BMRBj - BMREntryMaster

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BMRB: 34811

8OVI

BRICHOS monomer

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, 11955.60 Da Detail

GSEHLVTTAT FSIGSTGLVV YDYQQLLIAY IPAPGTCCYI MKIAPESIPS LEALTQKVHN FQMECSLQAK PAVPTSKLGQ AEGRDAGSAP SGGDPAFLGM AVSTLCGEVP LYYI

Formula weight

11955.6 Da

Entity Connection

disulfide 2 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

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 730, ¹³C: 341 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	GLY	H	H	8.115	0.020	1
2	1	1	GLY	HA2	H	3.908	0.020	2
3	1	1	GLY	HA3	H	3.885	0.020	2
4	1	1	GLY	CA	C	42.911	0.400	1
5	1	2	SER	HA	H	4.245	0.020	1
6	1	2	SER	HB2	H	3.836	0.020	2
7	1	2	SER	HB3	H	4.240	0.020	2
8	1	2	SER	HG	H	2.197	0.020	1
9	1	2	SER	CA	C	61.383	0.400	1
10	1	2	SER	CB	C	61.319	0.400	1
11	1	3	GLU	H	H	8.358	0.020	1
12	1	3	GLU	HA	H	4.247	0.020	1
13	1	3	GLU	HB2	H	1.871	0.020	2
14	1	3	GLU	HB3	H	1.871	0.020	2
15	1	3	GLU	HG2	H	1.869	0.020	2
16	1	3	GLU	HG3	H	1.937	0.020	2
17	1	3	GLU	CA	C	54.214	0.400	1
18	1	3	GLU	CB	C	26.917	0.400	1
19	1	3	GLU	CG	C	35.890	0.400	1
20	1	4	HIS	H	H	8.369	0.020	1
21	1	4	HIS	HA	H	4.704	0.020	1
22	1	4	HIS	HB2	H	1.899	0.020	2
23	1	4	HIS	HB3	H	2.234	0.020	2
24	1	4	HIS	HD1	H	8.371	0.020	1
25	1	4	HIS	HD2	H	7.895	0.020	1
26	1	4	HIS	HE1	H	7.862	0.020	1
27	1	4	HIS	CA	C	54.333	0.400	1
28	1	4	HIS	CB	C	26.745	0.400	1
29	1	4	HIS	CD2	C	132.741	0.400	1
30	1	4	HIS	CE1	C	135.090	0.400	1
31	1	5	LEU	H	H	8.686	0.020	1
32	1	5	LEU	HA	H	4.072	0.020	1
33	1	5	LEU	HB2	H	1.539	0.020	2
34	1	5	LEU	HB3	H	1.414	0.020	2
35	1	5	LEU	HD11	H	0.652	0.020	2
36	1	5	LEU	HD12	H	0.652	0.020	2
37	1	5	LEU	HD13	H	0.652	0.020	2
38	1	5	LEU	CA	C	55.086	0.400	1
39	1	5	LEU	CB	C	38.287	0.400	1
40	1	5	LEU	CD1	C	20.450	0.400	1
41	1	6	VAL	H	H	8.089	0.020	1
42	1	6	VAL	HA	H	4.155	0.020	1
43	1	6	VAL	HB	H	2.051	0.020	1
44	1	6	VAL	HG11	H	0.908	0.020	2
45	1	6	VAL	HG12	H	0.908	0.020	2
46	1	6	VAL	HG13	H	0.908	0.020	2
47	1	6	VAL	HG21	H	0.896	0.020	2
48	1	6	VAL	HG22	H	0.896	0.020	2
49	1	6	VAL	HG23	H	0.896	0.020	2
50	1	6	VAL	CA	C	59.223	0.400	1
51	1	6	VAL	CB	C	30.000	0.400	1
52	1	6	VAL	CG1	C	17.887	0.400	1
53	1	6	VAL	CG2	C	18.554	0.400	1
54	1	7	THR	H	H	7.963	0.020	1
55	1	7	THR	HA	H	4.453	0.020	1
56	1	7	THR	HB	H	4.269	0.020	1
57	1	7	THR	HG21	H	0.975	0.020	1
58	1	7	THR	HG22	H	0.975	0.020	1
59	1	7	THR	HG23	H	0.975	0.020	1
60	1	7	THR	CA	C	56.074	0.400	1
61	1	7	THR	CB	C	66.551	0.400	1
62	1	7	THR	CG2	C	18.804	0.400	1
63	1	8	THR	H	H	7.803	0.020	1
64	1	8	THR	HA	H	3.987	0.020	1
65	1	8	THR	HB	H	4.452	0.020	1
66	1	8	THR	HG21	H	1.189	0.020	1
67	1	8	THR	HG22	H	1.189	0.020	1
68	1	8	THR	HG23	H	1.189	0.020	1
69	1	8	THR	CA	C	60.831	0.400	1
70	1	8	THR	CB	C	67.597	0.400	1
71	1	8	THR	CG2	C	18.397	0.400	1
72	1	9	ALA	H	H	7.726	0.020	1
73	1	9	ALA	HA	H	4.283	0.020	1
74	1	9	ALA	HB1	H	1.369	0.020	1
75	1	9	ALA	HB2	H	1.369	0.020	1
76	1	9	ALA	HB3	H	1.369	0.020	1
77	1	9	ALA	CA	C	49.278	0.400	1
78	1	9	ALA	CB	C	16.012	0.400	1
79	1	10	THR	H	H	7.964	0.020	1
80	1	10	THR	HA	H	3.866	0.020	1
81	1	10	THR	HB	H	4.183	0.020	1
82	1	10	THR	HG21	H	0.744	0.020	1
83	1	10	THR	HG22	H	0.744	0.020	1
84	1	10	THR	HG23	H	0.744	0.020	1
85	1	10	THR	CA	C	59.726	0.400	1
86	1	10	THR	CB	C	66.231	0.400	1
87	1	10	THR	CG2	C	18.508	0.400	1
88	1	11	PHE	H	H	8.841	0.020	1
89	1	11	PHE	HA	H	5.084	0.020	1
90	1	11	PHE	HB2	H	3.022	0.020	2
91	1	11	PHE	HD1	H	6.989	0.020	3
92	1	11	PHE	HD2	H	6.989	0.020	3
93	1	11	PHE	HE1	H	6.649	0.020	3
94	1	11	PHE	HE2	H	6.649	0.020	3
95	1	11	PHE	HZ	H	7.134	0.020	1
96	1	11	PHE	CD1	C	63.410	0.400	1
97	1	11	PHE	CE1	C	128.558	0.400	1
98	1	11	PHE	CZ	C	127.789	0.400	1
99	1	12	SER	H	H	9.745	0.020	1
100	1	12	SER	HA	H	5.097	0.020	1
101	1	12	SER	CA	C	50.045	0.400	1
102	1	13	ILE	H	H	8.090	0.020	1
103	1	13	ILE	HA	H	3.924	0.020	1
104	1	13	ILE	HB	H	1.630	0.020	1
105	1	13	ILE	HG12	H	1.372	0.020	2
106	1	13	ILE	HG13	H	0.924	0.020	2
107	1	13	ILE	HG21	H	0.728	0.020	1
108	1	13	ILE	HG22	H	0.728	0.020	1
109	1	13	ILE	HG23	H	0.728	0.020	1
110	1	13	ILE	HD11	H	0.426	0.020	1
111	1	13	ILE	HD12	H	0.426	0.020	1
112	1	13	ILE	HD13	H	0.426	0.020	1
113	1	13	ILE	CA	C	59.342	0.400	1
114	1	13	ILE	CB	C	35.146	0.400	1
115	1	13	ILE	CG1	C	24.678	0.400	1
116	1	13	ILE	CG2	C	14.730	0.400	1
117	1	13	ILE	CD1	C	12.640	0.400	1
118	1	14	GLY	H	H	8.149	0.020	1
119	1	14	GLY	HA2	H	3.825	0.020	2
120	1	14	GLY	HA3	H	3.899	0.020	2
121	1	14	GLY	CA	C	44.483	0.400	1
122	1	15	SER	H	H	7.387	0.020	1
123	1	15	SER	HA	H	4.457	0.020	1
124	1	15	SER	CA	C	60.548	0.400	1
125	1	16	THR	H	H	8.067	0.020	1
126	1	16	THR	HA	H	3.943	0.020	1
127	1	17	GLY	H	H	7.630	0.020	1
128	1	17	GLY	HA2	H	3.789	0.020	2
129	1	17	GLY	HA3	H	3.936	0.020	2
130	1	17	GLY	CA	C	42.474	0.400	1
131	1	18	LEU	H	H	8.086	0.020	1
132	1	18	LEU	HA	H	5.503	0.020	1
133	1	18	LEU	HB2	H	1.590	0.020	2
134	1	18	LEU	HB3	H	1.677	0.020	2
135	1	18	LEU	HG	H	0.840	0.020	1
136	1	18	LEU	HD11	H	0.801	0.020	2
137	1	18	LEU	HD12	H	0.801	0.020	2
138	1	18	LEU	HD13	H	0.801	0.020	2
139	1	18	LEU	CA	C	50.848	0.400	1
140	1	18	LEU	CB	C	44.077	0.400	1
141	1	18	LEU	CG	C	23.108	0.400	1
142	1	18	LEU	CD1	C	18.541	0.400	1
143	1	19	VAL	H	H	8.948	0.020	1
144	1	19	VAL	HA	H	5.183	0.020	1
145	1	19	VAL	HB	H	2.086	0.020	1
146	1	19	VAL	HG11	H	0.817	0.020	2
147	1	19	VAL	HG12	H	0.817	0.020	2
148	1	19	VAL	HG13	H	0.817	0.020	2
149	1	19	VAL	HG21	H	1.065	0.020	2
150	1	19	VAL	HG22	H	1.065	0.020	2
151	1	19	VAL	HG23	H	1.065	0.020	2
152	1	19	VAL	CA	C	58.286	0.400	1
153	1	19	VAL	CB	C	32.497	0.400	1
154	1	19	VAL	CG1	C	19.485	0.400	1
155	1	19	VAL	CG2	C	19.444	0.400	1
156	1	20	VAL	H	H	9.313	0.020	1
157	1	20	VAL	HA	H	5.104	0.020	1
158	1	20	VAL	HB	H	1.941	0.020	1
159	1	20	VAL	HG11	H	0.815	0.020	2
160	1	20	VAL	HG12	H	0.815	0.020	2
161	1	20	VAL	HG13	H	0.815	0.020	2
162	1	20	VAL	HG21	H	0.794	0.020	2
163	1	20	VAL	HG22	H	0.794	0.020	2
164	1	20	VAL	HG23	H	0.794	0.020	2
165	1	20	VAL	CA	C	57.712	0.400	1
166	1	20	VAL	CB	C	32.006	0.400	1
167	1	20	VAL	CG1	C	17.874	0.400	1
168	1	20	VAL	CG2	C	18.921	0.400	1
169	1	21	TYR	H	H	9.745	0.020	1
170	1	21	TYR	HA	H	5.066	0.020	1
171	1	21	TYR	HB2	H	3.024	0.020	2
172	1	21	TYR	HD1	H	6.832	0.020	3
173	1	21	TYR	HD2	H	6.832	0.020	3
174	1	21	TYR	HE1	H	6.532	0.020	3
175	1	21	TYR	HE2	H	6.532	0.020	3
176	1	21	TYR	CA	C	50.010	0.400	1
177	1	21	TYR	CB	C	37.044	0.400	1
178	1	21	TYR	CD1	C	129.325	0.400	1
179	1	21	TYR	CE1	C	115.055	0.400	1
180	1	22	ASP	H	H	8.239	0.020	1
181	1	22	ASP	HA	H	5.083	0.020	1
182	1	22	ASP	HB2	H	2.104	0.020	2
183	1	22	ASP	HB3	H	2.947	0.020	2
184	1	22	ASP	CA	C	49.978	0.400	1
185	1	22	ASP	CB	C	39.334	0.400	1
186	1	23	TYR	H	H	8.425	0.020	1
187	1	23	TYR	HA	H	4.143	0.020	1
188	1	23	TYR	HB2	H	3.201	0.020	2
189	1	23	TYR	HB3	H	2.840	0.020	2
190	1	23	TYR	HD1	H	6.982	0.020	3
191	1	23	TYR	HD2	H	6.982	0.020	3
192	1	23	TYR	CA	C	57.653	0.400	1
193	1	23	TYR	CB	C	35.146	0.400	1
194	1	23	TYR	CD1	C	129.359	0.400	1
195	1	23	TYR	CE2	C	114.844	0.400	1
196	1	24	GLN	H	H	8.574	0.020	1
197	1	24	GLN	HA	H	4.324	0.020	1
198	1	24	GLN	HB2	H	2.345	0.020	2
199	1	24	GLN	HG2	H	2.463	0.020	2
200	1	24	GLN	HG3	H	2.441	0.020	2
201	1	24	GLN	HE21	H	6.842	0.020	2
202	1	24	GLN	HE22	H	7.660	0.020	2
203	1	24	GLN	CA	C	55.627	0.400	1
204	1	24	GLN	CB	C	26.760	0.400	1
205	1	24	GLN	CG	C	31.526	0.400	1
206	1	25	GLN	H	H	7.993	0.020	1
207	1	25	GLN	HA	H	4.140	0.020	1
208	1	25	GLN	HB2	H	1.541	0.020	2
209	1	25	GLN	HB3	H	2.110	0.020	2
210	1	25	GLN	HG3	H	2.326	0.020	2
211	1	25	GLN	HE21	H	6.730	0.020	2
212	1	25	GLN	HE22	H	7.514	0.020	2
213	1	25	GLN	CA	C	51.372	0.400	1
214	1	25	GLN	CB	C	26.280	0.400	1
215	1	25	GLN	CG	C	31.032	0.400	1
216	1	26	LEU	H	H	7.813	0.020	1
217	1	26	LEU	HA	H	3.702	0.020	1
218	1	26	LEU	HB2	H	1.844	0.020	2
219	1	26	LEU	HB3	H	2.054	0.020	2
220	1	26	LEU	HG	H	1.539	0.020	1
221	1	26	LEU	HD11	H	0.827	0.020	2
222	1	26	LEU	HD12	H	0.827	0.020	2
223	1	26	LEU	HD13	H	0.827	0.020	2
224	1	26	LEU	HD21	H	0.962	0.020	2
225	1	26	LEU	HD22	H	0.962	0.020	2
226	1	26	LEU	HD23	H	0.962	0.020	2
227	1	26	LEU	CA	C	52.958	0.400	1
228	1	26	LEU	CB	C	34.642	0.400	1
229	1	26	LEU	CG	C	23.631	0.400	1
230	1	26	LEU	CD1	C	20.519	0.400	1
231	1	26	LEU	CD2	C	23.108	0.400	1
232	1	27	LEU	H	H	7.978	0.020	1
233	1	27	LEU	HA	H	5.187	0.020	1
234	1	27	LEU	HB2	H	1.386	0.020	2
235	1	27	LEU	HB3	H	1.550	0.020	2
236	1	27	LEU	HG	H	1.957	0.020	1
237	1	27	LEU	HD11	H	0.854	0.020	2
238	1	27	LEU	HD12	H	0.854	0.020	2
239	1	27	LEU	HD13	H	0.854	0.020	2
240	1	27	LEU	HD21	H	0.811	0.020	2
241	1	27	LEU	HD22	H	0.811	0.020	2
242	1	27	LEU	HD23	H	0.811	0.020	2
243	1	27	LEU	CA	C	51.348	0.400	1
244	1	27	LEU	CB	C	44.082	0.400	1
245	1	27	LEU	CG	C	29.845	0.400	1
246	1	27	LEU	CD1	C	23.555	0.400	1
247	1	27	LEU	CD2	C	12.836	0.400	1
248	1	28	ILE	H	H	8.860	0.020	1
249	1	28	ILE	HA	H	5.077	0.020	1
250	1	28	ILE	HB	H	1.392	0.020	1
251	1	28	ILE	HG12	H	0.510	0.020	2
252	1	28	ILE	HG21	H	0.505	0.020	1
253	1	28	ILE	HG22	H	0.505	0.020	1
254	1	28	ILE	HG23	H	0.505	0.020	1
255	1	28	ILE	HD11	H	0.511	0.020	1
256	1	28	ILE	HD12	H	0.511	0.020	1
257	1	28	ILE	HD13	H	0.511	0.020	1
258	1	28	ILE	CA	C	56.191	0.400	1
259	1	28	ILE	CB	C	38.962	0.400	1
260	1	28	ILE	CG2	C	14.922	0.400	1
261	1	28	ILE	CD1	C	12.648	0.400	1
262	1	29	ALA	H	H	9.258	0.020	1
263	1	29	ALA	HA	H	5.761	0.020	1
264	1	29	ALA	HB1	H	1.163	0.020	1
265	1	29	ALA	HB2	H	1.163	0.020	1
266	1	29	ALA	HB3	H	1.163	0.020	1
267	1	29	ALA	CA	C	46.678	0.400	1
268	1	29	ALA	CB	C	20.429	0.400	1
269	1	30	TYR	H	H	9.493	0.020	1
270	1	30	TYR	HA	H	5.589	0.020	1
271	1	30	TYR	HB2	H	2.802	0.020	2
272	1	30	TYR	HB3	H	3.106	0.020	2
273	1	30	TYR	HD1	H	7.011	0.020	1
274	1	30	TYR	HD2	H	6.976	0.020	1
275	1	30	TYR	HE1	H	6.656	0.020	1
276	1	30	TYR	HE2	H	6.642	0.020	1
277	1	30	TYR	CA	C	52.443	0.400	1
278	1	30	TYR	CB	C	38.287	0.400	1
279	1	30	TYR	CD2	C	130.406	0.400	1
280	1	30	TYR	CE1	C	48.231	0.400	1
281	1	31	ILE	H	H	8.812	0.020	1
282	1	31	ILE	HA	H	4.326	0.020	1
283	1	31	ILE	HB	H	1.914	0.020	1
284	1	31	ILE	HG12	H	0.803	0.020	2
285	1	31	ILE	HG13	H	1.383	0.020	2
286	1	31	ILE	HG21	H	0.827	0.020	1
287	1	31	ILE	HG22	H	0.827	0.020	1
288	1	31	ILE	HG23	H	0.827	0.020	1
289	1	31	ILE	HD11	H	0.726	0.020	1
290	1	31	ILE	HD12	H	0.726	0.020	1
291	1	31	ILE	HD13	H	0.726	0.020	1
292	1	31	ILE	CA	C	60.270	0.400	1
293	1	31	ILE	CB	C	37.677	0.400	1
294	1	31	ILE	CG1	C	22.097	0.400	1
295	1	31	ILE	CG2	C	15.908	0.400	1
296	1	31	ILE	CD1	C	12.833	0.400	1
297	1	32	PRO	HA	H	4.302	0.020	1
298	1	32	PRO	HB2	H	2.101	0.020	2
299	1	32	PRO	HB3	H	1.961	0.020	2
300	1	32	PRO	HG2	H	1.917	0.020	2
301	1	32	PRO	HG3	H	1.823	0.020	2
302	1	32	PRO	HD2	H	3.465	0.020	2
303	1	32	PRO	HD3	H	3.592	0.020	2
304	1	32	PRO	CB	C	26.794	0.400	1
305	1	32	PRO	CG	C	22.061	0.400	1
306	1	32	PRO	CD	C	47.185	0.400	1
307	1	33	ALA	H	H	8.255	0.020	1
308	1	33	ALA	HA	H	4.415	0.020	1
309	1	33	ALA	HB1	H	1.291	0.020	1
310	1	33	ALA	HB2	H	1.291	0.020	1
311	1	33	ALA	HB3	H	1.291	0.020	1
312	1	33	ALA	CA	C	47.708	0.400	1
313	1	33	ALA	CB	C	16.827	0.400	1
314	1	34	PRO	HA	H	4.349	0.020	1
315	1	34	PRO	HB2	H	2.330	0.020	2
316	1	34	PRO	HB3	H	1.867	0.020	2
317	1	34	PRO	HD2	H	4.295	0.020	2
318	1	34	PRO	CA	C	61.312	0.400	1
319	1	34	PRO	CB	C	28.865	0.400	1
320	1	34	PRO	CD	C	52.792	0.400	1
321	1	35	GLY	H	H	8.743	0.020	1
322	1	35	GLY	HA2	H	3.928	0.020	2
323	1	35	GLY	HA3	H	3.664	0.020	2
324	1	35	GLY	CA	C	44.241	0.400	1
325	1	36	THR	H	H	8.035	0.020	1
326	1	36	THR	HA	H	4.206	0.020	1
327	1	36	THR	HB	H	4.049	0.020	1
328	1	36	THR	HG1	H	1.094	0.020	1
329	1	36	THR	HG21	H	1.061	0.020	1
330	1	36	THR	HG22	H	1.061	0.020	1
331	1	36	THR	HG23	H	1.061	0.020	1
332	1	36	THR	CA	C	59.203	0.400	1
333	1	36	THR	CB	C	67.264	0.400	1
334	1	36	THR	CG2	C	18.965	0.400	1
335	1	37	CYS	H	H	8.159	0.020	1
336	1	37	CYS	HA	H	4.506	0.020	1
337	1	37	CYS	HB2	H	2.946	0.020	2
338	1	37	CYS	CA	C	53.989	0.400	1
339	1	37	CYS	CB	C	40.118	0.400	1
340	1	38	CYS	H	H	9.199	0.020	1
341	1	38	CYS	HA	H	5.011	0.020	1
342	1	38	CYS	HB2	H	2.671	0.020	2
343	1	38	CYS	HB3	H	3.098	0.020	2
344	1	38	CYS	CA	C	51.820	0.400	1
345	1	38	CYS	CB	C	44.568	0.400	1
346	1	39	TYR	H	H	8.976	0.020	1
347	1	39	TYR	HA	H	5.288	0.020	1
348	1	39	TYR	HB2	H	2.774	0.020	2
349	1	39	TYR	HB3	H	3.078	0.020	2
350	1	39	TYR	HD1	H	6.947	0.020	3
351	1	39	TYR	HD2	H	6.947	0.020	3
352	1	39	TYR	HE1	H	6.611	0.020	1
353	1	39	TYR	HE2	H	6.625	0.020	1
354	1	39	TYR	CA	C	54.498	0.400	1
355	1	39	TYR	CB	C	37.699	0.400	1
356	1	39	TYR	CD1	C	130.222	0.400	1
357	1	39	TYR	CE1	C	114.861	0.400	1
358	1	40	ILE	H	H	9.131	0.020	1
359	1	40	ILE	HA	H	5.016	0.020	1
360	1	40	ILE	HB	H	1.539	0.020	1
361	1	40	ILE	HG12	H	1.013	0.020	2
362	1	40	ILE	HG13	H	1.065	0.020	2
363	1	40	ILE	HG21	H	0.807	0.020	1
364	1	40	ILE	HG22	H	0.807	0.020	1
365	1	40	ILE	HG23	H	0.807	0.020	1
366	1	40	ILE	HD11	H	0.600	0.020	1
367	1	40	ILE	HD12	H	0.600	0.020	1
368	1	40	ILE	HD13	H	0.600	0.020	1
369	1	40	ILE	CA	C	55.576	0.400	1
370	1	40	ILE	CB	C	35.787	0.400	1
371	1	40	ILE	CG1	C	24.202	0.400	1
372	1	40	ILE	CG2	C	15.954	0.400	1
373	1	40	ILE	CD1	C	9.107	0.400	1
374	1	41	MET	H	H	9.368	0.020	1
375	1	41	MET	HA	H	4.946	0.020	1
376	1	41	MET	HB2	H	1.709	0.020	2
377	1	41	MET	HB3	H	2.047	0.020	2
378	1	41	MET	HE1	H	1.733	0.020	1
379	1	41	MET	HE2	H	1.733	0.020	1
380	1	41	MET	HE3	H	1.733	0.020	1
381	1	41	MET	CA	C	51.363	0.400	1
382	1	41	MET	CB	C	34.600	0.400	1
383	1	41	MET	CE	C	14.210	0.400	1
384	1	42	LYS	H	H	8.867	0.020	1
385	1	42	LYS	HA	H	4.918	0.020	1
386	1	42	LYS	HB2	H	1.768	0.020	2
387	1	42	LYS	HB3	H	1.995	0.020	2
388	1	42	LYS	HG2	H	1.570	0.020	2
389	1	42	LYS	HG3	H	1.620	0.020	2
390	1	42	LYS	HD2	H	1.761	0.020	2
391	1	42	LYS	HE2	H	3.041	0.020	2
392	1	42	LYS	CA	C	51.370	0.400	1
393	1	42	LYS	CB	C	34.685	0.400	1
394	1	42	LYS	CG	C	22.042	0.400	1
395	1	42	LYS	CD	C	25.725	0.400	1
396	1	42	LYS	CE	C	39.351	0.400	1
397	1	43	ILE	H	H	8.863	0.020	1
398	1	43	ILE	HA	H	4.429	0.020	1
399	1	43	ILE	HB	H	1.709	0.020	1
400	1	43	ILE	HG12	H	1.178	0.020	2
401	1	43	ILE	HG21	H	0.804	0.020	1
402	1	43	ILE	HG22	H	0.804	0.020	1
403	1	43	ILE	HG23	H	0.804	0.020	1
404	1	43	ILE	HD11	H	0.604	0.020	1
405	1	43	ILE	HD12	H	0.604	0.020	1
406	1	43	ILE	HD13	H	0.604	0.020	1
407	1	43	ILE	CA	C	57.333	0.400	1
408	1	43	ILE	CB	C	37.715	0.400	1
409	1	43	ILE	CG1	C	24.175	0.400	1
410	1	43	ILE	CG2	C	15.952	0.400	1
411	1	43	ILE	CD1	C	10.719	0.400	1
412	1	44	ALA	H	H	8.193	0.020	1
413	1	44	ALA	HA	H	4.782	0.020	1
414	1	44	ALA	HB1	H	1.394	0.020	1
415	1	44	ALA	HB2	H	1.394	0.020	1
416	1	44	ALA	HB3	H	1.394	0.020	1
417	1	44	ALA	CA	C	46.887	0.400	1
418	1	44	ALA	CB	C	16.289	0.400	1
419	1	45	PRO	HA	H	4.130	0.020	1
420	1	45	PRO	HB2	H	2.328	0.020	2
421	1	45	PRO	HB3	H	1.960	0.020	2
422	1	45	PRO	HG2	H	1.989	0.020	2
423	1	45	PRO	HG3	H	2.117	0.020	2
424	1	45	PRO	HD2	H	3.832	0.020	2
425	1	45	PRO	HD3	H	4.153	0.020	2
426	1	45	PRO	CA	C	62.350	0.400	1
427	1	45	PRO	CB	C	28.865	0.400	1
428	1	45	PRO	CG	C	25.725	0.400	1
429	1	45	PRO	CD	C	47.740	0.400	1
430	1	46	GLU	H	H	8.821	0.020	1
431	1	46	GLU	HA	H	4.206	0.020	1
432	1	46	GLU	HB2	H	2.078	0.020	2
433	1	46	GLU	HB3	H	2.078	0.020	2
434	1	46	GLU	HG2	H	1.940	0.020	2
435	1	46	GLU	HG3	H	2.236	0.020	2
436	1	46	GLU	CA	C	54.612	0.400	1
437	1	46	GLU	CB	C	25.983	0.400	1
438	1	46	GLU	CG	C	33.597	0.400	1
439	1	47	SER	H	H	7.901	0.020	1
440	1	47	SER	HA	H	4.596	0.020	1
441	1	47	SER	HB2	H	3.736	0.020	2
442	1	47	SER	HB3	H	3.736	0.020	2
443	1	47	SER	CA	C	53.989	0.400	1
444	1	47	SER	CB	C	61.307	0.400	1
445	1	48	ILE	H	H	8.357	0.020	1
446	1	48	ILE	HA	H	4.319	0.020	1
447	1	48	ILE	HB	H	1.870	0.020	1
448	1	48	ILE	HG12	H	1.102	0.020	2
449	1	48	ILE	HG13	H	1.685	0.020	2
450	1	48	ILE	HG21	H	0.979	0.020	1
451	1	48	ILE	HG22	H	0.979	0.020	1
452	1	48	ILE	HG23	H	0.979	0.020	1
453	1	48	ILE	HD11	H	0.860	0.020	1
454	1	48	ILE	HD12	H	0.860	0.020	1
455	1	48	ILE	HD13	H	0.860	0.020	1
456	1	48	ILE	CA	C	56.082	0.400	1
457	1	48	ILE	CB	C	35.826	0.400	1
458	1	48	ILE	CG1	C	24.678	0.400	1
459	1	48	ILE	CG2	C	14.677	0.400	1
460	1	48	ILE	CD1	C	10.023	0.400	1
461	1	49	PRO	HA	H	4.402	0.020	1
462	1	49	PRO	HB2	H	1.895	0.020	2
463	1	49	PRO	HB3	H	2.268	0.020	2
464	1	49	PRO	HG2	H	1.860	0.020	2
465	1	49	PRO	HG3	H	2.270	0.020	2
466	1	49	PRO	HD2	H	3.619	0.020	2
467	1	49	PRO	HD3	H	3.823	0.020	2
468	1	49	PRO	CA	C	60.431	0.400	1
469	1	49	PRO	CB	C	29.571	0.400	1
470	1	49	PRO	CG	C	29.438	0.400	1
471	1	49	PRO	CD	C	48.197	0.400	1
472	1	50	SER	H	H	8.364	0.020	1
473	1	50	SER	HA	H	4.425	0.020	1
474	1	50	SER	HB2	H	3.882	0.020	2
475	1	50	SER	HB3	H	3.718	0.020	2
476	1	50	SER	CA	C	55.036	0.400	1
477	1	50	SER	CB	C	61.343	0.400	1
478	1	51	LEU	H	H	8.079	0.020	1
479	1	51	LEU	HA	H	3.904	0.020	1
480	1	51	LEU	HB2	H	1.618	0.020	2
481	1	51	LEU	HG	H	0.706	0.020	1
482	1	51	LEU	HD11	H	0.724	0.020	2
483	1	51	LEU	HD12	H	0.724	0.020	2
484	1	51	LEU	HD13	H	0.724	0.020	2
485	1	51	LEU	CA	C	55.031	0.400	1
486	1	51	LEU	CB	C	39.364	0.400	1
487	1	51	LEU	CD1	C	21.731	0.400	1
488	1	52	GLU	H	H	8.698	0.020	1
489	1	52	GLU	HA	H	3.885	0.020	1
490	1	52	GLU	HB2	H	1.863	0.020	2
491	1	52	GLU	HB3	H	1.969	0.020	2
492	1	52	GLU	HG2	H	2.176	0.020	2
493	1	52	GLU	HG3	H	2.218	0.020	2
494	1	52	GLU	CA	C	57.354	0.400	1
495	1	52	GLU	CB	C	26.425	0.400	1
496	1	52	GLU	CG	C	33.690	0.400	1
497	1	53	ALA	H	H	7.819	0.020	1
498	1	53	ALA	HA	H	4.053	0.020	1
499	1	53	ALA	HB1	H	1.440	0.020	1
500	1	53	ALA	HB2	H	1.440	0.020	1
501	1	53	ALA	HB3	H	1.440	0.020	1
502	1	53	ALA	CA	C	52.118	0.400	1
503	1	53	ALA	CB	C	15.257	0.400	1
504	1	54	LEU	H	H	8.006	0.020	1
505	1	54	LEU	HA	H	4.312	0.020	1
506	1	54	LEU	HB2	H	1.507	0.020	2
507	1	54	LEU	HG	H	1.412	0.020	1
508	1	54	LEU	HD11	H	0.792	0.020	2
509	1	54	LEU	HD12	H	0.792	0.020	2
510	1	54	LEU	HD13	H	0.792	0.020	2
511	1	54	LEU	HD21	H	0.608	0.020	2
512	1	54	LEU	HD22	H	0.608	0.020	2
513	1	54	LEU	HD23	H	0.608	0.020	2
514	1	54	LEU	CA	C	52.431	0.400	1
515	1	54	LEU	CB	C	39.817	0.400	1
516	1	54	LEU	CG	C	24.235	0.400	1
517	1	54	LEU	CD1	C	20.567	0.400	1
518	1	54	LEU	CD2	C	21.422	0.400	1
519	1	55	THR	H	H	8.123	0.020	1
520	1	55	THR	HA	H	3.481	0.020	1
521	1	55	THR	HB	H	4.124	0.020	1
522	1	55	THR	HG1	H	0.975	0.020	1
523	1	55	THR	HG21	H	0.995	0.020	1
524	1	55	THR	HG22	H	0.995	0.020	1
525	1	55	THR	HG23	H	0.995	0.020	1
526	1	55	THR	CA	C	63.410	0.400	1
527	1	55	THR	CB	C	65.504	0.400	1
528	1	55	THR	CG2	C	18.921	0.400	1
529	1	56	GLN	H	H	7.645	0.020	1
530	1	56	GLN	HA	H	3.950	0.020	1
531	1	56	GLN	HB2	H	2.059	0.020	2
532	1	56	GLN	HB3	H	2.059	0.020	2
533	1	56	GLN	HG2	H	2.315	0.020	2
534	1	56	GLN	HG3	H	2.420	0.020	2
535	1	56	GLN	HE21	H	6.746	0.020	2
536	1	56	GLN	HE22	H	7.381	0.020	2
537	1	56	GLN	CA	C	55.559	0.400	1
538	1	56	GLN	CB	C	25.776	0.400	1
539	1	56	GLN	CG	C	31.388	0.400	1
540	1	57	LYS	H	H	7.609	0.020	1
541	1	57	LYS	HA	H	4.020	0.020	1
542	1	57	LYS	HB2	H	1.792	0.020	2
543	1	57	LYS	HB3	H	1.895	0.020	2
544	1	57	LYS	HD2	H	1.529	0.020	2
545	1	57	LYS	HD3	H	1.644	0.020	2
546	1	57	LYS	HE2	H	3.157	0.020	2
547	1	57	LYS	HE3	H	2.947	0.020	2
548	1	57	LYS	HZ1	H	3.978	0.020	1
549	1	57	LYS	HZ2	H	3.978	0.020	1
550	1	57	LYS	HZ3	H	3.978	0.020	1
551	1	57	LYS	CA	C	56.191	0.400	1
552	1	57	LYS	CB	C	30.112	0.400	1
553	1	57	LYS	CD	C	26.443	0.400	1
554	1	57	LYS	CE	C	39.576	0.400	1
555	1	58	VAL	H	H	7.838	0.020	1
556	1	58	VAL	HA	H	3.376	0.020	1
557	1	58	VAL	HB	H	1.655	0.020	1
558	1	58	VAL	HG11	H	0.217	0.020	2
559	1	58	VAL	HG12	H	0.217	0.020	2
560	1	58	VAL	HG13	H	0.217	0.020	2
561	1	58	VAL	HG21	H	0.341	0.020	2
562	1	58	VAL	HG22	H	0.341	0.020	2
563	1	58	VAL	HG23	H	0.341	0.020	2
564	1	58	VAL	CA	C	61.840	0.400	1
565	1	58	VAL	CB	C	28.342	0.400	1
566	1	58	VAL	CG1	C	16.827	0.400	1
567	1	58	VAL	CG2	C	17.874	0.400	1
568	1	59	HIS	H	H	7.831	0.020	1
569	1	59	HIS	HA	H	4.279	0.020	1
570	1	59	HIS	HB2	H	3.070	0.020	2
571	1	59	HIS	HD2	H	7.901	0.020	1
572	1	59	HIS	HE1	H	7.907	0.020	1
573	1	59	HIS	CA	C	55.559	0.400	1
574	1	59	HIS	CB	C	27.295	0.400	1
575	1	59	HIS	CE1	C	135.178	0.400	1
576	1	60	ASN	H	H	8.345	0.020	1
577	1	60	ASN	HA	H	4.499	0.020	1
578	1	60	ASN	HB2	H	2.662	0.020	2
579	1	60	ASN	HB3	H	2.734	0.020	2
580	1	60	ASN	HD21	H	6.853	0.020	2
581	1	60	ASN	HD22	H	7.458	0.020	2
582	1	60	ASN	CA	C	51.372	0.400	1
583	1	60	ASN	CB	C	35.670	0.400	1
584	1	61	PHE	H	H	8.728	0.020	1
585	1	61	PHE	HA	H	5.201	0.020	1
586	1	61	PHE	HB2	H	2.849	0.020	2
587	1	61	PHE	HB3	H	2.330	0.020	2
588	1	61	PHE	HD1	H	6.683	0.020	3
589	1	61	PHE	HD2	H	6.683	0.020	3
590	1	61	PHE	HE1	H	6.945	0.020	3
591	1	61	PHE	HE2	H	6.945	0.020	3
592	1	61	PHE	CA	C	55.120	0.400	1
593	1	61	PHE	CB	C	37.763	0.400	1
594	1	61	PHE	CD1	C	129.854	0.400	1
595	1	61	PHE	CE1	C	62.887	0.400	1
596	1	62	GLN	H	H	8.720	0.020	1
597	1	62	GLN	HB2	H	2.054	0.020	2
598	1	62	GLN	HG2	H	2.303	0.020	2
599	1	62	GLN	HG3	H	2.412	0.020	2
600	1	62	GLN	HE21	H	6.813	0.020	2
601	1	62	GLN	HE22	H	7.616	0.020	2
602	1	62	GLN	CB	C	25.696	0.400	1
603	1	62	GLN	CG	C	31.095	0.400	1
604	1	63	MET	H	H	7.825	0.020	1
605	1	63	MET	HA	H	4.079	0.020	1
606	1	63	MET	HB2	H	2.033	0.020	2
607	1	63	MET	HB3	H	2.634	0.020	2
608	1	63	MET	HG2	H	2.404	0.020	2
609	1	63	MET	HG3	H	2.500	0.020	2
610	1	63	MET	HE1	H	1.849	0.020	1
611	1	63	MET	HE2	H	1.849	0.020	1
612	1	63	MET	HE3	H	1.849	0.020	1
613	1	63	MET	CA	C	55.915	0.400	1
614	1	63	MET	CB	C	29.511	0.400	1
615	1	63	MET	CG	C	29.383	0.400	1
616	1	63	MET	CE	C	14.210	0.400	1
617	1	64	GLU	H	H	8.649	0.020	1
618	1	64	GLU	HA	H	4.061	0.020	1
619	1	64	GLU	HB2	H	1.443	0.020	2
620	1	64	GLU	HB3	H	2.041	0.020	2
621	1	64	GLU	HG2	H	1.839	0.020	2
622	1	64	GLU	HG3	H	2.034	0.020	2
623	1	64	GLU	CA	C	52.015	0.400	1
624	1	64	GLU	CB	C	29.944	0.400	1
625	1	64	GLU	CG	C	34.885	0.400	1
626	1	65	CYS	H	H	8.099	0.020	1
627	1	65	CYS	HA	H	4.856	0.020	1
628	1	65	CYS	HB2	H	2.516	0.020	2
629	1	65	CYS	HB3	H	2.725	0.020	2
630	1	65	CYS	CA	C	49.504	0.400	1
631	1	65	CYS	CB	C	38.888	0.400	1
632	1	66	SER	H	H	8.200	0.020	1
633	1	66	SER	HA	H	4.831	0.020	1
634	1	66	SER	HB2	H	4.134	0.020	2
635	1	66	SER	CA	C	59.746	0.400	1
636	1	66	SER	CB	C	65.504	0.400	1
637	1	67	LEU	H	H	8.094	0.020	1
638	1	67	LEU	HA	H	4.305	0.020	1
639	1	67	LEU	HB2	H	1.565	0.020	2
640	1	67	LEU	HB3	H	1.625	0.020	2
641	1	67	LEU	HG	H	1.604	0.020	1
642	1	67	LEU	HD11	H	0.870	0.020	2
643	1	67	LEU	HD12	H	0.870	0.020	2
644	1	67	LEU	HD13	H	0.870	0.020	2
645	1	67	LEU	HD21	H	0.901	0.020	2
646	1	67	LEU	HD22	H	0.901	0.020	2
647	1	67	LEU	HD23	H	0.901	0.020	2
648	1	67	LEU	CA	C	52.942	0.400	1
649	1	67	LEU	CB	C	39.533	0.400	1
650	1	67	LEU	CG	C	24.378	0.400	1
651	1	67	LEU	CD1	C	20.971	0.400	1
652	1	67	LEU	CD2	C	22.351	0.400	1
653	1	68	GLN	H	H	8.131	0.020	1
654	1	68	GLN	HA	H	4.260	0.020	1
655	1	68	GLN	HB2	H	2.053	0.020	2
656	1	68	GLN	HB3	H	1.882	0.020	2
657	1	68	GLN	HG2	H	2.301	0.020	2
658	1	68	GLN	HG3	H	2.301	0.020	2
659	1	68	GLN	HE21	H	6.827	0.020	2
660	1	68	GLN	HE22	H	7.465	0.020	2
661	1	68	GLN	CA	C	52.941	0.400	1
662	1	68	GLN	CB	C	26.010	0.400	1
663	1	68	GLN	CG	C	30.959	0.400	1
664	1	69	ALA	H	H	8.002	0.020	1
665	1	69	ALA	HA	H	4.282	0.020	1
666	1	69	ALA	HB1	H	1.368	0.020	1
667	1	69	ALA	HB2	H	1.368	0.020	1
668	1	69	ALA	HB3	H	1.368	0.020	1
669	1	69	ALA	CA	C	49.817	0.400	1
670	1	69	ALA	CB	C	16.807	0.400	1
671	1	70	LYS	H	H	8.172	0.020	1
672	1	70	LYS	HA	H	4.584	0.020	1
673	1	70	LYS	HB2	H	1.704	0.020	2
674	1	70	LYS	HB3	H	1.831	0.020	2
675	1	70	LYS	HG2	H	1.465	0.020	2
676	1	70	LYS	HD2	H	1.691	0.020	2
677	1	70	LYS	HE2	H	2.992	0.020	2
678	1	70	LYS	CA	C	51.429	0.400	1
679	1	70	LYS	CB	C	30.041	0.400	1
680	1	70	LYS	CG	C	21.575	0.400	1
681	1	70	LYS	CD	C	26.378	0.400	1
682	1	70	LYS	CE	C	39.454	0.400	1
683	1	71	PRO	HA	H	4.406	0.020	1
684	1	71	PRO	HB2	H	1.842	0.020	2
685	1	71	PRO	HB3	H	2.243	0.020	2
686	1	71	PRO	HG2	H	2.004	0.020	2
687	1	71	PRO	HG3	H	1.977	0.020	2
688	1	71	PRO	HD2	H	3.613	0.020	2
689	1	71	PRO	HD3	H	3.794	0.020	2
690	1	71	PRO	CA	C	60.030	0.400	1
691	1	71	PRO	CB	C	29.429	0.400	1
692	1	71	PRO	CG	C	24.709	0.400	1
693	1	71	PRO	CD	C	47.794	0.400	1
694	1	72	ALA	H	H	8.377	0.020	1
695	1	72	ALA	HA	H	4.289	0.020	1
696	1	72	ALA	HB1	H	1.331	0.020	1
697	1	72	ALA	HB2	H	1.331	0.020	1
698	1	72	ALA	HB3	H	1.331	0.020	1
699	1	72	ALA	CA	C	49.885	0.400	1
700	1	72	ALA	CB	C	16.702	0.400	1
701	1	73	VAL	H	H	7.975	0.020	1
702	1	73	VAL	HA	H	4.418	0.020	1
703	1	73	VAL	HB	H	2.055	0.020	1
704	1	73	VAL	HG11	H	0.903	0.020	2
705	1	73	VAL	HG12	H	0.903	0.020	2
706	1	73	VAL	HG13	H	0.903	0.020	2
707	1	73	VAL	HG21	H	0.952	0.020	2
708	1	73	VAL	HG22	H	0.952	0.020	2
709	1	73	VAL	HG23	H	0.952	0.020	2
710	1	73	VAL	CA	C	56.606	0.400	1
711	1	73	VAL	CB	C	29.981	0.400	1
712	1	73	VAL	CG1	C	17.383	0.400	1
713	1	73	VAL	CG2	C	18.492	0.400	1
714	1	74	PRO	HA	H	4.452	0.020	1
715	1	74	PRO	HB2	H	2.286	0.020	2
716	1	74	PRO	HB3	H	2.286	0.020	2
717	1	74	PRO	HG2	H	1.939	0.020	2
718	1	74	PRO	HG3	H	2.256	0.020	2
719	1	74	PRO	HD2	H	3.667	0.020	2
720	1	74	PRO	HD3	H	3.842	0.020	2
721	1	74	PRO	CA	C	60.603	0.400	1
722	1	74	PRO	CB	C	29.422	0.400	1
723	1	74	PRO	CG	C	29.386	0.400	1
724	1	74	PRO	CD	C	48.292	0.400	1
725	1	75	THR	H	H	8.168	0.020	1
726	1	75	THR	HA	H	4.277	0.020	1
727	1	75	THR	HB	H	4.228	0.020	1
728	1	75	THR	HG21	H	1.216	0.020	1
729	1	75	THR	HG22	H	1.216	0.020	1
730	1	75	THR	HG23	H	1.216	0.020	1
731	1	75	THR	CA	C	59.746	0.400	1
732	1	75	THR	CB	C	67.119	0.400	1
733	1	75	THR	CG2	C	18.914	0.400	1
734	1	76	SER	H	H	7.941	0.020	1
735	1	77	LYS	HA	H	4.311	0.020	1
736	1	77	LYS	HB2	H	1.701	0.020	2
737	1	77	LYS	HB3	H	1.840	0.020	2
738	1	77	LYS	HG2	H	1.387	0.020	2
739	1	77	LYS	HG3	H	1.432	0.020	2
740	1	77	LYS	HD2	H	1.649	0.020	2
741	1	77	LYS	HE2	H	2.967	0.020	2
742	1	77	LYS	HZ1	H	3.950	0.020	1
743	1	77	LYS	HZ2	H	3.950	0.020	1
744	1	77	LYS	HZ3	H	3.950	0.020	1
745	1	77	LYS	CA	C	53.571	0.400	1
746	1	77	LYS	CB	C	29.908	0.400	1
747	1	77	LYS	CG	C	22.156	0.400	1
748	1	77	LYS	CD	C	26.450	0.400	1
749	1	77	LYS	CE	C	39.558	0.400	1
750	1	78	LEU	H	H	8.110	0.020	1
751	1	78	LEU	HA	H	4.283	0.020	1
752	1	78	LEU	HB2	H	1.609	0.020	2
753	1	78	LEU	HD21	H	0.880	0.020	2
754	1	78	LEU	HD22	H	0.880	0.020	2
755	1	78	LEU	HD23	H	0.880	0.020	2
756	1	78	LEU	CA	C	52.947	0.400	1
757	1	78	LEU	CB	C	39.857	0.400	1
758	1	78	LEU	CD2	C	22.365	0.400	1
759	1	79	GLY	H	H	7.633	0.020	1
760	1	79	GLY	HA2	H	3.823	0.020	2
761	1	79	GLY	HA3	H	3.908	0.020	2
762	1	79	GLY	CA	C	44.542	0.400	1
763	1	80	GLN	H	H	8.440	0.020	1
764	1	80	GLN	HA	H	4.253	0.020	1
765	1	80	GLN	HB3	H	1.905	0.020	2
766	1	80	GLN	HG2	H	2.265	0.020	2
767	1	80	GLN	HG3	H	2.265	0.020	2
768	1	80	GLN	HE21	H	6.721	0.020	2
769	1	80	GLN	HE22	H	7.381	0.020	2
770	1	80	GLN	CA	C	53.117	0.400	1
771	1	80	GLN	CB	C	26.248	0.400	1
772	1	80	GLN	CG	C	31.043	0.400	1
773	1	81	ALA	H	H	8.035	0.020	1
774	1	81	ALA	HA	H	4.264	0.020	1
775	1	81	ALA	HB1	H	1.353	0.020	1
776	1	81	ALA	HB2	H	1.353	0.020	1
777	1	81	ALA	HB3	H	1.353	0.020	1
778	1	81	ALA	CA	C	49.774	0.400	1
779	1	81	ALA	CB	C	16.594	0.400	1
780	1	82	GLU	H	H	8.354	0.020	1
781	1	82	GLU	HA	H	4.251	0.020	1
782	1	82	GLU	HB2	H	1.930	0.020	2
783	1	82	GLU	HB3	H	2.038	0.020	2
784	1	82	GLU	HG2	H	2.241	0.020	2
785	1	82	GLU	HG3	H	2.241	0.020	2
786	1	82	GLU	CA	C	54.174	0.400	1
787	1	82	GLU	CB	C	27.699	0.400	1
788	1	82	GLU	CG	C	33.608	0.400	1
789	1	83	GLY	H	H	8.391	0.020	1
790	1	83	GLY	HA2	H	3.935	0.020	2
791	1	83	GLY	CA	C	42.635	0.400	1
792	1	84	ARG	H	H	8.100	0.020	1
793	1	84	ARG	HA	H	4.318	0.020	1
794	1	84	ARG	HB2	H	1.746	0.020	2
795	1	84	ARG	HB3	H	1.825	0.020	2
796	1	84	ARG	HG2	H	1.574	0.020	2
797	1	84	ARG	HG3	H	1.816	0.020	2
798	1	84	ARG	HD2	H	3.149	0.020	2
799	1	84	ARG	HE	H	7.269	0.020	1
800	1	84	ARG	HH11	H	7.269	0.020	2
801	1	84	ARG	HH12	H	7.269	0.020	2
802	1	84	ARG	HH21	H	7.304	0.020	2
803	1	84	ARG	HH22	H	7.304	0.020	2
804	1	84	ARG	CA	C	53.442	0.400	1
805	1	84	ARG	CB	C	28.300	0.400	1
806	1	84	ARG	CG	C	28.299	0.400	1
807	1	84	ARG	CD	C	40.485	0.400	1
808	1	85	ASP	H	H	8.379	0.020	1
809	1	85	ASP	HA	H	4.576	0.020	1
810	1	85	ASP	HB2	H	2.618	0.020	2
811	1	85	ASP	HB3	H	2.704	0.020	2
812	1	85	ASP	CA	C	51.553	0.400	1
813	1	85	ASP	CB	C	38.287	0.400	1
814	1	86	ALA	H	H	8.260	0.020	1
815	1	86	ALA	HA	H	4.258	0.020	1
816	1	86	ALA	HB1	H	1.348	0.020	1
817	1	86	ALA	HB2	H	1.348	0.020	1
818	1	86	ALA	HB3	H	1.348	0.020	1
819	1	86	ALA	CA	C	49.954	0.400	1
820	1	86	ALA	CB	C	16.300	0.400	1
821	1	87	GLY	H	H	8.387	0.020	1
822	1	87	GLY	HA2	H	3.947	0.020	2
823	1	87	GLY	CA	C	42.910	0.400	1
824	1	88	SER	H	H	8.012	0.020	1
825	1	88	SER	HA	H	4.453	0.020	1
826	1	88	SER	HB2	H	3.822	0.020	2
827	1	88	SER	HB3	H	4.457	0.020	2
828	1	88	SER	HG	H	4.949	0.020	1
829	1	88	SER	CA	C	55.036	0.400	1
830	1	88	SER	CB	C	61.291	0.400	1
831	1	89	ALA	H	H	8.228	0.020	1
832	1	89	ALA	HA	H	4.573	0.020	1
833	1	89	ALA	HB1	H	1.322	0.020	1
834	1	89	ALA	HB2	H	1.322	0.020	1
835	1	89	ALA	HB3	H	1.322	0.020	1
836	1	89	ALA	CA	C	47.881	0.400	1
837	1	89	ALA	CB	C	15.257	0.400	1
838	1	90	PRO	HA	H	4.406	0.020	1
839	1	90	PRO	HB2	H	1.899	0.020	2
840	1	90	PRO	HB3	H	2.235	0.020	2
841	1	90	PRO	HG2	H	1.985	0.020	2
842	1	90	PRO	HD2	H	3.587	0.020	2
843	1	90	PRO	HD3	H	3.735	0.020	2
844	1	90	PRO	CA	C	60.505	0.400	1
845	1	90	PRO	CG	C	24.155	0.400	1
846	1	90	PRO	CD	C	47.753	0.400	1
847	1	91	SER	H	H	8.368	0.020	1
848	1	91	SER	HA	H	4.423	0.020	1
849	1	91	SER	HB2	H	3.831	0.020	2
850	1	91	SER	CA	C	55.687	0.400	1
851	1	91	SER	CB	C	61.383	0.400	1
852	1	92	GLY	H	H	8.346	0.020	1
853	1	92	GLY	HA2	H	3.925	0.020	2
854	1	92	GLY	HA3	H	4.049	0.020	2
855	1	92	GLY	CA	C	42.780	0.400	1
856	1	93	GLY	HA2	H	3.789	0.020	2
857	1	93	GLY	HA3	H	3.928	0.020	2
858	1	93	GLY	CA	C	42.418	0.400	1
859	1	94	ASP	H	H	8.104	0.020	1
860	1	94	ASP	HA	H	4.844	0.020	1
861	1	94	ASP	HB2	H	2.709	0.020	2
862	1	94	ASP	HB3	H	2.525	0.020	2
863	1	94	ASP	CA	C	49.429	0.400	1
864	1	94	ASP	CB	C	38.836	0.400	1
865	1	95	PRO	HA	H	4.242	0.020	1
866	1	95	PRO	HB2	H	1.848	0.020	2
867	1	95	PRO	HB3	H	2.188	0.020	2
868	1	95	PRO	HG2	H	1.968	0.020	2
869	1	95	PRO	HD2	H	3.791	0.020	2
870	1	95	PRO	HD3	H	3.865	0.020	2
871	1	95	PRO	CA	C	61.361	0.400	1
872	1	95	PRO	CB	C	28.865	0.400	1
873	1	95	PRO	CG	C	24.155	0.400	1
874	1	95	PRO	CD	C	48.273	0.400	1
875	1	96	ALA	H	H	8.358	0.020	1
876	1	96	ALA	HA	H	4.130	0.020	1
877	1	96	ALA	HB1	H	1.258	0.020	1
878	1	96	ALA	HB2	H	1.258	0.020	1
879	1	96	ALA	HB3	H	1.258	0.020	1
880	1	96	ALA	CA	C	50.325	0.400	1
881	1	96	ALA	CB	C	15.841	0.400	1
882	1	97	PHE	H	H	7.816	0.020	1
883	1	97	PHE	HA	H	4.548	0.020	1
884	1	97	PHE	HB2	H	3.103	0.020	2
885	1	97	PHE	HD1	H	7.243	0.020	3
886	1	97	PHE	HD2	H	7.243	0.020	3
887	1	97	PHE	HZ	H	6.643	0.020	1
888	1	97	PHE	CA	C	55.534	0.400	1
889	1	97	PHE	CB	C	36.896	0.400	1
890	1	97	PHE	CD1	C	78.582	0.400	1
891	1	97	PHE	CE2	C	105.649	0.400	1
892	1	97	PHE	CZ	C	65.504	0.400	1
893	1	98	LEU	H	H	7.947	0.020	1
894	1	98	LEU	HA	H	4.130	0.020	1
895	1	98	LEU	HB2	H	1.347	0.020	2
896	1	98	LEU	HB3	H	1.505	0.020	2
897	1	98	LEU	HG	H	1.537	0.020	1
898	1	98	LEU	HD11	H	0.787	0.020	2
899	1	98	LEU	HD12	H	0.787	0.020	2
900	1	98	LEU	HD13	H	0.787	0.020	2
901	1	98	LEU	HD21	H	0.772	0.020	2
902	1	98	LEU	HD22	H	0.772	0.020	2
903	1	98	LEU	HD23	H	0.772	0.020	2
904	1	98	LEU	CA	C	52.401	0.400	1
905	1	98	LEU	CB	C	40.306	0.400	1
906	1	98	LEU	CG	C	26.654	0.400	1
907	1	98	LEU	CD1	C	20.033	0.400	1
908	1	98	LEU	CD2	C	23.187	0.400	1
909	1	99	GLY	H	H	6.800	0.020	1
910	1	99	GLY	HA2	H	3.581	0.020	2
911	1	99	GLY	HA3	H	4.222	0.020	2
912	1	99	GLY	CA	C	41.427	0.400	1
913	1	100	MET	H	H	8.723	0.020	1
914	1	100	MET	HA	H	4.070	0.020	1
915	1	100	MET	HB2	H	2.005	0.020	2
916	1	100	MET	HB3	H	2.108	0.020	2
917	1	100	MET	HG2	H	2.497	0.020	2
918	1	100	MET	HG3	H	2.647	0.020	2
919	1	100	MET	HE1	H	2.037	0.020	1
920	1	100	MET	HE2	H	2.037	0.020	1
921	1	100	MET	HE3	H	2.037	0.020	1
922	1	100	MET	CA	C	55.559	0.400	1
923	1	100	MET	CB	C	29.436	0.400	1
924	1	100	MET	CG	C	29.388	0.400	1
925	1	100	MET	CE	C	14.247	0.400	1
926	1	101	ALA	H	H	8.758	0.020	1
927	1	101	ALA	HB1	H	1.352	0.020	1
928	1	101	ALA	HB2	H	1.352	0.020	1
929	1	101	ALA	HB3	H	1.352	0.020	1
930	1	101	ALA	CB	C	16.557	0.400	1
931	1	102	VAL	H	H	9.034	0.020	1
932	1	102	VAL	HA	H	3.224	0.020	1
933	1	102	VAL	HB	H	1.919	0.020	1
934	1	102	VAL	HG11	H	0.731	0.020	2
935	1	102	VAL	HG12	H	0.731	0.020	2
936	1	102	VAL	HG13	H	0.731	0.020	2
937	1	102	VAL	HG21	H	0.883	0.020	2
938	1	102	VAL	HG22	H	0.883	0.020	2
939	1	102	VAL	HG23	H	0.883	0.020	2
940	1	102	VAL	CA	C	64.434	0.400	1
941	1	102	VAL	CB	C	27.927	0.400	1
942	1	102	VAL	CG1	C	20.138	0.400	1
943	1	102	VAL	CG2	C	21.481	0.400	1
944	1	103	SER	H	H	7.691	0.020	1
945	1	103	SER	HA	H	3.849	0.020	1
946	1	103	SER	HB2	H	3.823	0.020	2
947	1	103	SER	CA	C	59.996	0.400	1
948	1	103	SER	CB	C	59.926	0.400	1
949	1	104	THR	H	H	7.660	0.020	1
950	1	104	THR	HA	H	3.957	0.020	1
951	1	104	THR	HB	H	4.182	0.020	1
952	1	104	THR	HG1	H	0.750	0.020	1
953	1	104	THR	HG21	H	1.120	0.020	1
954	1	104	THR	HG22	H	1.120	0.020	1
955	1	104	THR	HG23	H	1.120	0.020	1
956	1	104	THR	CA	C	63.398	0.400	1
957	1	104	THR	CB	C	66.261	0.400	1
958	1	104	THR	CG2	C	18.428	0.400	1
959	1	105	LEU	H	H	7.936	0.020	1
960	1	105	LEU	HA	H	4.178	0.020	1
961	1	105	LEU	HB2	H	1.360	0.020	2
962	1	105	LEU	HB3	H	1.360	0.020	2
963	1	105	LEU	HG	H	1.784	0.020	1
964	1	105	LEU	HD11	H	0.753	0.020	2
965	1	105	LEU	HD12	H	0.753	0.020	2
966	1	105	LEU	HD13	H	0.753	0.020	2
967	1	105	LEU	HD21	H	0.734	0.020	2
968	1	105	LEU	HD22	H	0.734	0.020	2
969	1	105	LEU	HD23	H	0.734	0.020	2
970	1	105	LEU	CA	C	53.989	0.400	1
971	1	105	LEU	CB	C	39.857	0.400	1
972	1	105	LEU	CG	C	23.631	0.400	1
973	1	105	LEU	CD1	C	19.625	0.400	1
974	1	105	LEU	CD2	C	23.197	0.400	1
975	1	106	CYS	H	H	8.114	0.020	1
976	1	106	CYS	HA	H	3.860	0.020	1
977	1	106	CYS	HB2	H	2.948	0.020	2
978	1	106	CYS	HB3	H	2.989	0.020	2
979	1	106	CYS	CB	C	40.380	0.400	1
980	1	107	GLY	H	H	7.452	0.020	1
981	1	107	GLY	HA2	H	3.821	0.020	2
982	1	107	GLY	HA3	H	3.902	0.020	2
983	1	107	GLY	CA	C	44.595	0.400	1
984	1	108	GLU	H	H	8.450	0.020	1
985	1	108	GLU	HA	H	4.404	0.020	1
986	1	108	GLU	HB2	H	1.772	0.020	2
987	1	108	GLU	HB3	H	2.222	0.020	2
988	1	108	GLU	HG2	H	2.159	0.020	2
989	1	108	GLU	HG3	H	2.159	0.020	2
990	1	108	GLU	CA	C	53.072	0.400	1
991	1	108	GLU	CB	C	27.221	0.400	1
992	1	108	GLU	CG	C	33.613	0.400	1
993	1	109	VAL	H	H	7.201	0.020	1
994	1	109	VAL	HA	H	4.910	0.020	1
995	1	109	VAL	HB	H	2.203	0.020	1
996	1	109	VAL	HG11	H	0.630	0.020	2
997	1	109	VAL	HG12	H	0.630	0.020	2
998	1	109	VAL	HG13	H	0.630	0.020	2
999	1	109	VAL	HG21	H	0.721	0.020	2
1000	1	109	VAL	HG22	H	0.721	0.020	2
1001	1	109	VAL	HG23	H	0.721	0.020	2
1002	1	109	VAL	CA	C	53.465	0.400	1
1003	1	109	VAL	CB	C	29.486	0.400	1
1004	1	109	VAL	CG1	C	15.828	0.400	1
1005	1	109	VAL	CG2	C	18.397	0.400	1
1006	1	110	PRO	HA	H	4.114	0.020	1
1007	1	110	PRO	HB2	H	1.417	0.020	2
1008	1	110	PRO	HB3	H	1.449	0.020	2
1009	1	110	PRO	HG2	H	1.908	0.020	2
1010	1	110	PRO	HG3	H	2.025	0.020	2
1011	1	110	PRO	HD2	H	3.617	0.020	2
1012	1	110	PRO	HD3	H	4.014	0.020	2
1013	1	110	PRO	CA	C	60.337	0.400	1
1014	1	110	PRO	CB	C	29.389	0.400	1
1015	1	110	PRO	CG	C	25.166	0.400	1
1016	1	110	PRO	CD	C	47.185	0.400	1
1017	1	111	LEU	H	H	7.555	0.020	1
1018	1	111	LEU	HB2	H	0.847	0.020	2
1019	1	111	LEU	HB3	H	1.562	0.020	2
1020	1	111	LEU	HG	H	0.636	0.020	1
1021	1	111	LEU	HD11	H	0.646	0.020	2
1022	1	111	LEU	HD12	H	0.646	0.020	2
1023	1	111	LEU	HD13	H	0.646	0.020	2
1024	1	111	LEU	HD21	H	0.774	0.020	2
1025	1	111	LEU	HD22	H	0.774	0.020	2
1026	1	111	LEU	HD23	H	0.774	0.020	2
1027	1	111	LEU	CB	C	40.987	0.400	1
1028	1	111	LEU	CG	C	21.963	0.400	1
1029	1	111	LEU	CD1	C	22.123	0.400	1
1030	1	111	LEU	CD2	C	23.460	0.400	1
1031	1	112	TYR	H	H	8.083	0.020	1
1032	1	112	TYR	HA	H	4.549	0.020	1
1033	1	112	TYR	HB2	H	2.939	0.020	2
1034	1	112	TYR	HB3	H	2.989	0.020	2
1035	1	112	TYR	HD1	H	7.080	0.020	3
1036	1	112	TYR	HD2	H	7.080	0.020	3
1037	1	112	TYR	HE1	H	6.648	0.020	3
1038	1	112	TYR	HE2	H	6.648	0.020	3
1039	1	112	TYR	CA	C	54.512	0.400	1
1040	1	112	TYR	CB	C	36.717	0.400	1
1041	1	112	TYR	CD1	C	61.840	0.400	1
1042	1	112	TYR	CE1	C	114.754	0.400	1
1043	1	113	TYR	H	H	8.735	0.020	1
1044	1	113	TYR	HA	H	5.189	0.020	1
1045	1	113	TYR	HB2	H	2.863	0.020	2
1046	1	113	TYR	HB3	H	3.047	0.020	2
1047	1	113	TYR	HD1	H	7.109	0.020	3
1048	1	113	TYR	HD2	H	7.109	0.020	3
1049	1	113	TYR	HE1	H	6.651	0.020	3
1050	1	113	TYR	HE2	H	6.651	0.020	3
1051	1	113	TYR	CA	C	55.036	0.400	1
1052	1	113	TYR	CB	C	35.889	0.400	1
1053	1	113	TYR	CD1	C	130.065	0.400	1
1054	1	113	TYR	CE1	C	47.708	0.400	1
1055	1	114	ILE	H	H	7.934	0.020	1
1056	1	114	ILE	HA	H	4.317	0.020	1
1057	1	114	ILE	HB	H	1.913	0.020	1
1058	1	114	ILE	HG12	H	1.004	0.020	2
1059	1	114	ILE	HG13	H	1.358	0.020	2
1060	1	114	ILE	HG21	H	0.723	0.020	1
1061	1	114	ILE	HG22	H	0.723	0.020	1
1062	1	114	ILE	HG23	H	0.723	0.020	1
1063	1	114	ILE	HD11	H	0.711	0.020	1
1064	1	114	ILE	HD12	H	0.711	0.020	1
1065	1	114	ILE	HD13	H	0.711	0.020	1
1066	1	114	ILE	C	C	15.257	0.400	1
1067	1	114	ILE	CA	C	59.235	0.400	1
1068	1	114	ILE	CB	C	37.240	0.400	1
1069	1	114	ILE	CG1	C	24.229	0.400	1
1070	1	114	ILE	CG2	C	15.970	0.400	1
1071	1	114	ILE	CD1	C	11.472	0.400	1

Release date

2023-11-08

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 : 24 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 protein	[U-13C; U-15N]	1 mM
2	sodium phosphate	none	25 mM
3	sodium chloride	none	25 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34811_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	oxidized, CA 53.989, CB 40.118 ppm	oxidized, CA 49.504, CB 38.888 ppm	n/a
1:38:CYS:SG	1:106:CYS:SG	oxidized, CA 51.82, CB 44.568 ppm	oxidized, CB 40.38 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr34811_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1071		100.0 (chain: 1, length: 114)
1	Chemical shift references	chem_shift_reference_1	OK	2		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: 100.0%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
GSEHLVTTATFSIGSTGLVVYDYQQLLIAYIPAPGTCCYIMKIAPESIPSLEALTQKVHNFQMECSLQAKPAVPTSKLGQAEGRDAGSAPSGGDPAFLGM
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSEHLVTTATFSIGSTGLVVYDYQQLLIAYIPAPGTCCYIMKIAPESIPSLEALTQKVHNFQMECSLQAKPAVPTSKLGQAEGRDAGSAPSGGDPAFLGM

-------110----
AVSTLCGEVPLYYI
||||||||||||||
AVSTLCGEVPLYYI

Total number of assignments
- ¹H chemical shifts: 730
- ¹³C chemical shifts: 341

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
2	SER	HG	2.197
4	HIS	HD1	8.371
36	THR	HG1	1.094
55	THR	HG1	0.975
57	LYS	HZ1	3.978
57	LYS	HZ2	3.978
57	LYS	HZ3	3.978
77	LYS	HZ1	3.95
77	LYS	HZ2	3.95
77	LYS	HZ3	3.95
84	ARG	HH11	7.269
84	ARG	HH12	7.269
84	ARG	HH21	7.304
84	ARG	HH22	7.304
88	SER	HG	4.949
104	THR	HG1	0.75

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	640	578	90.3
¹³C chemical shifts	500	341	68.2

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	230	221	96.1
¹³C chemical shifts	228	107	46.9

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	410	357	87.1
¹³C chemical shifts	272	234	86.0

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	73	68	93.2
¹³C chemical shifts	73	68	93.2

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	43	38	88.4
¹³C chemical shifts	43	23	53.5

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

Keywords CHAPERONE, PROTEIN

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