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BMRB: 34334

6Q2Z

NMR solution structure of the HVO_2922 protein from Haloferax volcanii

Authors

Kubatova, N., Jonker, H.R.A., Saxena, K., Richter, C., Marchfelder, A., Schwalbe, H.

Assembly

UPF0339 family protein

Entity

1. UPF0339 family protein (polymer, Thiol state: not present), 60 monomers, 6675.327 × 2 Da Detail

MNKAHFEVFV DAADKYRWRL VHDNGNILAD SGEGYASKQK AKQGIESVKR NAPDADVIEA

Total weight

13350.654 Da

Max. entity weight

6675.327 Da

Source organism

Haloferax volcanii DS2

Exptl. method

solution NMR

Refine. method

simulated annealing with torsion angle dynamicscartesian angle dynamicsmolecular dynamics

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 399, ¹³C: 235, ¹⁵N: 63 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	MET	HA	H	3.86	0.02	1
2	1	1	MET	HB2	H	2.19	0.02	2
3	1	1	MET	HB3	H	2.12	0.02	2
4	1	1	MET	HG2	H	2.64	0.02	2
5	1	1	MET	HG3	H	2.64	0.02	2
6	1	1	MET	HE1	H	2.11	0.02	1
7	1	1	MET	HE2	H	2.11	0.02	1
8	1	1	MET	HE3	H	2.11	0.02	1
9	1	1	MET	CA	C	56.81	0.10	1
10	1	1	MET	CG	C	31.58	0.10	1
11	1	1	MET	CE	C	16.92	0.10	1
12	1	2	ASN	HA	H	4.82	0.02	1
13	1	2	ASN	HB2	H	2.92	0.02	2
14	1	2	ASN	HB3	H	2.83	0.02	2
15	1	2	ASN	HD21	H	7.10	0.02	2
16	1	2	ASN	HD22	H	7.71	0.02	2
17	1	2	ASN	C	C	174.71	0.10	1
18	1	2	ASN	CA	C	53.48	0.10	1
19	1	2	ASN	CB	C	39.17	0.10	1
20	1	2	ASN	ND2	N	113.25	0.10	1
21	1	3	LYS	H	H	8.19	0.02	1
22	1	3	LYS	HA	H	4.41	0.02	1
23	1	3	LYS	HB2	H	1.60	0.02	2
24	1	3	LYS	HB3	H	1.77	0.02	2
25	1	3	LYS	HG2	H	1.46	0.02	2
26	1	3	LYS	HG3	H	1.38	0.02	2
27	1	3	LYS	HD2	H	1.73	0.02	2
28	1	3	LYS	HD3	H	1.73	0.02	2
29	1	3	LYS	HE2	H	3.05	0.02	2
30	1	3	LYS	HE3	H	3.05	0.02	2
31	1	3	LYS	C	C	173.96	0.10	1
32	1	3	LYS	CA	C	55.61	0.10	1
33	1	3	LYS	CB	C	33.73	0.10	1
34	1	3	LYS	CG	C	24.69	0.10	1
35	1	3	LYS	CD	C	29.08	0.10	1
36	1	3	LYS	CE	C	42.19	0.10	1
37	1	3	LYS	N	N	120.98	0.10	1
38	1	4	ALA	H	H	7.99	0.02	1
39	1	4	ALA	HA	H	4.89	0.02	1
40	1	4	ALA	HB1	H	0.93	0.02	1
41	1	4	ALA	HB2	H	0.93	0.02	1
42	1	4	ALA	HB3	H	0.93	0.02	1
43	1	4	ALA	C	C	175.46	0.10	1
44	1	4	ALA	CA	C	50.74	0.10	1
45	1	4	ALA	CB	C	22.35	0.10	1
46	1	4	ALA	N	N	120.22	0.10	1
47	1	5	HIS	H	H	8.53	0.02	1
48	1	5	HIS	HA	H	5.20	0.02	1
49	1	5	HIS	HB2	H	3.21	0.02	2
50	1	5	HIS	HB3	H	3.10	0.02	2
51	1	5	HIS	HD2	H	6.89	0.02	1
52	1	5	HIS	HE1	H	6.89	0.02	1
53	1	5	HIS	C	C	173.49	0.10	1
54	1	5	HIS	CA	C	55.45	0.10	1
55	1	5	HIS	CB	C	31.57	0.20	1
56	1	5	HIS	N	N	112.35	0.20	1
57	1	6	PHE	H	H	9.92	0.04	1
58	1	6	PHE	HA	H	5.58	0.02	1
59	1	6	PHE	HB2	H	3.22	0.02	2
60	1	6	PHE	HB3	H	2.86	0.02	2
61	1	6	PHE	HD1	H	6.96	0.02	3
62	1	6	PHE	HD2	H	6.96	0.02	3
63	1	6	PHE	C	C	176.06	0.10	1
64	1	6	PHE	CA	C	58.04	0.10	1
65	1	6	PHE	CB	C	42.53	0.20	1
66	1	6	PHE	N	N	121.37	0.20	1
67	1	7	GLU	H	H	9.76	0.02	1
68	1	7	GLU	HA	H	5.61	0.02	1
69	1	7	GLU	HB2	H	2.18	0.02	2
70	1	7	GLU	HB3	H	2.18	0.02	2
71	1	7	GLU	HG2	H	2.40	0.02	2
72	1	7	GLU	HG3	H	2.37	0.02	2
73	1	7	GLU	C	C	176.35	0.10	1
74	1	7	GLU	CA	C	54.73	0.10	1
75	1	7	GLU	CB	C	32.71	0.10	1
76	1	7	GLU	CG	C	36.94	0.10	1
77	1	7	GLU	N	N	120.92	0.10	1
78	1	8	VAL	H	H	9.07	0.02	1
79	1	8	VAL	HA	H	5.31	0.02	1
80	1	8	VAL	HB	H	2.10	0.02	1
81	1	8	VAL	HG11	H	0.97	0.02	2
82	1	8	VAL	HG12	H	0.97	0.02	2
83	1	8	VAL	HG13	H	0.97	0.02	2
84	1	8	VAL	HG21	H	1.15	0.02	2
85	1	8	VAL	HG22	H	1.15	0.02	2
86	1	8	VAL	HG23	H	1.15	0.02	2
87	1	8	VAL	C	C	174.99	0.10	1
88	1	8	VAL	CA	C	61.50	0.10	1
89	1	8	VAL	CB	C	33.62	0.10	1
90	1	8	VAL	CG1	C	22.73	0.10	1
91	1	8	VAL	CG2	C	21.59	0.10	1
92	1	8	VAL	N	N	124.37	0.10	1
93	1	9	PHE	H	H	8.87	0.02	1
94	1	9	PHE	HA	H	5.35	0.02	1
95	1	9	PHE	HB2	H	3.19	0.02	2
96	1	9	PHE	HB3	H	2.97	0.02	2
97	1	9	PHE	HD1	H	7.02	0.02	3
98	1	9	PHE	HD2	H	7.02	0.02	3
99	1	9	PHE	HE1	H	7.06	0.02	3
100	1	9	PHE	HE2	H	7.06	0.02	3
101	1	9	PHE	C	C	171.42	0.10	1
102	1	9	PHE	CA	C	55.44	0.10	1
103	1	9	PHE	CB	C	42.25	0.10	1
104	1	9	PHE	N	N	125.76	0.10	1
105	1	10	VAL	H	H	8.59	0.02	1
106	1	10	VAL	HA	H	4.39	0.02	1
107	1	10	VAL	HB	H	1.69	0.02	1
108	1	10	VAL	HG11	H	0.45	0.02	2
109	1	10	VAL	HG12	H	0.45	0.02	2
110	1	10	VAL	HG13	H	0.45	0.02	2
111	1	10	VAL	HG21	H	0.77	0.02	2
112	1	10	VAL	HG22	H	0.77	0.02	2
113	1	10	VAL	HG23	H	0.77	0.02	2
114	1	10	VAL	C	C	176.31	0.10	1
115	1	10	VAL	CA	C	60.61	0.10	1
116	1	10	VAL	CB	C	33.05	0.10	1
117	1	10	VAL	CG1	C	21.72	0.10	1
118	1	10	VAL	CG2	C	20.94	0.10	1
119	1	10	VAL	N	N	120.24	0.10	1
120	1	11	ASP	H	H	9.13	0.02	1
121	1	11	ASP	HA	H	4.79	0.02	1
122	1	11	ASP	HB2	H	3.41	0.02	2
123	1	11	ASP	HB3	H	2.31	0.02	2
124	1	11	ASP	C	C	177.77	0.10	1
125	1	11	ASP	CA	C	52.47	0.10	1
126	1	11	ASP	CB	C	42.38	0.10	1
127	1	11	ASP	N	N	129.66	0.10	1
128	1	12	ALA	H	H	8.14	0.02	1
129	1	12	ALA	HA	H	4.20	0.02	1
130	1	12	ALA	HB1	H	1.45	0.02	1
131	1	12	ALA	HB2	H	1.45	0.02	1
132	1	12	ALA	HB3	H	1.45	0.02	1
133	1	12	ALA	C	C	177.73	0.10	1
134	1	12	ALA	CA	C	53.99	0.10	1
135	1	12	ALA	CB	C	18.53	0.10	1
136	1	12	ALA	N	N	118.82	0.10	1
137	1	13	ALA	H	H	8.42	0.02	1
138	1	13	ALA	HA	H	4.48	0.02	1
139	1	13	ALA	HB1	H	1.35	0.02	1
140	1	13	ALA	HB2	H	1.35	0.02	1
141	1	13	ALA	HB3	H	1.35	0.02	1
142	1	13	ALA	C	C	176.22	0.10	1
143	1	13	ALA	CA	C	51.05	0.10	1
144	1	13	ALA	CB	C	18.78	0.10	1
145	1	13	ALA	N	N	122.79	0.10	1
146	1	14	ASP	H	H	8.00	0.02	1
147	1	14	ASP	HA	H	4.08	0.02	1
148	1	14	ASP	HB2	H	2.92	0.02	2
149	1	14	ASP	HB3	H	2.83	0.02	2
150	1	14	ASP	C	C	175.01	0.10	1
151	1	14	ASP	CA	C	56.18	0.10	1
152	1	14	ASP	CB	C	39.22	0.10	1
153	1	14	ASP	N	N	114.00	0.10	1
154	1	15	LYS	H	H	8.30	0.02	1
155	1	15	LYS	HA	H	4.52	0.02	1
156	1	15	LYS	HB2	H	2.02	0.02	2
157	1	15	LYS	HB3	H	1.40	0.02	2
158	1	15	LYS	HG2	H	1.34	0.02	2
159	1	15	LYS	HG3	H	1.20	0.02	2
160	1	15	LYS	HD2	H	1.47	0.02	2
161	1	15	LYS	HD3	H	1.36	0.02	2
162	1	15	LYS	HE2	H	2.91	0.02	2
163	1	15	LYS	HE3	H	2.91	0.02	2
164	1	15	LYS	C	C	175.43	0.10	1
165	1	15	LYS	CA	C	53.88	0.10	1
166	1	15	LYS	CB	C	32.63	0.10	1
167	1	15	LYS	CG	C	24.75	0.10	1
168	1	15	LYS	CD	C	28.43	0.10	1
169	1	15	LYS	CE	C	42.40	0.10	1
170	1	15	LYS	N	N	118.33	0.10	1
171	1	16	TYR	H	H	8.98	0.02	1
172	1	16	TYR	HA	H	4.82	0.02	1
173	1	16	TYR	HB2	H	2.62	0.02	2
174	1	16	TYR	HB3	H	2.48	0.02	2
175	1	16	TYR	HE1	H	6.81	0.02	3
176	1	16	TYR	HE2	H	6.81	0.02	3
177	1	16	TYR	C	C	176.04	0.10	1
178	1	16	TYR	CA	C	58.55	0.10	1
179	1	16	TYR	CB	C	40.63	0.10	1
180	1	16	TYR	CE1	C	117.69	0.10	3
181	1	16	TYR	CE2	C	117.69	0.10	3
182	1	16	TYR	N	N	118.08	0.10	1
183	1	17	ARG	H	H	9.02	0.02	1
184	1	17	ARG	HA	H	4.69	0.02	1
185	1	17	ARG	HB2	H	1.46	0.02	2
186	1	17	ARG	HB3	H	0.35	0.02	2
187	1	17	ARG	HG2	H	1.37	0.02	2
188	1	17	ARG	HG3	H	1.21	0.02	2
189	1	17	ARG	HD2	H	3.20	0.02	2
190	1	17	ARG	HD3	H	3.20	0.02	2
191	1	17	ARG	C	C	173.96	0.10	1
192	1	17	ARG	CA	C	53.96	0.10	1
193	1	17	ARG	CB	C	36.18	0.10	1
194	1	17	ARG	CG	C	30.04	0.10	1
195	1	17	ARG	CD	C	43.25	0.10	1
196	1	17	ARG	N	N	122.08	0.10	1
197	1	18	TRP	H	H	7.32	0.02	1
198	1	18	TRP	HA	H	6.57	0.02	1
199	1	18	TRP	HB2	H	3.66	0.02	2
200	1	18	TRP	HB3	H	3.22	0.02	2
201	1	18	TRP	HD1	H	7.05	0.02	1
202	1	18	TRP	HE1	H	10.50	0.02	1
203	1	18	TRP	C	C	176.23	0.10	1
204	1	18	TRP	CA	C	54.50	0.10	1
205	1	18	TRP	CB	C	35.36	0.10	1
206	1	18	TRP	N	N	109.29	0.10	1
207	1	18	TRP	NE1	N	130.09	0.10	1
208	1	19	ARG	H	H	9.72	0.02	1
209	1	19	ARG	HA	H	5.68	0.02	1
210	1	19	ARG	HB2	H	2.38	0.02	2
211	1	19	ARG	HB3	H	2.00	0.02	2
212	1	19	ARG	HG2	H	1.73	0.02	2
213	1	19	ARG	HG3	H	1.73	0.02	2
214	1	19	ARG	HD2	H	2.93	0.02	2
215	1	19	ARG	HD3	H	2.93	0.02	2
216	1	19	ARG	C	C	173.97	0.10	1
217	1	19	ARG	CA	C	55.79	0.10	1
218	1	19	ARG	CB	C	34.24	0.10	1
219	1	19	ARG	CG	C	27.68	0.10	1
220	1	19	ARG	CD	C	43.43	0.10	1
221	1	19	ARG	N	N	118.49	0.10	1
222	1	20	LEU	H	H	9.64	0.02	1
223	1	20	LEU	HA	H	4.85	0.02	1
224	1	20	LEU	HB2	H	1.99	0.02	2
225	1	20	LEU	HB3	H	1.13	0.02	2
226	1	20	LEU	HG	H	1.10	0.02	1
227	1	20	LEU	HD11	H	-0.54	0.02	2
228	1	20	LEU	HD12	H	-0.54	0.02	2
229	1	20	LEU	HD13	H	-0.54	0.02	2
230	1	20	LEU	HD21	H	0.57	0.02	2
231	1	20	LEU	HD22	H	0.57	0.02	2
232	1	20	LEU	HD23	H	0.57	0.02	2
233	1	20	LEU	C	C	173.87	0.10	1
234	1	20	LEU	CA	C	54.02	0.10	1
235	1	20	LEU	CB	C	43.61	0.10	1
236	1	20	LEU	CG	C	26.94	0.10	1
237	1	20	LEU	CD1	C	20.10	0.10	1
238	1	20	LEU	CD2	C	26.72	0.10	1
239	1	20	LEU	N	N	126.63	0.10	1
240	1	21	VAL	H	H	9.13	0.02	1
241	1	21	VAL	HA	H	4.62	0.02	1
242	1	21	VAL	HB	H	1.42	0.02	1
243	1	21	VAL	HG11	H	0.86	0.08	2
244	1	21	VAL	HG12	H	0.86	0.08	2
245	1	21	VAL	HG13	H	0.86	0.08	2
246	1	21	VAL	HG21	H	0.86	0.08	2
247	1	21	VAL	HG22	H	0.86	0.08	2
248	1	21	VAL	HG23	H	0.86	0.08	2
249	1	21	VAL	C	C	174.59	0.10	1
250	1	21	VAL	CA	C	61.02	0.10	1
251	1	21	VAL	CB	C	34.59	0.10	1
252	1	21	VAL	CG1	C	20.72	0.10	1
253	1	21	VAL	CG2	C	20.70	0.10	1
254	1	21	VAL	N	N	128.60	0.10	1
255	1	22	HIS	H	H	9.05	0.02	1
256	1	22	HIS	HA	H	4.56	0.02	1
257	1	22	HIS	HB2	H	3.33	0.02	2
258	1	22	HIS	HB3	H	2.82	0.02	2
259	1	22	HIS	HD2	H	6.80	0.02	1
260	1	22	HIS	C	C	176.80	0.10	1
261	1	22	HIS	CA	C	57.29	0.10	1
262	1	22	HIS	CB	C	32.35	0.10	1
263	1	22	HIS	N	N	126.55	0.10	1
264	1	23	ASP	H	H	8.48	0.02	1
265	1	23	ASP	HA	H	4.38	0.02	1
266	1	23	ASP	HB2	H	2.61	0.02	2
267	1	23	ASP	HB3	H	2.49	0.02	2
268	1	23	ASP	CA	C	57.78	0.10	1
269	1	23	ASP	CB	C	41.28	0.10	1
270	1	23	ASP	N	N	129.56	0.20	1
271	1	24	ASN	H	H	7.63	0.02	1
272	1	24	ASN	HA	H	4.54	0.02	1
273	1	24	ASN	HB2	H	3.19	0.02	2
274	1	24	ASN	HB3	H	2.92	0.02	2
275	1	24	ASN	HD21	H	6.20	0.02	2
276	1	24	ASN	HD22	H	7.21	0.02	2
277	1	24	ASN	C	C	177.09	0.10	1
278	1	24	ASN	CA	C	53.64	0.10	1
279	1	24	ASN	CB	C	37.43	0.10	1
280	1	24	ASN	N	N	114.32	0.10	1
281	1	24	ASN	ND2	N	107.90	0.10	1
282	1	25	GLY	H	H	8.59	0.02	1
283	1	25	GLY	HA2	H	4.43	0.02	2
284	1	25	GLY	HA3	H	3.55	0.02	2
285	1	25	GLY	C	C	174.51	0.10	1
286	1	25	GLY	CA	C	44.85	0.10	1
287	1	25	GLY	N	N	108.85	0.10	1
288	1	26	ASN	H	H	8.55	0.02	1
289	1	26	ASN	HA	H	4.58	0.02	1
290	1	26	ASN	HB2	H	2.78	0.02	2
291	1	26	ASN	HB3	H	2.67	0.02	2
292	1	26	ASN	HD21	H	6.84	0.02	2
293	1	26	ASN	HD22	H	7.39	0.02	2
294	1	26	ASN	C	C	174.45	0.10	1
295	1	26	ASN	CA	C	53.52	0.10	1
296	1	26	ASN	CB	C	38.42	0.10	1
297	1	26	ASN	N	N	119.28	0.10	1
298	1	26	ASN	ND2	N	111.99	0.10	1
299	1	27	ILE	H	H	8.88	0.02	1
300	1	27	ILE	HA	H	4.28	0.02	1
301	1	27	ILE	HB	H	1.00	0.02	1
302	1	27	ILE	HG12	H	1.68	0.02	2
303	1	27	ILE	HG13	H	1.26	0.02	2
304	1	27	ILE	HG21	H	0.92	0.02	1
305	1	27	ILE	HG22	H	0.92	0.02	1
306	1	27	ILE	HG23	H	0.92	0.02	1
307	1	27	ILE	HD11	H	0.90	0.02	1
308	1	27	ILE	HD12	H	0.90	0.02	1
309	1	27	ILE	HD13	H	0.90	0.02	1
310	1	27	ILE	C	C	176.87	0.10	1
311	1	27	ILE	CA	C	61.29	0.10	1
312	1	27	ILE	CB	C	36.85	0.10	1
313	1	27	ILE	CG1	C	28.15	0.10	1
314	1	27	ILE	CG2	C	18.80	0.10	1
315	1	27	ILE	CD1	C	12.78	0.10	1
316	1	27	ILE	N	N	122.89	0.10	1
317	1	28	LEU	H	H	9.16	0.02	1
318	1	28	LEU	HA	H	4.44	0.02	1
319	1	28	LEU	HB2	H	1.55	0.02	2
320	1	28	LEU	HB3	H	1.55	0.02	2
321	1	28	LEU	HG	H	1.78	0.02	1
322	1	28	LEU	HD11	H	0.76	0.02	2
323	1	28	LEU	HD12	H	0.76	0.02	2
324	1	28	LEU	HD13	H	0.76	0.02	2
325	1	28	LEU	HD21	H	0.95	0.02	2
326	1	28	LEU	HD22	H	0.95	0.02	2
327	1	28	LEU	HD23	H	0.95	0.02	2
328	1	28	LEU	C	C	178.28	0.10	1
329	1	28	LEU	CA	C	56.23	0.10	1
330	1	28	LEU	CB	C	43.38	0.10	1
331	1	28	LEU	CG	C	27.34	0.10	1
332	1	28	LEU	CD1	C	24.86	0.10	1
333	1	28	LEU	CD2	C	22.34	0.10	1
334	1	28	LEU	N	N	127.66	0.10	1
335	1	29	ALA	H	H	7.85	0.02	1
336	1	29	ALA	HA	H	5.07	0.02	1
337	1	29	ALA	HB1	H	1.85	0.02	1
338	1	29	ALA	HB2	H	1.85	0.02	1
339	1	29	ALA	HB3	H	1.85	0.02	1
340	1	29	ALA	C	C	173.22	0.10	1
341	1	29	ALA	CA	C	51.46	0.10	1
342	1	29	ALA	CB	C	23.07	0.10	1
343	1	29	ALA	N	N	116.68	0.10	1
344	1	30	ASP	H	H	9.08	0.02	1
345	1	30	ASP	HA	H	5.10	0.02	1
346	1	30	ASP	HB2	H	2.67	0.02	2
347	1	30	ASP	HB3	H	2.19	0.02	2
348	1	30	ASP	C	C	175.24	0.10	1
349	1	30	ASP	CA	C	53.47	0.10	1
350	1	30	ASP	CB	C	45.90	0.10	1
351	1	30	ASP	N	N	121.40	0.10	1
352	1	31	SER	H	H	7.44	0.02	1
353	1	31	SER	HA	H	3.32	0.02	1
354	1	31	SER	HB2	H	4.09	0.02	2
355	1	31	SER	HB3	H	4.09	0.02	2
356	1	31	SER	C	C	175.55	0.10	1
357	1	31	SER	CA	C	59.73	0.10	1
358	1	31	SER	CB	C	63.01	0.10	1
359	1	31	SER	N	N	113.50	0.10	1
360	1	32	GLY	H	H	7.89	0.02	1
361	1	32	GLY	HA2	H	3.73	0.02	2
362	1	32	GLY	HA3	H	3.66	0.02	2
363	1	32	GLY	C	C	172.53	0.10	1
364	1	32	GLY	CA	C	45.89	0.10	1
365	1	32	GLY	N	N	108.99	0.10	1
366	1	33	GLU	H	H	7.21	0.02	1
367	1	33	GLU	HA	H	4.39	0.02	1
368	1	33	GLU	HB2	H	1.83	0.02	2
369	1	33	GLU	HB3	H	1.54	0.02	2
370	1	33	GLU	HG2	H	1.92	0.02	2
371	1	33	GLU	HG3	H	1.68	0.02	2
372	1	33	GLU	C	C	174.17	0.10	1
373	1	33	GLU	CA	C	53.95	0.10	1
374	1	33	GLU	CB	C	33.25	0.10	1
375	1	33	GLU	CG	C	35.10	0.10	1
376	1	33	GLU	N	N	114.84	0.10	1
377	1	34	GLY	H	H	8.14	0.02	1
378	1	34	GLY	HA2	H	4.47	0.02	2
379	1	34	GLY	HA3	H	2.99	0.02	2
380	1	34	GLY	C	C	173.16	0.10	1
381	1	34	GLY	CA	C	43.95	0.10	1
382	1	34	GLY	N	N	105.79	0.10	1
383	1	35	TYR	H	H	9.75	0.02	1
384	1	35	TYR	HA	H	4.85	0.02	1
385	1	35	TYR	HB2	H	3.19	0.02	2
386	1	35	TYR	HB3	H	2.90	0.02	2
387	1	35	TYR	HD1	H	7.24	0.02	3
388	1	35	TYR	HD2	H	7.24	0.02	3
389	1	35	TYR	HE1	H	6.89	0.02	3
390	1	35	TYR	HE2	H	6.89	0.02	3
391	1	35	TYR	CA	C	57.16	0.10	1
392	1	35	TYR	CB	C	42.37	0.10	1
393	1	35	TYR	CD1	C	133.15	0.10	3
394	1	35	TYR	CD2	C	133.15	0.10	3
395	1	35	TYR	CE1	C	118.76	0.10	3
396	1	35	TYR	CE2	C	118.76	0.10	3
397	1	35	TYR	N	N	120.52	0.10	1
398	1	36	ALA	HA	H	4.43	0.02	1
399	1	36	ALA	HB1	H	1.58	0.02	1
400	1	36	ALA	HB2	H	1.58	0.02	1
401	1	36	ALA	HB3	H	1.58	0.02	1
402	1	36	ALA	C	C	177.22	0.10	1
403	1	36	ALA	CA	C	53.85	0.10	1
404	1	36	ALA	CB	C	19.65	0.10	1
405	1	37	SER	H	H	7.39	0.02	1
406	1	37	SER	HA	H	4.70	0.02	1
407	1	37	SER	HB2	H	4.17	0.02	2
408	1	37	SER	HB3	H	3.86	0.02	2
409	1	37	SER	C	C	173.61	0.10	1
410	1	37	SER	CA	C	55.66	0.10	1
411	1	37	SER	CB	C	66.90	0.10	1
412	1	37	SER	N	N	106.86	0.10	1
413	1	38	LYS	H	H	8.43	0.02	1
414	1	38	LYS	HA	H	3.07	0.02	1
415	1	38	LYS	HB2	H	1.38	0.02	2
416	1	38	LYS	HB3	H	1.15	0.02	2
417	1	38	LYS	HG2	H	1.04	0.02	2
418	1	38	LYS	HG3	H	0.96	0.02	2
419	1	38	LYS	HD2	H	1.59	0.02	2
420	1	38	LYS	HD3	H	1.59	0.02	2
421	1	38	LYS	HE2	H	2.90	0.02	2
422	1	38	LYS	HE3	H	2.90	0.02	2
423	1	38	LYS	C	C	178.28	0.10	1
424	1	38	LYS	CA	C	59.62	0.10	1
425	1	38	LYS	CB	C	31.79	0.10	1
426	1	38	LYS	CG	C	25.25	0.10	1
427	1	38	LYS	CD	C	29.39	0.10	1
428	1	38	LYS	CE	C	41.59	0.10	1
429	1	38	LYS	N	N	124.07	0.10	1
430	1	39	GLN	H	H	8.41	0.02	1
431	1	39	GLN	HA	H	3.83	0.02	1
432	1	39	GLN	HB2	H	2.04	0.02	2
433	1	39	GLN	HB3	H	1.88	0.02	2
434	1	39	GLN	HG2	H	2.35	0.02	2
435	1	39	GLN	HG3	H	2.35	0.02	2
436	1	39	GLN	HE21	H	6.91	0.02	2
437	1	39	GLN	HE22	H	7.50	0.02	2
438	1	39	GLN	C	C	178.95	0.10	1
439	1	39	GLN	CA	C	59.33	0.10	1
440	1	39	GLN	CB	C	27.88	0.10	1
441	1	39	GLN	CG	C	33.71	0.10	1
442	1	39	GLN	N	N	118.48	0.10	1
443	1	39	GLN	NE2	N	112.30	0.10	1
444	1	40	LYS	H	H	7.70	0.02	1
445	1	40	LYS	HA	H	3.95	0.02	1
446	1	40	LYS	HB2	H	1.90	0.02	2
447	1	40	LYS	HB3	H	1.90	0.02	2
448	1	40	LYS	HG2	H	1.52	0.02	2
449	1	40	LYS	HG3	H	1.47	0.02	2
450	1	40	LYS	HD2	H	1.82	0.02	2
451	1	40	LYS	HD3	H	1.82	0.02	2
452	1	40	LYS	HE2	H	3.01	0.02	2
453	1	40	LYS	HE3	H	3.01	0.02	2
454	1	40	LYS	C	C	179.07	0.10	1
455	1	40	LYS	CA	C	58.82	0.10	1
456	1	40	LYS	CB	C	32.36	0.10	1
457	1	40	LYS	CG	C	26.28	0.10	1
458	1	40	LYS	CD	C	28.96	0.10	1
459	1	40	LYS	CE	C	42.18	0.10	1
460	1	40	LYS	N	N	119.20	0.10	1
461	1	41	ALA	H	H	7.39	0.02	1
462	1	41	ALA	HA	H	3.05	0.02	1
463	1	41	ALA	HB1	H	1.35	0.02	1
464	1	41	ALA	HB2	H	1.35	0.02	1
465	1	41	ALA	HB3	H	1.35	0.02	1
466	1	41	ALA	C	C	179.41	0.10	1
467	1	41	ALA	CA	C	54.91	0.10	1
468	1	41	ALA	CB	C	17.86	0.10	1
469	1	41	ALA	N	N	123.26	0.10	1
470	1	42	LYS	H	H	8.09	0.02	1
471	1	42	LYS	HA	H	3.62	0.02	1
472	1	42	LYS	HB2	H	1.84	0.02	2
473	1	42	LYS	HB3	H	1.78	0.02	2
474	1	42	LYS	HG2	H	1.57	0.02	2
475	1	42	LYS	HG3	H	1.10	0.02	2
476	1	42	LYS	HD2	H	1.59	0.02	2
477	1	42	LYS	HD3	H	1.59	0.02	2
478	1	42	LYS	HE2	H	2.76	0.02	2
479	1	42	LYS	HE3	H	2.63	0.02	2
480	1	42	LYS	C	C	179.22	0.10	1
481	1	42	LYS	CA	C	60.14	0.10	1
482	1	42	LYS	CB	C	31.56	0.10	1
483	1	42	LYS	CG	C	27.23	0.10	1
484	1	42	LYS	CD	C	29.35	0.10	1
485	1	42	LYS	CE	C	41.83	0.10	1
486	1	42	LYS	N	N	116.99	0.10	1
487	1	43	GLN	H	H	7.99	0.02	1
488	1	43	GLN	HA	H	3.97	0.02	1
489	1	43	GLN	HB2	H	2.10	0.02	2
490	1	43	GLN	HB3	H	2.10	0.02	2
491	1	43	GLN	HG2	H	2.48	0.02	2
492	1	43	GLN	HG3	H	2.35	0.02	2
493	1	43	GLN	HE21	H	6.85	0.02	2
494	1	43	GLN	HE22	H	7.47	0.02	2
495	1	43	GLN	C	C	179.31	0.10	1
496	1	43	GLN	CA	C	58.87	0.10	1
497	1	43	GLN	CB	C	28.04	0.10	1
498	1	43	GLN	CG	C	34.26	0.10	1
499	1	43	GLN	N	N	120.91	0.10	1
500	1	43	GLN	NE2	N	111.79	0.10	1
501	1	44	GLY	H	H	7.70	0.02	1
502	1	44	GLY	HA2	H	3.93	0.02	2
503	1	44	GLY	HA3	H	3.93	0.02	2
504	1	44	GLY	C	C	176.04	0.10	1
505	1	44	GLY	CA	C	47.51	0.10	1
506	1	44	GLY	N	N	110.58	0.10	1
507	1	45	ILE	H	H	7.42	0.02	1
508	1	45	ILE	HA	H	2.29	0.02	1
509	1	45	ILE	HB	H	1.38	0.02	1
510	1	45	ILE	HG12	H	0.72	0.02	2
511	1	45	ILE	HG13	H	0.72	0.02	2
512	1	45	ILE	HG21	H	-0.78	0.02	1
513	1	45	ILE	HG22	H	-0.78	0.02	1
514	1	45	ILE	HG23	H	-0.78	0.02	1
515	1	45	ILE	HD11	H	0.34	0.02	1
516	1	45	ILE	HD12	H	0.34	0.02	1
517	1	45	ILE	HD13	H	0.34	0.02	1
518	1	45	ILE	C	C	177.78	0.10	1
519	1	45	ILE	CA	C	65.54	0.10	1
520	1	45	ILE	CB	C	36.80	0.10	1
521	1	45	ILE	CG1	C	27.65	0.10	1
522	1	45	ILE	CG2	C	14.20	0.10	1
523	1	45	ILE	CD1	C	15.26	0.10	1
524	1	45	ILE	N	N	123.26	0.10	1
525	1	46	GLU	H	H	7.79	0.02	1
526	1	46	GLU	HA	H	3.68	0.02	1
527	1	46	GLU	HB2	H	2.00	0.02	2
528	1	46	GLU	HB3	H	2.00	0.02	2
529	1	46	GLU	HG2	H	2.28	0.02	2
530	1	46	GLU	HG3	H	2.19	0.02	2
531	1	46	GLU	C	C	178.68	0.10	1
532	1	46	GLU	CA	C	59.43	0.10	1
533	1	46	GLU	CB	C	28.85	0.10	1
534	1	46	GLU	CG	C	35.95	0.10	1
535	1	46	GLU	N	N	118.97	0.10	1
536	1	47	SER	H	H	7.90	0.02	1
537	1	47	SER	HA	H	4.17	0.02	1
538	1	47	SER	HB2	H	4.09	0.02	2
539	1	47	SER	HB3	H	4.01	0.02	2
540	1	47	SER	C	C	178.20	0.10	1
541	1	47	SER	CA	C	61.88	0.10	1
542	1	47	SER	CB	C	63.12	0.10	1
543	1	47	SER	N	N	113.96	0.10	1
544	1	48	VAL	H	H	7.92	0.02	1
545	1	48	VAL	HA	H	3.35	0.02	1
546	1	48	VAL	HB	H	2.17	0.02	1
547	1	48	VAL	HG11	H	1.26	0.02	2
548	1	48	VAL	HG12	H	1.26	0.02	2
549	1	48	VAL	HG13	H	1.26	0.02	2
550	1	48	VAL	HG21	H	0.74	0.02	2
551	1	48	VAL	HG22	H	0.74	0.02	2
552	1	48	VAL	HG23	H	0.74	0.02	2
553	1	48	VAL	C	C	177.36	0.10	1
554	1	48	VAL	CA	C	67.86	0.10	1
555	1	48	VAL	CB	C	31.06	0.10	1
556	1	48	VAL	CG1	C	24.97	0.10	1
557	1	48	VAL	CG2	C	20.58	0.10	1
558	1	48	VAL	N	N	123.05	0.10	1
559	1	49	LYS	H	H	8.41	0.02	1
560	1	49	LYS	HA	H	3.40	0.02	1
561	1	49	LYS	HB2	H	1.94	0.02	2
562	1	49	LYS	HB3	H	1.74	0.02	2
563	1	49	LYS	HG2	H	1.40	0.02	2
564	1	49	LYS	HG3	H	1.40	0.02	2
565	1	49	LYS	HD2	H	1.95	0.02	2
566	1	49	LYS	HD3	H	1.95	0.02	2
567	1	49	LYS	HE2	H	3.05	0.02	2
568	1	49	LYS	HE3	H	3.05	0.02	2
569	1	49	LYS	C	C	177.77	0.10	1
570	1	49	LYS	CA	C	61.94	0.10	1
571	1	49	LYS	CB	C	33.23	0.10	1
572	1	49	LYS	CG	C	25.94	0.10	1
573	1	49	LYS	CD	C	30.38	0.10	1
574	1	49	LYS	CE	C	42.23	0.10	1
575	1	49	LYS	N	N	118.72	0.10	1
576	1	50	ARG	H	H	7.93	0.02	1
577	1	50	ARG	HA	H	4.17	0.02	1
578	1	50	ARG	HB2	H	1.85	0.02	2
579	1	50	ARG	HB3	H	1.79	0.02	2
580	1	50	ARG	HG2	H	1.73	0.02	2
581	1	50	ARG	HG3	H	1.62	0.02	2
582	1	50	ARG	HD2	H	3.19	0.02	2
583	1	50	ARG	HD3	H	3.19	0.02	2
584	1	50	ARG	C	C	178.54	0.10	1
585	1	50	ARG	CA	C	57.98	0.10	1
586	1	50	ARG	CB	C	31.50	0.10	1
587	1	50	ARG	CG	C	27.59	0.10	1
588	1	50	ARG	CD	C	43.27	0.10	1
589	1	50	ARG	N	N	112.25	0.10	1
590	1	51	ASN	H	H	8.05	0.02	1
591	1	51	ASN	HA	H	4.88	0.02	1
592	1	51	ASN	HB2	H	2.53	0.02	2
593	1	51	ASN	HB3	H	2.35	0.02	2
594	1	51	ASN	HD21	H	7.55	0.02	2
595	1	51	ASN	HD22	H	7.63	0.02	2
596	1	51	ASN	C	C	175.71	0.10	1
597	1	51	ASN	CA	C	55.05	0.10	1
598	1	51	ASN	CB	C	40.98	0.10	1
599	1	51	ASN	N	N	113.08	0.10	1
600	1	51	ASN	ND2	N	115.83	0.10	1
601	1	52	ALA	H	H	8.71	0.02	1
602	1	52	ALA	HA	H	4.14	0.02	1
603	1	52	ALA	HB1	H	1.39	0.02	1
604	1	52	ALA	HB2	H	1.39	0.02	1
605	1	52	ALA	HB3	H	1.39	0.02	1
606	1	52	ALA	CA	C	56.53	0.10	1
607	1	52	ALA	CB	C	16.59	0.10	1
608	1	52	ALA	N	N	120.30	0.10	1
609	1	53	PRO	HA	H	4.01	0.02	1
610	1	53	PRO	HB2	H	2.41	0.02	2
611	1	53	PRO	HB3	H	2.41	0.02	2
612	1	53	PRO	HG2	H	2.29	0.02	2
613	1	53	PRO	HG3	H	1.86	0.02	2
614	1	53	PRO	HD2	H	3.64	0.02	2
615	1	53	PRO	HD3	H	3.40	0.02	2
616	1	53	PRO	C	C	177.17	0.10	1
617	1	53	PRO	CA	C	68.06	0.10	1
618	1	53	PRO	CB	C	31.24	0.10	1
619	1	53	PRO	CG	C	29.23	0.10	1
620	1	53	PRO	CD	C	51.25	0.10	1
621	1	54	ASP	H	H	7.86	0.02	1
622	1	54	ASP	HA	H	4.94	0.02	1
623	1	54	ASP	HB2	H	2.89	0.02	2
624	1	54	ASP	HB3	H	2.57	0.02	2
625	1	54	ASP	C	C	175.94	0.10	1
626	1	54	ASP	CA	C	53.40	0.10	1
627	1	54	ASP	CB	C	41.42	0.10	1
628	1	54	ASP	N	N	112.87	0.10	1
629	1	55	ALA	H	H	7.35	0.02	1
630	1	55	ALA	HA	H	4.36	0.02	1
631	1	55	ALA	HB1	H	1.40	0.02	1
632	1	55	ALA	HB2	H	1.40	0.02	1
633	1	55	ALA	HB3	H	1.40	0.02	1
634	1	55	ALA	C	C	177.79	0.10	1
635	1	55	ALA	CA	C	53.30	0.10	1
636	1	55	ALA	CB	C	20.49	0.10	1
637	1	55	ALA	N	N	123.52	0.10	1
638	1	56	ASP	H	H	8.87	0.02	1
639	1	56	ASP	HA	H	4.75	0.02	1
640	1	56	ASP	HB2	H	2.75	0.02	2
641	1	56	ASP	HB3	H	2.75	0.02	2
642	1	56	ASP	C	C	174.64	0.10	1
643	1	56	ASP	CA	C	53.94	0.10	1
644	1	56	ASP	CB	C	41.76	0.10	1
645	1	56	ASP	N	N	123.30	0.10	1
646	1	57	VAL	H	H	8.59	0.02	1
647	1	57	VAL	HA	H	4.78	0.02	1
648	1	57	VAL	HB	H	2.05	0.02	1
649	1	57	VAL	HG11	H	0.89	0.02	2
650	1	57	VAL	HG12	H	0.89	0.02	2
651	1	57	VAL	HG13	H	0.89	0.02	2
652	1	57	VAL	HG21	H	0.79	0.02	2
653	1	57	VAL	HG22	H	0.79	0.02	2
654	1	57	VAL	HG23	H	0.79	0.02	2
655	1	57	VAL	C	C	175.49	0.10	1
656	1	57	VAL	CA	C	62.39	0.10	1
657	1	57	VAL	CB	C	33.19	0.10	1
658	1	57	VAL	CG1	C	21.45	0.10	1
659	1	57	VAL	CG2	C	21.67	0.10	1
660	1	57	VAL	N	N	120.07	0.10	1
661	1	58	ILE	H	H	9.16	0.02	1
662	1	58	ILE	HA	H	4.70	0.02	1
663	1	58	ILE	HB	H	2.11	0.02	1
664	1	58	ILE	HG12	H	1.46	0.02	2
665	1	58	ILE	HG13	H	1.30	0.02	2
666	1	58	ILE	HG21	H	0.94	0.02	1
667	1	58	ILE	HG22	H	0.94	0.02	1
668	1	58	ILE	HG23	H	0.94	0.02	1
669	1	58	ILE	HD11	H	0.75	0.02	1
670	1	58	ILE	HD12	H	0.75	0.02	1
671	1	58	ILE	HD13	H	0.75	0.02	1
672	1	58	ILE	C	C	175.00	0.10	1
673	1	58	ILE	CA	C	59.58	0.10	1
674	1	58	ILE	CB	C	40.97	0.10	1
675	1	58	ILE	CG1	C	27.13	0.10	1
676	1	58	ILE	CG2	C	17.60	0.10	1
677	1	58	ILE	CD1	C	13.08	0.10	1
678	1	58	ILE	N	N	126.71	0.10	1
679	1	59	GLU	H	H	8.63	0.02	1
680	1	59	GLU	HA	H	4.88	0.02	1
681	1	59	GLU	HB2	H	2.21	0.02	2
682	1	59	GLU	HB3	H	2.00	0.02	2
683	1	59	GLU	HG2	H	2.35	0.02	2
684	1	59	GLU	HG3	H	2.13	0.02	2
685	1	59	GLU	C	C	175.17	0.10	1
686	1	59	GLU	CA	C	55.95	0.10	1
687	1	59	GLU	CB	C	30.73	0.10	1
688	1	59	GLU	CG	C	36.83	0.10	1
689	1	59	GLU	N	N	123.62	0.10	1
690	1	60	ALA	H	H	8.69	0.02	1
691	1	60	ALA	HA	H	4.34	0.02	1
692	1	60	ALA	HB1	H	1.42	0.02	1
693	1	60	ALA	HB2	H	1.42	0.02	1
694	1	60	ALA	HB3	H	1.42	0.02	1
695	1	60	ALA	CA	C	53.48	0.10	1
696	1	60	ALA	CB	C	21.22	0.10	1
697	1	60	ALA	N	N	133.35	0.10	1

LACS Plot; CA

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

Referencing offset: -0.45 ppm, Outliers: 5 Detail

LACS Plot; CB

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

Referencing offset: -0.45 ppm, Outliers: 5 Detail

LACS Plot; HA

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

Referencing offset: -0.01 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: -0.06 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6Q2Z, Strand ID: A, B Detail

Release date

2018-12-06

Citation

Solution structure and dynamics of the small protein HVO_2922 from Haloferax volcanii
Kubatova, N., Jonker, H., Saxena, K., Richter, C., Vogel, V., Schreiber, S., Marchfelder, A., Schwalbe, H.
Chembiochem. (2019), 21, 149-156, PubMed 31161645 , DOI 10.1002/cbic.201900085 , Abstract

Related entities 1. UPF0339 family protein, : 1 : 24 entities Detail

Experiments performed 19 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance Bruker 600 - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 5.0 mM [U-15N] HVO_2922, 50 mM sodium phosphate, 100 mM sodium chloride, 3 mM DTT, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HVO_2922	[U-15N]	5.0 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	3 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance Bruker 800 - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	HVO_2922	[U-15N]	5.0 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	3 mM

3 2D 1H-1H NOESY

Instrument

Bruker Avance Bruker 600 - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	HVO_2922	[U-15N]	5.0 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	3 mM

4 2D 1H-1H TOCSY

Instrument

Bruker Avance Bruker 600 - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	HVO_2922	[U-15N]	5.0 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	3 mM

5 3D 1H-15N NOESY

Instrument

Bruker Avance Bruker 600 - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	HVO_2922	[U-15N]	5.0 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	3 mM

6 3D 1H-15N TOCSY

Instrument

Bruker Avance Bruker 600 - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	HVO_2922	[U-15N]	5.0 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	3 mM

7 3D HNHA

Instrument

Bruker Avance Bruker 600 - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	HVO_2922	[U-15N]	5.0 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	3 mM

8 2D 1H-15N HETNOE

Instrument

Bruker Avance Bruker 600 - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	HVO_2922	[U-15N]	5.0 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	3 mM

9 2D 1H-15N T1

Instrument

Bruker Avance Bruker 600 - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	HVO_2922	[U-15N]	5.0 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	3 mM

10 2D 1H-15N T2

Instrument

Bruker Avance Bruker 600 - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	HVO_2922	[U-15N]	5.0 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	3 mM

11 3D HNCACB

Instrument

Bruker Avance Bruker 700 - 700 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 2.0 mM [U-13C; U-15N] HVO_2922, 50 mM sodium phosphate, 100 mM sodium chloride, 3 mM DTT, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
5	HVO_2922	[U-13C; U-15N]	2.0 mM
6	sodium phosphate	natural abundance	50 mM
7	sodium chloride	natural abundance	100 mM
8	DTT	natural abundance	3 mM

12 3D HN(COCA)CB

Instrument

Bruker Avance Bruker 700 - 700 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
5	HVO_2922	[U-13C; U-15N]	2.0 mM
6	sodium phosphate	natural abundance	50 mM
7	sodium chloride	natural abundance	100 mM
8	DTT	natural abundance	3 mM

13 3D HNCO

Instrument

Bruker Avance Bruker 700 - 700 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
5	HVO_2922	[U-13C; U-15N]	2.0 mM
6	sodium phosphate	natural abundance	50 mM
7	sodium chloride	natural abundance	100 mM
8	DTT	natural abundance	3 mM

14 3D (H)CC(CO)NH

Instrument

Bruker Avance Bruker 600 - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
5	HVO_2922	[U-13C; U-15N]	2.0 mM
6	sodium phosphate	natural abundance	50 mM
7	sodium chloride	natural abundance	100 mM
8	DTT	natural abundance	3 mM

15 3D HCCH-TOCSY

Instrument

Bruker Avance Bruker 800 - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
5	HVO_2922	[U-13C; U-15N]	2.0 mM
6	sodium phosphate	natural abundance	50 mM
7	sodium chloride	natural abundance	100 mM
8	DTT	natural abundance	3 mM

16 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance Bruker 800 - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
5	HVO_2922	[U-13C; U-15N]	2.0 mM
6	sodium phosphate	natural abundance	50 mM
7	sodium chloride	natural abundance	100 mM
8	DTT	natural abundance	3 mM

17 3D 1H-13C TOCSY aromatic

Instrument

Bruker Avance Bruker 600 - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
5	HVO_2922	[U-13C; U-15N]	2.0 mM
6	sodium phosphate	natural abundance	50 mM
7	sodium chloride	natural abundance	100 mM
8	DTT	natural abundance	3 mM

18 2D (HB)CB(CGCD)HD

Instrument

Bruker Avance Bruker 800 - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
5	HVO_2922	[U-13C; U-15N]	2.0 mM
6	sodium phosphate	natural abundance	50 mM
7	sodium chloride	natural abundance	100 mM
8	DTT	natural abundance	3 mM

19 2D (HB)CB(CGCDCE)HE

Instrument

Bruker Avance Bruker 800 - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
5	HVO_2922	[U-13C; U-15N]	2.0 mM
6	sodium phosphate	natural abundance	50 mM
7	sodium chloride	natural abundance	100 mM
8	DTT	natural abundance	3 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34334_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

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

None

Non-standard residues

None

Content subtype: bmr34334_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	697		100.0 (chain: 1, length: 60)
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: 60, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 399
  - ¹³C chemical shifts: 235
  - ¹⁵N chemical shifts: 63
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	356	339	95.2
¹³C chemical shifts	262	235	89.7
¹⁵N chemical shifts	69	63	91.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	123	120	97.6
¹³C chemical shifts	120	115	95.8
¹⁵N chemical shifts	59	56	94.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	233	219	94.0
¹³C chemical shifts	142	120	84.5
¹⁵N chemical shifts	10	7	70.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	30	30	100.0
¹³C chemical shifts	30	30	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	28	17	60.7
¹³C chemical shifts	27	6	22.2
¹⁵N chemical shifts	1	1	100.0

Keywords UNKNOWN FUNCTION, conserved hypothetical protein

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Found 1 Document (0.702 seconds)

BMRB: 34334

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. UPF0339 family protein, : 1 : 24 entities Detail

Experiments performed 19 experiments Detail

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Chemical shift validation 3 contents Detail