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BMRB: 34598

7NE8

Tick salivary protein BSAP1

Authors

Denisov, S.S., Ippel, J.H., Castoldi, E., Hackeng, T.M., Dijkgraaf, I.

Assembly

tick salivary protein BSAP1

Entity

1. tick salivary protein BSAP1 (polymer, Thiol state: all disulfide bound), 86 monomers, 9624.141 Da Detail

DSEFPCPRKQ QPAGNSECSY YCEMNGQWKL GKFQNGARCD YNAVKDGVCN EGLCYASGDS ASNTQNQGGS RRQENEDQGD DEWDRK

Formula weight

9624.141 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS6:SG	1:CYS22:SG
2	disulfide	sing	1:CYS18:SG	1:CYS49:SG
3	disulfide	sing	1:CYS39:SG	1:CYS54:SG

Source organism

Ornithodoros savignyi

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 521, ¹³C: 241, ¹⁵N: 98 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err
1	1	1	ASP	HA	H	4.574	0.00
2	1	1	ASP	HB2	H	2.607	0.00
3	1	1	ASP	HB3	H	2.783	0.00
4	1	1	ASP	CA	C	54.499	0.00
5	1	1	ASP	CB	C	41.599	0.00
6	1	2	SER	H	H	8.442	0.00
7	1	2	SER	HA	H	4.305	0.00
8	1	2	SER	HB2	H	3.776	0.00
9	1	2	SER	HB3	H	3.889	0.00
10	1	2	SER	CA	C	59.191	0.00
11	1	2	SER	CB	C	63.726	0.00
12	1	2	SER	N	N	116.679	0.01
13	1	3	GLU	H	H	8.267	0.00
14	1	3	GLU	HA	H	4.214	0.00
15	1	3	GLU	HB2	H	1.927	0.00
16	1	3	GLU	HB3	H	1.927	0.00
17	1	3	GLU	HG2	H	2.107	0.00
18	1	3	GLU	HG3	H	2.220	0.00
19	1	3	GLU	CA	C	57.098	0.00
20	1	3	GLU	CB	C	30.686	0.00
21	1	3	GLU	CG	C	36.489	0.00
22	1	3	GLU	N	N	121.938	0.00
23	1	4	PHE	H	H	8.161	0.00
24	1	4	PHE	HA	H	4.915	0.00
25	1	4	PHE	HB2	H	2.822	0.00
26	1	4	PHE	HB3	H	2.822	0.00
27	1	4	PHE	HD1	H	6.806	0.00
28	1	4	PHE	HD2	H	6.806	0.00
29	1	4	PHE	HE1	H	7.198	0.00
30	1	4	PHE	HE2	H	7.198	0.00
31	1	4	PHE	HZ	H	7.137	0.00
32	1	4	PHE	CA	C	55.039	0.00
33	1	4	PHE	CB	C	40.618	0.00
34	1	4	PHE	CD1	C	132.831	0.00
35	1	4	PHE	CD2	C	132.831	0.00
36	1	4	PHE	CE1	C	131.181	0.00
37	1	4	PHE	CE2	C	131.181	0.00
38	1	4	PHE	CZ	C	129.640	0.00
39	1	4	PHE	N	N	117.162	0.00
40	1	5	PRO	HA	H	4.546	0.00
41	1	5	PRO	HB2	H	1.913	0.00
42	1	5	PRO	HB3	H	2.216	0.00
43	1	5	PRO	HG2	H	1.919	0.00
44	1	5	PRO	HG3	H	1.975	0.00
45	1	5	PRO	HD2	H	3.359	0.00
46	1	5	PRO	HD3	H	4.110	0.00
47	1	5	PRO	CA	C	64.164	0.00
48	1	5	PRO	CB	C	32.564	0.00
49	1	5	PRO	CG	C	27.382	0.00
50	1	5	PRO	CD	C	49.606	0.00
51	1	6	CYS	H	H	7.846	0.00
52	1	6	CYS	HA	H	4.537	0.00
53	1	6	CYS	HB2	H	2.360	0.00
54	1	6	CYS	HB3	H	2.978	0.00
55	1	6	CYS	CA	C	56.359	0.00
56	1	6	CYS	CB	C	40.824	0.00
57	1	6	CYS	N	N	120.182	0.00
58	1	7	PRO	HA	H	4.463	0.00
59	1	7	PRO	HB2	H	1.835	0.00
60	1	7	PRO	HB3	H	2.406	0.00
61	1	7	PRO	HG2	H	2.126	0.00
62	1	7	PRO	HG3	H	2.126	0.00
63	1	7	PRO	HD2	H	3.703	0.00
64	1	7	PRO	HD3	H	3.894	0.00
65	1	7	PRO	CA	C	63.147	0.00
66	1	7	PRO	CB	C	32.272	0.00
67	1	7	PRO	CG	C	27.914	0.00
68	1	7	PRO	CD	C	50.110	0.01
69	1	8	ARG	H	H	8.755	0.00
70	1	8	ARG	HA	H	5.007	0.00
71	1	8	ARG	HB2	H	1.769	0.00
72	1	8	ARG	HB3	H	1.845	0.00
73	1	8	ARG	HG2	H	1.561	0.00
74	1	8	ARG	HG3	H	1.561	0.00
75	1	8	ARG	HD2	H	3.092	0.00
76	1	8	ARG	HD3	H	3.135	0.00
77	1	8	ARG	CA	C	56.857	0.00
78	1	8	ARG	CB	C	30.131	0.00
79	1	8	ARG	CG	C	27.808	0.00
80	1	8	ARG	CD	C	44.026	0.00
81	1	8	ARG	N	N	125.803	0.01
82	1	9	LYS	H	H	8.513	0.00
83	1	9	LYS	HA	H	4.760	0.00
84	1	9	LYS	HB2	H	1.544	0.00
85	1	9	LYS	HB3	H	1.699	0.00
86	1	9	LYS	HG2	H	1.194	0.00
87	1	9	LYS	HG3	H	1.272	0.00
88	1	9	LYS	HD2	H	1.041	0.01
89	1	9	LYS	HD3	H	1.041	0.01
90	1	9	LYS	HE2	H	2.284	0.00
91	1	9	LYS	HE3	H	2.655	0.00
92	1	9	LYS	CA	C	54.756	0.00
93	1	9	LYS	CB	C	37.141	0.00
94	1	9	LYS	CG	C	24.394	0.01
95	1	9	LYS	CD	C	29.219	0.00
96	1	9	LYS	CE	C	41.840	0.00
97	1	9	LYS	N	N	124.727	0.00
98	1	10	GLN	H	H	8.108	0.00
99	1	10	GLN	HA	H	4.399	0.00
100	1	10	GLN	HB2	H	1.783	0.00
101	1	10	GLN	HB3	H	1.783	0.00
102	1	10	GLN	HG2	H	2.234	0.00
103	1	10	GLN	HG3	H	2.289	0.00
104	1	10	GLN	HE21	H	7.465	0.00
105	1	10	GLN	HE22	H	6.719	0.00
106	1	10	GLN	CA	C	54.472	0.00
107	1	10	GLN	CB	C	29.344	0.00
108	1	10	GLN	CG	C	33.948	0.00
109	1	10	GLN	N	N	118.309	0.00
110	1	10	GLN	NE2	N	111.721	0.00
111	1	11	GLN	H	H	9.063	0.00
112	1	11	GLN	HA	H	2.133	0.00
113	1	11	GLN	HB2	H	1.274	0.01
114	1	11	GLN	HB3	H	1.937	0.00
115	1	11	GLN	HG2	H	1.933	0.00
116	1	11	GLN	HG3	H	2.042	0.00
117	1	11	GLN	HE21	H	8.403	0.00
118	1	11	GLN	HE22	H	7.505	0.00
119	1	11	GLN	CA	C	53.876	0.00
120	1	11	GLN	CB	C	31.966	0.00
121	1	11	GLN	CG	C	34.255	0.01
122	1	11	GLN	N	N	127.633	0.00
123	1	11	GLN	NE2	N	114.773	0.00
124	1	12	PRO	HA	H	4.338	0.00
125	1	12	PRO	HB2	H	1.808	0.00
126	1	12	PRO	HB3	H	2.255	0.00
127	1	12	PRO	HG2	H	1.845	0.00
128	1	12	PRO	HG3	H	1.925	0.00
129	1	12	PRO	HD2	H	2.669	0.00
130	1	12	PRO	HD3	H	3.354	0.00
131	1	12	PRO	CA	C	62.434	0.00
132	1	12	PRO	CB	C	32.591	0.00
133	1	12	PRO	CG	C	26.819	0.00
134	1	12	PRO	CD	C	52.610	0.00
135	1	13	ALA	H	H	8.445	0.00
136	1	13	ALA	HA	H	4.106	0.00
137	1	13	ALA	HB1	H	1.350	0.00
138	1	13	ALA	HB2	H	1.350	0.00
139	1	13	ALA	HB3	H	1.350	0.00
140	1	13	ALA	CA	C	53.656	0.00
141	1	13	ALA	CB	C	17.960	0.00
142	1	13	ALA	N	N	124.496	0.00
143	1	14	GLY	H	H	8.723	0.00
144	1	14	GLY	HA2	H	3.689	0.00
145	1	14	GLY	HA3	H	4.106	0.00
146	1	14	GLY	CA	C	45.699	0.01
147	1	14	GLY	N	N	111.058	0.01
148	1	15	ASN	H	H	7.604	0.00
149	1	15	ASN	HA	H	4.810	0.00
150	1	15	ASN	HB2	H	2.396	0.00
151	1	15	ASN	HB3	H	2.737	0.00
152	1	15	ASN	HD21	H	7.653	0.00
153	1	15	ASN	HD22	H	7.571	0.00
154	1	15	ASN	CA	C	52.985	0.00
155	1	15	ASN	CB	C	41.611	0.00
156	1	15	ASN	N	N	121.709	0.00
157	1	15	ASN	ND2	N	111.949	0.00
158	1	16	SER	H	H	8.819	0.00
159	1	16	SER	HA	H	4.869	0.00
160	1	16	SER	HB2	H	3.871	0.00
161	1	16	SER	HB3	H	3.871	0.00
162	1	16	SER	CA	C	56.590	0.00
163	1	16	SER	CB	C	64.248	0.00
164	1	16	SER	N	N	120.300	0.00
165	1	17	GLU	H	H	9.069	0.00
166	1	17	GLU	HA	H	4.826	0.00
167	1	17	GLU	HB2	H	2.537	0.00
168	1	17	GLU	HB3	H	2.726	0.00
169	1	17	GLU	HG2	H	2.441	0.00
170	1	17	GLU	HG3	H	2.515	0.00
171	1	17	GLU	CA	C	55.385	0.00
172	1	17	GLU	CB	C	32.622	0.00
173	1	17	GLU	CG	C	37.331	0.00
174	1	17	GLU	N	N	121.871	0.00
175	1	18	CYS	H	H	8.617	0.00
176	1	18	CYS	HA	H	5.314	0.00
177	1	18	CYS	HB2	H	2.169	0.00
178	1	18	CYS	HB3	H	2.912	0.00
179	1	18	CYS	CA	C	54.104	0.00
180	1	18	CYS	CB	C	38.581	0.00
181	1	18	CYS	N	N	111.750	0.00
182	1	19	SER	H	H	7.622	0.00
183	1	19	SER	HA	H	4.689	0.00
184	1	19	SER	HB2	H	3.898	0.00
185	1	19	SER	HB3	H	3.985	0.00
186	1	19	SER	CA	C	55.918	0.00
187	1	19	SER	CB	C	66.845	0.00
188	1	19	SER	N	N	115.303	0.00
189	1	20	TYR	H	H	8.413	0.00
190	1	20	TYR	HA	H	4.737	0.01
191	1	20	TYR	HB2	H	2.848	0.00
192	1	20	TYR	HB3	H	3.094	0.00
193	1	20	TYR	HD1	H	7.138	0.00
194	1	20	TYR	HD2	H	7.138	0.00
195	1	20	TYR	CA	C	54.982	0.00
196	1	20	TYR	CB	C	41.394	0.01
197	1	20	TYR	N	N	116.992	0.00
198	1	21	TYR	H	H	8.476	0.00
199	1	21	TYR	HA	H	5.579	0.00
200	1	21	TYR	HB2	H	2.747	0.00
201	1	21	TYR	HB3	H	2.998	0.01
202	1	21	TYR	HD1	H	6.982	0.00
203	1	21	TYR	HD2	H	6.982	0.00
204	1	21	TYR	HE1	H	6.685	0.00
205	1	21	TYR	HE2	H	6.685	0.00
206	1	21	TYR	CA	C	56.998	0.00
207	1	21	TYR	CB	C	41.514	0.02
208	1	21	TYR	CD1	C	133.185	0.00
209	1	21	TYR	CD2	C	133.185	0.00
210	1	21	TYR	CE1	C	118.148	0.00
211	1	21	TYR	CE2	C	118.148	0.00
212	1	21	TYR	N	N	116.820	0.00
213	1	22	CYS	H	H	9.718	0.00
214	1	22	CYS	HA	H	5.449	0.00
215	1	22	CYS	HB2	H	3.216	0.00
216	1	22	CYS	HB3	H	3.375	0.00
217	1	22	CYS	CA	C	55.528	0.00
218	1	22	CYS	CB	C	43.859	0.00
219	1	22	CYS	N	N	122.684	0.00
220	1	23	GLU	H	H	8.333	0.00
221	1	23	GLU	HA	H	4.211	0.00
222	1	23	GLU	HB2	H	0.681	0.01
223	1	23	GLU	HB3	H	1.443	0.01
224	1	23	GLU	HG2	H	1.125	0.00
225	1	23	GLU	HG3	H	1.125	0.00
226	1	23	GLU	CA	C	55.156	0.00
227	1	23	GLU	CB	C	29.820	0.00
228	1	23	GLU	CG	C	35.918	0.00
229	1	23	GLU	N	N	124.012	0.00
230	1	24	MET	H	H	8.982	0.00
231	1	24	MET	HA	H	4.540	0.00
232	1	24	MET	HB2	H	1.702	0.00
233	1	24	MET	HB3	H	1.910	0.00
234	1	24	MET	HG2	H	2.405	0.00
235	1	24	MET	HG3	H	2.405	0.00
236	1	24	MET	HE1	H	2.000	0.00
237	1	24	MET	HE2	H	2.000	0.00
238	1	24	MET	HE3	H	2.000	0.00
239	1	24	MET	CA	C	54.717	0.00
240	1	24	MET	CB	C	35.005	0.00
241	1	24	MET	CG	C	32.066	0.00
242	1	24	MET	CE	C	16.911	0.00
243	1	24	MET	N	N	125.661	0.00
244	1	25	ASN	H	H	9.365	0.00
245	1	25	ASN	HA	H	4.294	0.00
246	1	25	ASN	HB2	H	2.677	0.00
247	1	25	ASN	HB3	H	3.005	0.00
248	1	25	ASN	HD21	H	7.538	0.00
249	1	25	ASN	HD22	H	6.863	0.00
250	1	25	ASN	CA	C	54.177	0.00
251	1	25	ASN	CB	C	37.660	0.00
252	1	25	ASN	N	N	124.312	0.01
253	1	25	ASN	ND2	N	112.381	0.00
254	1	26	GLY	H	H	8.758	0.00
255	1	26	GLY	HA2	H	3.557	0.01
256	1	26	GLY	HA3	H	4.032	0.00
257	1	26	GLY	CA	C	45.538	0.01
258	1	26	GLY	N	N	104.037	0.00
259	1	27	GLN	H	H	7.521	0.00
260	1	27	GLN	HA	H	4.630	0.00
261	1	27	GLN	HB2	H	1.896	0.00
262	1	27	GLN	HB3	H	2.103	0.00
263	1	27	GLN	HG2	H	2.312	0.00
264	1	27	GLN	HG3	H	2.312	0.00
265	1	27	GLN	HE21	H	7.527	0.00
266	1	27	GLN	HE22	H	6.874	0.00
267	1	27	GLN	CA	C	53.585	0.00
268	1	27	GLN	CB	C	32.379	0.01
269	1	27	GLN	CG	C	33.715	0.00
270	1	27	GLN	N	N	118.105	0.00
271	1	27	GLN	NE2	N	112.107	0.00
272	1	28	TRP	H	H	8.701	0.00
273	1	28	TRP	HA	H	5.131	0.00
274	1	28	TRP	HB2	H	3.005	0.00
275	1	28	TRP	HB3	H	3.005	0.00
276	1	28	TRP	HD1	H	7.187	0.00
277	1	28	TRP	HE1	H	9.945	0.01
278	1	28	TRP	HE3	H	7.314	0.00
279	1	28	TRP	HZ2	H	7.417	0.00
280	1	28	TRP	HZ3	H	6.997	0.01
281	1	28	TRP	HH2	H	7.220	0.01
282	1	28	TRP	CA	C	57.220	0.00
283	1	28	TRP	CB	C	29.413	0.00
284	1	28	TRP	CD1	C	127.269	0.00
285	1	28	TRP	CE3	C	119.876	0.00
286	1	28	TRP	CZ2	C	115.068	0.00
287	1	28	TRP	CZ3	C	121.651	0.00
288	1	28	TRP	CH2	C	124.712	0.00
289	1	28	TRP	N	N	122.815	0.00
290	1	28	TRP	NE1	N	128.819	0.00
291	1	29	LYS	H	H	9.443	0.00
292	1	29	LYS	HA	H	4.819	0.00
293	1	29	LYS	HB2	H	1.745	0.00
294	1	29	LYS	HB3	H	1.887	0.00
295	1	29	LYS	HG2	H	1.350	0.00
296	1	29	LYS	HG3	H	1.436	0.01
297	1	29	LYS	HD2	H	1.632	0.00
298	1	29	LYS	HD3	H	1.848	0.00
299	1	29	LYS	HE2	H	2.836	0.00
300	1	29	LYS	HE3	H	3.003	0.00
301	1	29	LYS	CA	C	53.107	0.00
302	1	29	LYS	CB	C	36.638	0.01
303	1	29	LYS	CG	C	24.691	0.00
304	1	29	LYS	CD	C	28.540	0.00
305	1	29	LYS	CE	C	42.584	0.00
306	1	29	LYS	N	N	126.142	0.00
307	1	30	LEU	H	H	8.051	0.00
308	1	30	LEU	HA	H	4.874	0.00
309	1	30	LEU	HB2	H	1.158	0.00
310	1	30	LEU	HB3	H	1.550	0.00
311	1	30	LEU	HG	H	1.227	0.00
312	1	30	LEU	HD11	H	0.516	0.00
313	1	30	LEU	HD12	H	0.516	0.00
314	1	30	LEU	HD13	H	0.516	0.00
315	1	30	LEU	HD21	H	0.074	0.00
316	1	30	LEU	HD22	H	0.074	0.00
317	1	30	LEU	HD23	H	0.074	0.00
318	1	30	LEU	CA	C	54.605	0.00
319	1	30	LEU	CB	C	46.544	0.00
320	1	30	LEU	CG	C	27.419	0.00
321	1	30	LEU	CD1	C	25.580	0.00
322	1	30	LEU	CD2	C	23.519	0.00
323	1	30	LEU	N	N	118.678	0.00
324	1	31	GLY	H	H	8.416	0.00
325	1	31	GLY	HA2	H	2.899	0.00
326	1	31	GLY	HA3	H	4.349	0.00
327	1	31	GLY	CA	C	44.564	0.00
328	1	31	GLY	N	N	104.555	0.00
329	1	32	LYS	H	H	8.706	0.00
330	1	32	LYS	HA	H	4.226	0.00
331	1	32	LYS	HB2	H	1.386	0.00
332	1	32	LYS	HB3	H	1.974	0.00
333	1	32	LYS	HG2	H	0.145	0.00
334	1	32	LYS	HG3	H	0.943	0.00
335	1	32	LYS	HD2	H	1.163	0.00
336	1	32	LYS	HD3	H	1.262	0.01
337	1	32	LYS	HE2	H	2.093	0.00
338	1	32	LYS	HE3	H	2.310	0.00
339	1	32	LYS	CA	C	56.320	0.00
340	1	32	LYS	CB	C	36.015	0.00
341	1	32	LYS	CG	C	25.947	0.00
342	1	32	LYS	CD	C	30.428	0.01
343	1	32	LYS	CE	C	41.832	0.00
344	1	32	LYS	N	N	119.359	0.00
345	1	33	PHE	H	H	7.156	0.00
346	1	33	PHE	HA	H	6.540	0.00
347	1	33	PHE	HB2	H	2.611	0.00
348	1	33	PHE	HB3	H	3.353	0.00
349	1	33	PHE	HD1	H	7.241	0.00
350	1	33	PHE	HD2	H	7.241	0.00
351	1	33	PHE	HE1	H	7.058	0.00
352	1	33	PHE	HE2	H	7.058	0.00
353	1	33	PHE	HZ	H	7.134	0.00
354	1	33	PHE	CA	C	53.125	0.00
355	1	33	PHE	CB	C	38.822	0.00
356	1	33	PHE	N	N	115.740	0.00
357	1	34	GLN	H	H	9.164	0.00
358	1	34	GLN	HA	H	4.218	0.00
359	1	34	GLN	HB2	H	2.054	0.00
360	1	34	GLN	HB3	H	2.105	0.00
361	1	34	GLN	HG2	H	2.311	0.00
362	1	34	GLN	HG3	H	2.549	0.00
363	1	34	GLN	HE21	H	7.566	0.00
364	1	34	GLN	HE22	H	7.265	0.11
365	1	34	GLN	CB	C	27.316	0.00
366	1	34	GLN	CG	C	32.689	0.00
367	1	34	GLN	N	N	124.832	0.00
368	1	34	GLN	NE2	N	110.498	0.00
369	1	35	ASN	H	H	8.718	0.00
370	1	35	ASN	HA	H	4.455	0.00
371	1	35	ASN	HB2	H	2.800	0.00
372	1	35	ASN	HB3	H	3.040	0.01
373	1	35	ASN	HD21	H	7.944	0.00
374	1	35	ASN	HD22	H	7.857	0.00
375	1	35	ASN	CA	C	53.342	0.00
376	1	35	ASN	CB	C	36.752	0.00
377	1	35	ASN	N	N	121.586	0.00
378	1	35	ASN	ND2	N	116.483	0.00
379	1	36	GLY	H	H	9.102	0.00
380	1	36	GLY	HA2	H	3.515	0.00
381	1	36	GLY	HA3	H	4.464	0.00
382	1	36	GLY	CA	C	45.168	0.01
383	1	36	GLY	N	N	110.743	0.00
384	1	37	ALA	H	H	7.146	0.00
385	1	37	ALA	HA	H	4.235	0.00
386	1	37	ALA	HB1	H	1.298	0.00
387	1	37	ALA	HB2	H	1.298	0.00
388	1	37	ALA	HB3	H	1.298	0.00
389	1	37	ALA	CB	C	18.085	0.00
390	1	37	ALA	N	N	122.333	0.00
391	1	38	ARG	H	H	8.865	0.00
392	1	38	ARG	HA	H	4.946	0.00
393	1	38	ARG	HB2	H	1.810	0.00
394	1	38	ARG	HB3	H	1.889	0.00
395	1	38	ARG	HG2	H	1.793	0.00
396	1	38	ARG	HG3	H	1.911	0.00
397	1	38	ARG	HD2	H	3.240	0.00
398	1	38	ARG	HD3	H	3.355	0.00
399	1	38	ARG	CA	C	54.602	0.00
400	1	38	ARG	CB	C	30.093	0.00
401	1	38	ARG	CG	C	26.861	0.01
402	1	38	ARG	CD	C	42.005	0.00
403	1	38	ARG	N	N	119.227	0.00
404	1	39	CYS	H	H	8.033	0.00
405	1	39	CYS	HA	H	5.007	0.00
406	1	39	CYS	HB2	H	2.802	0.00
407	1	39	CYS	HB3	H	3.039	0.01
408	1	39	CYS	CA	C	53.483	0.00
409	1	39	CYS	CB	C	49.623	0.00
410	1	39	CYS	N	N	116.344	0.00
411	1	40	ASP	H	H	7.943	0.00
412	1	40	ASP	HA	H	4.682	0.00
413	1	40	ASP	HB2	H	2.713	0.01
414	1	40	ASP	HB3	H	2.889	0.00
415	1	40	ASP	CA	C	54.826	0.00
416	1	40	ASP	CB	C	40.254	0.01
417	1	40	ASP	N	N	122.055	0.00
418	1	41	TYR	H	H	9.341	0.00
419	1	41	TYR	HA	H	4.481	0.00
420	1	41	TYR	HB2	H	2.653	0.00
421	1	41	TYR	HB3	H	3.056	0.00
422	1	41	TYR	HD1	H	6.838	0.00
423	1	41	TYR	HD2	H	6.838	0.00
424	1	41	TYR	HE1	H	6.836	0.00
425	1	41	TYR	HE2	H	6.836	0.00
426	1	41	TYR	CA	C	59.760	0.00
427	1	41	TYR	CB	C	38.484	0.00
428	1	41	TYR	CD1	C	133.003	0.00
429	1	41	TYR	CD2	C	133.003	0.00
430	1	41	TYR	CE1	C	118.665	0.00
431	1	41	TYR	CE2	C	118.665	0.00
432	1	41	TYR	N	N	129.654	0.01
433	1	42	ASN	HA	H	4.840	0.00
434	1	42	ASN	HB2	H	2.644	0.00
435	1	42	ASN	HD21	H	7.580	0.00
436	1	42	ASN	HD22	H	6.900	0.00
437	1	42	ASN	CA	C	53.099	0.00
438	1	42	ASN	ND2	N	112.071	0.01
439	1	43	ALA	H	H	8.696	0.00
440	1	43	ALA	HA	H	4.449	0.00
441	1	43	ALA	HB1	H	1.344	0.00
442	1	43	ALA	HB2	H	1.344	0.00
443	1	43	ALA	HB3	H	1.344	0.00
444	1	43	ALA	CA	C	52.065	0.00
445	1	43	ALA	CB	C	18.696	0.00
446	1	43	ALA	N	N	127.736	0.00
447	1	44	VAL	H	H	7.542	0.00
448	1	44	VAL	HA	H	4.373	0.00
449	1	44	VAL	HB	H	2.002	0.00
450	1	44	VAL	HG11	H	0.933	0.01
451	1	44	VAL	HG12	H	0.933	0.01
452	1	44	VAL	HG13	H	0.933	0.01
453	1	44	VAL	HG21	H	0.912	0.00
454	1	44	VAL	HG22	H	0.912	0.00
455	1	44	VAL	HG23	H	0.912	0.00
456	1	44	VAL	CA	C	61.495	0.00
457	1	44	VAL	CB	C	32.549	0.00
458	1	44	VAL	CG1	C	21.248	0.00
459	1	44	VAL	CG2	C	20.740	0.00
460	1	44	VAL	N	N	120.125	0.01
461	1	45	LYS	HA	H	4.735	0.00
462	1	45	LYS	HB3	H	1.582	0.00
463	1	45	LYS	HG2	H	1.140	0.00
464	1	45	LYS	HG3	H	1.573	0.00
465	1	45	LYS	HD2	H	1.575	0.00
466	1	45	LYS	HD3	H	1.619	0.00
467	1	45	LYS	HE2	H	2.970	0.00
468	1	45	LYS	HE3	H	2.970	0.00
469	1	45	LYS	CA	C	54.476	0.00
470	1	45	LYS	CB	C	33.147	0.00
471	1	45	LYS	CG	C	26.355	0.00
472	1	45	LYS	CD	C	29.448	0.00
473	1	45	LYS	CE	C	42.482	0.00
474	1	46	ASP	H	H	9.572	0.00
475	1	46	ASP	HA	H	4.665	0.00
476	1	46	ASP	HB2	H	2.586	0.00
477	1	46	ASP	HB3	H	2.869	0.00
478	1	46	ASP	CA	C	54.546	0.00
479	1	46	ASP	CB	C	41.031	0.00
480	1	47	GLY	H	H	9.109	0.00
481	1	47	GLY	HA2	H	3.607	0.00
482	1	47	GLY	HA3	H	4.795	0.00
483	1	47	GLY	CA	C	44.669	0.02
484	1	47	GLY	N	N	110.728	0.00
485	1	48	VAL	H	H	9.174	0.00
486	1	48	VAL	HA	H	4.992	0.00
487	1	48	VAL	HB	H	1.771	0.00
488	1	48	VAL	HG11	H	0.868	0.00
489	1	48	VAL	HG12	H	0.868	0.00
490	1	48	VAL	HG13	H	0.868	0.00
491	1	48	VAL	HG21	H	0.842	0.00
492	1	48	VAL	HG22	H	0.842	0.00
493	1	48	VAL	HG23	H	0.842	0.00
494	1	48	VAL	CA	C	60.047	0.00
495	1	48	VAL	CB	C	36.215	0.00
496	1	48	VAL	CG1	C	21.491	0.00
497	1	48	VAL	CG2	C	20.703	0.00
498	1	48	VAL	N	N	117.587	0.00
499	1	49	CYS	H	H	9.354	0.00
500	1	49	CYS	HA	H	5.439	0.00
501	1	49	CYS	HB2	H	2.762	0.00
502	1	49	CYS	HB3	H	3.337	0.01
503	1	49	CYS	CA	C	53.780	0.00
504	1	49	CYS	CB	C	37.336	0.00
505	1	49	CYS	N	N	123.877	0.00
506	1	50	ASN	H	H	9.935	0.00
507	1	50	ASN	HA	H	4.716	0.00
508	1	50	ASN	HB2	H	2.495	0.00
509	1	50	ASN	HB3	H	2.826	0.00
510	1	50	ASN	HD21	H	6.973	0.00
511	1	50	ASN	HD22	H	6.718	0.00
512	1	50	ASN	CB	C	41.294	0.00
513	1	50	ASN	N	N	122.816	0.00
514	1	50	ASN	ND2	N	110.665	0.00
515	1	51	GLU	H	H	9.244	0.00
516	1	51	GLU	HA	H	4.044	0.00
517	1	51	GLU	HB2	H	1.796	0.00
518	1	51	GLU	HB3	H	1.888	0.00
519	1	51	GLU	HG3	H	2.461	0.00
520	1	51	GLU	CA	C	55.412	0.00
521	1	51	GLU	CB	C	26.754	0.00
522	1	51	GLU	CG	C	33.846	0.00
523	1	51	GLU	N	N	123.404	0.00
524	1	52	GLY	H	H	8.860	0.00
525	1	52	GLY	HA2	H	3.474	0.00
526	1	52	GLY	HA3	H	3.691	0.00
527	1	52	GLY	CA	C	44.965	0.00
528	1	52	GLY	N	N	102.496	0.00
529	1	53	LEU	H	H	7.419	0.00
530	1	53	LEU	HA	H	4.684	0.00
531	1	53	LEU	HB2	H	1.218	0.00
532	1	53	LEU	HB3	H	1.725	0.00
533	1	53	LEU	HG	H	1.589	0.00
534	1	53	LEU	HD11	H	1.009	0.00
535	1	53	LEU	HD12	H	1.009	0.00
536	1	53	LEU	HD13	H	1.009	0.00
537	1	53	LEU	HD21	H	0.950	0.00
538	1	53	LEU	HD22	H	0.950	0.00
539	1	53	LEU	HD23	H	0.950	0.00
540	1	53	LEU	CA	C	53.071	0.00
541	1	53	LEU	CB	C	45.634	0.00
542	1	53	LEU	CG	C	27.374	0.00
543	1	53	LEU	CD1	C	25.184	0.00
544	1	53	LEU	CD2	C	23.704	0.00
545	1	53	LEU	N	N	119.743	0.00
546	1	54	CYS	H	H	8.611	0.00
547	1	54	CYS	HA	H	4.833	0.00
548	1	54	CYS	HB2	H	2.989	0.00
549	1	54	CYS	HB3	H	3.106	0.00
550	1	54	CYS	CA	C	55.564	0.00
551	1	54	CYS	CB	C	40.793	0.00
552	1	54	CYS	N	N	121.449	0.00
553	1	55	TYR	H	H	8.729	0.00
554	1	55	TYR	HA	H	4.432	0.00
555	1	55	TYR	HB2	H	2.750	0.00
556	1	55	TYR	HB3	H	2.972	0.00
557	1	55	TYR	HD1	H	7.228	0.00
558	1	55	TYR	HD2	H	7.228	0.00
559	1	55	TYR	HE1	H	7.017	0.00
560	1	55	TYR	HE2	H	7.017	0.00
561	1	55	TYR	CA	C	57.013	0.00
562	1	55	TYR	CB	C	41.549	0.00
563	1	55	TYR	CD1	C	133.638	0.00
564	1	55	TYR	CD2	C	133.638	0.00
565	1	55	TYR	CE1	C	118.447	0.00
566	1	55	TYR	CE2	C	118.447	0.00
567	1	55	TYR	N	N	128.745	0.00
568	1	56	ALA	H	H	7.643	0.00
569	1	56	ALA	HA	H	3.612	0.00
570	1	56	ALA	HB1	H	1.035	0.00
571	1	56	ALA	HB2	H	1.035	0.00
572	1	56	ALA	HB3	H	1.035	0.00
573	1	56	ALA	CA	C	52.759	0.00
574	1	56	ALA	CB	C	18.810	0.00
575	1	56	ALA	N	N	121.801	0.01
576	1	57	SER	H	H	8.304	0.00
577	1	57	SER	HA	H	4.349	0.00
578	1	57	SER	HB2	H	3.844	0.00
579	1	57	SER	HB3	H	3.892	0.00
580	1	57	SER	CA	C	58.559	0.00
581	1	57	SER	CB	C	64.232	0.00
582	1	57	SER	N	N	114.698	0.00
583	1	58	GLY	H	H	8.480	0.00
584	1	58	GLY	HA2	H	2.747	0.00
585	1	58	GLY	HA3	H	2.990	0.00
586	1	58	GLY	N	N	110.823	0.00
587	1	59	ASP	H	H	8.169	0.00
588	1	59	ASP	HA	H	4.643	0.00
589	1	59	ASP	HB2	H	2.647	0.00
590	1	59	ASP	HB3	H	2.713	0.00
591	1	59	ASP	CA	C	54.419	0.00
592	1	59	ASP	CB	C	41.425	0.00
593	1	59	ASP	N	N	120.466	0.00
594	1	60	SER	H	H	8.291	0.00
595	1	60	SER	HA	H	4.385	0.00
596	1	60	SER	HB2	H	3.902	0.00
597	1	60	SER	HB3	H	3.902	0.00
598	1	60	SER	CA	C	58.946	0.00
599	1	60	SER	CB	C	63.750	0.00
600	1	60	SER	N	N	116.703	0.00
601	1	61	ALA	H	H	8.295	0.00
602	1	61	ALA	HA	H	4.297	0.00
603	1	61	ALA	HB1	H	1.374	0.00
604	1	61	ALA	HB2	H	1.374	0.00
605	1	61	ALA	HB3	H	1.374	0.00
606	1	61	ALA	CA	C	52.953	0.00
607	1	61	ALA	CB	C	19.059	0.00
608	1	61	ALA	N	N	125.434	0.00
609	1	62	SER	H	H	8.107	0.00
610	1	62	SER	HA	H	4.385	0.00
611	1	62	SER	HB2	H	3.861	0.00
612	1	62	SER	HB3	H	3.861	0.00
613	1	62	SER	CA	C	58.702	0.00
614	1	62	SER	CB	C	63.758	0.00
615	1	62	SER	N	N	113.956	0.00
616	1	63	ASN	H	H	8.291	0.00
617	1	63	ASN	HA	H	4.795	0.00
618	1	63	ASN	HB2	H	2.808	0.00
619	1	63	ASN	HB3	H	2.880	0.00
620	1	63	ASN	HD21	H	7.562	0.00
621	1	63	ASN	HD22	H	6.885	0.00
622	1	63	ASN	CA	C	53.486	0.00
623	1	63	ASN	CB	C	38.826	0.00
624	1	63	ASN	N	N	120.517	0.01
625	1	63	ASN	ND2	N	112.384	0.01
626	1	64	THR	H	H	8.081	0.00
627	1	64	THR	HA	H	4.303	0.00
628	1	64	THR	HB	H	4.268	0.00
629	1	64	THR	HG21	H	1.194	0.00
630	1	64	THR	HG22	H	1.194	0.00
631	1	64	THR	HG23	H	1.194	0.00
632	1	64	THR	CA	C	62.327	0.00
633	1	64	THR	CB	C	69.600	0.00
634	1	64	THR	CG2	C	21.668	0.00
635	1	64	THR	N	N	113.655	0.01
636	1	65	GLN	H	H	8.336	0.00
637	1	65	GLN	HA	H	4.328	0.00
638	1	65	GLN	HB2	H	2.002	0.00
639	1	65	GLN	HB3	H	2.112	0.00
640	1	65	GLN	HG2	H	2.358	0.00
641	1	65	GLN	HG3	H	2.358	0.00
642	1	65	GLN	HE21	H	7.463	0.00
643	1	65	GLN	HE22	H	6.825	0.00
644	1	65	GLN	CA	C	56.233	0.00
645	1	65	GLN	CB	C	29.246	0.00
646	1	65	GLN	N	N	121.847	0.00
647	1	65	GLN	NE2	N	112.103	0.01
648	1	66	ASN	H	H	8.389	0.00
649	1	66	ASN	HB2	H	2.763	0.00
650	1	66	ASN	HB3	H	2.839	0.00
651	1	66	ASN	HD21	H	7.579	0.00
652	1	66	ASN	HD22	H	6.906	0.00
653	1	66	ASN	CB	C	38.806	0.00
654	1	66	ASN	N	N	119.252	0.00
655	1	66	ASN	ND2	N	112.729	0.01
656	1	67	GLN	H	H	8.379	0.00
657	1	67	GLN	HA	H	4.346	0.00
658	1	67	GLN	HB2	H	1.983	0.00
659	1	67	GLN	HB3	H	2.163	0.00
660	1	67	GLN	HG2	H	2.366	0.00
661	1	67	GLN	HG3	H	2.366	0.00
662	1	67	GLN	HE21	H	7.463	0.00
663	1	67	GLN	HE22	H	6.825	0.00
664	1	67	GLN	CA	C	56.211	0.00
665	1	67	GLN	CB	C	29.273	0.00
666	1	67	GLN	CG	C	33.812	0.00
667	1	67	GLN	N	N	120.639	0.01
668	1	67	GLN	NE2	N	112.103	0.01
669	1	68	GLY	H	H	8.458	0.02
670	1	68	GLY	HA2	H	3.978	0.01
671	1	68	GLY	HA3	H	3.978	0.01
672	1	68	GLY	CA	C	45.523	0.00
673	1	68	GLY	N	N	109.665	0.00
674	1	69	GLY	H	H	8.242	0.00
675	1	69	GLY	HA2	H	3.992	0.00
676	1	69	GLY	HA3	H	3.992	0.00
677	1	69	GLY	CA	C	45.304	0.00
678	1	69	GLY	N	N	108.731	0.00
679	1	70	SER	H	H	8.229	0.00
680	1	70	SER	HA	H	4.453	0.00
681	1	70	SER	HB2	H	3.865	0.01
682	1	70	SER	HB3	H	3.865	0.01
683	1	70	SER	CA	C	58.394	0.00
684	1	70	SER	CB	C	63.960	0.00
685	1	70	SER	N	N	115.618	0.00
686	1	71	ARG	H	H	8.360	0.00
687	1	71	ARG	HA	H	4.359	0.00
688	1	71	ARG	HB2	H	1.744	0.00
689	1	71	ARG	HB3	H	1.840	0.00
690	1	71	ARG	HG2	H	1.609	0.00
691	1	71	ARG	HG3	H	1.609	0.00
692	1	71	ARG	HD2	H	3.178	0.00
693	1	71	ARG	HD3	H	3.178	0.00
694	1	71	ARG	CA	C	56.063	0.00
695	1	71	ARG	CB	C	30.845	0.00
696	1	71	ARG	CG	C	27.082	0.00
697	1	71	ARG	CD	C	43.362	0.00
698	1	71	ARG	N	N	122.883	0.01
699	1	72	ARG	H	H	8.386	0.00
700	1	72	ARG	HA	H	4.317	0.00
701	1	72	ARG	HB2	H	1.742	0.00
702	1	72	ARG	HB3	H	1.841	0.00
703	1	72	ARG	HG2	H	1.602	0.00
704	1	72	ARG	HG3	H	1.602	0.00
705	1	72	ARG	HD2	H	3.167	0.00
706	1	72	ARG	HD3	H	3.167	0.00
707	1	72	ARG	CA	C	56.258	0.00
708	1	72	ARG	CB	C	30.848	0.00
709	1	72	ARG	CG	C	27.090	0.00
710	1	72	ARG	CD	C	43.354	0.00
711	1	72	ARG	N	N	122.922	0.00
712	1	73	GLN	H	H	8.541	0.00
713	1	73	GLN	HA	H	4.312	0.00
714	1	73	GLN	HB2	H	1.984	0.00
715	1	73	GLN	HB3	H	2.114	0.00
716	1	73	GLN	HG2	H	2.359	0.00
717	1	73	GLN	HG3	H	2.359	0.00
718	1	73	GLN	HE21	H	7.549	0.00
719	1	73	GLN	HE22	H	6.834	0.00
720	1	73	GLN	CA	C	55.993	0.00
721	1	73	GLN	CB	C	29.511	0.01
722	1	73	GLN	CG	C	33.890	0.00
723	1	73	GLN	N	N	122.167	0.00
724	1	73	GLN	NE2	N	112.298	0.00
725	1	74	GLU	H	H	8.566	0.00
726	1	74	GLU	HA	H	4.250	0.00
727	1	74	GLU	HB2	H	1.931	0.00
728	1	74	GLU	HB3	H	2.050	0.00
729	1	74	GLU	HG2	H	2.262	0.00
730	1	74	GLU	HG3	H	2.262	0.00
731	1	74	GLU	CA	C	57.098	0.00
732	1	74	GLU	CB	C	30.130	0.00
733	1	74	GLU	CG	C	36.212	0.00
734	1	74	GLU	N	N	121.773	0.00
735	1	75	ASN	H	H	8.399	0.00
736	1	75	ASN	HA	H	4.690	0.01
737	1	75	ASN	HB2	H	2.771	0.00
738	1	75	ASN	HB3	H	2.840	0.00
739	1	75	ASN	HD21	H	7.593	0.00
740	1	75	ASN	HD22	H	6.900	0.00
741	1	75	ASN	CA	C	53.436	0.00
742	1	75	ASN	CB	C	38.987	0.00
743	1	75	ASN	N	N	118.171	0.01
744	1	75	ASN	ND2	N	112.845	0.00
745	1	76	GLU	H	H	8.332	0.00
746	1	76	GLU	HA	H	4.269	0.00
747	1	76	GLU	HB2	H	1.934	0.00
748	1	76	GLU	HB3	H	2.067	0.00
749	1	76	GLU	HG2	H	2.245	0.00
750	1	76	GLU	HG3	H	2.245	0.00
751	1	76	GLU	CA	C	56.884	0.00
752	1	76	GLU	CB	C	30.329	0.01
753	1	76	GLU	CG	C	36.285	0.00
754	1	76	GLU	N	N	120.831	0.00
755	1	77	ASP	H	H	8.348	0.00
756	1	77	ASP	HA	H	4.591	0.00
757	1	77	ASP	HB2	H	2.634	0.00
758	1	77	ASP	HB3	H	2.717	0.00
759	1	77	ASP	CA	C	54.499	0.00
760	1	77	ASP	CB	C	41.202	0.01
761	1	77	ASP	N	N	120.919	0.00
762	1	78	GLN	H	H	8.304	0.00
763	1	78	GLN	HA	H	4.325	0.00
764	1	78	GLN	HB2	H	1.972	0.00
765	1	78	GLN	HB3	H	2.159	0.00
766	1	78	GLN	HG2	H	2.349	0.00
767	1	78	GLN	HG3	H	2.349	0.00
768	1	78	GLN	HE21	H	7.507	0.00
769	1	78	GLN	HE22	H	6.784	0.00
770	1	78	GLN	CA	C	55.954	0.00
771	1	78	GLN	CB	C	29.565	0.00
772	1	78	GLN	CG	C	33.854	0.00
773	1	78	GLN	N	N	120.577	0.00
774	1	78	GLN	NE2	N	112.435	0.00
775	1	79	GLY	H	H	8.425	0.00
776	1	79	GLY	HA2	H	3.939	0.00
777	1	79	GLY	HA3	H	3.982	0.00
778	1	79	GLY	CA	C	45.436	0.07
779	1	79	GLY	N	N	109.823	0.00
780	1	80	ASP	H	H	8.254	0.00
781	1	80	ASP	HA	H	4.619	0.00
782	1	80	ASP	HB2	H	2.603	0.00
783	1	80	ASP	HB3	H	2.684	0.00
784	1	80	ASP	CA	C	54.376	0.00
785	1	80	ASP	CB	C	41.454	0.01
786	1	80	ASP	N	N	120.413	0.00
787	1	81	ASP	H	H	8.363	0.00
788	1	81	ASP	HA	H	4.540	0.00
789	1	81	ASP	HB2	H	2.557	0.00
790	1	81	ASP	HB3	H	2.557	0.00
791	1	81	ASP	CA	C	54.560	0.00
792	1	81	ASP	CB	C	41.244	0.00
793	1	81	ASP	N	N	120.532	0.01
794	1	82	GLU	H	H	8.311	0.00
795	1	82	GLU	HA	H	4.152	0.00
796	1	82	GLU	HB2	H	1.849	0.00
797	1	82	GLU	HB3	H	1.921	0.00
798	1	82	GLU	HG2	H	2.045	0.00
799	1	82	GLU	HG3	H	2.111	0.00
800	1	82	GLU	CA	C	57.072	0.00
801	1	82	GLU	CB	C	29.879	0.00
802	1	82	GLU	CG	C	36.049	0.01
803	1	82	GLU	N	N	120.518	0.00
804	1	83	TRP	H	H	7.917	0.00
805	1	83	TRP	HA	H	4.588	0.01
806	1	83	TRP	HB2	H	3.272	0.00
807	1	83	TRP	HB3	H	3.334	0.00
808	1	83	TRP	HD1	H	7.299	0.00
809	1	83	TRP	HE1	H	10.113	0.00
810	1	83	TRP	HE3	H	7.625	0.00
811	1	83	TRP	HZ2	H	7.479	0.00
812	1	83	TRP	HZ3	H	7.147	0.00
813	1	83	TRP	HH2	H	7.211	0.00
814	1	83	TRP	CA	C	57.574	0.00
815	1	83	TRP	CB	C	29.296	0.00
816	1	83	TRP	CD1	C	127.396	0.00
817	1	83	TRP	CE3	C	120.917	0.00
818	1	83	TRP	CZ2	C	114.741	0.00
819	1	83	TRP	CZ3	C	122.095	0.00
820	1	83	TRP	CH2	C	124.712	0.00
821	1	83	TRP	N	N	120.443	0.00
822	1	83	TRP	NE1	N	129.466	0.00
823	1	84	ASP	H	H	8.054	0.00
824	1	84	ASP	HA	H	4.505	0.01
825	1	84	ASP	HB2	H	2.349	0.00
826	1	84	ASP	HB3	H	2.425	0.01
827	1	84	ASP	CA	C	54.182	0.00
828	1	84	ASP	CB	C	40.600	0.00
829	1	84	ASP	N	N	120.862	0.00
830	1	85	ARG	H	H	7.766	0.01
831	1	85	ARG	HA	H	4.225	0.01
832	1	85	ARG	HB2	H	1.700	0.00
833	1	85	ARG	HB3	H	1.843	0.00
834	1	85	ARG	HG2	H	1.540	0.00
835	1	85	ARG	HG3	H	1.540	0.00
836	1	85	ARG	HD2	H	3.096	0.00
837	1	85	ARG	HD3	H	3.131	0.01
838	1	85	ARG	HE	H	7.178	0.00
839	1	85	ARG	CA	C	56.100	0.00
840	1	85	ARG	CB	C	30.535	0.00
841	1	85	ARG	CG	C	27.044	0.00
842	1	85	ARG	CD	C	43.417	0.00
843	1	85	ARG	N	N	120.928	0.00
844	1	85	ARG	NE	N	85.109	0.01
845	1	86	LYS	H	H	7.856	0.00
846	1	86	LYS	HA	H	4.148	0.01
847	1	86	LYS	HB2	H	1.703	0.00
848	1	86	LYS	HB3	H	1.820	0.00
849	1	86	LYS	HG2	H	1.367	0.00
850	1	86	LYS	HG3	H	1.367	0.00
851	1	86	LYS	HD2	H	1.624	0.00
852	1	86	LYS	HD3	H	1.624	0.00
853	1	86	LYS	HE2	H	2.943	0.00
854	1	86	LYS	HE3	H	2.943	0.00
855	1	86	LYS	CA	C	57.631	0.00
856	1	86	LYS	CB	C	33.645	0.01
857	1	86	LYS	CG	C	24.770	0.00
858	1	86	LYS	CD	C	29.045	0.00
859	1	86	LYS	CE	C	42.299	0.00
860	1	86	LYS	N	N	127.841	0.00

Release date

2021-03-18

Citation

Molecular basis of anticoagulant and anticomplement activity of the tick salivary protein Salp14 and its homologs
Denisov, S.S., Ippel, J.H., Castoldi, E., Mans, B.J., Hackeng, T.M., Dijkgraaf, I.
J. Biol. Chem. (2021), 297, 100865-100865, PubMed 34118237 , DOI 10.1016/j.jbc.2021.100865 , Abstract

Related entities 1. tick salivary protein BSAP1, : 1 entities Detail

Experiments performed 1 experiments Detail

#	Name	Isotope labeling	Type	Concentration
1	tick salivary protein BSAP1	[U-13C; U-15N]		350 uM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34598_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	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:6:CYS:SG	1:22:CYS:SG	oxidized, CA 56.359, CB 40.824 ppm	oxidized, CA 55.528, CB 43.859 ppm	n/a
1:18:CYS:SG	1:49:CYS:SG	oxidized, CA 54.104, CB 38.581 ppm	oxidized, CA 53.78, CB 37.336 ppm	n/a
1:39:CYS:SG	1:54:CYS:SG	oxidized, CA 53.483, CB 49.623 ppm	oxidized, CA 55.564, CB 40.793 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr34598_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	860		100.0 (chain: 1, length: 86)
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: 86, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 521
  - ¹³C chemical shifts: 241
  - 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	504	491	97.4
¹³C chemical shifts	343	241	70.3
¹⁵N chemical shifts	106	98	92.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	179	175	97.8
¹³C chemical shifts	172	81	47.1
¹⁵N chemical shifts	83	79	95.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	325	316	97.2
¹³C chemical shifts	171	160	93.6
¹⁵N chemical shifts	23	19	82.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	15	15	100.0
¹³C chemical shifts	15	15	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	38	36	94.7
¹³C chemical shifts	36	27	75.0
¹⁵N chemical shifts	2	2	100.0

Keywords IMMUNOSUPPRESSANT, complement, lectin pathway, tick salivary protein

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BMRB: 34598

Related entities 1. tick salivary protein BSAP1, : 1 entities Detail

Experiments performed 1 experiments Detail

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Sample

Chemical shift validation 3 contents Detail