	1	105	LEU	CB	C	46.2	0.2	1
1137	1	105	LEU	CG	C	27.8	0.2	1
1138	1	105	LEU	CD1	C	23.9	0.2	1
1139	1	105	LEU	CD2	C	26.0	0.2	1
1140	1	105	LEU	N	N	133.7	0.2	1

Release date

2024-07-02

Citation

Bio-SANS investigation of fungal loosenins reveal substrate dependent impacts of protein action on inter-fibril distance and packing order of cellulosic substrates
Buchko, G.W., Master, E.R.

Related entities 1. RlpA-like protein double-psi beta-barrel domain-containing protein, : 1 : 32 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian VNMRS - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±0.2) K, pH 7 (±0.1), Details 0.8 mM [U-99% 13C; U-99% 15N] PcaLOOL12, 100 mM sodium chloride, 20 mM TRIS, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
1	PcaLOOL12	[U-99% 13C; U-99% 15N]	0.8 mM
2	sodium chloride	natural abundance	100 mM
3	TRIS	natural abundance	20 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Varian VNMRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PcaLOOL12	[U-99% 13C; U-99% 15N]	0.8 mM
2	sodium chloride	natural abundance	100 mM
3	TRIS	natural abundance	20 mM

3 3D 1H-13C NOESY aliphatic

Instrument

Varian VNMRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PcaLOOL12	[U-99% 13C; U-99% 15N]	0.8 mM
2	sodium chloride	natural abundance	100 mM
3	TRIS	natural abundance	20 mM

4 3D 1H-13C NOESY aromatic

Instrument

Varian VNMRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PcaLOOL12	[U-99% 13C; U-99% 15N]	0.8 mM
2	sodium chloride	natural abundance	100 mM
3	TRIS	natural abundance	20 mM

5 3D 1H-15N NOESY

Instrument

Varian VNMRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PcaLOOL12	[U-99% 13C; U-99% 15N]	0.8 mM
2	sodium chloride	natural abundance	100 mM
3	TRIS	natural abundance	20 mM

6 3D C(CO)NH

Instrument

Varian VNMRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PcaLOOL12	[U-99% 13C; U-99% 15N]	0.8 mM
2	sodium chloride	natural abundance	100 mM
3	TRIS	natural abundance	20 mM

7 3D HNCACB

Instrument

Varian VNMRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PcaLOOL12	[U-99% 13C; U-99% 15N]	0.8 mM
2	sodium chloride	natural abundance	100 mM
3	TRIS	natural abundance	20 mM

8 3D CBCA(CO)NH

Instrument

Varian VNMRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PcaLOOL12	[U-99% 13C; U-99% 15N]	0.8 mM
2	sodium chloride	natural abundance	100 mM
3	TRIS	natural abundance	20 mM

9 3D HNCA

Instrument

Varian VNMRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PcaLOOL12	[U-99% 13C; U-99% 15N]	0.8 mM
2	sodium chloride	natural abundance	100 mM
3	TRIS	natural abundance	20 mM

10 3D HNCO

Instrument

Varian VNMRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PcaLOOL12	[U-99% 13C; U-99% 15N]	0.8 mM
2	sodium chloride	natural abundance	100 mM
3	TRIS	natural abundance	20 mM

11 2D 1H-13C HSQC aliphatic

Instrument

Varian VNMRS - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±0.2) K, pH 7 (±0.1), Details 0.8 mM [U-10% 13C; U-99% 15N] PcaLOOL12, 100 mM sodium chloride, 20 mM TRIS, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
4	PcaLOOL12	[U-10% 13C; U-99% 15N]	0.8 mM
5	sodium chloride	natural abundance	100 mM
6	TRIS	natural abundance	20 mM

12 Deuterium exchange

Instrument

Varian VNMRS - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±0.2) K, pH 7 (±0.1), Details 0.4 mM [U-99% 15N] PcaLOOL12, 100 mM sodium chloride, 20 mM TRIS, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
7	PcaLOOL12	[U-99% 15N]	0.4 mM
8	sodium chloride	natural abundance	100 mM
9	TRIS	natural abundance	20 mM

13 3D 1H-15N TOCSY

Instrument

Varian VNMRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PcaLOOL12	[U-99% 13C; U-99% 15N]	0.8 mM
2	sodium chloride	natural abundance	100 mM
3	TRIS	natural abundance	20 mM

14 2D 1H-13C HSQC aromatic

Instrument

Varian VNMRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PcaLOOL12	[U-99% 13C; U-99% 15N]	0.8 mM
2	sodium chloride	natural abundance	100 mM
3	TRIS	natural abundance	20 mM

15 3D HNCACO

Instrument

Varian VNMRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PcaLOOL12	[U-99% 13C; U-99% 15N]	0.8 mM
2	sodium chloride	natural abundance	100 mM
3	TRIS	natural abundance	20 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr31180_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Error

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:26:CYS:SG	1:50:CYS:SG	oxidized, CA 55.5, CB 39.4 ppm	oxidized, CA 60.3, CB 40.1 ppm	n/a
1:73:CYS:SG	1:76:CYS:SG	unknown	oxidized, CA 61.2, CB 35.7 ppm	n/a

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr31180_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1140		98.1 (chain: 1, length: 105)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 105, Sequence coverage: 98.1%
- Total number of assignments
  - ¹H chemical shifts: 629
  - ¹³C chemical shifts: 404
  - ¹⁵N chemical shifts: 107
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	544	511	93.9
¹³C chemical shifts	423	404	95.5
¹⁵N chemical shifts	111	107	96.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	221	210	95.0
¹³C chemical shifts	210	199	94.8
¹⁵N chemical shifts	100	96	96.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	323	301	93.2
¹³C chemical shifts	213	205	96.2
¹⁵N chemical shifts	11	11	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	60	59	98.3
¹³C chemical shifts	60	60	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	35	31	88.6
¹³C chemical shifts	32	28	87.5
¹⁵N chemical shifts	3	3	100.0

Keywords Carbohydrate-active enzymes, Cellulose, Defibrillation, Expansin, Non-lytic, SUGAR BINDING PROTEIN

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Found 1 Document (0.453 seconds)

BMRB: 31180

Related entities 1. RlpA-like protein double-psi beta-barrel domain-containing protein, : 1 : 32 entities Detail

Experiments performed 15 experiments Detail

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Chemical shift validation 3 contents Detail