BMRB: 27433

Double knot toxin (DkTx)

Authors

Ramanujam, V., Mobli, M.

Assembly

Double knot toxin

Entity

1. Double knot toxin (polymer, Thiol state: all disulfide bound), 78 monomers, 8832.190 Da Detail

GDCAKEGEVC SWGKKCCDLD NFYCPMEFIP HCKKYKPYVP VTTSFNCAKE GEVCGWGSKC CHGLDCPLAF IPYCEKYR

Formula weight

8832.19 Da

Source organism

Cyriopagopus schmidti

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 519, ¹³C: 347, ¹⁵N: 75 assignments Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	GLY	HA2	H	3.891	0.000
2	1	1	GLY	HA3	H	3.891	0.000
3	1	1	GLY	CA	C	43.274	0.000
4	1	2	ASP	HA	H	4.661	0.000
5	1	2	ASP	HB2	H	2.688	0.000
6	1	2	ASP	HB3	H	2.589	0.000
7	1	2	ASP	C	C	175.118	0.000
8	1	2	ASP	CA	C	54.730	0.000
9	1	2	ASP	CB	C	41.263	0.000
10	1	3	CYS	H	H	8.005	0.000
11	1	3	CYS	HA	H	4.971	0.000
12	1	3	CYS	HB2	H	3.171	0.000
13	1	3	CYS	HB3	H	2.968	0.000
14	1	3	CYS	C	C	172.720	0.000
15	1	3	CYS	CA	C	53.529	0.000
16	1	3	CYS	CB	C	43.215	0.000
17	1	3	CYS	N	N	114.923	0.001
18	1	4	ALA	H	H	9.233	0.000
19	1	4	ALA	HA	H	4.472	0.000
20	1	4	ALA	HB1	H	1.168	0.000
21	1	4	ALA	HB2	H	1.168	0.000
22	1	4	ALA	HB3	H	1.168	0.000
23	1	4	ALA	C	C	175.306	0.000
24	1	4	ALA	CA	C	51.140	0.000
25	1	4	ALA	CB	C	20.804	0.000
26	1	4	ALA	N	N	125.263	0.004
27	1	5	LYS	H	H	8.992	0.000
28	1	5	LYS	HA	H	3.867	0.000
29	1	5	LYS	HB2	H	1.825	0.000
30	1	5	LYS	HB3	H	1.383	0.000
31	1	5	LYS	HG2	H	1.264	0.000
32	1	5	LYS	HG3	H	1.474	0.000
33	1	5	LYS	HD2	H	1.629	0.000
34	1	5	LYS	HD3	H	1.629	0.000
35	1	5	LYS	HE2	H	2.968	0.000
36	1	5	LYS	HE3	H	2.968	0.000
37	1	5	LYS	C	C	175.028	0.000
38	1	5	LYS	CA	C	55.115	0.000
39	1	5	LYS	CB	C	33.240	0.000
40	1	5	LYS	CG	C	25.532	0.000
41	1	5	LYS	CD	C	29.336	0.000
42	1	5	LYS	CE	C	41.677	0.000
43	1	5	LYS	N	N	126.184	0.000
44	1	6	GLU	H	H	7.678	0.000
45	1	6	GLU	HA	H	3.219	0.000
46	1	6	GLU	HB2	H	1.731	0.000
47	1	6	GLU	HB3	H	1.587	0.000
48	1	6	GLU	HG2	H	2.231	0.000
49	1	6	GLU	HG3	H	2.157	0.000
50	1	6	GLU	C	C	177.233	0.000
51	1	6	GLU	CA	C	58.389	0.000
52	1	6	GLU	CB	C	29.247	0.000
53	1	6	GLU	CG	C	35.820	0.000
54	1	6	GLU	N	N	120.324	0.002
55	1	7	GLY	H	H	8.850	0.000
56	1	7	GLY	HA2	H	4.276	0.000
57	1	7	GLY	HA3	H	3.590	0.000
58	1	7	GLY	C	C	173.820	0.000
59	1	7	GLY	CA	C	45.660	0.000
60	1	7	GLY	N	N	113.486	0.007
61	1	8	GLU	H	H	8.238	0.000
62	1	8	GLU	HA	H	4.529	0.000
63	1	8	GLU	HB2	H	2.205	0.000
64	1	8	GLU	HB3	H	1.958	0.000
65	1	8	GLU	HG2	H	2.151	0.000
66	1	8	GLU	HG3	H	2.071	0.000
67	1	8	GLU	C	C	175.937	0.000
68	1	8	GLU	CA	C	55.455	0.000
69	1	8	GLU	CB	C	30.740	0.000
70	1	8	GLU	CG	C	37.440	0.000
71	1	8	GLU	N	N	121.342	0.003
72	1	9	VAL	H	H	8.222	0.000
73	1	9	VAL	HA	H	4.250	0.000
74	1	9	VAL	HB	H	1.751	0.000
75	1	9	VAL	HG11	H	0.783	0.000
76	1	9	VAL	HG12	H	0.783	0.000
77	1	9	VAL	HG13	H	0.783	0.000
78	1	9	VAL	HG21	H	0.729	0.000
79	1	9	VAL	HG22	H	0.729	0.000
80	1	9	VAL	HG23	H	0.729	0.000
81	1	9	VAL	C	C	175.318	0.000
82	1	9	VAL	CA	C	63.039	0.000
83	1	9	VAL	CB	C	31.778	0.000
84	1	9	VAL	CG1	C	21.094	0.000
85	1	9	VAL	CG2	C	22.200	0.000
86	1	9	VAL	N	N	120.799	0.004
87	1	10	CYS	H	H	7.771	0.000
88	1	10	CYS	HA	H	5.076	0.000
89	1	10	CYS	HB2	H	3.391	0.000
90	1	10	CYS	HB3	H	3.165	0.000
91	1	10	CYS	C	C	172.271	0.000
92	1	10	CYS	CA	C	52.401	0.000
93	1	10	CYS	CB	C	47.982	0.000
94	1	10	CYS	N	N	121.893	0.002
95	1	11	SER	H	H	8.348	0.000
96	1	11	SER	HA	H	4.525	0.000
97	1	11	SER	HB2	H	3.941	0.000
98	1	11	SER	HB3	H	3.793	0.000
99	1	11	SER	C	C	175.248	0.000
100	1	11	SER	CA	C	57.656	0.000
101	1	11	SER	CB	C	65.493	0.000
102	1	11	SER	N	N	112.634	0.000
103	1	12	TRP	H	H	8.620	0.000
104	1	12	TRP	HA	H	4.364	0.000
105	1	12	TRP	HB2	H	3.289	0.000
106	1	12	TRP	HB3	H	3.289	0.000
107	1	12	TRP	HD1	H	7.269	0.001
108	1	12	TRP	HE1	H	10.123	0.000
109	1	12	TRP	HE3	H	7.509	0.000
110	1	12	TRP	HZ2	H	7.442	0.001
111	1	12	TRP	HZ3	H	7.102	0.000
112	1	12	TRP	HH2	H	7.221	0.000
113	1	12	TRP	C	C	177.340	0.000
114	1	12	TRP	CA	C	59.665	0.000
115	1	12	TRP	CB	C	28.234	0.000
116	1	12	TRP	CD1	C	128.224	0.000
117	1	12	TRP	CE3	C	121.766	0.000
118	1	12	TRP	CZ2	C	115.747	0.000
119	1	12	TRP	CZ3	C	122.953	0.000
120	1	12	TRP	CH2	C	125.684	0.000
121	1	12	TRP	N	N	120.612	0.001
122	1	12	TRP	NE1	N	129.112	0.000
123	1	13	GLY	H	H	8.040	0.000
124	1	13	GLY	HA2	H	3.861	0.000
125	1	13	GLY	HA3	H	3.623	0.000
126	1	13	GLY	C	C	173.345	0.000
127	1	13	GLY	CA	C	44.865	0.000
128	1	13	GLY	N	N	104.849	0.001
129	1	14	LYS	H	H	7.465	0.000
130	1	14	LYS	HA	H	4.371	0.000
131	1	14	LYS	HB2	H	1.787	0.000
132	1	14	LYS	HB3	H	1.400	0.000
133	1	14	LYS	HG2	H	1.458	0.000
134	1	14	LYS	HG3	H	1.458	0.000
135	1	14	LYS	HD2	H	1.638	0.000
136	1	14	LYS	HD3	H	1.558	0.000
137	1	14	LYS	HE2	H	2.942	0.000
138	1	14	LYS	HE3	H	2.942	0.000
139	1	14	LYS	C	C	173.699	0.000
140	1	14	LYS	CA	C	55.535	0.000
141	1	14	LYS	CB	C	32.667	0.000
142	1	14	LYS	CG	C	25.186	0.000
143	1	14	LYS	CD	C	29.153	0.000
144	1	14	LYS	CE	C	42.302	0.000
145	1	14	LYS	N	N	125.302	0.002
146	1	15	LYS	H	H	8.261	0.000
147	1	15	LYS	HA	H	4.354	0.000
148	1	15	LYS	HB2	H	1.922	0.000
149	1	15	LYS	HB3	H	1.639	0.000
150	1	15	LYS	HG2	H	1.459	0.000
151	1	15	LYS	HG3	H	1.459	0.000
152	1	15	LYS	HD2	H	1.648	0.000
153	1	15	LYS	HD3	H	1.648	0.000
154	1	15	LYS	HE2	H	2.965	0.000
155	1	15	LYS	HE3	H	2.965	0.000
156	1	15	LYS	C	C	177.451	0.000
157	1	15	LYS	CA	C	55.230	0.000
158	1	15	LYS	CB	C	33.631	0.000
159	1	15	LYS	CG	C	24.890	0.000
160	1	15	LYS	CD	C	29.356	0.000
161	1	15	LYS	CE	C	42.000	0.000
162	1	15	LYS	N	N	123.572	0.001
163	1	16	CYS	H	H	8.835	0.000
164	1	16	CYS	HA	H	4.869	0.000
165	1	16	CYS	HB2	H	3.102	0.000
166	1	16	CYS	HB3	H	2.413	0.000
167	1	16	CYS	C	C	175.121	0.000
168	1	16	CYS	CA	C	56.857	0.000
169	1	16	CYS	CB	C	38.879	0.000
170	1	16	CYS	N	N	118.802	0.004
171	1	17	CYS	H	H	9.339	0.000
172	1	17	CYS	HA	H	4.352	0.000
173	1	17	CYS	HB2	H	3.166	0.000
174	1	17	CYS	HB3	H	2.384	0.000
175	1	17	CYS	C	C	174.498	0.000
176	1	17	CYS	CA	C	54.468	0.000
177	1	17	CYS	CB	C	40.156	0.000
178	1	17	CYS	N	N	121.343	0.006
179	1	18	ASP	H	H	8.493	0.000
180	1	18	ASP	HA	H	4.506	0.000
181	1	18	ASP	HB2	H	3.421	0.000
182	1	18	ASP	HB3	H	2.513	0.000
183	1	18	ASP	C	C	176.048	0.000
184	1	18	ASP	CA	C	53.943	0.000
185	1	18	ASP	CB	C	39.353	0.000
186	1	18	ASP	N	N	118.146	0.000
187	1	19	LEU	H	H	8.565	0.000
188	1	19	LEU	HA	H	4.863	0.000
189	1	19	LEU	HB2	H	1.821	0.000
190	1	19	LEU	HB3	H	1.757	0.000
191	1	19	LEU	HG	H	1.899	0.000
192	1	19	LEU	HD11	H	1.011	0.000
193	1	19	LEU	HD12	H	1.011	0.000
194	1	19	LEU	HD13	H	1.011	0.000
195	1	19	LEU	HD21	H	1.003	0.000
196	1	19	LEU	HD22	H	1.003	0.000
197	1	19	LEU	HD23	H	1.003	0.000
198	1	19	LEU	C	C	178.436	0.000
199	1	19	LEU	CA	C	56.430	0.000
200	1	19	LEU	CB	C	41.676	0.000
201	1	19	LEU	CG	C	26.770	0.000
202	1	19	LEU	CD1	C	24.200	0.000
203	1	19	LEU	CD2	C	26.060	0.000
204	1	19	LEU	N	N	122.554	0.003
205	1	20	ASP	H	H	8.266	0.000
206	1	20	ASP	HA	H	4.588	0.000
207	1	20	ASP	HB2	H	2.660	0.000
208	1	20	ASP	HB3	H	2.691	0.000
209	1	20	ASP	C	C	176.673	0.000
210	1	20	ASP	CA	C	56.714	0.000
211	1	20	ASP	CB	C	40.938	0.000
212	1	20	ASP	N	N	117.484	0.001
213	1	21	ASN	H	H	8.023	0.000
214	1	21	ASN	HA	H	4.871	0.000
215	1	21	ASN	HB2	H	2.557	0.000
216	1	21	ASN	HB3	H	2.163	0.000
217	1	21	ASN	HD21	H	6.992	0.000
218	1	21	ASN	HD22	H	8.834	0.002
219	1	21	ASN	C	C	173.481	0.000
220	1	21	ASN	CA	C	54.310	0.000
221	1	21	ASN	CB	C	43.141	0.000
222	1	21	ASN	N	N	114.460	0.000
223	1	21	ASN	ND2	N	118.863	0.000
224	1	22	PHE	H	H	8.468	0.000
225	1	22	PHE	HA	H	5.356	0.000
226	1	22	PHE	HB2	H	3.090	0.000
227	1	22	PHE	HB3	H	2.663	0.000
228	1	22	PHE	HD1	H	7.253	0.000
229	1	22	PHE	HD2	H	7.253	0.000
230	1	22	PHE	HE1	H	7.321	0.000
231	1	22	PHE	HE2	H	7.321	0.000
232	1	22	PHE	HZ	H	7.253	0.000
233	1	22	PHE	C	C	173.465	0.000
234	1	22	PHE	CA	C	56.914	0.000
235	1	22	PHE	CB	C	43.024	0.000
236	1	22	PHE	CD1	C	130.207	0.000
237	1	22	PHE	CD2	C	130.207	0.000
238	1	22	PHE	CE1	C	131.099	0.000
239	1	22	PHE	CE2	C	131.099	0.000
240	1	22	PHE	CZ	C	130.207	0.000
241	1	22	PHE	N	N	120.747	0.002
242	1	23	TYR	H	H	9.218	0.000
243	1	23	TYR	HA	H	4.806	0.000
244	1	23	TYR	HB2	H	2.650	0.000
245	1	23	TYR	HB3	H	2.776	0.000
246	1	23	TYR	HD1	H	6.413	0.000
247	1	23	TYR	HD2	H	6.413	0.000
248	1	23	TYR	HE1	H	6.486	0.000
249	1	23	TYR	HE2	H	6.486	0.000
250	1	23	TYR	C	C	171.608	0.000
251	1	23	TYR	CA	C	54.716	0.000
252	1	23	TYR	CB	C	41.767	0.000
253	1	23	TYR	CD1	C	134.709	0.000
254	1	23	TYR	CD2	C	134.709	0.002
255	1	23	TYR	CE1	C	117.962	0.000
256	1	23	TYR	CE2	C	117.962	0.000
257	1	23	TYR	N	N	115.608	0.004
258	1	24	CYS	H	H	8.759	0.000
259	1	24	CYS	HA	H	5.052	0.000
260	1	24	CYS	HB2	H	3.157	0.000
261	1	24	CYS	HB3	H	3.065	0.000
262	1	24	CYS	CA	C	51.670	0.000
263	1	24	CYS	CB	C	41.125	0.000
264	1	24	CYS	N	N	122.481	0.000
265	1	25	PRO	HA	H	4.515	0.000
266	1	25	PRO	HB2	H	2.169	0.000
267	1	25	PRO	HB3	H	1.937	0.000
268	1	25	PRO	HG2	H	1.900	0.000
269	1	25	PRO	HG3	H	1.900	0.000
270	1	25	PRO	HD2	H	3.756	0.000
271	1	25	PRO	HD3	H	3.394	0.000
272	1	25	PRO	C	C	175.167	0.000
273	1	25	PRO	CA	C	62.641	0.000
274	1	25	PRO	CB	C	33.450	0.000
275	1	25	PRO	CG	C	27.174	0.000
276	1	25	PRO	CD	C	52.350	0.000
277	1	26	MET	H	H	8.553	0.000
278	1	26	MET	HA	H	4.523	0.000
279	1	26	MET	HB2	H	2.104	0.000
280	1	26	MET	HB3	H	1.946	0.000
281	1	26	MET	HG2	H	2.505	0.000
282	1	26	MET	HG3	H	2.573	0.000
283	1	26	MET	HE1	H	2.057	0.000
284	1	26	MET	HE2	H	2.057	0.000
285	1	26	MET	HE3	H	2.057	0.000
286	1	26	MET	C	C	174.933	0.000
287	1	26	MET	CA	C	54.573	0.000
288	1	26	MET	CB	C	30.471	0.000
289	1	26	MET	CG	C	32.020	0.000
290	1	26	MET	CE	C	16.991	0.000
291	1	26	MET	N	N	120.078	0.003
292	1	27	GLU	H	H	7.240	0.000
293	1	27	GLU	HA	H	4.519	0.000
294	1	27	GLU	HB2	H	2.135	0.000
295	1	27	GLU	HB3	H	1.502	0.000
296	1	27	GLU	HG2	H	2.205	0.000
297	1	27	GLU	HG3	H	1.955	0.000
298	1	27	GLU	C	C	175.157	0.000
299	1	27	GLU	CA	C	54.134	0.000
300	1	27	GLU	CB	C	33.780	0.000
301	1	27	GLU	CG	C	36.090	0.000
302	1	27	GLU	N	N	121.730	0.004
303	1	28	PHE	H	H	8.473	0.000
304	1	28	PHE	HA	H	4.340	0.000
305	1	28	PHE	HB2	H	3.188	0.000
306	1	28	PHE	HB3	H	3.040	0.000
307	1	28	PHE	HD1	H	7.288	0.000
308	1	28	PHE	HD2	H	7.288	0.000
309	1	28	PHE	HE1	H	7.322	0.000
310	1	28	PHE	HE2	H	7.322	0.000
311	1	28	PHE	HZ	H	7.288	0.000
312	1	28	PHE	C	C	176.653	0.000
313	1	28	PHE	CA	C	61.081	0.000
314	1	28	PHE	CB	C	38.906	0.000
315	1	28	PHE	CD1	C	130.895	0.000
316	1	28	PHE	CD2	C	130.895	0.000
317	1	28	PHE	CE1	C	130.895	0.000
318	1	28	PHE	CE2	C	130.895	0.000
319	1	28	PHE	CZ	C	130.895	0.000
320	1	28	PHE	N	N	121.477	0.008
321	1	29	ILE	H	H	8.165	0.000
322	1	29	ILE	HA	H	4.193	0.000
323	1	29	ILE	HB	H	1.861	0.000
324	1	29	ILE	HG12	H	1.233	0.000
325	1	29	ILE	HG13	H	1.233	0.000
326	1	29	ILE	HG21	H	0.641	0.000
327	1	29	ILE	HG22	H	0.641	0.000
328	1	29	ILE	HG23	H	0.641	0.000
329	1	29	ILE	HD11	H	0.795	0.000
330	1	29	ILE	HD12	H	0.795	0.000
331	1	29	ILE	HD13	H	0.795	0.000
332	1	29	ILE	CA	C	58.880	0.000
333	1	29	ILE	CB	C	37.380	0.000
334	1	29	ILE	CG1	C	26.700	0.000
335	1	29	ILE	CG2	C	18.230	0.000
336	1	29	ILE	CD1	C	13.000	0.000
337	1	29	ILE	N	N	118.309	0.000
338	1	30	PRO	HA	H	4.451	0.000
339	1	30	PRO	HB2	H	2.181	0.000
340	1	30	PRO	HB3	H	1.968	0.000
341	1	30	PRO	HG2	H	1.875	0.000
342	1	30	PRO	HG3	H	1.875	0.000
343	1	30	PRO	HD2	H	3.615	0.000
344	1	30	PRO	HD3	H	3.615	0.000
345	1	30	PRO	C	C	175.434	0.000
346	1	30	PRO	CA	C	62.680	0.000
347	1	30	PRO	CB	C	33.640	0.000
348	1	30	PRO	CG	C	27.150	0.000
349	1	30	PRO	CD	C	50.227	0.000
350	1	31	HIS	H	H	7.331	0.000
351	1	31	HIS	HA	H	5.124	0.000
352	1	31	HIS	HB2	H	2.807	0.000
353	1	31	HIS	HB3	H	2.469	0.000
354	1	31	HIS	HD2	H	7.109	0.000
355	1	31	HIS	HE1	H	8.444	0.000
356	1	31	HIS	C	C	174.348	0.000
357	1	31	HIS	CA	C	53.300	0.000
358	1	31	HIS	CB	C	31.004	0.000
359	1	31	HIS	CD2	C	120.354	0.000
360	1	31	HIS	CE1	C	137.366	0.000
361	1	31	HIS	N	N	114.334	0.001
362	1	32	CYS	H	H	8.141	0.000
363	1	32	CYS	HA	H	4.474	0.000
364	1	32	CYS	HB2	H	2.650	0.000
365	1	32	CYS	HB3	H	3.074	0.000
366	1	32	CYS	C	C	175.858	0.000
367	1	32	CYS	CA	C	58.950	0.000
368	1	32	CYS	CB	C	41.913	0.000
369	1	32	CYS	N	N	117.757	0.007
370	1	33	LYS	H	H	8.996	0.001
371	1	33	LYS	HA	H	4.872	0.000
372	1	33	LYS	HB2	H	1.560	0.000
373	1	33	LYS	HB3	H	1.343	0.000
374	1	33	LYS	HG2	H	1.373	0.000
375	1	33	LYS	HG3	H	1.373	0.000
376	1	33	LYS	HD2	H	1.644	0.000
377	1	33	LYS	HD3	H	1.644	0.000
378	1	33	LYS	HE2	H	3.041	0.000
379	1	33	LYS	HE3	H	3.041	0.000
380	1	33	LYS	C	C	174.055	0.000
381	1	33	LYS	CA	C	54.594	0.000
382	1	33	LYS	CB	C	36.687	0.000
383	1	33	LYS	CG	C	24.687	0.000
384	1	33	LYS	CD	C	29.356	0.000
385	1	33	LYS	CE	C	42.083	0.000
386	1	33	LYS	N	N	125.626	0.008
387	1	34	LYS	H	H	8.778	0.000
388	1	34	LYS	HA	H	4.249	0.000
389	1	34	LYS	HB2	H	1.565	0.000
390	1	34	LYS	HB3	H	1.674	0.000
391	1	34	LYS	HG2	H	1.247	0.000
392	1	34	LYS	HG3	H	1.247	0.000
393	1	34	LYS	HD2	H	1.559	0.000
394	1	34	LYS	HD3	H	1.559	0.000
395	1	34	LYS	HE2	H	2.942	0.000
396	1	34	LYS	HE3	H	2.883	0.000
397	1	34	LYS	C	C	177.776	0.000
398	1	34	LYS	CA	C	56.290	0.000
399	1	34	LYS	CB	C	33.840	0.000
400	1	34	LYS	CG	C	25.660	0.000
401	1	34	LYS	CD	C	29.356	0.000
402	1	34	LYS	CE	C	41.973	0.000
403	1	34	LYS	N	N	123.578	0.000
404	1	35	TYR	H	H	7.985	0.000
405	1	35	TYR	HA	H	4.470	0.000
406	1	35	TYR	HB2	H	2.870	0.000
407	1	35	TYR	HB3	H	2.674	0.000
408	1	35	TYR	HD1	H	6.766	0.000
409	1	35	TYR	HD2	H	6.766	0.000
410	1	35	TYR	HE1	H	6.516	0.000
411	1	35	TYR	HE2	H	6.516	0.000
412	1	35	TYR	C	C	175.526	0.000
413	1	35	TYR	CA	C	59.559	0.000
414	1	35	TYR	CB	C	39.460	0.000
415	1	35	TYR	CD1	C	133.949	0.000
416	1	35	TYR	CD2	C	133.949	0.000
417	1	35	TYR	CE1	C	119.271	0.000
418	1	35	TYR	CE2	C	119.271	0.000
419	1	35	TYR	N	N	123.132	0.007
420	1	36	LYS	H	H	8.156	0.000
421	1	36	LYS	HA	H	4.560	0.000
422	1	36	LYS	HB2	H	1.703	0.000
423	1	36	LYS	HB3	H	1.585	0.000
424	1	36	LYS	HG2	H	1.380	0.000
425	1	36	LYS	HG3	H	1.380	0.000
426	1	36	LYS	HD2	H	1.647	0.000
427	1	36	LYS	HD3	H	1.647	0.000
428	1	36	LYS	HE2	H	2.990	0.000
429	1	36	LYS	HE3	H	2.990	0.000
430	1	36	LYS	CA	C	53.595	0.000
431	1	36	LYS	CB	C	32.940	0.000
432	1	36	LYS	CG	C	24.484	0.000
433	1	36	LYS	CD	C	29.559	0.000
434	1	36	LYS	CE	C	42.500	0.000
435	1	36	LYS	N	N	122.435	0.001
436	1	37	PRO	HA	H	4.286	0.000
437	1	37	PRO	HB2	H	2.201	0.000
438	1	37	PRO	HB3	H	2.242	0.000
439	1	37	PRO	HG2	H	1.920	0.000
440	1	37	PRO	HG3	H	1.920	0.000
441	1	37	PRO	HD2	H	3.570	0.000
442	1	37	PRO	HD3	H	3.570	0.000
443	1	37	PRO	C	C	176.324	0.000
444	1	37	PRO	CA	C	63.023	0.000
445	1	37	PRO	CB	C	32.050	0.000
446	1	37	PRO	CG	C	27.680	0.000
447	1	37	PRO	CD	C	50.726	0.000
448	1	38	TYR	H	H	8.223	0.000
449	1	38	TYR	HA	H	4.478	0.000
450	1	38	TYR	HB2	H	3.008	0.000
451	1	38	TYR	HB3	H	2.842	0.000
452	1	38	TYR	HD1	H	7.047	0.000
453	1	38	TYR	HD2	H	7.047	0.000
454	1	38	TYR	HE1	H	6.765	0.000
455	1	38	TYR	HE2	H	6.765	0.000
456	1	38	TYR	C	C	175.028	0.000
457	1	38	TYR	CA	C	57.887	0.000
458	1	38	TYR	CB	C	38.650	0.000
459	1	38	TYR	CD1	C	134.002	0.000
460	1	38	TYR	CD2	C	134.002	0.000
461	1	38	TYR	CE1	C	119.101	0.000
462	1	38	TYR	CE2	C	119.101	0.000
463	1	38	TYR	N	N	120.843	0.008
464	1	39	VAL	H	H	7.769	0.000
465	1	39	VAL	HA	H	4.262	0.000
466	1	39	VAL	HB	H	1.884	0.000
467	1	39	VAL	HG11	H	0.845	0.000
468	1	39	VAL	HG12	H	0.845	0.000
469	1	39	VAL	HG13	H	0.845	0.000
470	1	39	VAL	HG21	H	0.814	0.000
471	1	39	VAL	HG22	H	0.814	0.000
472	1	39	VAL	HG23	H	0.814	0.000
473	1	39	VAL	CA	C	59.262	0.000
474	1	39	VAL	CB	C	33.040	0.000
475	1	39	VAL	CG1	C	21.100	0.000
476	1	39	VAL	CG2	C	20.430	0.000
477	1	39	VAL	N	N	126.086	0.001
478	1	40	PRO	HA	H	4.282	0.000
479	1	40	PRO	HB2	H	1.861	0.000
480	1	40	PRO	HB3	H	1.760	0.000
481	1	40	PRO	HG2	H	1.915	0.000
482	1	40	PRO	HG3	H	1.915	0.000
483	1	40	PRO	HD2	H	3.571	0.000
484	1	40	PRO	HD3	H	3.571	0.000
485	1	40	PRO	C	C	176.715	0.000
486	1	40	PRO	CA	C	62.600	0.000
487	1	40	PRO	CB	C	32.041	0.000
488	1	40	PRO	CG	C	26.894	0.000
489	1	40	PRO	CD	C	50.413	0.000
490	1	41	VAL	H	H	8.159	0.000
491	1	41	VAL	HA	H	4.133	0.000
492	1	41	VAL	HB	H	2.066	0.000
493	1	41	VAL	HG11	H	0.923	0.000
494	1	41	VAL	HG12	H	0.923	0.000
495	1	41	VAL	HG13	H	0.923	0.000
496	1	41	VAL	HG21	H	0.939	0.000
497	1	41	VAL	HG22	H	0.939	0.000
498	1	41	VAL	HG23	H	0.939	0.000
499	1	41	VAL	C	C	176.576	0.000
500	1	41	VAL	CA	C	62.340	0.000
501	1	41	VAL	CB	C	32.910	0.000
502	1	41	VAL	CG1	C	21.300	0.000
503	1	41	VAL	CG2	C	20.440	0.000
504	1	41	VAL	N	N	120.251	0.008
505	1	42	THR	H	H	8.229	0.000
506	1	42	THR	HA	H	4.426	0.000
507	1	42	THR	HB	H	4.197	0.000
508	1	42	THR	HG21	H	1.152	0.000
509	1	42	THR	HG22	H	1.152	0.000
510	1	42	THR	HG23	H	1.152	0.000
511	1	42	THR	C	C	174.562	0.000
512	1	42	THR	CA	C	61.711	0.000
513	1	42	THR	CB	C	69.860	0.000
514	1	42	THR	CG2	C	21.540	0.000
515	1	42	THR	N	N	117.854	0.000
516	1	43	THR	H	H	8.167	0.000
517	1	43	THR	HA	H	4.352	0.000
518	1	43	THR	HB	H	4.196	0.000
519	1	43	THR	HG21	H	1.151	0.000
520	1	43	THR	HG22	H	1.151	0.000
521	1	43	THR	HG23	H	1.151	0.000
522	1	43	THR	C	C	174.286	0.000
523	1	43	THR	CA	C	61.683	0.014
524	1	43	THR	CB	C	69.870	0.000
525	1	43	THR	CG2	C	21.380	0.000
526	1	43	THR	N	N	116.191	0.001
527	1	44	SER	H	H	8.224	0.000
528	1	44	SER	HA	H	4.424	0.000
529	1	44	SER	HB2	H	3.768	0.000
530	1	44	SER	HB3	H	3.768	0.000
531	1	44	SER	C	C	173.945	0.000
532	1	44	SER	CA	C	58.217	0.000
533	1	44	SER	CB	C	63.866	0.000
534	1	44	SER	N	N	117.627	0.004
535	1	45	PHE	H	H	8.224	0.000
536	1	45	PHE	HA	H	4.646	0.000
537	1	45	PHE	HB2	H	3.165	0.001
538	1	45	PHE	HB3	H	2.994	0.000
539	1	45	PHE	HD1	H	7.249	0.000
540	1	45	PHE	HD2	H	7.249	0.000
541	1	45	PHE	HE1	H	7.322	0.000
542	1	45	PHE	HE2	H	7.322	0.000
543	1	45	PHE	HZ	H	7.249	0.000
544	1	45	PHE	C	C	175.395	0.000
545	1	45	PHE	CA	C	57.696	0.000
546	1	45	PHE	CB	C	39.620	0.000
547	1	45	PHE	CD1	C	132.908	0.004
548	1	45	PHE	CD2	C	132.908	0.000
549	1	45	PHE	CE1	C	132.906	0.002
550	1	45	PHE	CE2	C	132.906	0.000
551	1	45	PHE	CZ	C	132.914	0.000
552	1	45	PHE	N	N	121.712	0.003
553	1	46	ASN	H	H	8.349	0.000
554	1	46	ASN	HA	H	4.730	0.000
555	1	46	ASN	HB2	H	2.772	0.000
556	1	46	ASN	HB3	H	2.678	0.000
557	1	46	ASN	HD21	H	7.567	0.000
558	1	46	ASN	HD22	H	6.903	0.001
559	1	46	ASN	C	C	174.061	0.000
560	1	46	ASN	CA	C	52.923	0.000
561	1	46	ASN	CB	C	38.928	0.000
562	1	46	ASN	N	N	120.550	0.006
563	1	46	ASN	ND2	N	112.841	0.000
564	1	47	CYS	H	H	7.970	0.000
565	1	47	CYS	HA	H	4.812	0.000
566	1	47	CYS	HB2	H	3.087	0.000
567	1	47	CYS	HB3	H	2.992	0.000
568	1	47	CYS	C	C	172.342	0.000
569	1	47	CYS	CA	C	54.242	0.000
570	1	47	CYS	CB	C	42.921	0.000
571	1	47	CYS	N	N	116.724	0.001
572	1	48	ALA	H	H	8.960	0.000
573	1	48	ALA	HA	H	4.434	0.000
574	1	48	ALA	HB1	H	1.252	0.000
575	1	48	ALA	HB2	H	1.252	0.000
576	1	48	ALA	HB3	H	1.252	0.000
577	1	48	ALA	C	C	174.127	0.000
578	1	48	ALA	CA	C	51.995	0.000
579	1	48	ALA	CB	C	19.956	0.000
580	1	48	ALA	N	N	125.734	0.005
581	1	49	LYS	H	H	8.429	0.000
582	1	49	LYS	HA	H	4.045	0.000
583	1	49	LYS	HB2	H	1.923	0.000
584	1	49	LYS	HB3	H	1.458	0.000
585	1	49	LYS	HG2	H	1.386	0.000
586	1	49	LYS	HG3	H	1.571	0.000
587	1	49	LYS	HD2	H	1.649	0.000
588	1	49	LYS	HD3	H	1.649	0.000
589	1	49	LYS	HE2	H	2.972	0.000
590	1	49	LYS	HE3	H	2.972	0.000
591	1	49	LYS	C	C	175.349	0.000
592	1	49	LYS	CA	C	54.643	0.000
593	1	49	LYS	CB	C	33.857	0.000
594	1	49	LYS	CG	C	25.520	0.000
595	1	49	LYS	CD	C	29.263	0.000
596	1	49	LYS	CE	C	42.193	0.000
597	1	49	LYS	N	N	122.733	0.001
598	1	50	GLU	H	H	8.335	0.000
599	1	50	GLU	HA	H	3.468	0.000
600	1	50	GLU	HB2	H	1.863	0.000
601	1	50	GLU	HB3	H	1.863	0.000
602	1	50	GLU	HG2	H	2.224	0.000
603	1	50	GLU	HG3	H	2.120	0.000
604	1	50	GLU	C	C	177.595	0.000
605	1	50	GLU	CA	C	58.624	0.000
606	1	50	GLU	CB	C	29.465	0.000
607	1	50	GLU	CG	C	36.000	0.000
608	1	50	GLU	N	N	119.807	0.002
609	1	51	GLY	H	H	9.011	0.000
610	1	51	GLY	HA2	H	4.211	0.000
611	1	51	GLY	HA3	H	3.583	0.000
612	1	51	GLY	C	C	173.402	0.000
613	1	51	GLY	CA	C	45.607	0.000
614	1	51	GLY	N	N	113.078	0.000
615	1	52	GLU	H	H	8.159	0.000
616	1	52	GLU	HA	H	4.623	0.000
617	1	52	GLU	HB2	H	2.011	0.000
618	1	52	GLU	HB3	H	2.334	0.000
619	1	52	GLU	HG2	H	2.156	0.000
620	1	52	GLU	HG3	H	2.070	0.000
621	1	52	GLU	C	C	175.720	0.000
622	1	52	GLU	CA	C	55.235	0.000
623	1	52	GLU	CB	C	30.783	0.000
624	1	52	GLU	CG	C	37.620	0.000
625	1	52	GLU	N	N	119.825	0.002
626	1	53	VAL	H	H	8.241	0.000
627	1	53	VAL	HA	H	4.282	0.000
628	1	53	VAL	HB	H	1.863	0.000
629	1	53	VAL	HG11	H	0.844	0.000
630	1	53	VAL	HG12	H	0.844	0.000
631	1	53	VAL	HG13	H	0.844	0.000
632	1	53	VAL	HG21	H	0.857	0.000
633	1	53	VAL	HG22	H	0.857	0.000
634	1	53	VAL	HG23	H	0.857	0.000
635	1	53	VAL	C	C	175.229	0.000
636	1	53	VAL	CA	C	62.980	0.000
637	1	53	VAL	CB	C	32.270	0.000
638	1	53	VAL	CG1	C	21.360	0.000
639	1	53	VAL	CG2	C	21.990	0.000
640	1	53	VAL	N	N	120.481	0.002
641	1	54	CYS	H	H	7.998	0.000
642	1	54	CYS	HA	H	5.099	0.001
643	1	54	CYS	HB2	H	3.346	0.000
644	1	54	CYS	HB3	H	3.268	0.000
645	1	54	CYS	C	C	173.108	0.000
646	1	54	CYS	CA	C	53.189	0.000
647	1	54	CYS	CB	C	48.570	0.000
648	1	54	CYS	N	N	120.177	0.006
649	1	55	GLY	H	H	7.899	0.000
650	1	55	GLY	HA2	H	4.032	0.000
651	1	55	GLY	HA3	H	3.744	0.000
652	1	55	GLY	C	C	174.255	0.000
653	1	55	GLY	CA	C	44.817	0.000
654	1	55	GLY	N	N	106.286	0.001
655	1	56	TRP	H	H	8.514	0.000
656	1	56	TRP	HA	H	4.347	0.000
657	1	56	TRP	HB2	H	3.291	0.000
658	1	56	TRP	HB3	H	3.163	0.000
659	1	56	TRP	HD1	H	7.222	0.001
660	1	56	TRP	HE1	H	10.083	0.000
661	1	56	TRP	HE3	H	7.565	0.000
662	1	56	TRP	HZ2	H	7.336	0.000
663	1	56	TRP	HZ3	H	7.140	0.000
664	1	56	TRP	HH2	H	7.197	0.000
665	1	56	TRP	C	C	176.949	0.000
666	1	56	TRP	CA	C	58.897	0.000
667	1	56	TRP	CB	C	27.880	0.000
668	1	56	TRP	CD1	C	128.131	0.000
669	1	56	TRP	CE3	C	121.767	0.000
670	1	56	TRP	CZ2	C	115.540	0.000
671	1	56	TRP	CZ3	C	123.119	0.000
672	1	56	TRP	CH2	C	125.395	0.000
673	1	56	TRP	N	N	121.620	0.003
674	1	56	TRP	NE1	N	129.109	0.009
675	1	57	GLY	H	H	8.368	0.000
676	1	57	GLY	HA2	H	4.000	0.000
677	1	57	GLY	HA3	H	3.627	0.000
678	1	57	GLY	C	C	174.250	0.000
679	1	57	GLY	CA	C	45.206	0.000
680	1	57	GLY	N	N	108.765	0.004
681	1	58	SER	H	H	7.720	0.000
682	1	58	SER	HA	H	4.649	0.000
683	1	58	SER	HB2	H	3.763	0.000
684	1	58	SER	HB3	H	3.637	0.000
685	1	58	SER	C	C	173.035	0.000
686	1	58	SER	CA	C	57.285	0.000
687	1	58	SER	CB	C	64.201	0.000
688	1	58	SER	N	N	116.740	0.002
689	1	59	LYS	H	H	8.506	0.000
690	1	59	LYS	HA	H	4.527	0.000
691	1	59	LYS	HB2	H	1.830	0.000
692	1	59	LYS	HB3	H	1.689	0.000
693	1	59	LYS	HG2	H	1.431	0.000
694	1	59	LYS	HG3	H	1.431	0.000
695	1	59	LYS	HD2	H	1.646	0.000
696	1	59	LYS	HD3	H	1.646	0.000
697	1	59	LYS	HE2	H	2.974	0.000
698	1	59	LYS	HE3	H	2.974	0.000
699	1	59	LYS	C	C	176.944	0.000
700	1	59	LYS	CA	C	54.866	0.000
701	1	59	LYS	CB	C	33.857	0.000
702	1	59	LYS	CG	C	24.687	0.000
703	1	59	LYS	CD	C	28.950	0.000
704	1	59	LYS	CE	C	42.320	0.000
705	1	59	LYS	N	N	124.409	0.000
706	1	60	CYS	H	H	9.117	0.000
707	1	60	CYS	HA	H	5.101	0.000
708	1	60	CYS	HB2	H	3.153	0.000
709	1	60	CYS	HB3	H	2.533	0.000
710	1	60	CYS	C	C	176.360	0.000
711	1	60	CYS	CA	C	55.856	0.000
712	1	60	CYS	CB	C	40.754	0.000
713	1	60	CYS	N	N	120.520	0.002
714	1	61	CYS	H	H	9.581	0.000
715	1	61	CYS	HA	H	4.510	0.000
716	1	61	CYS	HB2	H	3.392	0.000
717	1	61	CYS	HB3	H	2.546	0.000
718	1	61	CYS	C	C	172.461	0.000
719	1	61	CYS	CA	C	54.240	0.000
720	1	61	CYS	CB	C	40.460	0.000
721	1	61	CYS	N	N	121.745	0.002
722	1	62	HIS	H	H	8.460	0.000
723	1	62	HIS	HA	H	4.346	0.000
724	1	62	HIS	HB2	H	3.235	0.000
725	1	62	HIS	HB3	H	3.070	0.000
726	1	62	HIS	HD2	H	7.244	0.000
727	1	62	HIS	HE1	H	8.335	0.000
728	1	62	HIS	C	C	175.622	0.000
729	1	62	HIS	CA	C	58.282	0.000
730	1	62	HIS	CB	C	29.250	0.000
731	1	62	HIS	CD2	C	121.122	0.000
732	1	62	HIS	CE1	C	138.367	0.000
733	1	62	HIS	N	N	117.481	0.005
734	1	63	GLY	H	H	8.613	0.001
735	1	63	GLY	HA2	H	4.154	0.000
736	1	63	GLY	HA3	H	3.438	0.000
737	1	63	GLY	C	C	173.046	0.000
738	1	63	GLY	CA	C	44.733	0.000
739	1	63	GLY	N	N	113.378	0.002
740	1	64	LEU	H	H	7.632	0.000
741	1	64	LEU	HA	H	4.867	0.000
742	1	64	LEU	HB2	H	2.090	0.000
743	1	64	LEU	HB3	H	1.156	0.000
744	1	64	LEU	HG	H	1.324	0.000
745	1	64	LEU	HD11	H	0.621	0.000
746	1	64	LEU	HD12	H	0.621	0.000
747	1	64	LEU	HD13	H	0.621	0.000
748	1	64	LEU	HD21	H	0.807	0.000
749	1	64	LEU	HD22	H	0.807	0.000
750	1	64	LEU	HD23	H	0.807	0.000
751	1	64	LEU	C	C	174.825	0.000
752	1	64	LEU	CA	C	52.853	0.000
753	1	64	LEU	CB	C	44.711	0.000
754	1	64	LEU	CG	C	26.600	0.000
755	1	64	LEU	CD1	C	23.371	0.000
756	1	64	LEU	CD2	C	26.797	0.000
757	1	64	LEU	N	N	119.834	0.003
758	1	65	ASP	H	H	9.289	0.000
759	1	65	ASP	HA	H	4.813	0.000
760	1	65	ASP	HB2	H	2.348	0.000
761	1	65	ASP	HB3	H	2.143	0.000
762	1	65	ASP	C	C	173.696	0.000
763	1	65	ASP	CA	C	52.570	0.000
764	1	65	ASP	CB	C	44.861	0.000
765	1	65	ASP	N	N	120.235	0.003
766	1	66	CYS	H	H	8.408	0.000
767	1	66	CYS	HA	H	5.249	0.000
768	1	66	CYS	HB2	H	3.241	0.000
769	1	66	CYS	HB3	H	3.075	0.000
770	1	66	CYS	CA	C	52.320	0.000
771	1	66	CYS	CB	C	41.072	0.000
772	1	66	CYS	N	N	123.159	0.004
773	1	67	PRO	HA	H	4.446	0.000
774	1	67	PRO	HB2	H	2.235	0.000
775	1	67	PRO	HB3	H	1.880	0.000
776	1	67	PRO	HG2	H	2.046	0.000
777	1	67	PRO	HG3	H	1.943	0.000
778	1	67	PRO	HD2	H	4.000	0.000
779	1	67	PRO	HD3	H	3.561	0.000
780	1	67	PRO	C	C	175.210	0.000
781	1	67	PRO	CA	C	62.710	0.000
782	1	67	PRO	CB	C	32.950	0.000
783	1	67	PRO	CG	C	27.100	0.000
784	1	67	PRO	CD	C	52.170	0.000
785	1	68	LEU	H	H	8.146	0.000
786	1	68	LEU	HA	H	4.253	0.000
787	1	68	LEU	HB2	H	1.528	0.000
788	1	68	LEU	HB3	H	1.528	0.000
789	1	68	LEU	HG	H	1.547	0.000
790	1	68	LEU	HD11	H	0.866	0.000
791	1	68	LEU	HD12	H	0.866	0.000
792	1	68	LEU	HD13	H	0.866	0.000
793	1	68	LEU	HD21	H	0.801	0.000
794	1	68	LEU	HD22	H	0.801	0.000
795	1	68	LEU	HD23	H	0.801	0.000
796	1	68	LEU	C	C	176.001	0.000
797	1	68	LEU	CA	C	55.039	0.000
798	1	68	LEU	CB	C	40.520	0.000
799	1	68	LEU	CG	C	27.176	0.000
800	1	68	LEU	CD1	C	24.800	0.000
801	1	68	LEU	CD2	C	23.910	0.000
802	1	68	LEU	N	N	119.951	0.001
803	1	69	ALA	H	H	7.424	0.000
804	1	69	ALA	HA	H	4.373	0.000
805	1	69	ALA	HB1	H	1.190	0.000
806	1	69	ALA	HB2	H	1.190	0.000
807	1	69	ALA	HB3	H	1.190	0.000
808	1	69	ALA	C	C	176.023	0.000
809	1	69	ALA	CA	C	50.870	0.000
810	1	69	ALA	CB	C	21.783	0.000
811	1	69	ALA	N	N	125.904	0.002
812	1	70	PHE	H	H	8.402	0.000
813	1	70	PHE	HA	H	4.354	0.000
814	1	70	PHE	HB2	H	3.185	0.000
815	1	70	PHE	HB3	H	3.067	0.000
816	1	70	PHE	HD1	H	7.321	0.000
817	1	70	PHE	HD2	H	7.321	0.000
818	1	70	PHE	HE1	H	7.380	0.000
819	1	70	PHE	HE2	H	7.380	0.000
820	1	70	PHE	HZ	H	7.321	0.000
821	1	70	PHE	C	C	176.754	0.000
822	1	70	PHE	CA	C	61.126	0.000
823	1	70	PHE	CB	C	38.634	0.000
824	1	70	PHE	CD1	C	132.722	0.003
825	1	70	PHE	CD2	C	132.722	0.000
826	1	70	PHE	CE1	C	132.686	0.000
827	1	70	PHE	CE2	C	132.686	0.000
828	1	70	PHE	CZ	C	132.727	0.000
829	1	70	PHE	N	N	120.619	0.004
830	1	71	ILE	H	H	7.775	0.000
831	1	71	ILE	HA	H	4.257	0.000
832	1	71	ILE	HB	H	1.742	0.000
833	1	71	ILE	HG12	H	1.332	0.000
834	1	71	ILE	HG13	H	1.332	0.000
835	1	71	ILE	HG21	H	0.563	0.000
836	1	71	ILE	HG22	H	0.563	0.000
837	1	71	ILE	HG23	H	0.563	0.000
838	1	71	ILE	HD11	H	0.805	0.000
839	1	71	ILE	HD12	H	0.805	0.000
840	1	71	ILE	HD13	H	0.805	0.000
841	1	71	ILE	CA	C	58.690	0.000
842	1	71	ILE	CB	C	38.600	0.000
843	1	71	ILE	CG1	C	26.990	0.000
844	1	71	ILE	CG2	C	17.610	0.000
845	1	71	ILE	CD1	C	12.984	0.000
846	1	71	ILE	N	N	117.403	0.003
847	1	72	PRO	HA	H	4.341	0.000
848	1	72	PRO	HB2	H	2.084	0.000
849	1	72	PRO	HB3	H	2.022	0.000
850	1	72	PRO	HG2	H	2.147	0.000
851	1	72	PRO	HG3	H	2.147	0.000
852	1	72	PRO	HD2	H	3.611	0.000
853	1	72	PRO	HD3	H	3.611	0.000
854	1	72	PRO	C	C	174.616	0.000
855	1	72	PRO	CA	C	62.040	0.000
856	1	72	PRO	CB	C	32.694	0.000
857	1	72	PRO	CG	C	26.650	0.000
858	1	72	PRO	CD	C	50.410	0.000
859	1	73	TYR	H	H	7.376	0.000
860	1	73	TYR	HA	H	5.042	0.000
861	1	73	TYR	HB2	H	2.615	0.000
862	1	73	TYR	HB3	H	2.439	0.000
863	1	73	TYR	HD1	H	6.890	0.000
864	1	73	TYR	HD2	H	6.890	0.000
865	1	73	TYR	HE1	H	6.680	0.000
866	1	73	TYR	HE2	H	6.680	0.000
867	1	73	TYR	C	C	176.331	0.000
868	1	73	TYR	CA	C	55.105	0.000
869	1	73	TYR	CB	C	41.418	0.000
870	1	73	TYR	CD1	C	134.383	0.000
871	1	73	TYR	CD2	C	134.383	0.000
872	1	73	TYR	CE1	C	119.110	0.000
873	1	73	TYR	CE2	C	119.110	0.000
874	1	73	TYR	N	N	116.903	0.006
875	1	74	CYS	H	H	8.679	0.000
876	1	74	CYS	HA	H	4.762	0.000
877	1	74	CYS	HB2	H	3.275	0.000
878	1	74	CYS	HB3	H	2.651	0.000
879	1	74	CYS	C	C	176.127	0.000
880	1	74	CYS	CA	C	57.219	0.000
881	1	74	CYS	CB	C	41.567	0.000
882	1	74	CYS	N	N	118.150	0.001
883	1	75	GLU	H	H	9.285	0.000
884	1	75	GLU	HA	H	4.940	0.000
885	1	75	GLU	HB2	H	2.081	0.000
886	1	75	GLU	HB3	H	1.957	0.000
887	1	75	GLU	HG2	H	2.354	0.000
888	1	75	GLU	HG3	H	2.354	0.000
889	1	75	GLU	C	C	174.500	0.000
890	1	75	GLU	CA	C	54.008	0.000
891	1	75	GLU	CB	C	33.592	0.000
892	1	75	GLU	CG	C	34.536	0.000
893	1	75	GLU	N	N	122.658	0.005
894	1	76	LYS	H	H	8.850	0.000
895	1	76	LYS	HA	H	4.316	0.000
896	1	76	LYS	HB2	H	1.800	0.000
897	1	76	LYS	HB3	H	1.596	0.000
898	1	76	LYS	HG2	H	1.339	0.000
899	1	76	LYS	HG3	H	1.413	0.000
900	1	76	LYS	HD2	H	1.647	0.000
901	1	76	LYS	HD3	H	1.647	0.000
902	1	76	LYS	HE2	H	2.965	0.000
903	1	76	LYS	HE3	H	2.965	0.000
904	1	76	LYS	C	C	176.680	0.000
905	1	76	LYS	CA	C	57.063	0.000
906	1	76	LYS	CB	C	33.250	0.000
907	1	76	LYS	CG	C	25.296	0.000
908	1	76	LYS	CD	C	29.279	0.000
909	1	76	LYS	CE	C	41.840	0.000
910	1	76	LYS	N	N	122.303	0.003
911	1	77	TYR	H	H	8.101	0.000
912	1	77	TYR	HA	H	4.493	0.000
913	1	77	TYR	HB2	H	2.980	0.000
914	1	77	TYR	HB3	H	2.834	0.000
915	1	77	TYR	HD1	H	7.053	0.000
916	1	77	TYR	HD2	H	7.053	0.000
917	1	77	TYR	HE1	H	6.765	0.000
918	1	77	TYR	HE2	H	6.765	0.000
919	1	77	TYR	C	C	175.259	0.000
920	1	77	TYR	CA	C	58.400	0.000
921	1	77	TYR	CB	C	38.650	0.000
922	1	77	TYR	CD1	C	133.993	0.000
923	1	77	TYR	CD2	C	133.993	0.000
924	1	77	TYR	CE1	C	119.123	0.000
925	1	77	TYR	CE2	C	119.123	0.000
926	1	77	TYR	N	N	122.955	0.004
927	1	78	ARG	H	H	7.931	0.000
928	1	78	ARG	HA	H	4.094	0.000
929	1	78	ARG	HB2	H	1.655	0.000
930	1	78	ARG	HB3	H	1.777	0.000
931	1	78	ARG	HG2	H	1.524	0.000
932	1	78	ARG	HG3	H	1.524	0.000
933	1	78	ARG	HD2	H	3.140	0.000
934	1	78	ARG	HD3	H	3.140	0.000
935	1	78	ARG	HE	H	7.187	0.000
936	1	78	ARG	CA	C	57.450	0.000
937	1	78	ARG	CB	C	31.711	0.000
938	1	78	ARG	CG	C	27.210	0.000
939	1	78	ARG	CD	C	43.540	0.000
940	1	78	ARG	N	N	128.059	0.001
941	1	78	ARG	NE	N	113.408	0.000

LACS Plot; CA

Referencing offset: -0.05 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.05 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.02 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.41 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 6CUC, Strand ID: A Detail

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Release date

2018-03-25

Citation

Structural Basis of the Bivalency of the TRPV1 Agonist DkTx
Ramanujam, V., Crawford, T., Cristofori-Armstrong, B., Deuis, J.R., Jia, X., Maxwell, M.J., Jami, S., Ma, L., Vetter, I., Mobli, M.
Angew. Chem Int Ed Engl. (2024), 63, e202314621-e202314621, PubMed 37953402 , DOI 10.1002/anie.202314621 , Abstract