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BMRB: 30896

7MJ3

Structure of Hact-4

Authors

Schmidt, C.A., Daly, N.L.

Assembly

Hact-4

Entity

1. Hact-4 (polymer, Thiol state: all disulfide bound), 44 monomers, 4757.407 Da Detail

XPRSHVDCPA LHGQCQSLPC TYPLVFVGPD PFHCGPYPQF GCCA

Formula weight

4757.407 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS8:SG	1:CYS42:SG
2	disulfide	sing	1:CYS15:SG	1:CYS34:SG
3	disulfide	sing	1:CYS20:SG	1:CYS43:SG

Source organism

Heliofungia actiniformis

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 257, ¹³C: 52, ¹⁵N: 7 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	PCA	HA	H	4.742	0.020	1
2	1	1	PCA	HB2	H	2.633	0.020	2
3	1	1	PCA	HB3	H	2.439	0.020	2
4	1	1	PCA	HG2	H	2.067	0.020	2
5	1	1	PCA	HG3	H	2.067	0.020	2
6	1	2	PRO	HA	H	4.452	0.020	1
7	1	2	PRO	HB2	H	2.252	0.020	2
8	1	2	PRO	HB3	H	2.252	0.020	2
9	1	2	PRO	HG2	H	2.021	0.020	2
10	1	2	PRO	HG3	H	1.882	0.020	2
11	1	2	PRO	HD2	H	3.608	0.020	2
12	1	2	PRO	HD3	H	3.773	0.020	2
13	1	2	PRO	CA	C	65.857	0.400	1
14	1	2	PRO	CB	C	34.645	0.400	1
15	1	3	ARG	H	H	8.497	0.020	1
16	1	3	ARG	HA	H	4.391	0.020	1
17	1	3	ARG	HB2	H	1.883	0.020	2
18	1	3	ARG	HB3	H	1.883	0.020	2
19	1	3	ARG	HG2	H	1.701	0.020	2
20	1	3	ARG	HG3	H	1.701	0.020	2
21	1	3	ARG	HD2	H	3.177	0.020	2
22	1	3	ARG	HD3	H	3.177	0.020	2
23	1	3	ARG	HE	H	7.261	0.020	1
24	1	3	ARG	CB	C	27.530	0.400	1
25	1	3	ARG	CG	C	29.973	0.400	1
26	1	4	SER	H	H	8.404	0.020	1
27	1	4	SER	HA	H	4.357	0.020	1
28	1	4	SER	HB2	H	3.853	0.020	2
29	1	4	SER	HB3	H	3.853	0.020	2
30	1	4	SER	CA	C	61.839	0.400	1
31	1	4	SER	CB	C	66.619	0.400	1
32	1	4	SER	N	N	117.114	0.400	1
33	1	5	HIS	H	H	8.262	0.020	1
34	1	5	HIS	HA	H	4.914	0.020	1
35	1	5	HIS	HB2	H	3.387	0.020	2
36	1	5	HIS	HB3	H	3.387	0.020	2
37	1	5	HIS	HD2	H	7.306	0.020	1
38	1	5	HIS	HE1	H	8.689	0.020	1
39	1	5	HIS	CD2	C	122.736	0.400	1
40	1	5	HIS	CE1	C	139.890	0.400	1
41	1	5	HIS	N	N	117.098	0.400	1
42	1	6	VAL	H	H	8.626	0.020	1
43	1	6	VAL	HA	H	4.501	0.020	1
44	1	6	VAL	HB	H	2.048	0.020	1
45	1	6	VAL	HG11	H	0.732	0.020	2
46	1	6	VAL	HG12	H	0.732	0.020	2
47	1	6	VAL	HG13	H	0.732	0.020	2
48	1	6	VAL	HG21	H	0.396	0.020	2
49	1	6	VAL	HG22	H	0.396	0.020	2
50	1	6	VAL	HG23	H	0.396	0.020	2
51	1	6	VAL	CG1	C	24.492	0.400	2
52	1	6	VAL	CG2	C	20.661	0.400	2
53	1	7	ASP	H	H	8.229	0.020	1
54	1	7	ASP	HA	H	5.107	0.020	1
55	1	7	ASP	HB2	H	3.016	0.020	2
56	1	7	ASP	HB3	H	2.552	0.020	2
57	1	7	ASP	CA	C	54.443	0.400	1
58	1	8	CYS	H	H	9.870	0.020	1
59	1	8	CYS	HA	H	4.389	0.020	1
60	1	8	CYS	HB2	H	3.002	0.020	2
61	1	8	CYS	HB3	H	3.002	0.020	2
62	1	9	PRO	HA	H	4.266	0.020	1
63	1	9	PRO	HD2	H	3.697	0.020	2
64	1	9	PRO	HD3	H	2.998	0.020	2
65	1	10	ALA	H	H	7.153	0.020	1
66	1	10	ALA	HA	H	3.996	0.020	1
67	1	10	ALA	HB1	H	1.380	0.020	1
68	1	10	ALA	HB2	H	1.380	0.020	1
69	1	10	ALA	HB3	H	1.380	0.020	1
70	1	10	ALA	CA	C	57.244	0.400	1
71	1	10	ALA	CB	C	20.595	0.400	1
72	1	11	LEU	H	H	7.469	0.020	1
73	1	11	LEU	HA	H	4.220	0.020	1
74	1	11	LEU	HB2	H	1.776	0.020	2
75	1	11	LEU	HB3	H	1.680	0.020	2
76	1	11	LEU	HG	H	1.522	0.020	1
77	1	11	LEU	HD11	H	0.763	0.020	2
78	1	11	LEU	HD12	H	0.763	0.020	2
79	1	11	LEU	HD13	H	0.763	0.020	2
80	1	11	LEU	HD21	H	0.763	0.020	2
81	1	11	LEU	HD22	H	0.763	0.020	2
82	1	11	LEU	HD23	H	0.763	0.020	2
83	1	11	LEU	CD1	C	26.069	0.400	2
84	1	11	LEU	CD2	C	26.069	0.400	2
85	1	12	HIS	H	H	7.828	0.020	1
86	1	12	HIS	HA	H	4.250	0.020	1
87	1	12	HIS	HB2	H	3.555	0.020	2
88	1	12	HIS	HB3	H	3.440	0.020	2
89	1	12	HIS	HD2	H	7.255	0.020	1
90	1	12	HIS	HE1	H	8.569	0.020	1
91	1	12	HIS	CB	C	28.406	0.400	1
92	1	12	HIS	CD2	C	122.656	0.400	1
93	1	12	HIS	CE1	C	138.419	0.400	1
94	1	13	GLY	H	H	7.869	0.020	1
95	1	13	GLY	HA2	H	4.597	0.020	2
96	1	13	GLY	HA3	H	3.315	0.020	2
97	1	14	GLN	H	H	9.554	0.020	1
98	1	14	GLN	HA	H	4.656	0.020	1
99	1	14	GLN	HB2	H	2.055	0.020	2
100	1	14	GLN	HB3	H	1.794	0.020	2
101	1	14	GLN	HG2	H	2.319	0.020	2
102	1	14	GLN	HG3	H	2.319	0.020	2
103	1	14	GLN	HE21	H	7.674	0.020	2
104	1	14	GLN	HE22	H	6.915	0.020	2
105	1	15	CYS	H	H	9.110	0.020	1
106	1	15	CYS	HA	H	5.318	0.020	1
107	1	15	CYS	HB2	H	3.176	0.020	2
108	1	15	CYS	HB3	H	2.836	0.020	2
109	1	15	CYS	CA	C	56.400	0.400	1
110	1	15	CYS	N	N	125.031	0.400	1
111	1	16	GLN	H	H	9.095	0.020	1
112	1	16	GLN	HA	H	4.969	0.020	1
113	1	16	GLN	HB2	H	2.345	0.020	2
114	1	16	GLN	HB3	H	2.192	0.020	2
115	1	16	GLN	HG2	H	2.475	0.020	2
116	1	16	GLN	HG3	H	2.475	0.020	2
117	1	16	GLN	HE21	H	7.289	0.020	2
118	1	16	GLN	HE22	H	6.797	0.020	2
119	1	17	SER	H	H	8.575	0.020	1
120	1	17	SER	HA	H	4.643	0.020	1
121	1	17	SER	HB2	H	3.799	0.020	2
122	1	17	SER	HB3	H	3.799	0.020	2
123	1	17	SER	CB	C	65.858	0.400	1
124	1	17	SER	N	N	116.019	0.400	1
125	1	18	LEU	H	H	7.700	0.020	1
126	1	18	LEU	HA	H	4.040	0.020	1
127	1	18	LEU	HB2	H	1.476	0.020	2
128	1	18	LEU	HB3	H	1.476	0.020	2
129	1	18	LEU	HG	H	1.181	0.020	1
130	1	18	LEU	HD11	H	0.750	0.020	2
131	1	18	LEU	HD12	H	0.750	0.020	2
132	1	18	LEU	HD13	H	0.750	0.020	2
133	1	18	LEU	HD21	H	0.621	0.020	2
134	1	18	LEU	HD22	H	0.621	0.020	2
135	1	18	LEU	HD23	H	0.621	0.020	2
136	1	18	LEU	CA	C	56.226	0.400	1
137	1	18	LEU	CD1	C	28.400	0.400	2
138	1	18	LEU	CD2	C	28.400	0.400	2
139	1	19	PRO	HA	H	4.405	0.020	1
140	1	19	PRO	HB2	H	2.391	0.020	2
141	1	19	PRO	HB3	H	2.217	0.020	2
142	1	19	PRO	CA	C	65.079	0.400	1
143	1	20	CYS	H	H	8.705	0.020	1
144	1	20	CYS	HA	H	4.657	0.020	1
145	1	20	CYS	HB2	H	2.687	0.020	2
146	1	20	CYS	HB3	H	2.569	0.020	2
147	1	20	CYS	N	N	117.800	0.400	1
148	1	21	THR	H	H	9.249	0.020	1
149	1	21	THR	HA	H	4.285	0.020	1
150	1	21	THR	HB	H	4.146	0.020	1
151	1	21	THR	HG21	H	1.383	0.020	1
152	1	21	THR	HG22	H	1.383	0.020	1
153	1	21	THR	HG23	H	1.383	0.020	1
154	1	21	THR	CB	C	72.256	0.400	1
155	1	21	THR	CG2	C	24.493	0.400	1
156	1	22	TYR	H	H	8.954	0.020	1
157	1	22	TYR	HA	H	4.520	0.020	1
158	1	22	TYR	HB2	H	3.239	0.020	2
159	1	22	TYR	HB3	H	2.883	0.020	2
160	1	22	TYR	HD1	H	7.140	0.020	1
161	1	22	TYR	HD2	H	7.140	0.020	1
162	1	22	TYR	HE1	H	6.891	0.020	1
163	1	22	TYR	HE2	H	6.891	0.020	1
164	1	22	TYR	CA	C	60.398	0.400	1
165	1	22	TYR	CD2	C	136.152	0.400	3
166	1	22	TYR	CE2	C	121.945	0.400	3
167	1	22	TYR	N	N	131.101	0.400	1
168	1	23	PRO	HA	H	3.326	0.020	1
169	1	23	PRO	HB2	H	1.964	0.020	2
170	1	23	PRO	CA	C	66.597	0.400	1
171	1	24	LEU	H	H	8.796	0.020	1
172	1	24	LEU	HA	H	4.218	0.020	1
173	1	24	LEU	HB2	H	1.888	0.020	2
174	1	24	LEU	HB3	H	1.231	0.020	2
175	1	24	LEU	HG	H	1.626	0.020	1
176	1	24	LEU	HD11	H	0.818	0.020	2
177	1	24	LEU	HD12	H	0.818	0.020	2
178	1	24	LEU	HD13	H	0.818	0.020	2
179	1	24	LEU	HD21	H	0.677	0.020	2
180	1	24	LEU	HD22	H	0.677	0.020	2
181	1	24	LEU	HD23	H	0.677	0.020	2
182	1	24	LEU	CG	C	26.847	0.400	1
183	1	24	LEU	CD1	C	28.390	0.400	2
184	1	24	LEU	CD2	C	24.492	0.400	2
185	1	25	VAL	H	H	9.077	0.020	1
186	1	25	VAL	HA	H	4.496	0.020	1
187	1	25	VAL	HB	H	2.098	0.020	1
188	1	25	VAL	HG11	H	0.954	0.020	2
189	1	25	VAL	HG12	H	0.954	0.020	2
190	1	25	VAL	HG13	H	0.954	0.020	2
191	1	25	VAL	HG21	H	0.877	0.020	2
192	1	25	VAL	HG22	H	0.877	0.020	2
193	1	25	VAL	HG23	H	0.877	0.020	2
194	1	25	VAL	CG1	C	24.459	0.400	2
195	1	25	VAL	CG2	C	22.181	0.400	2
196	1	26	PHE	H	H	8.762	0.020	1
197	1	26	PHE	HA	H	4.951	0.020	1
198	1	26	PHE	HB2	H	3.478	0.020	2
199	1	26	PHE	HB3	H	2.934	0.020	2
200	1	26	PHE	HD1	H	7.304	0.020	1
201	1	26	PHE	HD2	H	7.304	0.020	1
202	1	26	PHE	HE1	H	7.219	0.020	1
203	1	26	PHE	HE2	H	7.219	0.020	1
204	1	26	PHE	HZ	H	6.812	0.020	1
205	1	27	VAL	H	H	8.627	0.020	1
206	1	27	VAL	HA	H	4.279	0.020	1
207	1	27	VAL	HB	H	2.051	0.020	1
208	1	27	VAL	HG11	H	0.888	0.020	2
209	1	27	VAL	HG12	H	0.888	0.020	2
210	1	27	VAL	HG13	H	0.888	0.020	2
211	1	27	VAL	HG21	H	0.611	0.020	2
212	1	27	VAL	HG22	H	0.611	0.020	2
213	1	27	VAL	HG23	H	0.611	0.020	2
214	1	27	VAL	CG1	C	24.497	0.400	2
215	1	27	VAL	CG2	C	22.945	0.400	2
216	1	28	GLY	H	H	5.617	0.020	1
217	1	28	GLY	HA2	H	4.095	0.020	2
218	1	28	GLY	HA3	H	3.137	0.020	2
219	1	29	PRO	HA	H	4.519	0.020	1
220	1	29	PRO	HB2	H	2.054	0.020	2
221	1	29	PRO	CA	C	65.112	0.400	1
222	1	30	ASP	H	H	8.849	0.020	1
223	1	30	ASP	HA	H	5.084	0.020	1
224	1	30	ASP	HB2	H	3.196	0.020	2
225	1	30	ASP	HB3	H	2.880	0.020	2
226	1	30	ASP	CA	C	54.875	0.400	1
227	1	31	PRO	HA	H	4.752	0.020	1
228	1	31	PRO	HB2	H	2.306	0.020	2
229	1	31	PRO	HB3	H	2.306	0.020	2
230	1	31	PRO	HG2	H	1.943	0.020	2
231	1	31	PRO	HG3	H	1.794	0.020	2
232	1	31	PRO	HD2	H	3.446	0.020	2
233	1	31	PRO	HD3	H	3.805	0.020	2
234	1	32	PHE	H	H	7.923	0.020	1
235	1	32	PHE	HA	H	4.204	0.020	1
236	1	32	PHE	HB2	H	2.975	0.020	2
237	1	32	PHE	HB3	H	2.634	0.020	2
238	1	32	PHE	HD1	H	6.654	0.020	1
239	1	32	PHE	HD2	H	6.654	0.020	1
240	1	32	PHE	HE1	H	7.178	0.020	1
241	1	32	PHE	HE2	H	7.178	0.020	1
242	1	32	PHE	HZ	H	7.243	0.020	1
243	1	32	PHE	CD2	C	133.687	0.400	3
244	1	33	HIS	H	H	7.493	0.020	1
245	1	33	HIS	HA	H	4.569	0.020	1
246	1	33	HIS	HB2	H	3.465	0.020	2
247	1	33	HIS	HB3	H	2.999	0.020	2
248	1	33	HIS	HD2	H	7.562	0.020	1
249	1	33	HIS	HE1	H	8.640	0.020	1
250	1	33	HIS	CD2	C	122.744	0.400	1
251	1	33	HIS	CE1	C	138.320	0.400	1
252	1	34	CYS	H	H	8.789	0.020	1
253	1	34	CYS	HA	H	4.734	0.020	1
254	1	34	CYS	HB2	H	3.194	0.020	2
255	1	34	CYS	HB3	H	3.141	0.020	2
256	1	35	GLY	H	H	7.224	0.020	1
257	1	35	GLY	HA2	H	4.219	0.020	2
258	1	35	GLY	HA3	H	3.664	0.020	2
259	1	35	GLY	CA	C	46.353	0.400	1
260	1	36	PRO	HA	H	4.361	0.020	1
261	1	36	PRO	HB2	H	2.315	0.020	2
262	1	36	PRO	HB3	H	2.118	0.020	2
263	1	36	PRO	HD2	H	3.596	0.020	2
264	1	36	PRO	HD3	H	3.697	0.020	2
265	1	36	PRO	CA	C	66.635	0.400	1
266	1	37	TYR	H	H	8.609	0.020	1
267	1	37	TYR	HA	H	5.149	0.020	1
268	1	37	TYR	HB2	H	3.387	0.020	2
269	1	37	TYR	HB3	H	3.073	0.020	2
270	1	37	TYR	HD1	H	7.329	0.020	1
271	1	37	TYR	HD2	H	7.329	0.020	1
272	1	37	TYR	HE1	H	6.677	0.020	1
273	1	37	TYR	HE2	H	6.677	0.020	1
274	1	37	TYR	CA	C	58.747	0.400	1
275	1	37	TYR	CE1	C	122.717	0.400	3
276	1	38	PRO	HA	H	3.074	0.020	1
277	1	38	PRO	HB2	H	1.742	0.020	2
278	1	38	PRO	CA	C	65.820	0.400	1
279	1	39	GLN	H	H	8.173	0.020	1
280	1	39	GLN	HA	H	3.656	0.020	1
281	1	39	GLN	HB2	H	1.946	0.020	2
282	1	39	GLN	HB3	H	1.572	0.020	2
283	1	39	GLN	HG2	H	1.566	0.020	2
284	1	39	GLN	HG3	H	1.881	0.020	2
285	1	39	GLN	HE21	H	7.362	0.020	2
286	1	39	GLN	HE22	H	6.722	0.020	2
287	1	39	GLN	CA	C	63.504	0.400	1
288	1	39	GLN	CB	C	30.705	0.400	1
289	1	39	GLN	N	N	125.502	0.400	1
290	1	40	PHE	H	H	9.190	0.020	1
291	1	40	PHE	HA	H	5.444	0.020	1
292	1	40	PHE	HB2	H	2.699	0.020	2
293	1	40	PHE	HB3	H	2.294	0.020	2
294	1	40	PHE	HD1	H	7.268	0.020	1
295	1	40	PHE	HD2	H	7.268	0.020	1
296	1	40	PHE	HE1	H	7.310	0.020	1
297	1	40	PHE	HE2	H	7.310	0.020	1
298	1	40	PHE	CA	C	58.810	0.400	1
299	1	41	GLY	H	H	8.837	0.020	1
300	1	41	GLY	HA2	H	4.484	0.020	2
301	1	41	GLY	HA3	H	4.179	0.020	2
302	1	42	CYS	H	H	8.294	0.020	1
303	1	42	CYS	HA	H	5.124	0.020	1
304	1	42	CYS	HB2	H	3.127	0.020	2
305	1	42	CYS	HB3	H	2.486	0.020	2
306	1	43	CYS	H	H	9.174	0.020	1
307	1	43	CYS	HA	H	5.591	0.020	1
308	1	43	CYS	HB2	H	2.866	0.020	2
309	1	43	CYS	HB3	H	2.866	0.020	2
310	1	43	CYS	CA	C	56.512	0.400	1
311	1	44	ALA	H	H	9.663	0.020	1
312	1	44	ALA	HA	H	4.694	0.020	1
313	1	44	ALA	HB1	H	1.318	0.020	1
314	1	44	ALA	HB2	H	1.318	0.020	1
315	1	44	ALA	HB3	H	1.318	0.020	1
316	1	44	ALA	CB	C	25.297	0.400	1

Release date

2021-05-16

Citation

Newly Discovered Peptides from the Coral Heliofungia actiniformis Show Structural and Functional Diversity
Schmidt, C.A., Cooke, I., Wilson, D.T., Miller, D.J., Peigneur, S., Tytgat, J., Field, M., Takjoo, R., Smout, M.J., Loukas, A., Daly, N.L.
J. Nat. Prod. (2022), 85, 1789-1798, PubMed 35829679 , DOI 10.1021/acs.jnatprod.2c00325 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 30873 released on 2021-03-29
Title Structure of Hact-SCRiP1

Related entities 1. Hact-4, : 1 : 1 entities Detail

Experiments performed 5 experiments Detail

#	Name	Isotope labeling	Type	Concentration
1	Hact-4	natural abundance		0.5 mM

#	Name	Isotope labeling	Type	Concentration
1	Hact-4	natural abundance		0.5 mM

#	Name	Isotope labeling	Type	Concentration
1	Hact-4	natural abundance		0.5 mM

#	Name	Isotope labeling	Type	Concentration
1	Hact-4	natural abundance		0.5 mM

#	Name	Isotope labeling	Type	Concentration
1	Hact-4	natural abundance		0.5 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30896_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)
1:8:CYS:SG	1:42:CYS:SG	unknown	unknown	n/a
1:15:CYS:SG	1:34:CYS:SG	unknown, CA 56.4 ppm	unknown	n/a
1:20:CYS:SG	1:43:CYS:SG	unknown	unknown, CA 56.512 ppm	n/a

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

None

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
1	1	PCA	PYROGLUTAMIC ACID	Assigned chemical shifts

Content subtype: bmr30896_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	316		100.0 (chain: 1, length: 44)
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: 44, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 257
  - ¹³C chemical shifts: 52
  - ¹⁵N chemical shifts: 7
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	254	227	89.4
¹³C chemical shifts	194	52	26.8
¹⁵N chemical shifts	40	7	17.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	84	83	98.8
¹³C chemical shifts	87	18	20.7
¹⁵N chemical shifts	36	7	19.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	170	144	84.7
¹³C chemical shifts	107	34	31.8
¹⁵N chemical shifts	4	0	0.0

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	29	28	96.6
¹³C chemical shifts	29	10	34.5

Keywords UNKNOWN FUNCTION

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BMRB: 30896

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. Hact-4, : 1 : 1 entities Detail

Experiments performed 5 experiments Detail

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Chemical shift validation 3 contents Detail