BMRBj - BMREntryMaster

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BMRB: 34813

8OX2

BRICHOS trimer

Authors

Ghosh, D., Torres, F., Guentert, P., Riek, R.

Assembly

Pulmonary surfactant-associated protein C (Fragment)

Entity

1. Pulmonary surfactant-associated protein C (Fragment) (polymer, Thiol state: all disulfide bound), 114 monomers, 11998.67 × 3 Da Detail

GSEHLVTTAT FSIGSTGLVV YDYQQLLIAY KPAPGTCCYI MKIAPESIPS LEALTRKVHN FQMECSLQAK PAVPTSKLGQ AEGRDAGSAP SGGDPAFLGM AVSTLCGEVP LYYI

Total weight

35996.008 Da

Max. entity weight

11998.67 Da

Entity Connection

disulfide 6 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS37:SG	1:CYS65:SG
2	disulfide	sing	1:CYS38:SG	1:CYS106:SG
3	disulfide	sing	1:CYS37:SG	1:CYS65:SG
4	disulfide	sing	1:CYS38:SG	1:CYS106:SG
5	disulfide	sing	1:CYS37:SG	1:CYS65:SG
6	disulfide	sing	1:CYS38:SG	1:CYS106:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 623, ¹³C: 280, ¹⁵N: 98 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	3	GLU	H	H	8.753	0.020	1
2	1	3	GLU	CA	C	57.403	0.400	1
3	1	3	GLU	CB	C	29.374	0.400	1
4	1	3	GLU	N	N	123.155	0.400	1
5	1	4	HIS	H	H	8.184	0.020	1
6	1	4	HIS	HA	H	4.421	0.020	1
7	1	4	HIS	HB2	H	1.888	0.020	2
8	1	4	HIS	HB3	H	2.065	0.020	2
9	1	4	HIS	CA	C	56.407	0.400	1
10	1	4	HIS	CB	C	30.288	0.400	1
11	1	4	HIS	N	N	120.190	0.400	1
12	1	5	LEU	H	H	8.029	0.020	1
13	1	5	LEU	HA	H	4.401	0.020	1
14	1	5	LEU	HB2	H	1.564	0.020	2
15	1	5	LEU	HB3	H	1.599	0.020	2
16	1	5	LEU	HG	H	1.436	0.020	1
17	1	5	LEU	HD11	H	0.869	0.020	2
18	1	5	LEU	HD12	H	0.869	0.020	2
19	1	5	LEU	HD13	H	0.869	0.020	2
20	1	5	LEU	HD21	H	0.830	0.020	2
21	1	5	LEU	HD22	H	0.830	0.020	2
22	1	5	LEU	HD23	H	0.830	0.020	2
23	1	5	LEU	CA	C	54.756	0.400	1
24	1	5	LEU	CB	C	42.206	0.400	1
25	1	5	LEU	CG	C	26.923	0.400	1
26	1	5	LEU	CD1	C	25.053	0.400	1
27	1	5	LEU	CD2	C	23.890	0.400	1
28	1	5	LEU	N	N	123.613	0.400	1
29	1	6	VAL	H	H	7.991	0.020	1
30	1	6	VAL	HA	H	4.239	0.020	1
31	1	6	VAL	HB	H	2.099	0.020	1
32	1	6	VAL	HG11	H	0.979	0.020	2
33	1	6	VAL	HG12	H	0.979	0.020	2
34	1	6	VAL	HG13	H	0.979	0.020	2
35	1	6	VAL	HG21	H	0.962	0.020	2
36	1	6	VAL	HG22	H	0.962	0.020	2
37	1	6	VAL	HG23	H	0.962	0.020	2
38	1	6	VAL	CA	C	61.902	0.400	1
39	1	6	VAL	CG1	C	21.172	0.400	1
40	1	6	VAL	CG2	C	21.855	0.400	1
41	1	6	VAL	N	N	122.292	0.400	1
42	1	7	THR	H	H	8.364	0.020	1
43	1	7	THR	HB	H	4.428	0.020	1
44	1	7	THR	HG21	H	1.354	0.020	1
45	1	7	THR	HG22	H	1.354	0.020	1
46	1	7	THR	HG23	H	1.354	0.020	1
47	1	7	THR	CA	C	62.306	0.400	1
48	1	7	THR	CB	C	70.147	0.400	1
49	1	7	THR	CG2	C	22.245	0.400	1
50	1	7	THR	N	N	118.648	0.400	1
51	1	8	THR	H	H	8.068	0.020	1
52	1	8	THR	HA	H	5.424	0.020	1
53	1	8	THR	HB	H	4.099	0.020	1
54	1	8	THR	HG21	H	1.283	0.020	1
55	1	8	THR	HG22	H	1.283	0.020	1
56	1	8	THR	HG23	H	1.283	0.020	1
57	1	8	THR	CA	C	60.966	0.400	1
58	1	8	THR	CB	C	72.933	0.400	1
59	1	8	THR	CG2	C	21.917	0.400	1
60	1	8	THR	N	N	112.786	0.400	1
61	1	9	ALA	H	H	8.678	0.020	1
62	1	9	ALA	HA	H	4.519	0.020	1
63	1	9	ALA	HB1	H	1.349	0.020	1
64	1	9	ALA	HB2	H	1.349	0.020	1
65	1	9	ALA	HB3	H	1.349	0.020	1
66	1	9	ALA	CA	C	52.366	0.400	1
67	1	9	ALA	CB	C	24.137	0.400	1
68	1	9	ALA	N	N	122.376	0.400	1
69	1	10	THR	H	H	6.888	0.020	1
70	1	10	THR	HA	H	4.875	0.020	1
71	1	10	THR	HB	H	3.812	0.020	1
72	1	10	THR	HG21	H	1.123	0.020	1
73	1	10	THR	HG22	H	1.123	0.020	1
74	1	10	THR	HG23	H	1.123	0.020	1
75	1	10	THR	CB	C	70.515	0.400	1
76	1	10	THR	CG2	C	23.286	0.400	1
77	1	10	THR	N	N	113.634	0.400	1
78	1	11	PHE	H	H	8.951	0.020	1
79	1	11	PHE	HA	H	4.885	0.020	1
80	1	11	PHE	HB2	H	3.801	0.020	2
81	1	11	PHE	HB3	H	3.801	0.020	2
82	1	11	PHE	HE1	H	6.786	0.020	3
83	1	11	PHE	HE2	H	6.786	0.020	3
84	1	11	PHE	HZ	H	6.834	0.020	1
85	1	11	PHE	CA	C	56.228	0.400	1
86	1	11	PHE	CB	C	44.050	0.400	1
87	1	11	PHE	N	N	117.859	0.400	1
88	1	12	SER	H	H	6.579	0.020	1
89	1	12	SER	HA	H	5.242	0.020	1
90	1	12	SER	HB2	H	3.973	0.020	2
91	1	12	SER	HB3	H	3.973	0.020	2
92	1	12	SER	CA	C	57.433	0.400	1
93	1	12	SER	CB	C	65.069	0.400	1
94	1	12	SER	N	N	115.493	0.400	1
95	1	13	ILE	H	H	7.684	0.020	1
96	1	13	ILE	HA	H	4.242	0.020	1
97	1	13	ILE	HB	H	1.602	0.020	1
98	1	13	ILE	HG12	H	1.427	0.020	2
99	1	13	ILE	HG13	H	0.967	0.020	2
100	1	13	ILE	HG21	H	0.821	0.020	1
101	1	13	ILE	HG22	H	0.821	0.020	1
102	1	13	ILE	HG23	H	0.821	0.020	1
103	1	13	ILE	HD11	H	0.550	0.020	1
104	1	13	ILE	HD12	H	0.550	0.020	1
105	1	13	ILE	HD13	H	0.550	0.020	1
106	1	13	ILE	CA	C	60.816	0.400	1
107	1	13	ILE	CB	C	42.021	0.400	1
108	1	13	ILE	CG1	C	26.924	0.400	1
109	1	13	ILE	CG2	C	17.094	0.400	1
110	1	13	ILE	CD1	C	13.688	0.400	1
111	1	13	ILE	N	N	119.384	0.400	1
112	1	14	GLY	H	H	8.445	0.020	1
113	1	14	GLY	HA2	H	3.822	0.020	2
114	1	14	GLY	HA3	H	3.826	0.020	2
115	1	14	GLY	CA	C	45.397	0.400	1
116	1	14	GLY	N	N	113.472	0.400	1
117	1	16	THR	HA	H	4.000	0.020	1
118	1	16	THR	HB	H	4.543	0.020	1
119	1	16	THR	HG21	H	1.205	0.020	1
120	1	16	THR	HG22	H	1.205	0.020	1
121	1	16	THR	HG23	H	1.205	0.020	1
122	1	16	THR	CG2	C	20.582	0.400	1
123	1	17	GLY	H	H	7.919	0.020	1
124	1	17	GLY	HA2	H	4.471	0.020	2
125	1	17	GLY	HA3	H	4.468	0.020	2
126	1	17	GLY	CA	C	46.620	0.400	1
127	1	17	GLY	N	N	113.967	0.400	1
128	1	18	LEU	H	H	8.329	0.020	1
129	1	18	LEU	HA	H	5.281	0.020	1
130	1	18	LEU	HD11	H	1.125	0.020	2
131	1	18	LEU	HD12	H	1.125	0.020	2
132	1	18	LEU	HD13	H	1.125	0.020	2
133	1	18	LEU	HD21	H	1.248	0.020	2
134	1	18	LEU	HD22	H	1.248	0.020	2
135	1	18	LEU	HD23	H	1.248	0.020	2
136	1	18	LEU	CA	C	54.302	0.400	1
137	1	18	LEU	CB	C	48.648	0.400	1
138	1	18	LEU	CD1	C	26.909	0.400	1
139	1	18	LEU	CD2	C	24.369	0.400	1
140	1	18	LEU	N	N	124.636	0.400	1
141	1	19	VAL	H	H	8.901	0.020	1
142	1	19	VAL	HA	H	5.735	0.020	1
143	1	19	VAL	HB	H	2.002	0.020	1
144	1	19	VAL	HG11	H	0.966	0.020	2
145	1	19	VAL	HG12	H	0.966	0.020	2
146	1	19	VAL	HG13	H	0.966	0.020	2
147	1	19	VAL	HG21	H	1.132	0.020	2
148	1	19	VAL	HG22	H	1.132	0.020	2
149	1	19	VAL	HG23	H	1.132	0.020	2
150	1	19	VAL	CA	C	58.220	0.400	1
151	1	19	VAL	CB	C	36.397	0.400	1
152	1	19	VAL	CG1	C	22.755	0.400	1
153	1	19	VAL	CG2	C	22.106	0.400	1
154	1	19	VAL	N	N	118.008	0.400	1
155	1	20	VAL	H	H	8.992	0.020	1
156	1	20	VAL	HB	H	1.872	0.020	1
157	1	20	VAL	HG11	H	1.131	0.020	2
158	1	20	VAL	HG12	H	1.131	0.020	2
159	1	20	VAL	HG13	H	1.131	0.020	2
160	1	20	VAL	HG21	H	0.776	0.020	2
161	1	20	VAL	HG22	H	0.776	0.020	2
162	1	20	VAL	HG23	H	0.776	0.020	2
163	1	20	VAL	CA	C	61.097	0.400	1
164	1	20	VAL	CB	C	35.103	0.400	1
165	1	20	VAL	CG1	C	22.772	0.400	1
166	1	20	VAL	CG2	C	21.491	0.400	1
167	1	20	VAL	N	N	124.955	0.400	1
168	1	21	TYR	H	H	9.182	0.020	1
169	1	21	TYR	HA	H	5.396	0.020	1
170	1	21	TYR	HD1	H	6.990	0.020	3
171	1	21	TYR	HD2	H	6.990	0.020	3
172	1	21	TYR	HE1	H	6.524	0.020	3
173	1	21	TYR	HE2	H	6.524	0.020	3
174	1	21	TYR	CA	C	52.462	0.400	1
175	1	21	TYR	CB	C	39.365	0.400	1
176	1	21	TYR	N	N	127.461	0.400	1
177	1	22	ASP	H	H	8.812	0.020	1
178	1	22	ASP	CA	C	57.603	0.400	1
179	1	22	ASP	CB	C	41.368	0.400	1
180	1	22	ASP	N	N	123.292	0.400	1
181	1	23	TYR	H	H	7.834	0.020	1
182	1	23	TYR	HD1	H	6.903	0.020	3
183	1	23	TYR	HD2	H	6.903	0.020	3
184	1	23	TYR	HE1	H	6.491	0.020	3
185	1	23	TYR	HE2	H	6.491	0.020	3
186	1	23	TYR	CB	C	38.059	0.400	1
187	1	23	TYR	N	N	122.443	0.400	1
188	1	24	GLN	H	H	8.355	0.020	1
189	1	24	GLN	CA	C	58.276	0.400	1
190	1	24	GLN	CB	C	29.046	0.400	1
191	1	24	GLN	N	N	118.458	0.400	1
192	1	25	GLN	H	H	8.295	0.020	1
193	1	25	GLN	HA	H	4.075	0.020	1
194	1	25	GLN	HB2	H	2.154	0.020	2
195	1	25	GLN	HB3	H	2.154	0.020	2
196	1	25	GLN	HG2	H	2.277	0.020	2
197	1	25	GLN	HG3	H	2.447	0.020	2
198	1	25	GLN	HE21	H	7.503	0.020	2
199	1	25	GLN	HE22	H	6.684	0.020	2
200	1	25	GLN	CB	C	29.149	0.400	1
201	1	25	GLN	CG	C	34.482	0.400	1
202	1	25	GLN	N	N	117.045	0.400	1
203	1	26	LEU	H	H	7.636	0.020	1
204	1	26	LEU	HA	H	3.618	0.020	1
205	1	26	LEU	HB2	H	1.828	0.020	2
206	1	26	LEU	HB3	H	2.050	0.020	2
207	1	26	LEU	HG	H	1.546	0.020	1
208	1	26	LEU	HD11	H	0.966	0.020	2
209	1	26	LEU	HD12	H	0.966	0.020	2
210	1	26	LEU	HD13	H	0.966	0.020	2
211	1	26	LEU	HD21	H	0.783	0.020	2
212	1	26	LEU	HD22	H	0.783	0.020	2
213	1	26	LEU	HD23	H	0.783	0.020	2
214	1	26	LEU	CA	C	55.467	0.400	1
215	1	26	LEU	CB	C	36.573	0.400	1
216	1	26	LEU	CG	C	26.374	0.400	1
217	1	26	LEU	CD1	C	26.383	0.400	1
218	1	26	LEU	CD2	C	22.687	0.400	1
219	1	26	LEU	N	N	117.285	0.400	1
220	1	27	LEU	H	H	8.060	0.020	1
221	1	27	LEU	HA	H	5.102	0.020	1
222	1	27	LEU	HB2	H	1.497	0.020	2
223	1	27	LEU	HB3	H	1.497	0.020	2
224	1	27	LEU	HG	H	1.523	0.020	1
225	1	27	LEU	HD11	H	0.804	0.020	2
226	1	27	LEU	HD12	H	0.804	0.020	2
227	1	27	LEU	HD13	H	0.804	0.020	2
228	1	27	LEU	HD21	H	0.822	0.020	2
229	1	27	LEU	HD22	H	0.822	0.020	2
230	1	27	LEU	HD23	H	0.822	0.020	2
231	1	27	LEU	CA	C	53.944	0.400	1
232	1	27	LEU	CB	C	46.533	0.400	1
233	1	27	LEU	CG	C	26.001	0.400	1
234	1	27	LEU	CD1	C	25.435	0.400	1
235	1	27	LEU	CD2	C	25.954	0.400	1
236	1	27	LEU	N	N	119.281	0.400	1
237	1	28	ILE	H	H	8.774	0.020	1
238	1	28	ILE	HA	H	4.644	0.020	1
239	1	28	ILE	HB	H	1.147	0.020	1
240	1	28	ILE	HG12	H	-0.124	0.020	2
241	1	28	ILE	HG13	H	1.136	0.020	2
242	1	28	ILE	HG21	H	0.312	0.020	1
243	1	28	ILE	HG22	H	0.312	0.020	1
244	1	28	ILE	HG23	H	0.312	0.020	1
245	1	28	ILE	HD11	H	0.344	0.020	1
246	1	28	ILE	HD12	H	0.344	0.020	1
247	1	28	ILE	HD13	H	0.344	0.020	1
248	1	28	ILE	CA	C	59.587	0.400	1
249	1	28	ILE	CB	C	41.605	0.400	1
250	1	28	ILE	CG1	C	27.161	0.400	1
251	1	28	ILE	CG2	C	17.914	0.400	1
252	1	28	ILE	CD1	C	15.980	0.400	1
253	1	28	ILE	N	N	120.566	0.400	1
254	1	29	ALA	H	H	8.761	0.020	1
255	1	29	ALA	HA	H	5.545	0.020	1
256	1	29	ALA	HB1	H	1.201	0.020	1
257	1	29	ALA	HB2	H	1.201	0.020	1
258	1	29	ALA	HB3	H	1.201	0.020	1
259	1	29	ALA	CA	C	49.537	0.400	1
260	1	29	ALA	CB	C	23.903	0.400	1
261	1	29	ALA	N	N	127.933	0.400	1
262	1	30	TYR	H	H	9.282	0.020	1
263	1	30	TYR	HA	H	5.443	0.020	1
264	1	30	TYR	HD1	H	6.921	0.020	3
265	1	30	TYR	HD2	H	6.921	0.020	3
266	1	30	TYR	HE1	H	6.578	0.020	3
267	1	30	TYR	HE2	H	6.578	0.020	3
268	1	30	TYR	CA	C	55.273	0.400	1
269	1	30	TYR	CB	C	41.914	0.400	1
270	1	30	TYR	N	N	122.702	0.400	1
271	1	31	LYS	H	H	8.730	0.020	1
272	1	31	LYS	CA	C	51.473	0.400	1
273	1	31	LYS	CB	C	37.008	0.400	1
274	1	31	LYS	N	N	132.599	0.400	1
275	1	32	PRO	HA	H	4.356	0.020	1
276	1	33	ALA	H	H	6.729	0.020	1
277	1	33	ALA	HA	H	4.491	0.020	1
278	1	33	ALA	HB1	H	1.399	0.020	1
279	1	33	ALA	HB2	H	1.399	0.020	1
280	1	33	ALA	HB3	H	1.399	0.020	1
281	1	33	ALA	CA	C	51.231	0.400	1
282	1	33	ALA	CB	C	18.788	0.400	1
283	1	33	ALA	N	N	114.789	0.400	1
284	1	34	PRO	HA	H	3.550	0.020	1
285	1	34	PRO	CA	C	64.407	0.400	1
286	1	34	PRO	CB	C	31.501	0.400	1
287	1	35	GLY	H	H	10.454	0.020	1
288	1	35	GLY	HA2	H	4.317	0.020	2
289	1	35	GLY	HA3	H	4.401	0.020	2
290	1	35	GLY	CA	C	46.490	0.400	1
291	1	35	GLY	N	N	113.105	0.400	1
292	1	36	THR	H	H	6.662	0.020	1
293	1	36	THR	HB	H	5.489	0.020	1
294	1	36	THR	HG21	H	1.100	0.020	1
295	1	36	THR	HG22	H	1.100	0.020	1
296	1	36	THR	HG23	H	1.100	0.020	1
297	1	36	THR	CG2	C	22.015	0.400	1
298	1	36	THR	N	N	107.441	0.400	1
299	1	37	CYS	H	H	9.244	0.020	1
300	1	37	CYS	N	N	118.338	0.400	1
301	1	38	CYS	H	H	8.359	0.020	1
302	1	38	CYS	HA	H	5.210	0.020	1
303	1	38	CYS	HB2	H	2.586	0.020	2
304	1	38	CYS	HB3	H	2.665	0.020	2
305	1	38	CYS	CA	C	53.659	0.400	1
306	1	38	CYS	CB	C	47.714	0.400	1
307	1	38	CYS	N	N	113.174	0.400	1
308	1	39	TYR	H	H	9.303	0.020	1
309	1	39	TYR	HA	H	5.151	0.020	1
310	1	39	TYR	HD1	H	6.943	0.020	3
311	1	39	TYR	HD2	H	6.943	0.020	3
312	1	39	TYR	HE1	H	6.582	0.020	3
313	1	39	TYR	HE2	H	6.582	0.020	3
314	1	39	TYR	CA	C	57.493	0.400	1
315	1	39	TYR	CB	C	40.678	0.400	1
316	1	39	TYR	N	N	120.740	0.400	1
317	1	40	ILE	H	H	9.003	0.020	1
318	1	40	ILE	HA	H	4.962	0.020	1
319	1	40	ILE	HB	H	1.479	0.020	1
320	1	40	ILE	HG12	H	1.011	0.020	2
321	1	40	ILE	HG13	H	1.011	0.020	2
322	1	40	ILE	HG21	H	0.777	0.020	1
323	1	40	ILE	HG22	H	0.777	0.020	1
324	1	40	ILE	HG23	H	0.777	0.020	1
325	1	40	ILE	HD11	H	0.564	0.020	1
326	1	40	ILE	HD12	H	0.564	0.020	1
327	1	40	ILE	HD13	H	0.564	0.020	1
328	1	40	ILE	CA	C	58.158	0.400	1
329	1	40	ILE	CB	C	36.608	0.400	1
330	1	40	ILE	CG2	C	18.264	0.400	1
331	1	40	ILE	CD1	C	10.982	0.400	1
332	1	40	ILE	N	N	123.967	0.400	1
333	1	41	MET	H	H	9.181	0.020	1
334	1	41	MET	HA	H	4.797	0.020	1
335	1	41	MET	HB2	H	1.758	0.020	2
336	1	41	MET	HB3	H	1.944	0.020	2
337	1	41	MET	HG2	H	2.139	0.020	2
338	1	41	MET	HG3	H	2.561	0.020	2
339	1	41	MET	HE1	H	1.766	0.020	1
340	1	41	MET	HE2	H	1.766	0.020	1
341	1	41	MET	HE3	H	1.766	0.020	1
342	1	41	MET	CA	C	53.906	0.400	1
343	1	41	MET	CB	C	37.445	0.400	1
344	1	41	MET	CG	C	32.360	0.400	1
345	1	41	MET	CE	C	17.280	0.400	1
346	1	41	MET	N	N	127.239	0.400	1
347	1	42	LYS	H	H	8.822	0.020	1
348	1	42	LYS	HA	H	4.657	0.020	1
349	1	42	LYS	HB2	H	1.748	0.020	2
350	1	42	LYS	HB3	H	1.906	0.020	2
351	1	42	LYS	HG2	H	1.572	0.020	2
352	1	42	LYS	HG3	H	1.614	0.020	2
353	1	42	LYS	HD2	H	1.762	0.020	2
354	1	42	LYS	HD3	H	1.811	0.020	2
355	1	42	LYS	HE2	H	3.036	0.020	2
356	1	42	LYS	HE3	H	3.036	0.020	2
357	1	42	LYS	CA	C	56.090	0.400	1
358	1	42	LYS	CB	C	32.774	0.400	1
359	1	42	LYS	CG	C	24.500	0.400	1
360	1	42	LYS	CD	C	28.522	0.400	1
361	1	42	LYS	CE	C	41.895	0.400	1
362	1	42	LYS	N	N	123.912	0.400	1
363	1	43	ILE	H	H	7.583	0.020	1
364	1	43	ILE	HA	H	4.460	0.020	1
365	1	43	ILE	HB	H	1.730	0.020	1
366	1	43	ILE	HG12	H	1.117	0.020	2
367	1	43	ILE	HG13	H	1.117	0.020	2
368	1	43	ILE	HG21	H	0.782	0.020	1
369	1	43	ILE	HG22	H	0.782	0.020	1
370	1	43	ILE	HG23	H	0.782	0.020	1
371	1	43	ILE	HD11	H	0.707	0.020	1
372	1	43	ILE	HD12	H	0.707	0.020	1
373	1	43	ILE	HD13	H	0.707	0.020	1
374	1	43	ILE	CA	C	59.647	0.400	1
375	1	43	ILE	CB	C	40.444	0.400	1
376	1	43	ILE	CG1	C	26.206	0.400	1
377	1	43	ILE	CG2	C	19.169	0.400	1
378	1	43	ILE	CD1	C	13.646	0.400	1
379	1	43	ILE	N	N	118.841	0.400	1
380	1	44	ALA	H	H	8.196	0.020	1
381	1	44	ALA	HA	H	4.768	0.020	1
382	1	44	ALA	HB1	H	1.377	0.020	1
383	1	44	ALA	HB2	H	1.377	0.020	1
384	1	44	ALA	HB3	H	1.377	0.020	1
385	1	44	ALA	CA	C	49.443	0.400	1
386	1	44	ALA	CB	C	18.971	0.400	1
387	1	44	ALA	N	N	126.599	0.400	1
388	1	45	PRO	HA	H	4.041	0.020	1
389	1	45	PRO	HB2	H	2.344	0.020	2
390	1	45	PRO	HB3	H	1.968	0.020	2
391	1	45	PRO	HD2	H	3.792	0.020	2
392	1	45	PRO	HD3	H	3.792	0.020	2
393	1	45	PRO	CA	C	65.073	0.400	1
394	1	45	PRO	CB	C	31.700	0.400	1
395	1	46	GLU	H	H	8.776	0.020	1
396	1	46	GLU	HA	H	4.256	0.020	1
397	1	46	GLU	HB2	H	2.092	0.020	2
398	1	46	GLU	HB3	H	1.999	0.020	2
399	1	46	GLU	HG2	H	2.215	0.020	2
400	1	46	GLU	HG3	H	2.215	0.020	2
401	1	46	GLU	CA	C	57.064	0.400	1
402	1	46	GLU	CB	C	28.550	0.400	1
403	1	46	GLU	CG	C	35.966	0.400	1
404	1	46	GLU	N	N	114.999	0.400	1
405	1	47	SER	H	H	7.819	0.020	1
406	1	47	SER	HA	H	4.557	0.020	1
407	1	47	SER	HB2	H	3.642	0.020	2
408	1	47	SER	HB3	H	3.691	0.020	2
409	1	47	SER	CA	C	56.648	0.400	1
410	1	47	SER	CB	C	63.120	0.400	1
411	1	47	SER	N	N	116.760	0.400	1
412	1	48	ILE	H	H	8.433	0.020	1
413	1	48	ILE	HA	H	4.163	0.020	1
414	1	48	ILE	HB	H	1.896	0.020	1
415	1	48	ILE	HG12	H	1.014	0.020	2
416	1	48	ILE	HG13	H	1.875	0.020	2
417	1	48	ILE	HG21	H	1.095	0.020	1
418	1	48	ILE	HG22	H	1.095	0.020	1
419	1	48	ILE	HG23	H	1.095	0.020	1
420	1	48	ILE	HD11	H	1.002	0.020	1
421	1	48	ILE	HD12	H	1.002	0.020	1
422	1	48	ILE	HD13	H	1.002	0.020	1
423	1	48	ILE	CA	C	59.733	0.400	1
424	1	48	ILE	CB	C	38.128	0.400	1
425	1	48	ILE	CG1	C	27.777	0.400	1
426	1	48	ILE	CG2	C	17.235	0.400	1
427	1	48	ILE	CD1	C	13.432	0.400	1
428	1	48	ILE	N	N	127.470	0.400	1
429	1	49	PRO	HA	H	4.456	0.020	1
430	1	49	PRO	HB2	H	2.169	0.020	2
431	1	49	PRO	HB3	H	1.859	0.020	2
432	1	49	PRO	HG2	H	1.955	0.020	2
433	1	49	PRO	HG3	H	1.955	0.020	2
434	1	49	PRO	HD2	H	3.624	0.020	2
435	1	49	PRO	HD3	H	3.624	0.020	2
436	1	49	PRO	CA	C	62.910	0.400	1
437	1	49	PRO	CB	C	30.997	0.400	1
438	1	50	SER	H	H	8.629	0.020	1
439	1	50	SER	CA	C	58.568	0.400	1
440	1	50	SER	CB	C	64.480	0.400	1
441	1	50	SER	N	N	121.947	0.400	1
442	1	51	LEU	H	H	8.236	0.020	1
443	1	51	LEU	N	N	122.784	0.400	1
444	1	52	GLU	H	H	8.709	0.020	1
445	1	52	GLU	HA	H	3.324	0.020	1
446	1	52	GLU	CA	C	59.580	0.400	1
447	1	52	GLU	CB	C	29.075	0.400	1
448	1	52	GLU	N	N	121.258	0.400	1
449	1	53	ALA	H	H	7.922	0.020	1
450	1	53	ALA	HA	H	3.835	0.020	1
451	1	53	ALA	HB1	H	1.426	0.020	1
452	1	53	ALA	HB2	H	1.426	0.020	1
453	1	53	ALA	HB3	H	1.426	0.020	1
454	1	53	ALA	CA	C	54.964	0.400	1
455	1	53	ALA	CB	C	18.298	0.400	1
456	1	53	ALA	N	N	124.048	0.400	1
457	1	54	LEU	H	H	8.855	0.020	1
458	1	54	LEU	HA	H	3.793	0.020	1
459	1	54	LEU	HB2	H	1.410	0.020	2
460	1	54	LEU	HB3	H	1.410	0.020	2
461	1	54	LEU	HG	H	1.814	0.020	1
462	1	54	LEU	HD11	H	0.602	0.020	2
463	1	54	LEU	HD12	H	0.602	0.020	2
464	1	54	LEU	HD13	H	0.602	0.020	2
465	1	54	LEU	HD21	H	0.794	0.020	2
466	1	54	LEU	HD22	H	0.794	0.020	2
467	1	54	LEU	HD23	H	0.794	0.020	2
468	1	54	LEU	CA	C	57.257	0.400	1
469	1	54	LEU	CB	C	40.863	0.400	1
470	1	54	LEU	CD1	C	23.373	0.400	1
471	1	54	LEU	CD2	C	26.811	0.400	1
472	1	54	LEU	N	N	122.674	0.400	1
473	1	55	THR	H	H	8.068	0.020	1
474	1	55	THR	HA	H	4.211	0.020	1
475	1	55	THR	HB	H	3.383	0.020	1
476	1	55	THR	HG21	H	1.026	0.020	1
477	1	55	THR	HG22	H	1.026	0.020	1
478	1	55	THR	HG23	H	1.026	0.020	1
479	1	55	THR	CA	C	68.293	0.400	1
480	1	55	THR	CB	C	67.421	0.400	1
481	1	55	THR	CG2	C	20.711	0.400	1
482	1	55	THR	N	N	115.541	0.400	1
483	1	56	ARG	H	H	7.122	0.020	1
484	1	56	ARG	HA	H	3.919	0.020	1
485	1	56	ARG	CA	C	59.824	0.400	1
486	1	56	ARG	CB	C	30.014	0.400	1
487	1	56	ARG	N	N	119.212	0.400	1
488	1	57	LYS	H	H	7.512	0.020	1
489	1	57	LYS	HA	H	3.922	0.020	1
490	1	57	LYS	HB2	H	1.790	0.020	2
491	1	57	LYS	HB3	H	1.772	0.020	2
492	1	57	LYS	HG2	H	1.073	0.020	2
493	1	57	LYS	HG3	H	1.339	0.020	2
494	1	57	LYS	HD2	H	1.446	0.020	2
495	1	57	LYS	HD3	H	1.446	0.020	2
496	1	57	LYS	HE2	H	2.623	0.020	2
497	1	57	LYS	HE3	H	2.749	0.020	2
498	1	57	LYS	HZ1	H	7.003	0.020	1
499	1	57	LYS	HZ2	H	7.003	0.020	1
500	1	57	LYS	HZ3	H	7.003	0.020	1
501	1	57	LYS	CA	C	59.586	0.400	1
502	1	57	LYS	CB	C	32.623	0.400	1
503	1	57	LYS	CG	C	24.794	0.400	1
504	1	57	LYS	CD	C	29.532	0.400	1
505	1	57	LYS	CE	C	41.780	0.400	1
506	1	57	LYS	N	N	120.473	0.400	1
507	1	58	VAL	H	H	7.929	0.020	1
508	1	58	VAL	HA	H	3.313	0.020	1
509	1	58	VAL	HB	H	1.679	0.020	1
510	1	58	VAL	HG11	H	0.252	0.020	2
511	1	58	VAL	HG12	H	0.252	0.020	2
512	1	58	VAL	HG13	H	0.252	0.020	2
513	1	58	VAL	HG21	H	0.243	0.020	2
514	1	58	VAL	HG22	H	0.243	0.020	2
515	1	58	VAL	HG23	H	0.243	0.020	2
516	1	58	VAL	CA	C	63.652	0.400	1
517	1	58	VAL	CB	C	30.936	0.400	1
518	1	58	VAL	CG1	C	18.753	0.400	1
519	1	58	VAL	CG2	C	20.225	0.400	1
520	1	58	VAL	N	N	113.195	0.400	1
521	1	59	HIS	H	H	7.311	0.020	1
522	1	59	HIS	HA	H	4.363	0.020	1
523	1	59	HIS	HB2	H	3.095	0.020	2
524	1	59	HIS	HB3	H	3.095	0.020	2
525	1	59	HIS	CA	C	58.151	0.400	1
526	1	59	HIS	CB	C	29.723	0.400	1
527	1	59	HIS	N	N	119.474	0.400	1
528	1	60	ASN	H	H	8.005	0.020	1
529	1	60	ASN	HA	H	3.914	0.020	1
530	1	60	ASN	HB2	H	2.681	0.020	2
531	1	60	ASN	HB3	H	2.692	0.020	2
532	1	60	ASN	CA	C	54.686	0.400	1
533	1	60	ASN	CB	C	38.768	0.400	1
534	1	60	ASN	N	N	117.445	0.400	1
535	1	61	PHE	H	H	7.856	0.020	1
536	1	61	PHE	HA	H	4.491	0.020	1
537	1	61	PHE	HB2	H	2.972	0.020	2
538	1	61	PHE	HB3	H	2.972	0.020	2
539	1	61	PHE	HD1	H	6.972	0.020	3
540	1	61	PHE	HD2	H	6.972	0.020	3
541	1	61	PHE	HE1	H	6.960	0.020	3
542	1	61	PHE	HE2	H	6.960	0.020	3
543	1	61	PHE	CA	C	57.295	0.400	1
544	1	61	PHE	CB	C	37.958	0.400	1
545	1	61	PHE	N	N	118.995	0.400	1
546	1	62	GLN	H	H	7.980	0.020	1
547	1	62	GLN	HA	H	4.053	0.020	1
548	1	62	GLN	HB2	H	2.094	0.020	2
549	1	62	GLN	HB3	H	1.983	0.020	2
550	1	62	GLN	HG2	H	2.241	0.020	2
551	1	62	GLN	HG3	H	2.241	0.020	2
552	1	62	GLN	CA	C	56.502	0.400	1
553	1	62	GLN	CB	C	28.012	0.400	1
554	1	62	GLN	N	N	119.593	0.400	1
555	1	63	MET	HE1	H	1.735	0.020	1
556	1	63	MET	HE2	H	1.735	0.020	1
557	1	63	MET	HE3	H	1.735	0.020	1
558	1	63	MET	CE	C	17.346	0.400	1
559	1	65	CYS	CB	C	40.661	0.400	1
560	1	66	SER	H	H	8.112	0.020	1
561	1	66	SER	HA	H	4.302	0.020	1
562	1	66	SER	HB2	H	3.830	0.020	2
563	1	66	SER	HB3	H	3.830	0.020	2
564	1	66	SER	CA	C	58.632	0.400	1
565	1	66	SER	CB	C	64.030	0.400	1
566	1	66	SER	N	N	115.806	0.400	1
567	1	67	LEU	H	H	8.082	0.020	1
568	1	67	LEU	HA	H	4.218	0.020	1
569	1	67	LEU	HB2	H	1.563	0.020	2
570	1	67	LEU	HB3	H	1.563	0.020	2
571	1	67	LEU	HD11	H	0.863	0.020	2
572	1	67	LEU	HD12	H	0.863	0.020	2
573	1	67	LEU	HD13	H	0.863	0.020	2
574	1	67	LEU	HD21	H	0.850	0.020	2
575	1	67	LEU	HD22	H	0.850	0.020	2
576	1	67	LEU	HD23	H	0.850	0.020	2
577	1	67	LEU	CA	C	55.564	0.400	1
578	1	67	LEU	CB	C	41.862	0.400	1
579	1	67	LEU	CD1	C	20.979	0.400	1
580	1	67	LEU	CD2	C	19.997	0.400	1
581	1	67	LEU	N	N	123.526	0.400	1
582	1	68	GLN	H	H	7.966	0.020	1
583	1	68	GLN	HA	H	4.173	0.020	1
584	1	68	GLN	HB2	H	1.839	0.020	2
585	1	68	GLN	HB3	H	1.980	0.020	2
586	1	68	GLN	HG2	H	2.190	0.020	2
587	1	68	GLN	HG3	H	2.191	0.020	2
588	1	68	GLN	HE21	H	6.726	0.020	2
589	1	68	GLN	HE22	H	7.325	0.020	2
590	1	68	GLN	CA	C	55.791	0.400	1
591	1	68	GLN	CB	C	29.190	0.400	1
592	1	68	GLN	CG	C	33.761	0.400	1
593	1	68	GLN	N	N	120.403	0.400	1
594	1	69	ALA	H	H	7.916	0.020	1
595	1	69	ALA	HA	H	4.226	0.020	1
596	1	69	ALA	HB1	H	1.321	0.020	1
597	1	69	ALA	HB2	H	1.321	0.020	1
598	1	69	ALA	HB3	H	1.321	0.020	1
599	1	69	ALA	CA	C	52.470	0.400	1
600	1	69	ALA	CB	C	19.238	0.400	1
601	1	69	ALA	N	N	124.813	0.400	1
602	1	70	LYS	H	H	8.078	0.020	1
603	1	70	LYS	HA	H	4.523	0.020	1
604	1	70	LYS	HB2	H	1.688	0.020	2
605	1	70	LYS	HB3	H	1.804	0.020	2
606	1	70	LYS	HG2	H	1.438	0.020	2
607	1	70	LYS	HG3	H	1.453	0.020	2
608	1	70	LYS	HD2	H	1.671	0.020	2
609	1	70	LYS	HD3	H	1.671	0.020	2
610	1	70	LYS	HE2	H	2.957	0.020	2
611	1	70	LYS	HE3	H	2.957	0.020	2
612	1	70	LYS	CA	C	54.092	0.400	1
613	1	70	LYS	CB	C	32.505	0.400	1
614	1	70	LYS	CG	C	24.531	0.400	1
615	1	70	LYS	CD	C	29.193	0.400	1
616	1	70	LYS	CE	C	42.159	0.400	1
617	1	70	LYS	N	N	121.942	0.400	1
618	1	71	PRO	HA	H	4.319	0.020	1
619	1	71	PRO	HB2	H	2.223	0.020	2
620	1	71	PRO	HB3	H	1.836	0.020	2
621	1	71	PRO	HG2	H	1.962	0.020	2
622	1	71	PRO	HG3	H	1.962	0.020	2
623	1	71	PRO	HD2	H	3.568	0.020	2
624	1	71	PRO	HD3	H	3.746	0.020	2
625	1	71	PRO	CB	C	31.780	0.400	1
626	1	71	PRO	CD	C	50.535	0.400	1
627	1	72	ALA	H	H	8.278	0.020	1
628	1	72	ALA	HA	H	4.227	0.020	1
629	1	72	ALA	HB1	H	1.330	0.020	1
630	1	72	ALA	HB2	H	1.330	0.020	1
631	1	72	ALA	HB3	H	1.330	0.020	1
632	1	72	ALA	CA	C	52.428	0.400	1
633	1	72	ALA	CB	C	19.115	0.400	1
634	1	72	ALA	N	N	124.942	0.400	1
635	1	73	VAL	H	H	7.915	0.020	1
636	1	73	VAL	HA	H	4.359	0.020	1
637	1	73	VAL	HB	H	2.029	0.020	1
638	1	73	VAL	HG11	H	0.904	0.020	2
639	1	73	VAL	HG12	H	0.904	0.020	2
640	1	73	VAL	HG13	H	0.904	0.020	2
641	1	73	VAL	HG21	H	0.934	0.020	2
642	1	73	VAL	HG22	H	0.934	0.020	2
643	1	73	VAL	HG23	H	0.934	0.020	2
644	1	73	VAL	CA	C	59.539	0.400	1
645	1	73	VAL	CB	C	32.694	0.400	1
646	1	73	VAL	CG1	C	20.229	0.400	1
647	1	73	VAL	CG2	C	21.101	0.400	1
648	1	73	VAL	N	N	120.430	0.400	1
649	1	74	PRO	HA	H	4.392	0.020	1
650	1	74	PRO	HB2	H	2.264	0.020	2
651	1	74	PRO	HB3	H	1.896	0.020	2
652	1	74	PRO	HG2	H	1.990	0.020	2
653	1	74	PRO	HG3	H	1.990	0.020	2
654	1	74	PRO	HD2	H	3.622	0.020	2
655	1	74	PRO	HD3	H	3.791	0.020	2
656	1	74	PRO	CA	C	63.187	0.400	1
657	1	74	PRO	CB	C	32.087	0.400	1
658	1	74	PRO	CG	C	27.337	0.400	1
659	1	74	PRO	CD	C	50.968	0.400	1
660	1	75	THR	H	H	8.091	0.020	1
661	1	75	THR	HA	H	4.221	0.020	1
662	1	75	THR	HB	H	4.177	0.020	1
663	1	75	THR	HG21	H	1.206	0.020	1
664	1	75	THR	HG22	H	1.206	0.020	1
665	1	75	THR	HG23	H	1.206	0.020	1
666	1	75	THR	CA	C	62.089	0.400	1
667	1	75	THR	CB	C	69.746	0.400	1
668	1	75	THR	CG2	C	21.656	0.400	1
669	1	75	THR	N	N	114.574	0.400	1
670	1	76	SER	H	H	8.139	0.020	1
671	1	76	SER	CA	C	58.740	0.400	1
672	1	76	SER	CB	C	64.280	0.400	1
673	1	76	SER	N	N	118.121	0.400	1
674	1	77	LYS	H	H	8.222	0.020	1
675	1	77	LYS	CA	C	56.542	0.400	1
676	1	77	LYS	CB	C	32.184	0.400	1
677	1	77	LYS	N	N	123.432	0.400	1
678	1	78	LEU	H	H	8.015	0.020	1
679	1	78	LEU	HA	H	4.237	0.020	1
680	1	78	LEU	HB2	H	1.576	0.020	2
681	1	78	LEU	HB3	H	1.576	0.020	2
682	1	78	LEU	HD11	H	0.879	0.020	2
683	1	78	LEU	HD12	H	0.879	0.020	2
684	1	78	LEU	HD13	H	0.879	0.020	2
685	1	78	LEU	HD21	H	0.836	0.020	2
686	1	78	LEU	HD22	H	0.836	0.020	2
687	1	78	LEU	HD23	H	0.836	0.020	2
688	1	78	LEU	CA	C	55.974	0.400	1
689	1	78	LEU	CB	C	41.927	0.400	1
690	1	78	LEU	CD1	C	24.970	0.400	1
691	1	78	LEU	CD2	C	23.485	0.400	1
692	1	78	LEU	N	N	122.835	0.400	1
693	1	79	GLY	H	H	8.295	0.020	1
694	1	79	GLY	HA2	H	3.808	0.020	2
695	1	79	GLY	HA3	H	3.826	0.020	2
696	1	79	GLY	CA	C	45.540	0.400	1
697	1	79	GLY	N	N	110.229	0.400	1
698	1	80	GLN	H	H	8.006	0.020	1
699	1	80	GLN	CA	C	56.040	0.400	1
700	1	80	GLN	CB	C	29.276	0.400	1
701	1	80	GLN	N	N	120.179	0.400	1
702	1	81	ALA	H	H	8.249	0.020	1
703	1	81	ALA	HA	H	4.250	0.020	1
704	1	81	ALA	HB1	H	1.334	0.020	1
705	1	81	ALA	HB2	H	1.334	0.020	1
706	1	81	ALA	HB3	H	1.334	0.020	1
707	1	81	ALA	CA	C	52.923	0.400	1
708	1	81	ALA	CB	C	19.094	0.400	1
709	1	81	ALA	N	N	125.435	0.400	1
710	1	82	GLU	H	H	8.259	0.020	1
711	1	82	GLU	HA	H	4.191	0.020	1
712	1	82	GLU	HB2	H	2.015	0.020	2
713	1	82	GLU	HB3	H	1.915	0.020	2
714	1	82	GLU	HG2	H	2.216	0.020	2
715	1	82	GLU	HG3	H	2.219	0.020	2
716	1	82	GLU	CA	C	56.761	0.400	1
717	1	82	GLU	CB	C	30.228	0.400	1
718	1	82	GLU	CG	C	36.268	0.400	1
719	1	82	GLU	N	N	120.228	0.400	1
720	1	83	GLY	H	H	8.293	0.020	1
721	1	83	GLY	HA2	H	3.880	0.020	2
722	1	83	GLY	HA3	H	3.880	0.020	2
723	1	83	GLY	CA	C	45.431	0.400	1
724	1	83	GLY	N	N	110.161	0.400	1
725	1	84	ARG	H	H	8.019	0.020	1
726	1	84	ARG	HA	H	4.249	0.020	1
727	1	84	ARG	HB2	H	1.802	0.020	2
728	1	84	ARG	HB3	H	1.721	0.020	2
729	1	84	ARG	HG2	H	1.563	0.020	2
730	1	84	ARG	HG3	H	1.563	0.020	2
731	1	84	ARG	HD2	H	3.114	0.020	2
732	1	84	ARG	HD3	H	3.114	0.020	2
733	1	84	ARG	CA	C	56.183	0.400	1
734	1	84	ARG	CB	C	30.809	0.400	1
735	1	84	ARG	CG	C	26.948	0.400	1
736	1	84	ARG	CD	C	43.258	0.400	1
737	1	84	ARG	N	N	120.807	0.400	1
738	1	85	ASP	H	H	8.279	0.020	1
739	1	85	ASP	HA	H	4.510	0.020	1
740	1	85	ASP	HB2	H	2.576	0.020	2
741	1	85	ASP	HB3	H	2.659	0.020	2
742	1	85	ASP	CA	C	54.293	0.400	1
743	1	85	ASP	CB	C	41.244	0.400	1
744	1	85	ASP	N	N	121.467	0.400	1
745	1	86	ALA	H	H	8.161	0.020	1
746	1	86	ALA	HA	H	4.199	0.020	1
747	1	86	ALA	HB1	H	1.351	0.020	1
748	1	86	ALA	HB2	H	1.351	0.020	1
749	1	86	ALA	HB3	H	1.351	0.020	1
750	1	86	ALA	CA	C	53.045	0.400	1
751	1	86	ALA	CB	C	19.061	0.400	1
752	1	86	ALA	N	N	125.150	0.400	1
753	1	87	GLY	H	H	8.299	0.020	1
754	1	87	GLY	HA2	H	3.875	0.020	2
755	1	87	GLY	HA3	H	3.875	0.020	2
756	1	87	GLY	CA	C	45.484	0.400	1
757	1	87	GLY	N	N	108.079	0.400	1
758	1	88	SER	H	H	7.913	0.020	1
759	1	88	SER	HA	H	4.382	0.020	1
760	1	88	SER	HB2	H	3.787	0.020	2
761	1	88	SER	HB3	H	3.781	0.020	2
762	1	88	SER	CA	C	58.264	0.400	1
763	1	88	SER	CB	C	63.981	0.400	1
764	1	88	SER	N	N	115.731	0.400	1
765	1	89	ALA	H	H	8.141	0.020	1
766	1	89	ALA	HA	H	4.501	0.020	1
767	1	89	ALA	HB1	H	1.304	0.020	1
768	1	89	ALA	HB2	H	1.304	0.020	1
769	1	89	ALA	HB3	H	1.304	0.020	1
770	1	89	ALA	CA	C	50.589	0.400	1
771	1	89	ALA	CB	C	18.220	0.400	1
772	1	89	ALA	N	N	127.080	0.400	1
773	1	90	PRO	HA	H	4.341	0.020	1
774	1	90	PRO	HB2	H	1.858	0.020	2
775	1	90	PRO	HB3	H	2.215	0.020	2
776	1	90	PRO	HG2	H	1.948	0.020	2
777	1	90	PRO	HG3	H	1.948	0.020	2
778	1	90	PRO	HD2	H	3.544	0.020	2
779	1	90	PRO	HD3	H	3.693	0.020	2
780	1	90	PRO	CA	C	63.027	0.400	1
781	1	90	PRO	CB	C	31.995	0.400	1
782	1	90	PRO	CG	C	27.374	0.400	1
783	1	90	PRO	CD	C	50.373	0.400	1
784	1	91	SER	H	H	8.300	0.020	1
785	1	91	SER	HA	H	4.326	0.020	1
786	1	91	SER	HB2	H	3.761	0.020	2
787	1	91	SER	HB3	H	3.761	0.020	2
788	1	91	SER	CA	C	58.675	0.400	1
789	1	91	SER	CB	C	64.265	0.400	1
790	1	91	SER	N	N	116.610	0.400	1
791	1	92	GLY	H	H	8.257	0.020	1
792	1	92	GLY	HA2	H	3.826	0.020	2
793	1	92	GLY	HA3	H	3.826	0.020	2
794	1	92	GLY	CA	C	45.506	0.400	1
795	1	92	GLY	N	N	111.092	0.400	1
796	1	93	GLY	H	H	7.981	0.020	1
797	1	93	GLY	HA2	H	3.828	0.020	2
798	1	93	GLY	HA3	H	3.743	0.020	2
799	1	93	GLY	CA	C	44.865	0.400	1
800	1	93	GLY	N	N	108.650	0.400	1
801	1	94	ASP	H	H	7.543	0.020	1
802	1	94	ASP	HA	H	4.759	0.020	1
803	1	94	ASP	HB2	H	2.612	0.020	2
804	1	94	ASP	HB3	H	2.429	0.020	2
805	1	94	ASP	CA	C	51.684	0.400	1
806	1	94	ASP	CB	C	41.245	0.400	1
807	1	94	ASP	N	N	120.089	0.400	1
808	1	95	PRO	HA	H	4.205	0.020	1
809	1	95	PRO	HB2	H	2.124	0.020	2
810	1	95	PRO	HB3	H	1.795	0.020	2
811	1	95	PRO	HG2	H	1.920	0.020	2
812	1	95	PRO	HG3	H	1.920	0.020	2
813	1	95	PRO	HD2	H	3.782	0.020	2
814	1	95	PRO	HD3	H	3.686	0.020	2
815	1	95	PRO	CA	C	63.558	0.400	1
816	1	95	PRO	CB	C	31.838	0.400	1
817	1	95	PRO	CG	C	27.168	0.400	1
818	1	95	PRO	CD	C	50.690	0.400	1
819	1	96	ALA	H	H	8.209	0.020	1
820	1	96	ALA	HA	H	4.066	0.020	1
821	1	96	ALA	HB1	H	1.220	0.020	1
822	1	96	ALA	HB2	H	1.220	0.020	1
823	1	96	ALA	HB3	H	1.220	0.020	1
824	1	96	ALA	CA	C	52.947	0.400	1
825	1	96	ALA	CB	C	18.871	0.400	1
826	1	96	ALA	N	N	123.208	0.400	1
827	1	97	PHE	H	H	7.759	0.020	1
828	1	97	PHE	HA	H	4.448	0.020	1
829	1	97	PHE	HB2	H	3.021	0.020	2
830	1	97	PHE	HB3	H	2.979	0.020	2
831	1	97	PHE	HD1	H	7.111	0.020	3
832	1	97	PHE	HD2	H	7.111	0.020	3
833	1	97	PHE	CA	C	57.754	0.400	1
834	1	97	PHE	CB	C	39.294	0.400	1
835	1	97	PHE	N	N	118.612	0.400	1
836	1	98	LEU	H	H	7.675	0.020	1
837	1	98	LEU	HA	H	4.186	0.020	1
838	1	98	LEU	HB2	H	1.481	0.020	2
839	1	98	LEU	HB3	H	1.209	0.020	2
840	1	98	LEU	HG	H	1.481	0.020	1
841	1	98	LEU	HD11	H	0.738	0.020	2
842	1	98	LEU	HD12	H	0.738	0.020	2
843	1	98	LEU	HD13	H	0.738	0.020	2
844	1	98	LEU	HD21	H	0.760	0.020	2
845	1	98	LEU	HD22	H	0.760	0.020	2
846	1	98	LEU	HD23	H	0.760	0.020	2
847	1	98	LEU	CA	C	54.504	0.400	1
848	1	98	LEU	CB	C	42.043	0.400	1
849	1	98	LEU	CG	C	26.636	0.400	1
850	1	98	LEU	CD1	C	25.674	0.400	1
851	1	98	LEU	CD2	C	22.660	0.400	1
852	1	98	LEU	N	N	122.895	0.400	1
853	1	99	GLY	H	H	7.672	0.020	1
854	1	99	GLY	HA2	H	4.085	0.020	2
855	1	99	GLY	HA3	H	4.110	0.020	2
856	1	99	GLY	CA	C	44.400	0.400	1
857	1	99	GLY	N	N	107.061	0.400	1
858	1	100	MET	H	H	8.445	0.020	1
859	1	100	MET	HA	H	3.810	0.020	1
860	1	100	MET	HB2	H	0.850	0.020	2
861	1	100	MET	HB3	H	1.304	0.020	2
862	1	100	MET	HG2	H	2.154	0.020	2
863	1	100	MET	HG3	H	2.170	0.020	2
864	1	100	MET	HE1	H	1.924	0.020	1
865	1	100	MET	HE2	H	1.924	0.020	1
866	1	100	MET	HE3	H	1.924	0.020	1
867	1	100	MET	CA	C	58.907	0.400	1
868	1	100	MET	CB	C	31.076	0.400	1
869	1	100	MET	CG	C	32.503	0.400	1
870	1	100	MET	CE	C	17.486	0.400	1
871	1	100	MET	N	N	119.886	0.400	1
872	1	101	ALA	H	H	8.554	0.020	1
873	1	101	ALA	HA	H	4.325	0.020	1
874	1	101	ALA	HB1	H	1.439	0.020	1
875	1	101	ALA	HB2	H	1.439	0.020	1
876	1	101	ALA	HB3	H	1.439	0.020	1
877	1	101	ALA	CA	C	55.559	0.400	1
878	1	101	ALA	CB	C	18.805	0.400	1
879	1	101	ALA	N	N	122.882	0.400	1
880	1	102	VAL	H	H	8.138	0.020	1
881	1	102	VAL	HA	H	3.245	0.020	1
882	1	102	VAL	HB	H	1.785	0.020	1
883	1	102	VAL	HG11	H	0.948	0.020	2
884	1	102	VAL	HG12	H	0.948	0.020	2
885	1	102	VAL	HG13	H	0.948	0.020	2
886	1	102	VAL	CA	C	67.062	0.400	1
887	1	102	VAL	CB	C	30.765	0.400	1
888	1	102	VAL	CG1	C	23.269	0.400	1
889	1	102	VAL	N	N	118.665	0.400	1
890	1	103	SER	H	H	8.040	0.020	1
891	1	103	SER	HA	H	3.655	0.020	1
892	1	103	SER	N	N	115.397	0.400	1
893	1	104	THR	H	H	7.905	0.020	1
894	1	104	THR	HA	H	3.833	0.020	1
895	1	104	THR	HB	H	3.953	0.020	1
896	1	104	THR	HG21	H	0.148	0.020	1
897	1	104	THR	HG22	H	0.148	0.020	1
898	1	104	THR	HG23	H	0.148	0.020	1
899	1	104	THR	CA	C	66.474	0.400	1
900	1	104	THR	CB	C	68.329	0.400	1
901	1	104	THR	CG2	C	21.990	0.400	1
902	1	104	THR	N	N	120.243	0.400	1
903	1	105	LEU	H	H	7.751	0.020	1
904	1	105	LEU	HA	H	3.828	0.020	1
905	1	105	LEU	HD11	H	0.689	0.020	2
906	1	105	LEU	HD12	H	0.689	0.020	2
907	1	105	LEU	HD13	H	0.689	0.020	2
908	1	105	LEU	HD21	H	0.557	0.020	2
909	1	105	LEU	HD22	H	0.557	0.020	2
910	1	105	LEU	HD23	H	0.557	0.020	2
911	1	105	LEU	CA	C	58.837	0.400	1
912	1	105	LEU	CB	C	41.490	0.400	1
913	1	105	LEU	CD1	C	23.111	0.400	1
914	1	105	LEU	CD2	C	25.910	0.400	1
915	1	105	LEU	N	N	122.630	0.400	1
916	1	106	CYS	H	H	8.105	0.020	1
917	1	106	CYS	HA	H	4.344	0.020	1
918	1	106	CYS	HB2	H	3.016	0.020	2
919	1	106	CYS	HB3	H	3.016	0.020	2
920	1	106	CYS	CA	C	54.697	0.400	1
921	1	106	CYS	CB	C	41.268	0.400	1
922	1	106	CYS	N	N	111.216	0.400	1
923	1	107	GLY	H	H	7.287	0.020	1
924	1	107	GLY	HA2	H	3.680	0.020	2
925	1	107	GLY	HA3	H	3.560	0.020	2
926	1	107	GLY	CA	C	47.332	0.400	1
927	1	107	GLY	N	N	109.223	0.400	1
928	1	108	GLU	H	H	8.492	0.020	1
929	1	108	GLU	HA	H	3.729	0.020	1
930	1	108	GLU	HB2	H	2.284	0.020	2
931	1	108	GLU	HB3	H	2.186	0.020	2
932	1	108	GLU	CA	C	58.772	0.400	1
933	1	108	GLU	CB	C	27.877	0.400	1
934	1	108	GLU	N	N	114.747	0.400	1
935	1	109	VAL	H	H	7.490	0.020	1
936	1	109	VAL	HA	H	4.825	0.020	1
937	1	109	VAL	HB	H	2.149	0.020	1
938	1	109	VAL	HG11	H	0.627	0.020	2
939	1	109	VAL	HG12	H	0.627	0.020	2
940	1	109	VAL	HG13	H	0.627	0.020	2
941	1	109	VAL	HG21	H	0.641	0.020	2
942	1	109	VAL	HG22	H	0.641	0.020	2
943	1	109	VAL	HG23	H	0.641	0.020	2
944	1	109	VAL	CA	C	58.023	0.400	1
945	1	109	VAL	CB	C	32.212	0.400	1
946	1	109	VAL	CG1	C	19.191	0.400	1
947	1	109	VAL	CG2	C	21.641	0.400	1
948	1	109	VAL	N	N	112.837	0.400	1
949	1	110	PRO	HA	H	4.195	0.020	1
950	1	110	PRO	CA	C	62.654	0.400	1
951	1	110	PRO	CB	C	32.348	0.400	1
952	1	111	LEU	H	H	7.594	0.020	1
953	1	111	LEU	HA	H	4.580	0.020	1
954	1	111	LEU	HG	H	1.529	0.020	1
955	1	111	LEU	HD11	H	0.774	0.020	2
956	1	111	LEU	HD12	H	0.774	0.020	2
957	1	111	LEU	HD13	H	0.774	0.020	2
958	1	111	LEU	HD21	H	0.618	0.020	2
959	1	111	LEU	HD22	H	0.618	0.020	2
960	1	111	LEU	HD23	H	0.618	0.020	2
961	1	111	LEU	CA	C	53.342	0.400	1
962	1	111	LEU	CB	C	43.578	0.400	1
963	1	111	LEU	CG	C	27.312	0.400	1
964	1	111	LEU	CD1	C	25.926	0.400	1
965	1	111	LEU	CD2	C	24.934	0.400	1
966	1	111	LEU	N	N	119.046	0.400	1
967	1	112	TYR	H	H	8.505	0.020	1
968	1	112	TYR	HA	H	4.720	0.020	1
969	1	112	TYR	HD1	H	7.073	0.020	3
970	1	112	TYR	HD2	H	7.073	0.020	3
971	1	112	TYR	CA	C	56.231	0.400	1
972	1	112	TYR	CB	C	40.234	0.400	1
973	1	112	TYR	N	N	122.375	0.400	1
974	1	113	TYR	H	H	8.738	0.020	1
975	1	113	TYR	HA	H	4.943	0.020	1
976	1	113	TYR	HB2	H	2.805	0.020	2
977	1	113	TYR	HB3	H	2.977	0.020	2
978	1	113	TYR	HD1	H	6.996	0.020	3
979	1	113	TYR	HD2	H	6.996	0.020	3
980	1	113	TYR	HE1	H	6.544	0.020	3
981	1	113	TYR	HE2	H	6.544	0.020	3
982	1	113	TYR	CA	C	58.335	0.400	1
983	1	113	TYR	CB	C	38.248	0.400	1
984	1	113	TYR	N	N	124.840	0.400	1
985	1	114	ILE	H	H	8.230	0.020	1
986	1	114	ILE	HA	H	4.346	0.020	1
987	1	114	ILE	HB	H	1.959	0.020	1
988	1	114	ILE	HG12	H	1.144	0.020	2
989	1	114	ILE	HG13	H	1.400	0.020	2
990	1	114	ILE	HG21	H	0.930	0.020	1
991	1	114	ILE	HG22	H	0.930	0.020	1
992	1	114	ILE	HG23	H	0.930	0.020	1
993	1	114	ILE	HD11	H	0.746	0.020	1
994	1	114	ILE	HD12	H	0.746	0.020	1
995	1	114	ILE	HD13	H	0.746	0.020	1
996	1	114	ILE	CA	C	61.968	0.400	1
997	1	114	ILE	CB	C	40.425	0.400	1
998	1	114	ILE	CG1	C	27.401	0.400	1
999	1	114	ILE	CG2	C	18.324	0.400	1
1000	1	114	ILE	CD1	C	13.865	0.400	1
1001	1	114	ILE	N	N	127.246	0.400	1

Release date

2023-05-18

Citation

The inhibitory action of the chaperone BRICHOS against the alpha-Synuclein secondary nucleation pathway at near-atomic resolution
Ghosh, D., Torres, F., Guentert, P., Riek, R.

Related entities 1. Pulmonary surfactant-associated protein C (Fragment), : 1 : 1 : 31 entities Detail

Interaction partners 1. Pulmonary surfactant-associated protein C (Fragment), : 8 interactors Detail

More details for 8 interactors identified by 1 citations

Experiments performed 1 experiments Detail

#	Name	Isotope labeling	Concentration
1	BRICHOS monomer	[U-13C; U-15N]	1 mM
2	potassium phosphate	none	25 mM
3	NaCl	none	25 mM
4	sodium azide	none	0.01 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34813_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)
1:37:CYS:SG	1:65:CYS:SG	unknown	oxidized, CB 40.661 ppm	n/a
1:38:CYS:SG	1:106:CYS:SG	oxidized, CA 53.659, CB 47.714 ppm	oxidized, CA 54.697, CB 41.268 ppm	n/a
2:37:CYS:SG	2:65:CYS:SG	unknown	unknown	n/a
2:38:CYS:SG	2:106:CYS:SG	unknown	unknown	n/a
3:37:CYS:SG	3:65:CYS:SG	unknown	unknown	n/a
3:38:CYS:SG	3:106:CYS:SG	unknown	unknown	n/a

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

None

Non-standard residues

None

Content subtype: bmr34813_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1001		96.5 (chain: 1, length: 114)
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: 114, Sequence coverage: 96.5%
- Total number of assignments
  - ¹H chemical shifts: 623
  - ¹³C chemical shifts: 280
  - ¹⁵N chemical shifts: 98
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
57	LYS	HZ1	7.003
57	LYS	HZ2	7.003
57	LYS	HZ3	7.003

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	644	484	75.2
¹³C chemical shifts	501	280	55.9
¹⁵N chemical shifts	111	98	88.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	230	202	87.8
¹³C chemical shifts	228	98	43.0
¹⁵N chemical shifts	105	98	93.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	414	282	68.1
¹³C chemical shifts	273	182	66.7
¹⁵N chemical shifts	6	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	71	68	95.8
¹³C chemical shifts	71	68	95.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	43	31	72.1
¹³C chemical shifts	43	0	0.0

Keywords CHAPERONE, PROTEIN

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