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BMRB: 31034

6T3J

Preligand association structure of DR5

Authors

Du, G., Zhao, L., Chou, J.J.

Assembly

Tumor necrosis factor receptor superfamily member 10B

Entity

1. Tumor necrosis factor receptor superfamily member 10B (polymer, Thiol state: all disulfide bound), 109 monomers, 12216.50 × 3 Da Detail

SEGLCPPGHH ISEDGRDCIS CKYGQDYSTH WNDLLFCLRC TRCDSGEVEL SPCTTTRNTV CQCEEGTFRE EDSPEMCRKC RTGCPRGMVK VGDCTPWSDI ECVHKESGD

Total weight

36649.5 Da

Max. entity weight

12216.5 Da

Entity Connection

disulfide 21 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS5:SG	1:CYS18:SG
2	disulfide	sing	1:CYS21:SG	1:CYS37:SG
3	disulfide	sing	1:CYS40:SG	1:CYS53:SG
4	disulfide	sing	1:CYS43:SG	1:CYS61:SG
5	disulfide	sing	1:CYS63:SG	1:CYS77:SG
6	disulfide	sing	1:CYS80:SG	1:CYS94:SG
7	disulfide	sing	1:CYS84:SG	1:CYS102:SG
8	disulfide	sing	1:CYS5:SG	1:CYS18:SG
9	disulfide	sing	1:CYS21:SG	1:CYS37:SG
10	disulfide	sing	1:CYS40:SG	1:CYS53:SG
11	disulfide	sing	1:CYS43:SG	1:CYS61:SG
12	disulfide	sing	1:CYS63:SG	1:CYS77:SG
13	disulfide	sing	1:CYS80:SG	1:CYS94:SG
14	disulfide	sing	1:CYS84:SG	1:CYS102:SG
15	disulfide	sing	1:CYS5:SG	1:CYS18:SG
16	disulfide	sing	1:CYS21:SG	1:CYS37:SG
17	disulfide	sing	1:CYS40:SG	1:CYS53:SG
18	disulfide	sing	1:CYS43:SG	1:CYS61:SG
19	disulfide	sing	1:CYS63:SG	1:CYS77:SG
20	disulfide	sing	1:CYS80:SG	1:CYS94:SG
21	disulfide	sing	1:CYS84:SG	1:CYS102:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 386, ¹³C: 348, ¹⁵N: 97 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	SER	HA	H	4.52	0.020	1
2	1	1	SER	HB2	H	3.73	0.020
3	1	1	SER	HB3	H	3.73	0.020
4	1	1	SER	C	C	176.42	0.050	1
5	1	1	SER	CA	C	56.62	0.050	1
6	1	1	SER	CB	C	63.06	0.050	1
7	1	1	SER	N	N	117.44	0.030	1
8	1	2	GLU	CA	C	56.49	0.050	1
9	1	2	GLU	CB	C	26.59	0.050	1
10	1	3	GLY	H	H	8.27	0.010	1
11	1	3	GLY	HA2	H	3.49	0.020
12	1	3	GLY	HA3	H	3.49	0.020
13	1	3	GLY	C	C	172.70	0.050	1
14	1	3	GLY	CA	C	44.33	0.050	1
15	1	3	GLY	N	N	103.09	0.030	1
16	1	4	LEU	H	H	7.45	0.010	1
17	1	4	LEU	HA	H	4.83	0.020	1
18	1	4	LEU	HB2	H	1.58	0.020
19	1	4	LEU	HB3	H	1.58	0.020
20	1	4	LEU	HD11	H	0.83	0.010
21	1	4	LEU	HD12	H	0.83	0.010
22	1	4	LEU	HD13	H	0.83	0.010
23	1	4	LEU	HD21	H	0.74	0.010
24	1	4	LEU	HD22	H	0.74	0.010
25	1	4	LEU	HD23	H	0.74	0.010
26	1	4	LEU	C	C	176.23	0.050	1
27	1	4	LEU	CA	C	52.53	0.050	1
28	1	4	LEU	CB	C	45.42	0.050	1
29	1	4	LEU	CD1	C	26.04	0.020
30	1	4	LEU	CD2	C	23.44	0.020
31	1	4	LEU	N	N	116.89	0.030	1
32	1	5	CYS	H	H	9.51	0.010	1
33	1	5	CYS	C	C	180.71	0.050	1
34	1	5	CYS	CA	C	51.85	0.050	1
35	1	5	CYS	CB	C	38.45	0.050	1
36	1	5	CYS	N	N	118.86	0.030	1
37	1	7	PRO	HA	H	3.70	0.020	1
38	1	7	PRO	C	C	178.28	0.050	1
39	1	7	PRO	CA	C	62.53	0.050	1
40	1	7	PRO	CB	C	30.58	0.050	1
41	1	8	GLY	H	H	9.08	0.010	1
42	1	8	GLY	HA2	H	3.79	0.020
43	1	8	GLY	HA3	H	3.79	0.020
44	1	8	GLY	C	C	174.10	0.050	1
45	1	8	GLY	CA	C	44.51	0.050	1
46	1	8	GLY	N	N	116.79	0.030	1
47	1	9	HIS	H	H	7.80	0.010	1
48	1	9	HIS	HA	H	5.14	0.020	1
49	1	9	HIS	HB2	H	2.93	0.020
50	1	9	HIS	HB3	H	2.93	0.020
51	1	9	HIS	C	C	173.01	0.050	1
52	1	9	HIS	CA	C	54.96	0.050	1
53	1	9	HIS	CB	C	32.48	0.050	1
54	1	9	HIS	N	N	119.85	0.030	1
55	1	10	HIS	H	H	9.00	0.010	1
56	1	10	HIS	HA	H	5.26	0.020	1
57	1	10	HIS	HB2	H	2.58	0.020
58	1	10	HIS	HB3	H	2.58	0.020
59	1	10	HIS	C	C	172.19	0.050	1
60	1	10	HIS	CA	C	53.63	0.050	1
61	1	10	HIS	CB	C	29.94	0.050	1
62	1	10	HIS	N	N	117.44	0.030	1
63	1	11	ILE	H	H	8.68	0.010	1
64	1	11	ILE	HA	H	5.23	0.020	1
65	1	11	ILE	HG21	H	0.73	0.020	1
66	1	11	ILE	HG22	H	0.73	0.020	1
67	1	11	ILE	HG23	H	0.73	0.020	1
68	1	11	ILE	HD11	H	0.82	0.020	1
69	1	11	ILE	HD12	H	0.82	0.020	1
70	1	11	ILE	HD13	H	0.82	0.020	1
71	1	11	ILE	C	C	175.53	0.050	1
72	1	11	ILE	CA	C	60.90	0.050	1
73	1	11	ILE	CB	C	42.25	0.050	1
74	1	11	ILE	CG2	C	15.82	0.020	1
75	1	11	ILE	CD1	C	14.68	0.020	1
76	1	11	ILE	N	N	123.68	0.030	1
77	1	12	SER	H	H	8.36	0.010	1
78	1	12	SER	HA	H	4.60	0.020	1
79	1	12	SER	C	C	176.31	0.050	1
80	1	12	SER	CA	C	57.57	0.050	1
81	1	12	SER	CB	C	64.04	0.050	1
82	1	12	SER	N	N	121.16	0.030	1
83	1	13	GLU	H	H	9.10	0.010	1
84	1	13	GLU	HA	H	3.97	0.020	1
85	1	13	GLU	HB2	H	2.07	0.020
86	1	13	GLU	HB3	H	2.07	0.020
87	1	13	GLU	HG2	H	2.55	0.020
88	1	13	GLU	HG3	H	2.55	0.020
89	1	13	GLU	C	C	177.23	0.050	1
90	1	13	GLU	CA	C	59.31	0.050	1
91	1	13	GLU	CB	C	28.85	0.050	1
92	1	13	GLU	CG	C	33.96	0.020	1
93	1	13	GLU	N	N	122.36	0.030	1
94	1	14	ASP	H	H	7.94	0.010	1
95	1	14	ASP	HA	H	4.52	0.020	1
96	1	14	ASP	HB2	H	3.03	0.020
97	1	14	ASP	HB3	H	2.58	0.020
98	1	14	ASP	C	C	177.40	0.050	1
99	1	14	ASP	CA	C	52.57	0.050	1
100	1	14	ASP	CB	C	39.81	0.050	1
101	1	14	ASP	N	N	114.38	0.030	1
102	1	15	GLY	H	H	7.87	0.010	1
103	1	15	GLY	HA2	H	3.59	0.020
104	1	15	GLY	HA3	H	4.05	0.020
105	1	15	GLY	C	C	174.21	0.050	1
106	1	15	GLY	CA	C	45.15	0.050	1
107	1	15	GLY	N	N	109.13	0.030	1
108	1	16	ARG	H	H	7.66	0.010	1
109	1	16	ARG	HA	H	4.20	0.020	1
110	1	16	ARG	C	C	175.58	0.050	1
111	1	16	ARG	CA	C	56.66	0.050	1
112	1	16	ARG	CB	C	30.85	0.050	1
113	1	16	ARG	CD	C	43.29	0.020	1
114	1	16	ARG	N	N	116.68	0.030	1
115	1	17	ASP	H	H	8.08	0.010	1
116	1	17	ASP	HA	H	5.16	0.020	1
117	1	17	ASP	HB2	H	2.37	0.020
118	1	17	ASP	HB3	H	2.37	0.020
119	1	17	ASP	C	C	173.76	0.050	1
120	1	17	ASP	CA	C	52.69	0.050	1
121	1	17	ASP	CB	C	44.97	0.050	1
122	1	17	ASP	N	N	118.43	0.030	1
123	1	18	CYS	H	H	8.38	0.010	1
124	1	18	CYS	HA	H	5.25	0.020	1
125	1	18	CYS	HB2	H	2.76	0.020
126	1	18	CYS	HB3	H	2.76	0.020
127	1	18	CYS	C	C	173.51	0.050	1
128	1	18	CYS	CA	C	52.83	0.050	1
129	1	18	CYS	CB	C	38.45	0.050	1
130	1	18	CYS	N	N	117.55	0.030	1
131	1	19	ILE	H	H	8.96	0.010	1
132	1	19	ILE	HA	H	4.10	0.020	1
133	1	19	ILE	HG21	H	0.86	0.020	1
134	1	19	ILE	HG22	H	0.86	0.020	1
135	1	19	ILE	HG23	H	0.86	0.020	1
136	1	19	ILE	HD11	H	0.69	0.020	1
137	1	19	ILE	HD12	H	0.69	0.020	1
138	1	19	ILE	HD13	H	0.69	0.020	1
139	1	19	ILE	C	C	175.09	0.050	1
140	1	19	ILE	CA	C	58.74	0.050	1
141	1	19	ILE	CB	C	38.94	0.050	1
142	1	19	ILE	CG2	C	17.32	0.020	1
143	1	19	ILE	CD1	C	12.95	0.020	1
144	1	19	ILE	N	N	127.50	0.030	1
145	1	20	SER	H	H	8.66	0.010	1
146	1	20	SER	HA	H	3.83	0.020	1
147	1	20	SER	HB2	H	3.63	0.020
148	1	20	SER	HB3	H	3.63	0.020
149	1	20	SER	C	C	176.48	0.050	1
150	1	20	SER	CA	C	58.96	0.050	1
151	1	20	SER	CB	C	62.61	0.050	1
152	1	20	SER	N	N	120.83	0.030	1
153	1	21	CYS	H	H	8.50	0.010	1
154	1	21	CYS	HA	H	4.68	0.020	1
155	1	21	CYS	C	C	173.80	0.050	1
156	1	21	CYS	CA	C	53.25	0.050	1
157	1	21	CYS	CB	C	36.73	0.050	1
158	1	21	CYS	N	N	125.32	0.030	1
159	1	22	LYS	H	H	9.95	0.010	1
160	1	22	LYS	HA	H	4.37	0.020	1
161	1	22	LYS	HB2	H	1.71	0.020
162	1	22	LYS	HB3	H	1.71	0.020
163	1	22	LYS	HG2	H	1.41	0.020
164	1	22	LYS	HG3	H	1.41	0.020
165	1	22	LYS	C	C	175.31	0.050	1
166	1	22	LYS	CA	C	55.19	0.050	1
167	1	22	LYS	CB	C	32.12	0.050	1
168	1	22	LYS	CG	C	24.94	0.020	1
169	1	22	LYS	CD	C	28.98	0.020	1
170	1	22	LYS	CE	C	42.29	0.020	1
171	1	22	LYS	N	N	125.10	0.030	1
172	1	23	TYR	H	H	8.70	0.010	1
173	1	23	TYR	HA	H	4.61	0.020	1
174	1	23	TYR	HB2	H	2.96	0.020
175	1	23	TYR	HB3	H	2.96	0.020
176	1	23	TYR	C	C	177.02	0.050	1
177	1	23	TYR	CA	C	60.07	0.050	1
178	1	23	TYR	CB	C	37.45	0.050	1
179	1	23	TYR	N	N	129.91	0.030	1
180	1	24	GLY	H	H	9.30	0.010	1
181	1	24	GLY	HA2	H	4.02	0.020
182	1	24	GLY	HA3	H	4.02	0.020
183	1	24	GLY	C	C	172.94	0.050	1
184	1	24	GLY	CA	C	44.85	0.050	1
185	1	24	GLY	N	N	120.61	0.030	1
186	1	25	GLN	H	H	8.44	0.010	1
187	1	25	GLN	HA	H	4.45	0.020	1
188	1	25	GLN	HB2	H	1.70	0.020
189	1	25	GLN	HB3	H	1.70	0.020
190	1	25	GLN	C	C	175.34	0.050	1
191	1	25	GLN	CA	C	56.36	0.050	1
192	1	25	GLN	CB	C	31.21	0.050	1
193	1	25	GLN	N	N	120.94	0.030	1
194	1	26	ASP	H	H	8.88	0.010	1
195	1	26	ASP	HA	H	5.26	0.020	1
196	1	26	ASP	C	C	173.85	0.050	1
197	1	26	ASP	CA	C	54.03	0.050	1
198	1	26	ASP	CB	C	43.62	0.050	1
199	1	26	ASP	N	N	122.25	0.030	1
200	1	27	TYR	H	H	9.11	0.010	1
201	1	27	TYR	HA	H	4.43	0.020	1
202	1	27	TYR	C	C	174.23	0.050	1
203	1	27	TYR	CA	C	57.19	0.050	1
204	1	27	TYR	CB	C	43.52	0.050	1
205	1	27	TYR	N	N	115.04	0.030	1
206	1	28	SER	H	H	8.37	0.010	1
207	1	28	SER	HA	H	4.45	0.020	1
208	1	28	SER	HB2	H	4.37	0.020
209	1	28	SER	HB3	H	4.37	0.020
210	1	28	SER	C	C	175.76	0.050	1
211	1	28	SER	CA	C	57.72	0.050	1
212	1	28	SER	CB	C	64.28	0.050	1
213	1	28	SER	N	N	112.08	0.030	1
214	1	29	THR	H	H	8.83	0.010	1
215	1	29	THR	HA	H	4.38	0.020	1
216	1	29	THR	HG21	H	1.40	0.020	1
217	1	29	THR	HG22	H	1.40	0.020	1
218	1	29	THR	HG23	H	1.40	0.020	1
219	1	29	THR	C	C	174.54	0.050	1
220	1	29	THR	CA	C	62.95	0.050	1
221	1	29	THR	CB	C	69.94	0.050	1
222	1	29	THR	CG2	C	22.42	0.020	1
223	1	29	THR	N	N	116.35	0.030	1
224	1	30	HIS	H	H	7.89	0.010	1
225	1	30	HIS	HA	H	5.16	0.020	1
226	1	30	HIS	C	C	175.02	0.050	1
227	1	30	HIS	CA	C	54.77	0.050	1
228	1	30	HIS	CB	C	33.28	0.050	1
229	1	30	HIS	N	N	119.63	0.030	1
230	1	31	TRP	H	H	8.69	0.010	1
231	1	31	TRP	HA	H	5.05	0.020	1
232	1	31	TRP	HB2	H	3.11	0.020
233	1	31	TRP	HB3	H	3.11	0.020
234	1	31	TRP	HE1	H	10.20	0.020	1
235	1	31	TRP	C	C	178.78	0.050	1
236	1	31	TRP	CA	C	58.59	0.050	1
237	1	31	TRP	CB	C	27.41	0.050	1
238	1	31	TRP	N	N	123.35	0.030	1
239	1	31	TRP	NE1	N	131.16	0.030	1
240	1	32	ASN	H	H	9.71	0.010	1
241	1	32	ASN	HA	H	5.29	0.020	1
242	1	32	ASN	C	C	172.19	0.050	1
243	1	32	ASN	CA	C	54.12	0.050	1
244	1	32	ASN	CB	C	44.33	0.050	1
245	1	32	ASN	N	N	122.14	0.030	1
246	1	33	ASP	H	H	8.35	0.010	1
247	1	33	ASP	HB2	H	2.65	0.020
248	1	33	ASP	HB3	H	2.40	0.020
249	1	33	ASP	C	C	176.17	0.050	1
250	1	33	ASP	CA	C	51.29	0.050	1
251	1	33	ASP	CB	C	38.81	0.050	1
252	1	33	ASP	N	N	122.04	0.030	1
253	1	34	LEU	H	H	8.93	0.010	1
254	1	34	LEU	HA	H	4.26	0.020	1
255	1	34	LEU	HB2	H	1.70	0.020
256	1	34	LEU	HB3	H	1.70	0.020
257	1	34	LEU	HD11	H	0.83	0.010
258	1	34	LEU	HD12	H	0.83	0.010
259	1	34	LEU	HD13	H	0.83	0.010
260	1	34	LEU	HD21	H	0.86	0.010
261	1	34	LEU	HD22	H	0.86	0.010
262	1	34	LEU	HD23	H	0.86	0.010
263	1	34	LEU	C	C	177.96	0.050	1
264	1	34	LEU	CA	C	54.47	0.050	1
265	1	34	LEU	CB	C	41.89	0.050	1
266	1	34	LEU	CD1	C	25.05	0.020
267	1	34	LEU	CD2	C	22.85	0.020
268	1	34	LEU	N	N	122.14	0.030	1
269	1	35	LEU	H	H	8.08	0.010	1
270	1	35	LEU	HA	H	4.38	0.020	1
271	1	35	LEU	HB2	H	1.50	0.020
272	1	35	LEU	HB3	H	1.50	0.020
273	1	35	LEU	HD11	H	0.93	0.010
274	1	35	LEU	HD12	H	0.93	0.010
275	1	35	LEU	HD13	H	0.93	0.010
276	1	35	LEU	HD21	H	0.76	0.010
277	1	35	LEU	HD22	H	0.76	0.010
278	1	35	LEU	HD23	H	0.76	0.010
279	1	35	LEU	C	C	175.19	0.050	1
280	1	35	LEU	CA	C	54.65	0.050	1
281	1	35	LEU	CB	C	41.07	0.050	1
282	1	35	LEU	CD1	C	25.20	0.020
283	1	35	LEU	CD2	C	23.74	0.020
284	1	35	LEU	N	N	119.52	0.030	1
285	1	36	PHE	H	H	6.56	0.010	1
286	1	36	PHE	HA	H	3.74	0.020	1
287	1	36	PHE	HB2	H	2.80	0.020
288	1	36	PHE	HB3	H	2.80	0.020
289	1	36	PHE	C	C	174.57	0.050	1
290	1	36	PHE	CA	C	53.83	0.050	1
291	1	36	PHE	CB	C	39.68	0.050	1
292	1	36	PHE	N	N	113.07	0.030	1
293	1	37	CYS	H	H	8.33	0.010	1
294	1	37	CYS	HA	H	4.39	0.020	1
295	1	37	CYS	C	C	172.71	0.050	1
296	1	37	CYS	CA	C	57.31	0.050	1
297	1	37	CYS	CB	C	45.69	0.050	1
298	1	37	CYS	N	N	117.88	0.030	1
299	1	38	LEU	H	H	8.70	0.010	1
300	1	38	LEU	HA	H	4.16	0.020	1
301	1	38	LEU	HD11	H	0.84	0.010
302	1	38	LEU	HD12	H	0.84	0.010
303	1	38	LEU	HD13	H	0.84	0.010
304	1	38	LEU	HD21	H	0.83	0.010
305	1	38	LEU	HD22	H	0.83	0.010
306	1	38	LEU	HD23	H	0.83	0.010
307	1	38	LEU	C	C	175.94	0.050	1
308	1	38	LEU	CA	C	54.14	0.050	1
309	1	38	LEU	CB	C	39.99	0.050	1
310	1	38	LEU	CD1	C	25.38	0.020
311	1	38	LEU	CD2	C	23.41	0.020
312	1	38	LEU	N	N	124.33	0.030	1
313	1	39	ARG	H	H	8.27	0.010	1
314	1	39	ARG	HA	H	4.08	0.020	1
315	1	39	ARG	HB2	H	1.76	0.020
316	1	39	ARG	HB3	H	1.76	0.020
317	1	39	ARG	HG2	H	1.79	0.020
318	1	39	ARG	HG3	H	1.79	0.020
319	1	39	ARG	C	C	177.77	0.050	1
320	1	39	ARG	CA	C	56.73	0.050	1
321	1	39	ARG	CB	C	29.40	0.050	1
322	1	39	ARG	CG	C	27.36	0.020	1
323	1	39	ARG	CD	C	43.40	0.020	1
324	1	39	ARG	N	N	120.39	0.030	1
325	1	40	CYS	H	H	8.25	0.010	1
326	1	40	CYS	HA	H	4.67	0.020	1
327	1	40	CYS	C	C	175.96	0.050	1
328	1	40	CYS	CA	C	56.74	0.050	1
329	1	40	CYS	CB	C	40.53	0.050	1
330	1	40	CYS	N	N	123.68	0.030	1
331	1	41	THR	H	H	10.05	0.010	1
332	1	41	THR	HA	H	4.21	0.020	1
333	1	41	THR	HB	H	3.98	0.020	1
334	1	41	THR	HG21	H	1.21	0.020	1
335	1	41	THR	HG22	H	1.21	0.020	1
336	1	41	THR	HG23	H	1.21	0.020	1
337	1	41	THR	C	C	174.32	0.050	1
338	1	41	THR	CA	C	62.87	0.050	1
339	1	41	THR	CB	C	69.31	0.050	1
340	1	41	THR	CG2	C	22.50	0.020	1
341	1	41	THR	N	N	123.02	0.030	1
342	1	42	ARG	H	H	8.72	0.010	1
343	1	42	ARG	HA	H	4.59	0.020	1
344	1	42	ARG	HG2	H	1.67	0.020
345	1	42	ARG	HG3	H	1.67	0.020
346	1	42	ARG	C	C	175.95	0.050	1
347	1	42	ARG	CA	C	53.70	0.050	1
348	1	42	ARG	CB	C	30.31	0.050	1
349	1	42	ARG	CG	C	26.99	0.020	1
350	1	42	ARG	CD	C	43.42	0.020	1
351	1	42	ARG	N	N	127.39	0.030	1
352	1	43	CYS	H	H	8.85	0.010	1
353	1	43	CYS	HA	H	4.66	0.020	1
354	1	43	CYS	C	C	174.74	0.050	1
355	1	43	CYS	CA	C	52.95	0.050	1
356	1	43	CYS	CB	C	35.00	0.050	1
357	1	43	CYS	N	N	123.68	0.030	1
358	1	44	ASP	H	H	9.10	0.010	1
359	1	44	ASP	HA	H	4.67	0.020	1
360	1	44	ASP	C	C	176.53	0.050	1
361	1	44	ASP	CA	C	52.95	0.050	1
362	1	44	ASP	CB	C	42.34	0.050	1
363	1	45	SER	H	H	8.65	0.010	1
364	1	45	SER	HA	H	4.16	0.020	1
365	1	45	SER	HB2	H	3.80	0.020
366	1	45	SER	HB3	H	3.80	0.020
367	1	45	SER	C	C	175.47	0.050	1
368	1	45	SER	CA	C	59.84	0.050	1
369	1	45	SER	CB	C	61.89	0.050	1
370	1	45	SER	N	N	115.25	0.030	1
371	1	46	GLY	H	H	8.68	0.010	1
372	1	46	GLY	HA2	H	3.76	0.020
373	1	46	GLY	HA3	H	3.76	0.020
374	1	46	GLY	C	C	173.43	0.050	1
375	1	46	GLY	CA	C	44.24	0.050	1
376	1	46	GLY	N	N	112.96	0.030	1
377	1	47	GLU	H	H	7.86	0.010	1
378	1	47	GLU	HA	H	4.79	0.020	1
379	1	47	GLU	C	C	175.76	0.050	1
380	1	47	GLU	CA	C	54.05	0.050	1
381	1	47	GLU	CB	C	32.84	0.050	1
382	1	47	GLU	N	N	118.86	0.030	1
383	1	48	VAL	H	H	9.07	0.010	1
384	1	48	VAL	HA	H	4.31	0.020	1
385	1	48	VAL	HB	H	1.87	0.020	1
386	1	48	VAL	HG11	H	0.83	0.010
387	1	48	VAL	HG12	H	0.83	0.010
388	1	48	VAL	HG13	H	0.83	0.010
389	1	48	VAL	HG21	H	0.85	0.010
390	1	48	VAL	HG22	H	0.85	0.010
391	1	48	VAL	HG23	H	0.85	0.010
392	1	48	VAL	C	C	174.55	0.050	1
393	1	48	VAL	CA	C	59.16	0.050	1
394	1	48	VAL	CB	C	34.02	0.050	1
395	1	48	VAL	CG1	C	20.16	0.020
396	1	48	VAL	CG2	C	21.13	0.020
397	1	48	VAL	N	N	117.99	0.030	1
398	1	49	GLU	H	H	8.48	0.010	1
399	1	49	GLU	HA	H	4.56	0.020	1
400	1	49	GLU	C	C	176.02	0.050	1
401	1	49	GLU	CA	C	56.22	0.050	1
402	1	49	GLU	CB	C	29.67	0.050	1
403	1	49	GLU	N	N	125.54	0.030	1
404	1	50	LEU	H	H	8.96	0.010	1
405	1	50	LEU	HA	H	3.68	0.020	1
406	1	50	LEU	HD11	H	0.91	0.010
407	1	50	LEU	HD12	H	0.91	0.010
408	1	50	LEU	HD13	H	0.91	0.010
409	1	50	LEU	HD21	H	0.83	0.010
410	1	50	LEU	HD22	H	0.83	0.010
411	1	50	LEU	HD23	H	0.83	0.010
412	1	50	LEU	C	C	177.65	0.050	1
413	1	50	LEU	CA	C	55.78	0.050	1
414	1	50	LEU	CB	C	41.98	0.050	1
415	1	50	LEU	CD1	C	24.67	0.020
416	1	50	LEU	CD2	C	23.59	0.020
417	1	50	LEU	N	N	131.88	0.030	1
418	1	51	SER	H	H	7.49	0.010	1
419	1	51	SER	C	C	181.29	0.050	1
420	1	51	SER	CA	C	54.84	0.050	1
421	1	51	SER	CB	C	63.43	0.050	1
422	1	51	SER	N	N	112.08	0.030	1
423	1	52	PRO	HA	H	4.52	0.020	1
424	1	52	PRO	C	C	176.32	0.050	1
425	1	52	PRO	CA	C	61.51	0.050	1
426	1	52	PRO	CB	C	32.02	0.050	1
427	1	53	CYS	H	H	8.52	0.010	1
428	1	53	CYS	HA	H	4.08	0.020	1
429	1	53	CYS	C	C	174.31	0.050	1
430	1	53	CYS	CA	C	54.28	0.050	1
431	1	53	CYS	CB	C	43.34	0.050	1
432	1	53	CYS	N	N	122.36	0.030	1
433	1	54	THR	H	H	9.00	0.010	1
434	1	54	THR	HA	H	4.37	0.020	1
435	1	54	THR	HG21	H	1.17	0.020	1
436	1	54	THR	HG22	H	1.17	0.020	1
437	1	54	THR	HG23	H	1.17	0.020	1
438	1	54	THR	C	C	175.65	0.050	1
439	1	54	THR	CA	C	59.24	0.050	1
440	1	54	THR	CB	C	69.94	0.050	1
441	1	54	THR	CG2	C	21.44	0.020	1
442	1	54	THR	N	N	119.52	0.030	1
443	1	55	THR	H	H	7.83	0.010	1
444	1	55	THR	HG21	H	1.23	0.020	1
445	1	55	THR	HG22	H	1.23	0.020	1
446	1	55	THR	HG23	H	1.23	0.020	1
447	1	55	THR	C	C	175.54	0.050	1
448	1	55	THR	CA	C	64.72	0.050	1
449	1	55	THR	CB	C	67.73	0.050	1
450	1	55	THR	CG2	C	23.17	0.020	1
451	1	55	THR	N	N	105.63	0.030	1
452	1	56	THR	H	H	7.54	0.010	1
453	1	56	THR	C	C	174.00	0.050	1
454	1	56	THR	CA	C	59.80	0.050	1
455	1	56	THR	CB	C	69.58	0.050	1
456	1	56	THR	N	N	106.61	0.030	1
457	1	57	ARG	H	H	7.20	0.010	1
458	1	57	ARG	HA	H	4.13	0.020	1
459	1	57	ARG	HG2	H	1.55	0.020
460	1	57	ARG	HG3	H	1.55	0.020
461	1	57	ARG	C	C	172.04	0.050	1
462	1	57	ARG	CA	C	55.60	0.050	1
463	1	57	ARG	CB	C	33.02	0.050	1
464	1	57	ARG	CG	C	26.46	0.020	1
465	1	57	ARG	CD	C	43.77	0.020	1
466	1	57	ARG	N	N	124.22	0.030	1
467	1	58	ASN	H	H	7.51	0.010	1
468	1	58	ASN	HA	H	4.21	0.020	1
469	1	58	ASN	HB2	H	2.33	0.020
470	1	58	ASN	HB3	H	2.33	0.020
471	1	58	ASN	C	C	175.48	0.050	1
472	1	58	ASN	CA	C	51.13	0.050	1
473	1	58	ASN	CB	C	37.46	0.050	1
474	1	58	ASN	N	N	121.38	0.030	1
475	1	59	THR	H	H	8.13	0.010	1
476	1	59	THR	HA	H	3.59	0.020	1
477	1	59	THR	C	C	173.69	0.050	1
478	1	59	THR	CA	C	62.19	0.050	1
479	1	59	THR	CB	C	69.70	0.050	1
480	1	59	THR	N	N	121.60	0.030	1
481	1	60	VAL	H	H	8.21	0.010	1
482	1	60	VAL	HA	H	4.20	0.020	1
483	1	60	VAL	HB	H	1.93	0.020	1
484	1	60	VAL	HG11	H	0.97	0.010
485	1	60	VAL	HG12	H	0.97	0.010
486	1	60	VAL	HG13	H	0.97	0.010
487	1	60	VAL	HG21	H	0.88	0.010
488	1	60	VAL	HG22	H	0.88	0.010
489	1	60	VAL	HG23	H	0.88	0.010
490	1	60	VAL	C	C	175.07	0.050	1
491	1	60	VAL	CA	C	62.23	0.050	1
492	1	60	VAL	CB	C	32.21	0.050	1
493	1	60	VAL	CG1	C	21.95	0.020
494	1	60	VAL	CG2	C	20.83	0.020
495	1	60	VAL	N	N	126.96	0.030	1
496	1	61	CYS	H	H	8.71	0.010	1
497	1	61	CYS	HA	H	5.36	0.020	1
498	1	61	CYS	HB2	H	2.67	0.020
499	1	61	CYS	HB3	H	2.67	0.020
500	1	61	CYS	C	C	173.82	0.050	1
501	1	61	CYS	CA	C	53.16	0.050	1
502	1	61	CYS	CB	C	42.63	0.050	1
503	1	61	CYS	N	N	127.39	0.030	1
504	1	62	GLN	H	H	9.03	0.010	1
505	1	62	GLN	HA	H	4.06	0.020	1
506	1	62	GLN	HG2	H	2.07	0.020
507	1	62	GLN	HG3	H	2.07	0.020
508	1	62	GLN	C	C	174.40	0.050	1
509	1	62	GLN	CA	C	54.05	0.050	1
510	1	62	GLN	CB	C	32.79	0.050	1
511	1	62	GLN	N	N	121.38	0.030	1
512	1	63	CYS	H	H	8.91	0.010	1
513	1	63	CYS	HA	H	4.41	0.020	1
514	1	63	CYS	C	C	174.69	0.050	1
515	1	63	CYS	CA	C	55.87	0.050	1
516	1	63	CYS	CB	C	38.20	0.050	1
517	1	63	CYS	N	N	123.57	0.030	1
518	1	64	GLU	H	H	7.80	0.010	1
519	1	64	GLU	HA	H	4.01	0.020	1
520	1	64	GLU	C	C	175.55	0.050	1
521	1	64	GLU	CA	C	55.87	0.050	1
522	1	64	GLU	CB	C	30.12	0.050	1
523	1	64	GLU	N	N	120.39	0.030	1
524	1	65	GLU	H	H	8.64	0.010	1
525	1	65	GLU	C	C	176.63	0.050	1
526	1	65	GLU	CA	C	57.87	0.050	1
527	1	65	GLU	CB	C	29.04	0.050	1
528	1	65	GLU	N	N	123.57	0.030	1
529	1	66	GLY	H	H	8.55	0.010	1
530	1	66	GLY	HA2	H	3.70	0.020
531	1	66	GLY	HA3	H	3.70	0.020
532	1	66	GLY	C	C	174.27	0.050	1
533	1	66	GLY	CA	C	44.35	0.050	1
534	1	66	GLY	N	N	113.83	0.030	1
535	1	67	THR	H	H	8.33	0.010	1
536	1	67	THR	HG21	H	0.89	0.020	1
537	1	67	THR	HG22	H	0.89	0.020	1
538	1	67	THR	HG23	H	0.89	0.020	1
539	1	67	THR	C	C	181.08	0.050	1
540	1	67	THR	CA	C	59.61	0.050	1
541	1	67	THR	CB	C	72.89	0.050	1
542	1	67	THR	CG2	C	21.77	0.020	1
543	1	67	THR	N	N	114.93	0.030	1
544	1	68	PHE	H	H	9.17	0.010	1
545	1	68	PHE	HA	H	4.97	0.020	1
546	1	68	PHE	HB2	H	3.21	0.020
547	1	68	PHE	HB3	H	3.21	0.020
548	1	68	PHE	C	C	174.15	0.050	1
549	1	68	PHE	CA	C	55.75	0.050	1
550	1	68	PHE	CB	C	44.42	0.050	1
551	1	68	PHE	N	N	115.69	0.030	1
552	1	69	ARG	H	H	7.97	0.010	1
553	1	69	ARG	HA	H	2.71	0.020	1
554	1	69	ARG	HB2	H	1.68	0.020
555	1	69	ARG	HB3	H	1.68	0.020
556	1	69	ARG	C	C	174.62	0.050	1
557	1	69	ARG	CA	C	55.07	0.050	1
558	1	69	ARG	CB	C	32.54	0.050	1
559	1	69	ARG	N	N	120.72	0.030	1
560	1	70	GLU	H	H	8.71	0.010	1
561	1	70	GLU	HB2	H	1.96	0.020
562	1	70	GLU	HB3	H	1.96	0.020
563	1	70	GLU	C	C	177.42	0.050	1
564	1	70	GLU	CA	C	56.06	0.050	1
565	1	70	GLU	CB	C	30.08	0.050	1
566	1	70	GLU	N	N	125.10	0.030	1
567	1	71	GLU	H	H	8.88	0.010	1
568	1	71	GLU	HA	H	4.06	0.020	1
569	1	71	GLU	C	C	177.21	0.050	1
570	1	71	GLU	CA	C	58.33	0.050	1
571	1	71	GLU	CB	C	29.40	0.050	1
572	1	71	GLU	N	N	123.57	0.030	1
573	1	72	ASP	H	H	8.63	0.010	1
574	1	72	ASP	HA	H	4.52	0.020	1
575	1	72	ASP	HB2	H	2.75	0.020
576	1	72	ASP	HB3	H	2.20	0.020
577	1	72	ASP	C	C	175.61	0.050	1
578	1	72	ASP	CA	C	54.73	0.050	1
579	1	72	ASP	CB	C	39.43	0.050	1
580	1	72	ASP	N	N	118.21	0.030	1
581	1	73	SER	H	H	7.72	0.010	1
582	1	73	SER	HA	H	3.88	0.020	1
583	1	73	SER	C	C	174.47	0.050	1
584	1	73	SER	CA	C	55.11	0.050	1
585	1	73	SER	CB	C	64.24	0.050	1
586	1	73	SER	N	N	115.25	0.030	1
587	1	74	PRO	HA	H	4.62	0.020	1
588	1	74	PRO	C	C	176.82	0.050	1
589	1	74	PRO	CA	C	63.15	0.050	1
590	1	74	PRO	CB	C	30.94	0.050	1
591	1	75	GLU	H	H	8.03	0.010	1
592	1	75	GLU	HA	H	4.20	0.020	1
593	1	75	GLU	HB2	H	1.80	0.020
594	1	75	GLU	HB3	H	1.80	0.020
595	1	75	GLU	C	C	175.70	0.050	1
596	1	75	GLU	CA	C	55.94	0.050	1
597	1	75	GLU	CB	C	29.67	0.050	1
598	1	75	GLU	N	N	120.50	0.030	1
599	1	76	MET	H	H	7.97	0.010	1
600	1	76	MET	HA	H	4.38	0.020	1
601	1	76	MET	HB2	H	1.98	0.020
602	1	76	MET	HB3	H	1.98	0.020
603	1	76	MET	HG2	H	2.50	0.020
604	1	76	MET	HG3	H	2.50	0.020
605	1	76	MET	C	C	176.20	0.050	1
606	1	76	MET	CA	C	55.19	0.050	1
607	1	76	MET	CB	C	33.28	0.050	1
608	1	76	MET	N	N	118.10	0.030	1
609	1	77	CYS	H	H	8.44	0.010	1
610	1	77	CYS	HA	H	4.35	0.020	1
611	1	77	CYS	C	C	174.24	0.050	1
612	1	77	CYS	CA	C	56.62	0.050	1
613	1	77	CYS	CB	C	41.80	0.050	1
614	1	77	CYS	N	N	120.29	0.030	1
615	1	78	ARG	H	H	8.67	0.010	1
616	1	78	ARG	HA	H	4.46	0.020	1
617	1	78	ARG	HG2	H	1.40	0.020
618	1	78	ARG	HG3	H	1.40	0.020
619	1	78	ARG	C	C	174.94	0.050	1
620	1	78	ARG	CA	C	53.47	0.050	1
621	1	78	ARG	CB	C	32.21	0.050	1
622	1	78	ARG	CG	C	26.75	0.020	1
623	1	78	ARG	CD	C	43.54	0.020	1
624	1	78	ARG	N	N	124.44	0.030	1
625	1	79	LYS	H	H	8.47	0.010	1
626	1	79	LYS	HA	H	4.20	0.020	1
627	1	79	LYS	HG2	H	1.54	0.020
628	1	79	LYS	HG3	H	1.54	0.020
629	1	79	LYS	C	C	177.96	0.050	1
630	1	79	LYS	CA	C	57.38	0.050	1
631	1	79	LYS	CB	C	32.05	0.050	1
632	1	79	LYS	CG	C	25.23	0.020	1
633	1	79	LYS	CD	C	29.39	0.020	1
634	1	79	LYS	CE	C	42.16	0.020	1
635	1	79	LYS	N	N	121.38	0.030	1
636	1	80	CYS	H	H	8.41	0.010	1
637	1	80	CYS	HA	H	4.39	0.020	1
638	1	80	CYS	C	C	176.51	0.050	1
639	1	80	CYS	CA	C	55.44	0.050	1
640	1	80	CYS	CB	C	43.12	0.050	1
641	1	80	CYS	N	N	122.58	0.030	1
642	1	81	ARG	H	H	10.24	0.010	1
643	1	81	ARG	HA	H	4.31	0.020	1
644	1	81	ARG	HB2	H	1.89	0.020
645	1	81	ARG	HB3	H	1.89	0.020
646	1	81	ARG	C	C	176.74	0.050	1
647	1	81	ARG	CA	C	57.23	0.050	1
648	1	81	ARG	CB	C	30.40	0.050	1
649	1	81	ARG	N	N	126.41	0.030	1
650	1	82	THR	H	H	8.44	0.010	1
651	1	82	THR	HA	H	4.27	0.020	1
652	1	82	THR	HB	H	4.22	0.020	1
653	1	82	THR	HG21	H	1.21	0.020	1
654	1	82	THR	HG22	H	1.21	0.020	1
655	1	82	THR	HG23	H	1.21	0.020	1
656	1	82	THR	C	C	175.06	0.050	1
657	1	82	THR	CA	C	62.04	0.050	1
658	1	82	THR	CB	C	68.59	0.050	1
659	1	82	THR	CG2	C	21.95	0.020	1
660	1	82	THR	N	N	110.77	0.030	1
661	1	83	GLY	H	H	7.32	0.010	1
662	1	83	GLY	HA2	H	3.89	0.020
663	1	83	GLY	HA3	H	3.89	0.020
664	1	83	GLY	C	C	181.78	0.050	1
665	1	83	GLY	CA	C	43.61	0.050	1
666	1	83	GLY	N	N	108.47	0.030	1
667	1	87	GLY	C	C	173.85	0.050	1
668	1	87	GLY	CA	C	44.60	0.050	1
669	1	88	MET	H	H	7.95	0.010	1
670	1	88	MET	HA	H	4.92	0.020	1
671	1	88	MET	C	C	174.50	0.050	1
672	1	88	MET	CA	C	54.37	0.050	1
673	1	88	MET	CB	C	35.74	0.050	1
674	1	88	MET	N	N	118.54	0.030	1
675	1	89	VAL	H	H	9.13	0.010	1
676	1	89	VAL	HA	H	4.37	0.020	1
677	1	89	VAL	HB	H	1.88	0.020	1
678	1	89	VAL	HG11	H	0.81	0.010
679	1	89	VAL	HG12	H	0.81	0.010
680	1	89	VAL	HG13	H	0.81	0.010
681	1	89	VAL	HG21	H	0.81	0.010
682	1	89	VAL	HG22	H	0.81	0.010
683	1	89	VAL	HG23	H	0.81	0.010
684	1	89	VAL	C	C	174.20	0.050	1
685	1	89	VAL	CA	C	59.65	0.050	1
686	1	89	VAL	CB	C	34.27	0.050	1
687	1	89	VAL	CG1	C	20.48	0.020
688	1	89	VAL	CG2	C	21.27	0.020
689	1	89	VAL	N	N	118.86	0.030	1
690	1	90	LYS	H	H	8.39	0.010	1
691	1	90	LYS	HA	H	4.45	0.020	1
692	1	90	LYS	HG2	H	1.28	0.020
693	1	90	LYS	HG3	H	1.28	0.020
694	1	90	LYS	C	C	177.06	0.050	1
695	1	90	LYS	CA	C	56.49	0.050	1
696	1	90	LYS	CB	C	32.21	0.050	1
697	1	90	LYS	CG	C	25.04	0.020	1
698	1	90	LYS	CD	C	29.31	0.020	1
699	1	90	LYS	CE	C	42.13	0.020	1
700	1	90	LYS	N	N	127.29	0.030	1
701	1	91	VAL	H	H	8.85	0.010	1
702	1	91	VAL	HA	H	4.47	0.020	1
703	1	91	VAL	HB	H	2.20	0.020	1
704	1	91	VAL	HG11	H	0.71	0.010
705	1	91	VAL	HG12	H	0.71	0.010
706	1	91	VAL	HG13	H	0.71	0.010
707	1	91	VAL	HG21	H	0.83	0.010
708	1	91	VAL	HG22	H	0.83	0.010
709	1	91	VAL	HG23	H	0.83	0.010
710	1	91	VAL	C	C	175.37	0.050	1
711	1	91	VAL	CA	C	60.49	0.050	1
712	1	91	VAL	CB	C	32.84	0.050	1
713	1	91	VAL	CG1	C	19.78	0.020
714	1	91	VAL	CG2	C	21.77	0.020
715	1	91	VAL	N	N	122.25	0.030	1
716	1	92	GLY	H	H	7.56	0.010	1
717	1	92	GLY	HA2	H	4.21	0.020
718	1	92	GLY	HA3	H	3.90	0.020
719	1	92	GLY	C	C	172.39	0.050	1
720	1	92	GLY	CA	C	44.51	0.050	1
721	1	92	GLY	N	N	110.88	0.030	1
722	1	93	ASP	H	H	8.19	0.010	1
723	1	93	ASP	HA	H	4.70	0.020	1
724	1	93	ASP	HB2	H	2.62	0.020
725	1	93	ASP	HB3	H	2.29	0.020
726	1	93	ASP	C	C	174.90	0.050	1
727	1	93	ASP	CA	C	53.37	0.050	1
728	1	93	ASP	CB	C	42.52	0.050	1
729	1	93	ASP	N	N	121.27	0.030	1
730	1	94	CYS	H	H	8.47	0.010	1
731	1	94	CYS	HA	H	4.50	0.020	1
732	1	94	CYS	HB2	H	2.89	0.020
733	1	94	CYS	HB3	H	2.89	0.020
734	1	94	CYS	C	C	174.38	0.050	1
735	1	94	CYS	CA	C	55.04	0.050	1
736	1	94	CYS	CB	C	39.92	0.050	1
737	1	94	CYS	N	N	119.74	0.030	1
738	1	95	THR	H	H	9.38	0.010	1
739	1	95	THR	HG21	H	1.10	0.020	1
740	1	95	THR	HG22	H	1.10	0.020	1
741	1	95	THR	HG23	H	1.10	0.020	1
742	1	95	THR	C	C	172.39	0.050	1
743	1	95	THR	CA	C	59.61	0.050	1
744	1	95	THR	CB	C	69.40	0.050	1
745	1	95	THR	CG2	C	20.83	0.020	1
746	1	95	THR	N	N	125.32	0.030	1
747	1	96	PRO	HA	H	4.63	0.020	1
748	1	96	PRO	HB2	H	2.19	0.020
749	1	96	PRO	HB3	H	2.19	0.020
750	1	96	PRO	C	C	177.14	0.050	1
751	1	96	PRO	CA	C	64.19	0.050	1
752	1	96	PRO	CB	C	30.49	0.050	1
753	1	97	TRP	H	H	7.47	0.010	1
754	1	97	TRP	HA	H	3.66	0.020	1
755	1	97	TRP	HB2	H	3.06	0.020
756	1	97	TRP	HB3	H	3.06	0.020
757	1	97	TRP	HE1	H	10.16	0.020	1
758	1	97	TRP	C	C	175.11	0.050	1
759	1	97	TRP	CA	C	55.49	0.050	1
760	1	97	TRP	CB	C	29.94	0.050	1
761	1	97	TRP	N	N	115.36	0.030	1
762	1	97	TRP	NE1	N	130.15	0.030	1
763	1	98	SER	H	H	7.65	0.010	1
764	1	98	SER	HA	H	4.33	0.020	1
765	1	98	SER	HB2	H	3.72	0.020
766	1	98	SER	HB3	H	3.72	0.020
767	1	98	SER	C	C	180.21	0.050	1
768	1	98	SER	CA	C	57.34	0.050	1
769	1	98	SER	CB	C	64.69	0.050	1
770	1	98	SER	N	N	116.89	0.030	1
771	1	99	ASP	H	H	7.31	0.010	1
772	1	99	ASP	HA	H	4.56	0.020	1
773	1	99	ASP	C	C	178.09	0.050	1
774	1	99	ASP	CA	C	51.67	0.050	1
775	1	99	ASP	CB	C	40.89	0.050	1
776	1	99	ASP	N	N	121.82	0.030	1
777	1	100	ILE	H	H	8.52	0.010	1
778	1	100	ILE	HA	H	3.75	0.020	1
779	1	100	ILE	HG21	H	0.90	0.020	1
780	1	100	ILE	HG22	H	0.90	0.020	1
781	1	100	ILE	HG23	H	0.90	0.020	1
782	1	100	ILE	HD11	H	0.45	0.020	1
783	1	100	ILE	HD12	H	0.45	0.020	1
784	1	100	ILE	HD13	H	0.45	0.020	1
785	1	100	ILE	C	C	174.17	0.050	1
786	1	100	ILE	CA	C	62.02	0.050	1
787	1	100	ILE	CB	C	37.71	0.050	1
788	1	100	ILE	CG2	C	18.81	0.020	1
789	1	100	ILE	CD1	C	14.62	0.020	1
790	1	100	ILE	N	N	115.47	0.030	1
791	1	101	GLU	H	H	7.68	0.010	1
792	1	101	GLU	HA	H	4.50	0.020	1
793	1	101	GLU	C	C	175.38	0.050	1
794	1	101	GLU	CA	C	54.24	0.050	1
795	1	101	GLU	CB	C	31.48	0.050	1
796	1	101	GLU	N	N	122.80	0.030	1
797	1	102	CYS	H	H	8.50	0.010	1
798	1	102	CYS	HA	H	4.79	0.020	1
799	1	102	CYS	C	C	173.88	0.050	1
800	1	102	CYS	CA	C	53.37	0.050	1
801	1	102	CYS	CB	C	44.24	0.050	1
802	1	102	CYS	N	N	124.55	0.030	1
803	1	103	VAL	H	H	8.99	0.010	1
804	1	103	VAL	HB	H	2.20	0.020	1
805	1	103	VAL	HG11	H	0.77	0.010
806	1	103	VAL	HG12	H	0.77	0.010
807	1	103	VAL	HG13	H	0.77	0.010
808	1	103	VAL	HG21	H	0.85	0.010
809	1	103	VAL	HG22	H	0.85	0.010
810	1	103	VAL	HG23	H	0.85	0.010
811	1	103	VAL	C	C	175.19	0.050	1
812	1	103	VAL	CA	C	58.93	0.050	1
813	1	103	VAL	CB	C	35.28	0.050	1
814	1	103	VAL	CG1	C	19.72	0.020
815	1	103	VAL	CG2	C	21.56	0.020
816	1	103	VAL	N	N	118.10	0.030	1
817	1	104	HIS	H	H	8.63	0.010	1
818	1	104	HIS	C	C	176.16	0.050	1
819	1	104	HIS	CA	C	57.87	0.050	1
820	1	104	HIS	CB	C	30.58	0.050	1
821	1	104	HIS	N	N	122.80	0.030	1
822	1	105	LYS	H	H	8.30	0.010	1
823	1	105	LYS	C	C	176.38	0.050	1
824	1	105	LYS	CA	C	57.08	0.050	1
825	1	105	LYS	CB	C	32.66	0.050	1
826	1	105	LYS	N	N	124.11	0.030	1
827	1	106	GLU	H	H	8.75	0.010	1
828	1	106	GLU	C	C	176.27	0.050	1
829	1	106	GLU	CA	C	56.42	0.050	1
830	1	106	GLU	CB	C	29.49	0.050	1
831	1	106	GLU	N	N	121.93	0.030	1

Release date

2022-08-12

Citation

Autoinhibitory structure of preligand association state implicates a new strategy to attain effective DR5 receptor activation
Du, G., Zhao, L., Zheng, Y., Belfetmi, A., Cai, T., Xu, B., Heyninck, K., Van Den Heede, K., Buyse, M.A., Fontana, P., Bowman, M., Lin, L.L., Wu, H., Chou, J.J.
Cell Res. (2023), 33, 131-146, PubMed 36604598 , DOI 10.1038/s41422-022-00755-2 , Abstract

Related entities 1. Tumor necrosis factor receptor superfamily member 10B, : 1 : 2 : 10 : 45 entities Detail

Interaction partners 1. Tumor necrosis factor receptor superfamily member 10B, : 14 interactors Detail

More details for 14 interactors identified by 8 citations

Experiments performed 15 experiments Detail

1 2D 1H-15N TROSY-HSQC

Instrument

#1 Model Bruker AVANCE (600 MHz) Details cryoprobe

#2 Model Bruker AVANCE NEO (700 MHz) Details cryoprobe

#3 Model Bruker AVANCE (800 MHz) Details cryoprobe

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 (±0.005) atm, Temperature 310 (±1) K, pH 7.2 (±0.1), Details 400 uM [U-100% 15N, U-100% 13C, U-85% 2H] DR5 ectodomain, 4.4 mM DGS-NTA (Ni), 44 mM DMPC, 88 mM D7PC, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	DR5 ectodomain	[U-100% 15N, U-100% 13C, U-85% 2H]	400 uM
2	DGS-NTA (Ni)	natural abundance	4.4 mM
3	DMPC	natural abundance	44 mM
4	D7PC	natural abundance	88 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 (±0.005) atm, Temperature 310 (±1) K, pH 7.2 (±0.1), Details 500 uM [U-100% 15N; U-100% 2H] DR5 ectodomain, 5.5 mM DGS-NTA (Ni), 55 mM DMPC, 110 mM D7PC, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
5	DR5 ectodomain	[U-100% 15N; U-100% 2H]	500 uM
6	DGS-NTA (Ni)	natural abundance	5.5 mM
7	DMPC	natural abundance	55 mM
8	D7PC	natural abundance	110 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 (±0.005) atm, Temperature 310 (±1) K, pH 7.2 (±0.1), Details 250 uM [U-100% 15N; U-100% 2H] Isotopically mixed DR5 ectodomain, 250 uM [U-100% 13C] DR5 ectodomain, 5.5 mM DGS-NTA (Ni), 55 mM DMPC, 110 mM D7PC, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
9	DR5 ectodomain	[U-100% 13C]	250 uM
10	DGS-NTA (Ni)	natural abundance	5.5 mM
11	DMPC	natural abundance	55 mM
12	D7PC	natural abundance	110 mM
13	Isotopically mixed DR5 ectodomain	[U-100% 15N; U-100% 2H]	250 uM

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 (±0.005) atm, Temperature 310 (±1) K, pH 7.2 (±0.1), Details 250 uM [U-100% 13C; U-100% 15N; U-95% 2H] Isotopically mixed DR5 ectodomain, 250 uM DR5 ectodomain, 5.5 mM DGS-NTA (Ni), 55 mM DMPC, 110 mM D7PC, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
14	DR5 ectodomain	natural abundance	250 uM
15	DGS-NTA (Ni)	natural abundance	5.5 mM
16	DMPC	natural abundance	55 mM
17	D7PC	natural abundance	110 mM
18	Isotopically mixed DR5 ectodomain	[U-100% 13C; U-100% 15N; U-95% 2H]	250 uM

Sample #5

Solvent system 95% H2O/5% D2O, Pressure 1 (±0.005) atm, Temperature 310 (±1) K, pH 7.2 (±0.1), Details 500 uM [U-100% 13C; U-100% 15N] DR5 ectodomain, 5.5 mM DGS-NTA (Ni), 55 mM DMPC, 110 mM D7PC, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
19	DR5 ectodomain	[U-100% 13C; U-100% 15N]	500 uM
20	DGS-NTA (Ni)	natural abundance	5.5 mM
21	DMPC	natural abundance	55 mM
22	D7PC	natural abundance	110 mM

Sample #6

Solvent system 95% H2O/5% D2O, Pressure 1 (±0.005) atm, Temperature 310 (±1) K, pH 7.2 (±0.1), Details 400 uM [U-100% 15N, U-85% 2H] DR5 ectodomain, 4.4 mM DGS-NTA (Ni), 44 mM DMPC, 88 mM D7PC, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
23	DR5 ectodomain	[U-100% 15N, U-85% 2H]	400 uM
24	DGS-NTA (Ni)	natural abundance	4.4 mM
25	DMPC	natural abundance	44 mM
26	D7PC	natural abundance	88 mM

2 3D HNCA

Instrument

#1 Model Bruker AVANCE (600 MHz) Details cryoprobe

#2 Model Bruker AVANCE NEO (700 MHz) Details cryoprobe

#3 Model Bruker AVANCE (800 MHz) Details cryoprobe

Sample #1

#	Name	Isotope labeling	Concentration
1	DR5 ectodomain	[U-100% 15N, U-100% 13C, U-85% 2H]	400 uM
2	DGS-NTA (Ni)	natural abundance	4.4 mM
3	DMPC	natural abundance	44 mM
4	D7PC	natural abundance	88 mM

Sample #2

#	Name	Isotope labeling	Concentration
5	DR5 ectodomain	[U-100% 15N; U-100% 2H]	500 uM
6	DGS-NTA (Ni)	natural abundance	5.5 mM
7	DMPC	natural abundance	55 mM
8	D7PC	natural abundance	110 mM

Sample #3

#	Name	Isotope labeling	Concentration
9	DR5 ectodomain	[U-100% 13C]	250 uM
10	DGS-NTA (Ni)	natural abundance	5.5 mM
11	DMPC	natural abundance	55 mM
12	D7PC	natural abundance	110 mM
13	Isotopically mixed DR5 ectodomain	[U-100% 15N; U-100% 2H]	250 uM

Sample #4

#	Name	Isotope labeling	Concentration
14	DR5 ectodomain	natural abundance	250 uM
15	DGS-NTA (Ni)	natural abundance	5.5 mM
16	DMPC	natural abundance	55 mM
17	D7PC	natural abundance	110 mM
18	Isotopically mixed DR5 ectodomain	[U-100% 13C; U-100% 15N; U-95% 2H]	250 uM

Sample #5

#	Name	Isotope labeling	Concentration
19	DR5 ectodomain	[U-100% 13C; U-100% 15N]	500 uM
20	DGS-NTA (Ni)	natural abundance	5.5 mM
21	DMPC	natural abundance	55 mM
22	D7PC	natural abundance	110 mM

Sample #6

#	Name	Isotope labeling	Concentration
23	DR5 ectodomain	[U-100% 15N, U-85% 2H]	400 uM
24	DGS-NTA (Ni)	natural abundance	4.4 mM
25	DMPC	natural abundance	44 mM
26	D7PC	natural abundance	88 mM

3 3D HN(CO)CA

Instrument

#1 Model Bruker AVANCE (600 MHz) Details cryoprobe

#2 Model Bruker AVANCE NEO (700 MHz) Details cryoprobe

#3 Model Bruker AVANCE (800 MHz) Details cryoprobe

Sample #1

#	Name	Isotope labeling	Concentration
1	DR5 ectodomain	[U-100% 15N, U-100% 13C, U-85% 2H]	400 uM
2	DGS-NTA (Ni)	natural abundance	4.4 mM
3	DMPC	natural abundance	44 mM
4	D7PC	natural abundance	88 mM

Sample #2

#	Name	Isotope labeling	Concentration
5	DR5 ectodomain	[U-100% 15N; U-100% 2H]	500 uM
6	DGS-NTA (Ni)	natural abundance	5.5 mM
7	DMPC	natural abundance	55 mM
8	D7PC	natural abundance	110 mM

Sample #3

#	Name	Isotope labeling	Concentration
9	DR5 ectodomain	[U-100% 13C]	250 uM
10	DGS-NTA (Ni)	natural abundance	5.5 mM
11	DMPC	natural abundance	55 mM
12	D7PC	natural abundance	110 mM
13	Isotopically mixed DR5 ectodomain	[U-100% 15N; U-100% 2H]	250 uM

Sample #4

#	Name	Isotope labeling	Concentration
14	DR5 ectodomain	natural abundance	250 uM
15	DGS-NTA (Ni)	natural abundance	5.5 mM
16	DMPC	natural abundance	55 mM
17	D7PC	natural abundance	110 mM
18	Isotopically mixed DR5 ectodomain	[U-100% 13C; U-100% 15N; U-95% 2H]	250 uM

Sample #5

#	Name	Isotope labeling	Concentration
19	DR5 ectodomain	[U-100% 13C; U-100% 15N]	500 uM
20	DGS-NTA (Ni)	natural abundance	5.5 mM
21	DMPC	natural abundance	55 mM
22	D7PC	natural abundance	110 mM

Sample #6

#	Name	Isotope labeling	Concentration
23	DR5 ectodomain	[U-100% 15N, U-85% 2H]	400 uM
24	DGS-NTA (Ni)	natural abundance	4.4 mM
25	DMPC	natural abundance	44 mM
26	D7PC	natural abundance	88 mM

4 3D HN(CA)CO

Instrument

#1 Model Bruker AVANCE (600 MHz) Details cryoprobe

#2 Model Bruker AVANCE NEO (700 MHz) Details cryoprobe

#3 Model Bruker AVANCE (800 MHz) Details cryoprobe

Sample #1

#	Name	Isotope labeling	Concentration
1	DR5 ectodomain	[U-100% 15N, U-100% 13C, U-85% 2H]	400 uM
2	DGS-NTA (Ni)	natural abundance	4.4 mM
3	DMPC	natural abundance	44 mM
4	D7PC	natural abundance	88 mM

Sample #2

#	Name	Isotope labeling	Concentration
5	DR5 ectodomain	[U-100% 15N; U-100% 2H]	500 uM
6	DGS-NTA (Ni)	natural abundance	5.5 mM
7	DMPC	natural abundance	55 mM
8	D7PC	natural abundance	110 mM

Sample #3

#	Name	Isotope labeling	Concentration
9	DR5 ectodomain	[U-100% 13C]	250 uM
10	DGS-NTA (Ni)	natural abundance	5.5 mM
11	DMPC	natural abundance	55 mM
12	D7PC	natural abundance	110 mM
13	Isotopically mixed DR5 ectodomain	[U-100% 15N; U-100% 2H]	250 uM

Sample #4

#	Name	Isotope labeling	Concentration
14	DR5 ectodomain	natural abundance	250 uM
15	DGS-NTA (Ni)	natural abundance	5.5 mM
16	DMPC	natural abundance	55 mM
17	D7PC	natural abundance	110 mM
18	Isotopically mixed DR5 ectodomain	[U-100% 13C; U-100% 15N; U-95% 2H]	250 uM

Sample #5

#	Name	Isotope labeling	Concentration
19	DR5 ectodomain	[U-100% 13C; U-100% 15N]	500 uM
20	DGS-NTA (Ni)	natural abundance	5.5 mM
21	DMPC	natural abundance	55 mM
22	D7PC	natural abundance	110 mM

Sample #6

#	Name	Isotope labeling	Concentration
23	DR5 ectodomain	[U-100% 15N, U-85% 2H]	400 uM
24	DGS-NTA (Ni)	natural abundance	4.4 mM
25	DMPC	natural abundance	44 mM
26	D7PC	natural abundance	88 mM

5 3D HNCO

Instrument

#1 Model Bruker AVANCE (600 MHz) Details cryoprobe

#2 Model Bruker AVANCE NEO (700 MHz) Details cryoprobe

#3 Model Bruker AVANCE (800 MHz) Details cryoprobe

Sample #1

#	Name	Isotope labeling	Concentration
1	DR5 ectodomain	[U-100% 15N, U-100% 13C, U-85% 2H]	400 uM
2	DGS-NTA (Ni)	natural abundance	4.4 mM
3	DMPC	natural abundance	44 mM
4	D7PC	natural abundance	88 mM

Sample #2

#	Name	Isotope labeling	Concentration
5	DR5 ectodomain	[U-100% 15N; U-100% 2H]	500 uM
6	DGS-NTA (Ni)	natural abundance	5.5 mM
7	DMPC	natural abundance	55 mM
8	D7PC	natural abundance	110 mM

Sample #3

#	Name	Isotope labeling	Concentration
9	DR5 ectodomain	[U-100% 13C]	250 uM
10	DGS-NTA (Ni)	natural abundance	5.5 mM
11	DMPC	natural abundance	55 mM
12	D7PC	natural abundance	110 mM
13	Isotopically mixed DR5 ectodomain	[U-100% 15N; U-100% 2H]	250 uM

Sample #4

#	Name	Isotope labeling	Concentration
14	DR5 ectodomain	natural abundance	250 uM
15	DGS-NTA (Ni)	natural abundance	5.5 mM
16	DMPC	natural abundance	55 mM
17	D7PC	natural abundance	110 mM
18	Isotopically mixed DR5 ectodomain	[U-100% 13C; U-100% 15N; U-95% 2H]	250 uM

Sample #5

#	Name	Isotope labeling	Concentration
19	DR5 ectodomain	[U-100% 13C; U-100% 15N]	500 uM
20	DGS-NTA (Ni)	natural abundance	5.5 mM
21	DMPC	natural abundance	55 mM
22	D7PC	natural abundance	110 mM

Sample #6

#	Name	Isotope labeling	Concentration
23	DR5 ectodomain	[U-100% 15N, U-85% 2H]	400 uM
24	DGS-NTA (Ni)	natural abundance	4.4 mM
25	DMPC	natural abundance	44 mM
26	D7PC	natural abundance	88 mM

6 3D HNCACB

Instrument

#1 Model Bruker AVANCE (600 MHz) Details cryoprobe

#2 Model Bruker AVANCE NEO (700 MHz) Details cryoprobe

#3 Model Bruker AVANCE (800 MHz) Details cryoprobe

Sample #1

#	Name	Isotope labeling	Concentration
1	DR5 ectodomain	[U-100% 15N, U-100% 13C, U-85% 2H]	400 uM
2	DGS-NTA (Ni)	natural abundance	4.4 mM
3	DMPC	natural abundance	44 mM
4	D7PC	natural abundance	88 mM

Sample #2

#	Name	Isotope labeling	Concentration
5	DR5 ectodomain	[U-100% 15N; U-100% 2H]	500 uM
6	DGS-NTA (Ni)	natural abundance	5.5 mM
7	DMPC	natural abundance	55 mM
8	D7PC	natural abundance	110 mM

Sample #3

#	Name	Isotope labeling	Concentration
9	DR5 ectodomain	[U-100% 13C]	250 uM
10	DGS-NTA (Ni)	natural abundance	5.5 mM
11	DMPC	natural abundance	55 mM
12	D7PC	natural abundance	110 mM
13	Isotopically mixed DR5 ectodomain	[U-100% 15N; U-100% 2H]	250 uM

Sample #4

#	Name	Isotope labeling	Concentration
14	DR5 ectodomain	natural abundance	250 uM
15	DGS-NTA (Ni)	natural abundance	5.5 mM
16	DMPC	natural abundance	55 mM
17	D7PC	natural abundance	110 mM
18	Isotopically mixed DR5 ectodomain	[U-100% 13C; U-100% 15N; U-95% 2H]	250 uM

Sample #5

#	Name	Isotope labeling	Concentration
19	DR5 ectodomain	[U-100% 13C; U-100% 15N]	500 uM
20	DGS-NTA (Ni)	natural abundance	5.5 mM
21	DMPC	natural abundance	55 mM
22	D7PC	natural abundance	110 mM

Sample #6

#	Name	Isotope labeling	Concentration
23	DR5 ectodomain	[U-100% 15N, U-85% 2H]	400 uM
24	DGS-NTA (Ni)	natural abundance	4.4 mM
25	DMPC	natural abundance	44 mM
26	D7PC	natural abundance	88 mM

7 3D 1H-15N NOESY-TROSY

Instrument

#1 Model Bruker AVANCE (600 MHz) Details cryoprobe

#2 Model Bruker AVANCE NEO (700 MHz) Details cryoprobe

#3 Model Bruker AVANCE (800 MHz) Details cryoprobe

Sample #1

#	Name	Isotope labeling	Concentration
1	DR5 ectodomain	[U-100% 15N, U-100% 13C, U-85% 2H]	400 uM
2	DGS-NTA (Ni)	natural abundance	4.4 mM
3	DMPC	natural abundance	44 mM
4	D7PC	natural abundance	88 mM

Sample #2

#	Name	Isotope labeling	Concentration
5	DR5 ectodomain	[U-100% 15N; U-100% 2H]	500 uM
6	DGS-NTA (Ni)	natural abundance	5.5 mM
7	DMPC	natural abundance	55 mM
8	D7PC	natural abundance	110 mM

Sample #3

#	Name	Isotope labeling	Concentration
9	DR5 ectodomain	[U-100% 13C]	250 uM
10	DGS-NTA (Ni)	natural abundance	5.5 mM
11	DMPC	natural abundance	55 mM
12	D7PC	natural abundance	110 mM
13	Isotopically mixed DR5 ectodomain	[U-100% 15N; U-100% 2H]	250 uM

Sample #4

#	Name	Isotope labeling	Concentration
14	DR5 ectodomain	natural abundance	250 uM
15	DGS-NTA (Ni)	natural abundance	5.5 mM
16	DMPC	natural abundance	55 mM
17	D7PC	natural abundance	110 mM
18	Isotopically mixed DR5 ectodomain	[U-100% 13C; U-100% 15N; U-95% 2H]	250 uM

Sample #5

#	Name	Isotope labeling	Concentration
19	DR5 ectodomain	[U-100% 13C; U-100% 15N]	500 uM
20	DGS-NTA (Ni)	natural abundance	5.5 mM
21	DMPC	natural abundance	55 mM
22	D7PC	natural abundance	110 mM

Sample #6

#	Name	Isotope labeling	Concentration
23	DR5 ectodomain	[U-100% 15N, U-85% 2H]	400 uM
24	DGS-NTA (Ni)	natural abundance	4.4 mM
25	DMPC	natural abundance	44 mM
26	D7PC	natural abundance	88 mM

8 3D HN(COCA)CB

Instrument

#1 Model Bruker AVANCE (600 MHz) Details cryoprobe

#2 Model Bruker AVANCE NEO (700 MHz) Details cryoprobe

#3 Model Bruker AVANCE (800 MHz) Details cryoprobe

Sample #1

#	Name	Isotope labeling	Concentration
1	DR5 ectodomain	[U-100% 15N, U-100% 13C, U-85% 2H]	400 uM
2	DGS-NTA (Ni)	natural abundance	4.4 mM
3	DMPC	natural abundance	44 mM
4	D7PC	natural abundance	88 mM

Sample #2

#	Name	Isotope labeling	Concentration
5	DR5 ectodomain	[U-100% 15N; U-100% 2H]	500 uM
6	DGS-NTA (Ni)	natural abundance	5.5 mM
7	DMPC	natural abundance	55 mM
8	D7PC	natural abundance	110 mM

Sample #3

#	Name	Isotope labeling	Concentration
9	DR5 ectodomain	[U-100% 13C]	250 uM
10	DGS-NTA (Ni)	natural abundance	5.5 mM
11	DMPC	natural abundance	55 mM
12	D7PC	natural abundance	110 mM
13	Isotopically mixed DR5 ectodomain	[U-100% 15N; U-100% 2H]	250 uM

Sample #4

#	Name	Isotope labeling	Concentration
14	DR5 ectodomain	natural abundance	250 uM
15	DGS-NTA (Ni)	natural abundance	5.5 mM
16	DMPC	natural abundance	55 mM
17	D7PC	natural abundance	110 mM
18	Isotopically mixed DR5 ectodomain	[U-100% 13C; U-100% 15N; U-95% 2H]	250 uM

Sample #5

#	Name	Isotope labeling	Concentration
19	DR5 ectodomain	[U-100% 13C; U-100% 15N]	500 uM
20	DGS-NTA (Ni)	natural abundance	5.5 mM
21	DMPC	natural abundance	55 mM
22	D7PC	natural abundance	110 mM

Sample #6

#	Name	Isotope labeling	Concentration
23	DR5 ectodomain	[U-100% 15N, U-85% 2H]	400 uM
24	DGS-NTA (Ni)	natural abundance	4.4 mM
25	DMPC	natural abundance	44 mM
26	D7PC	natural abundance	88 mM

9 3D 1H-15N NOESY-TROSY

Instrument

#1 Model Bruker AVANCE (600 MHz) Details cryoprobe

#2 Model Bruker AVANCE NEO (700 MHz) Details cryoprobe

#3 Model Bruker AVANCE (800 MHz) Details cryoprobe

Sample #1

#	Name	Isotope labeling	Concentration
1	DR5 ectodomain	[U-100% 15N, U-100% 13C, U-85% 2H]	400 uM
2	DGS-NTA (Ni)	natural abundance	4.4 mM
3	DMPC	natural abundance	44 mM
4	D7PC	natural abundance	88 mM

Sample #2

#	Name	Isotope labeling	Concentration
5	DR5 ectodomain	[U-100% 15N; U-100% 2H]	500 uM
6	DGS-NTA (Ni)	natural abundance	5.5 mM
7	DMPC	natural abundance	55 mM
8	D7PC	natural abundance	110 mM

Sample #3

#	Name	Isotope labeling	Concentration
9	DR5 ectodomain	[U-100% 13C]	250 uM
10	DGS-NTA (Ni)	natural abundance	5.5 mM
11	DMPC	natural abundance	55 mM
12	D7PC	natural abundance	110 mM
13	Isotopically mixed DR5 ectodomain	[U-100% 15N; U-100% 2H]	250 uM

Sample #4

#	Name	Isotope labeling	Concentration
14	DR5 ectodomain	natural abundance	250 uM
15	DGS-NTA (Ni)	natural abundance	5.5 mM
16	DMPC	natural abundance	55 mM
17	D7PC	natural abundance	110 mM
18	Isotopically mixed DR5 ectodomain	[U-100% 13C; U-100% 15N; U-95% 2H]	250 uM

Sample #5

#	Name	Isotope labeling	Concentration
19	DR5 ectodomain	[U-100% 13C; U-100% 15N]	500 uM
20	DGS-NTA (Ni)	natural abundance	5.5 mM
21	DMPC	natural abundance	55 mM
22	D7PC	natural abundance	110 mM

Sample #6

#	Name	Isotope labeling	Concentration
23	DR5 ectodomain	[U-100% 15N, U-85% 2H]	400 uM
24	DGS-NTA (Ni)	natural abundance	4.4 mM
25	DMPC	natural abundance	44 mM
26	D7PC	natural abundance	88 mM

10 3D 1H-15N NOESY-TROSY

Instrument

#1 Model Bruker AVANCE (600 MHz) Details cryoprobe

#2 Model Bruker AVANCE NEO (700 MHz) Details cryoprobe

#3 Model Bruker AVANCE (800 MHz) Details cryoprobe

Sample #1

#	Name	Isotope labeling	Concentration
1	DR5 ectodomain	[U-100% 15N, U-100% 13C, U-85% 2H]	400 uM
2	DGS-NTA (Ni)	natural abundance	4.4 mM
3	DMPC	natural abundance	44 mM
4	D7PC	natural abundance	88 mM

Sample #2

#	Name	Isotope labeling	Concentration
5	DR5 ectodomain	[U-100% 15N; U-100% 2H]	500 uM
6	DGS-NTA (Ni)	natural abundance	5.5 mM
7	DMPC	natural abundance	55 mM
8	D7PC	natural abundance	110 mM

Sample #3

#	Name	Isotope labeling	Concentration
9	DR5 ectodomain	[U-100% 13C]	250 uM
10	DGS-NTA (Ni)	natural abundance	5.5 mM
11	DMPC	natural abundance	55 mM
12	D7PC	natural abundance	110 mM
13	Isotopically mixed DR5 ectodomain	[U-100% 15N; U-100% 2H]	250 uM

Sample #4

#	Name	Isotope labeling	Concentration
14	DR5 ectodomain	natural abundance	250 uM
15	DGS-NTA (Ni)	natural abundance	5.5 mM
16	DMPC	natural abundance	55 mM
17	D7PC	natural abundance	110 mM
18	Isotopically mixed DR5 ectodomain	[U-100% 13C; U-100% 15N; U-95% 2H]	250 uM

Sample #5

#	Name	Isotope labeling	Concentration
19	DR5 ectodomain	[U-100% 13C; U-100% 15N]	500 uM
20	DGS-NTA (Ni)	natural abundance	5.5 mM
21	DMPC	natural abundance	55 mM
22	D7PC	natural abundance	110 mM

Sample #6

#	Name	Isotope labeling	Concentration
23	DR5 ectodomain	[U-100% 15N, U-85% 2H]	400 uM
24	DGS-NTA (Ni)	natural abundance	4.4 mM
25	DMPC	natural abundance	44 mM
26	D7PC	natural abundance	88 mM

11 13C-filtered 1H-15N NOESY-TROSY

Instrument

#1 Model Bruker AVANCE (600 MHz) Details cryoprobe

#2 Model Bruker AVANCE NEO (700 MHz) Details cryoprobe

#3 Model Bruker AVANCE (800 MHz) Details cryoprobe

Sample #1

#	Name	Isotope labeling	Concentration
1	DR5 ectodomain	[U-100% 15N, U-100% 13C, U-85% 2H]	400 uM
2	DGS-NTA (Ni)	natural abundance	4.4 mM
3	DMPC	natural abundance	44 mM
4	D7PC	natural abundance	88 mM

Sample #2

#	Name	Isotope labeling	Concentration
5	DR5 ectodomain	[U-100% 15N; U-100% 2H]	500 uM
6	DGS-NTA (Ni)	natural abundance	5.5 mM
7	DMPC	natural abundance	55 mM
8	D7PC	natural abundance	110 mM

Sample #3

#	Name	Isotope labeling	Concentration
9	DR5 ectodomain	[U-100% 13C]	250 uM
10	DGS-NTA (Ni)	natural abundance	5.5 mM
11	DMPC	natural abundance	55 mM
12	D7PC	natural abundance	110 mM
13	Isotopically mixed DR5 ectodomain	[U-100% 15N; U-100% 2H]	250 uM

Sample #4

#	Name	Isotope labeling	Concentration
14	DR5 ectodomain	natural abundance	250 uM
15	DGS-NTA (Ni)	natural abundance	5.5 mM
16	DMPC	natural abundance	55 mM
17	D7PC	natural abundance	110 mM
18	Isotopically mixed DR5 ectodomain	[U-100% 13C; U-100% 15N; U-95% 2H]	250 uM

Sample #5

#	Name	Isotope labeling	Concentration
19	DR5 ectodomain	[U-100% 13C; U-100% 15N]	500 uM
20	DGS-NTA (Ni)	natural abundance	5.5 mM
21	DMPC	natural abundance	55 mM
22	D7PC	natural abundance	110 mM

Sample #6

#	Name	Isotope labeling	Concentration
23	DR5 ectodomain	[U-100% 15N, U-85% 2H]	400 uM
24	DGS-NTA (Ni)	natural abundance	4.4 mM
25	DMPC	natural abundance	44 mM
26	D7PC	natural abundance	88 mM

12 2D 1H-13C HSQC

Instrument

#1 Model Bruker AVANCE (600 MHz) Details cryoprobe

#2 Model Bruker AVANCE NEO (700 MHz) Details cryoprobe

#3 Model Bruker AVANCE (800 MHz) Details cryoprobe

Sample #1

#	Name	Isotope labeling	Concentration
1	DR5 ectodomain	[U-100% 15N, U-100% 13C, U-85% 2H]	400 uM
2	DGS-NTA (Ni)	natural abundance	4.4 mM
3	DMPC	natural abundance	44 mM
4	D7PC	natural abundance	88 mM

Sample #2

#	Name	Isotope labeling	Concentration
5	DR5 ectodomain	[U-100% 15N; U-100% 2H]	500 uM
6	DGS-NTA (Ni)	natural abundance	5.5 mM
7	DMPC	natural abundance	55 mM
8	D7PC	natural abundance	110 mM

Sample #3

#	Name	Isotope labeling	Concentration
9	DR5 ectodomain	[U-100% 13C]	250 uM
10	DGS-NTA (Ni)	natural abundance	5.5 mM
11	DMPC	natural abundance	55 mM
12	D7PC	natural abundance	110 mM
13	Isotopically mixed DR5 ectodomain	[U-100% 15N; U-100% 2H]	250 uM

Sample #4

#	Name	Isotope labeling	Concentration
14	DR5 ectodomain	natural abundance	250 uM
15	DGS-NTA (Ni)	natural abundance	5.5 mM
16	DMPC	natural abundance	55 mM
17	D7PC	natural abundance	110 mM
18	Isotopically mixed DR5 ectodomain	[U-100% 13C; U-100% 15N; U-95% 2H]	250 uM

Sample #5

#	Name	Isotope labeling	Concentration
19	DR5 ectodomain	[U-100% 13C; U-100% 15N]	500 uM
20	DGS-NTA (Ni)	natural abundance	5.5 mM
21	DMPC	natural abundance	55 mM
22	D7PC	natural abundance	110 mM

Sample #6

#	Name	Isotope labeling	Concentration
23	DR5 ectodomain	[U-100% 15N, U-85% 2H]	400 uM
24	DGS-NTA (Ni)	natural abundance	4.4 mM
25	DMPC	natural abundance	44 mM
26	D7PC	natural abundance	88 mM

13 3D 1H-15N NOESY-TROSY

Instrument

#1 Model Bruker AVANCE (600 MHz) Details cryoprobe

#2 Model Bruker AVANCE NEO (700 MHz) Details cryoprobe

#3 Model Bruker AVANCE (800 MHz) Details cryoprobe

Sample #1

#	Name	Isotope labeling	Concentration
1	DR5 ectodomain	[U-100% 15N, U-100% 13C, U-85% 2H]	400 uM
2	DGS-NTA (Ni)	natural abundance	4.4 mM
3	DMPC	natural abundance	44 mM
4	D7PC	natural abundance	88 mM

Sample #2

#	Name	Isotope labeling	Concentration
5	DR5 ectodomain	[U-100% 15N; U-100% 2H]	500 uM
6	DGS-NTA (Ni)	natural abundance	5.5 mM
7	DMPC	natural abundance	55 mM
8	D7PC	natural abundance	110 mM

Sample #3

#	Name	Isotope labeling	Concentration
9	DR5 ectodomain	[U-100% 13C]	250 uM
10	DGS-NTA (Ni)	natural abundance	5.5 mM
11	DMPC	natural abundance	55 mM
12	D7PC	natural abundance	110 mM
13	Isotopically mixed DR5 ectodomain	[U-100% 15N; U-100% 2H]	250 uM

Sample #4

#	Name	Isotope labeling	Concentration
14	DR5 ectodomain	natural abundance	250 uM
15	DGS-NTA (Ni)	natural abundance	5.5 mM
16	DMPC	natural abundance	55 mM
17	D7PC	natural abundance	110 mM
18	Isotopically mixed DR5 ectodomain	[U-100% 13C; U-100% 15N; U-95% 2H]	250 uM

Sample #5

#	Name	Isotope labeling	Concentration
19	DR5 ectodomain	[U-100% 13C; U-100% 15N]	500 uM
20	DGS-NTA (Ni)	natural abundance	5.5 mM
21	DMPC	natural abundance	55 mM
22	D7PC	natural abundance	110 mM

Sample #6

#	Name	Isotope labeling	Concentration
23	DR5 ectodomain	[U-100% 15N, U-85% 2H]	400 uM
24	DGS-NTA (Ni)	natural abundance	4.4 mM
25	DMPC	natural abundance	44 mM
26	D7PC	natural abundance	88 mM

14 3D 1H-13C NOESY aliphatic

Instrument

#1 Model Bruker AVANCE (600 MHz) Details cryoprobe

#2 Model Bruker AVANCE NEO (700 MHz) Details cryoprobe

#3 Model Bruker AVANCE (800 MHz) Details cryoprobe

Sample #1

#	Name	Isotope labeling	Concentration
1	DR5 ectodomain	[U-100% 15N, U-100% 13C, U-85% 2H]	400 uM
2	DGS-NTA (Ni)	natural abundance	4.4 mM
3	DMPC	natural abundance	44 mM
4	D7PC	natural abundance	88 mM

Sample #2

#	Name	Isotope labeling	Concentration
5	DR5 ectodomain	[U-100% 15N; U-100% 2H]	500 uM
6	DGS-NTA (Ni)	natural abundance	5.5 mM
7	DMPC	natural abundance	55 mM
8	D7PC	natural abundance	110 mM

Sample #3

#	Name	Isotope labeling	Concentration
9	DR5 ectodomain	[U-100% 13C]	250 uM
10	DGS-NTA (Ni)	natural abundance	5.5 mM
11	DMPC	natural abundance	55 mM
12	D7PC	natural abundance	110 mM
13	Isotopically mixed DR5 ectodomain	[U-100% 15N; U-100% 2H]	250 uM

Sample #4

#	Name	Isotope labeling	Concentration
14	DR5 ectodomain	natural abundance	250 uM
15	DGS-NTA (Ni)	natural abundance	5.5 mM
16	DMPC	natural abundance	55 mM
17	D7PC	natural abundance	110 mM
18	Isotopically mixed DR5 ectodomain	[U-100% 13C; U-100% 15N; U-95% 2H]	250 uM

Sample #5

#	Name	Isotope labeling	Concentration
19	DR5 ectodomain	[U-100% 13C; U-100% 15N]	500 uM
20	DGS-NTA (Ni)	natural abundance	5.5 mM
21	DMPC	natural abundance	55 mM
22	D7PC	natural abundance	110 mM

Sample #6

#	Name	Isotope labeling	Concentration
23	DR5 ectodomain	[U-100% 15N, U-85% 2H]	400 uM
24	DGS-NTA (Ni)	natural abundance	4.4 mM
25	DMPC	natural abundance	44 mM
26	D7PC	natural abundance	88 mM

15 2D 1H-15N TROSY-HSQC

Instrument

#1 Model Bruker AVANCE (600 MHz) Details cryoprobe

#2 Model Bruker AVANCE NEO (700 MHz) Details cryoprobe

#3 Model Bruker AVANCE (800 MHz) Details cryoprobe

Sample #1

#	Name	Isotope labeling	Concentration
1	DR5 ectodomain	[U-100% 15N, U-100% 13C, U-85% 2H]	400 uM
2	DGS-NTA (Ni)	natural abundance	4.4 mM
3	DMPC	natural abundance	44 mM
4	D7PC	natural abundance	88 mM

Sample #2

#	Name	Isotope labeling	Concentration
5	DR5 ectodomain	[U-100% 15N; U-100% 2H]	500 uM
6	DGS-NTA (Ni)	natural abundance	5.5 mM
7	DMPC	natural abundance	55 mM
8	D7PC	natural abundance	110 mM

Sample #3

#	Name	Isotope labeling	Concentration
9	DR5 ectodomain	[U-100% 13C]	250 uM
10	DGS-NTA (Ni)	natural abundance	5.5 mM
11	DMPC	natural abundance	55 mM
12	D7PC	natural abundance	110 mM
13	Isotopically mixed DR5 ectodomain	[U-100% 15N; U-100% 2H]	250 uM

Sample #4

#	Name	Isotope labeling	Concentration
14	DR5 ectodomain	natural abundance	250 uM
15	DGS-NTA (Ni)	natural abundance	5.5 mM
16	DMPC	natural abundance	55 mM
17	D7PC	natural abundance	110 mM
18	Isotopically mixed DR5 ectodomain	[U-100% 13C; U-100% 15N; U-95% 2H]	250 uM

Sample #5

#	Name	Isotope labeling	Concentration
19	DR5 ectodomain	[U-100% 13C; U-100% 15N]	500 uM
20	DGS-NTA (Ni)	natural abundance	5.5 mM
21	DMPC	natural abundance	55 mM
22	D7PC	natural abundance	110 mM

Sample #6

#	Name	Isotope labeling	Concentration
23	DR5 ectodomain	[U-100% 15N, U-85% 2H]	400 uM
24	DGS-NTA (Ni)	natural abundance	4.4 mM
25	DMPC	natural abundance	44 mM
26	D7PC	natural abundance	88 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr31034_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)
1:5:CYS:SG	1:18:CYS:SG	oxidized, CA 51.85, CB 38.45 ppm	oxidized, CA 52.83, CB 38.45 ppm	n/a
1:21:CYS:SG	1:37:CYS:SG	oxidized, CA 53.25, CB 36.73 ppm	oxidized, CA 57.31, CB 45.69 ppm	n/a
1:40:CYS:SG	1:53:CYS:SG	oxidized, CA 56.74, CB 40.53 ppm	oxidized, CA 54.28, CB 43.34 ppm	n/a
1:43:CYS:SG	1:61:CYS:SG	oxidized, CA 52.95, CB 35.0 ppm	oxidized, CA 53.16, CB 42.63 ppm	n/a
1:63:CYS:SG	1:77:CYS:SG	oxidized, CA 55.87, CB 38.2 ppm	oxidized, CA 56.62, CB 41.8 ppm	n/a
1:80:CYS:SG	1:94:CYS:SG	oxidized, CA 55.44, CB 43.12 ppm	oxidized, CA 55.04, CB 39.92 ppm	n/a
1:84:CYS:SG	1:102:CYS:SG	unknown	oxidized, CA 53.37, CB 44.24 ppm	n/a
2:5:CYS:SG	2:18:CYS:SG	unknown	unknown	n/a
2:21:CYS:SG	2:37:CYS:SG	unknown	unknown	n/a
2:40:CYS:SG	2:53:CYS:SG	unknown	unknown	n/a
2:43:CYS:SG	2:61:CYS:SG	unknown	unknown	n/a
2:63:CYS:SG	2:77:CYS:SG	unknown	unknown	n/a
2:80:CYS:SG	2:94:CYS:SG	unknown	unknown	n/a
2:84:CYS:SG	2:102:CYS:SG	unknown	unknown	n/a
3:5:CYS:SG	3:18:CYS:SG	unknown	unknown	n/a
3:21:CYS:SG	3:37:CYS:SG	unknown	unknown	n/a
3:40:CYS:SG	3:53:CYS:SG	unknown	unknown	n/a
3:43:CYS:SG	3:61:CYS:SG	unknown	unknown	n/a
3:63:CYS:SG	3:77:CYS:SG	unknown	unknown	n/a
3:80:CYS:SG	3:94:CYS:SG	unknown	unknown	n/a
3:84:CYS:SG	3:102:CYS:SG	unknown	unknown	n/a

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

None

Non-standard residues

None

Content subtype: bmr31034_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	831		93.6 (chain: 1, length: 109)
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: 109, Sequence coverage: 93.6%
- Total number of assignments
  - ¹H chemical shifts: 386
  - ¹³C chemical shifts: 348
  - ¹⁵N chemical shifts: 97
- 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

Keywords APOPTOSIS, autoinhibition state, preligand association structure

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	615	320	52.0
¹³C chemical shifts	453	348	76.8
¹⁵N chemical shifts	117	97	82.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	222	190	85.6
¹³C chemical shifts	218	203	93.1
¹⁵N chemical shifts	103	95	92.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	393	130	33.1
¹³C chemical shifts	235	145	61.7
¹⁵N chemical shifts	14	2	14.3

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Found 1 Document (0.942 seconds)

BMRB: 31034

Related entities 1. Tumor necrosis factor receptor superfamily member 10B, : 1 : 2 : 10 : 45 entities Detail

Interaction partners 1. Tumor necrosis factor receptor superfamily member 10B, : 14 interactors Detail

Experiments performed 15 experiments Detail

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