BMRBj - BMREntryMaster

Found 1 Document (0.607 seconds)

BMRB: 34909

9EOW

The 5-terminal stem-loop RNA element of SARS-CoV-2 features highly dynamic structural elements that are sensitive to differences in cellular pH

Authors

Wacker, A., Schwalbe, H.

Assembly

RNA (29-MER)

Entity

1. RNA (29-MER) (polymer, Thiol state: not present), 29 monomers, 9267.485 Da Detail

GGGUUUAUAC CUUCCCAGGU AACAAACCC

Formula weight

9267.485 Da

Source organism

Severe acute respiratory syndrome coronavirus 2

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemical Shifts 1

¹H: 211, ¹³C: 227, ¹⁵N: 40 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
132	1	1	G	H1'	H	5.891	0.016	1
133	1	1	G	H2'	H	4.968	0.015	1
134	1	1	G	H3'	H	4.748	0.001	1
135	1	1	G	H4'	H	4.617	0.000	1
136	1	1	G	H5'	H	4.505	0.001	2
137	1	1	G	H5''	H	4.331	0.002	2
138	1	1	G	H8	H	8.190	0.006	1
139	1	1	G	C1'	C	91.746	0.141	1
140	1	1	G	C2'	C	75.026	0.034	1
141	1	1	G	C4	C	152.154	0.000	1
142	1	1	G	C5	C	118.422	0.000	1
143	1	1	G	C5'	C	67.020	0.007	1
144	1	1	G	C6	C	161.746	0.000	1
145	1	1	G	C8	C	138.856	0.018	1
146	1	1	G	N9	N	168.863	0.000	1
147	1	2	G	H1'	H	6.001	0.006	1
148	1	2	G	H2'	H	4.795	0.007	1
149	1	2	G	H3'	H	4.603	0.006	1
150	1	2	G	H5'	H	4.560	0.000	2
151	1	2	G	H5''	H	4.295	0.000	2
152	1	2	G	H8	H	7.589	0.006	1
153	1	2	G	C1'	C	92.639	0.042	1
154	1	2	G	C2'	C	75.439	0.051	1
155	1	2	G	C4	C	150.966	0.000	1
156	1	2	G	C5	C	118.675	0.000	1
157	1	2	G	C6	C	160.917	0.000	1
158	1	2	G	C8	C	136.586	0.022	1
159	1	2	G	N9	N	169.783	0.000	1
160	1	3	G	H1'	H	5.845	0.005	1
161	1	3	G	H2'	H	4.589	0.007	1
162	1	3	G	H3'	H	4.468	0.004	1
163	1	3	G	H5''	H	4.129	0.000	2
164	1	3	G	H8	H	7.235	0.004	1
165	1	3	G	C1'	C	93.137	0.022	1
166	1	3	G	C2'	C	75.174	0.000	1
167	1	3	G	C3'	C	72.625	0.062	1
168	1	3	G	C4'	C	81.937	0.000	1
169	1	3	G	C5'	C	65.332	0.000	1
170	1	3	G	C8	C	135.982	0.014	1
171	1	3	G	N9	N	169.141	0.000	1
172	1	4	U	H1'	H	5.636	0.003	1
173	1	4	U	H2'	H	4.612	0.007	1
174	1	4	U	H3'	H	4.509	0.000	1
175	1	4	U	H5	H	5.132	0.004	1
176	1	4	U	H5'	H	4.611	0.000	2
177	1	4	U	H5''	H	4.133	0.003	2
178	1	4	U	H6	H	7.769	0.007	1
179	1	4	U	C1'	C	93.732	0.028	1
180	1	4	U	C2'	C	75.087	0.000	1
181	1	4	U	C3'	C	71.693	0.000	1
182	1	4	U	C4'	C	81.975	0.000	1
183	1	4	U	C5	C	102.806	0.000	1
184	1	4	U	C5'	C	64.347	0.030	1
185	1	4	U	C6	C	141.527	0.041	1
186	1	4	U	N1	N	146.355	0.000	1
187	1	5	U	H1'	H	5.707	0.004	1
188	1	5	U	H2'	H	4.509	0.005	1
189	1	5	U	H3'	H	4.593	0.000	1
190	1	5	U	H4'	H	4.619	0.000	1
191	1	5	U	H5	H	5.634	0.004	1
192	1	5	U	H5'	H	4.582	0.000	2
193	1	5	U	H5''	H	4.178	0.002	2
194	1	5	U	H6	H	7.981	0.006	1
195	1	5	U	C1'	C	93.772	0.040	1
196	1	5	U	C2'	C	75.357	0.034	1
197	1	5	U	C3'	C	72.357	0.000	1
198	1	5	U	C4'	C	82.020	0.000	1
199	1	5	U	C5	C	103.478	0.000	1
200	1	5	U	C5'	C	64.980	0.022	1
201	1	5	U	C6	C	142.052	0.039	1
202	1	5	U	N1	N	146.480	0.000	1
203	1	6	U	H1'	H	5.681	0.005	1
204	1	6	U	H2'	H	4.453	0.006	1
205	1	6	U	H3'	H	4.619	0.003	1
206	1	6	U	H4'	H	4.514	0.002	1
207	1	6	U	H5	H	5.636	0.007	1
208	1	6	U	H5'	H	4.575	0.000	2
209	1	6	U	H5''	H	4.189	0.003	2
210	1	6	U	H6	H	7.905	0.004	1
211	1	6	U	C1'	C	92.845	0.039	1
212	1	6	U	C2'	C	75.501	0.026	1
213	1	6	U	C3'	C	72.930	0.000	1
214	1	6	U	C4'	C	82.464	0.025	1
215	1	6	U	C5	C	103.562	0.000	1
216	1	6	U	C5'	C	65.228	0.006	1
217	1	6	U	C6	C	141.998	0.042	1
218	1	6	U	N1	N	145.856	0.000	1
219	1	7	A	H1'	H	5.896	0.006	1
220	1	7	A	H2	H	7.353	0.010	1
221	1	7	A	H2'	H	4.489	0.009	1
222	1	7	A	H3'	H	4.607	0.010	1
223	1	7	A	H4'	H	4.553	0.000	1
224	1	7	A	H5''	H	4.216	0.003	2
225	1	7	A	H8	H	8.169	0.008	1
226	1	7	A	C1'	C	91.632	0.099	1
227	1	7	A	C2	C	152.793	0.000	1
228	1	7	A	C2'	C	75.998	0.013	1
229	1	7	A	C4	C	149.067	0.000	1
230	1	7	A	C4'	C	83.320	0.034	1
231	1	7	A	C5	C	120.321	0.000	1
232	1	7	A	C5'	C	66.084	0.000	1
233	1	7	A	C6	C	155.951	0.000	1
234	1	7	A	C8	C	140.469	0.022	1
235	1	7	A	N6	N	83.949	0.000	1
236	1	7	A	N9	N	170.510	0.000	1
237	1	8	U	H1'	H	5.492	0.011	1
238	1	8	U	H2'	H	4.456	0.008	1
239	1	8	U	H3'	H	4.617	0.002	1
240	1	8	U	H4'	H	4.489	0.000	1
241	1	8	U	H5	H	5.514	0.006	1
242	1	8	U	H5'	H	4.446	0.004	2
243	1	8	U	H5''	H	4.184	0.001	2
244	1	8	U	H6	H	7.664	0.005	1
245	1	8	U	C1'	C	92.153	0.054	1
246	1	8	U	C2'	C	74.913	0.072	1
247	1	8	U	C3'	C	73.356	0.000	1
248	1	8	U	C4'	C	82.868	0.012	1
249	1	8	U	C5	C	103.997	0.000	1
250	1	8	U	C5'	C	65.472	0.019	1
251	1	8	U	C6	C	141.796	0.041	1
252	1	8	U	N1	N	145.093	0.000	1
253	1	9	A	H1'	H	6.000	0.004	1
254	1	9	A	H2	H	7.240	0.010	1
255	1	9	A	H2'	H	4.563	0.005	1
256	1	9	A	H3'	H	4.684	0.004	1
257	1	9	A	H4'	H	4.561	0.001	1
258	1	9	A	H5''	H	4.271	0.002	2
259	1	9	A	H8	H	8.269	0.006	1
260	1	9	A	C1'	C	92.575	0.079	1
261	1	9	A	C2	C	153.068	0.002	1
262	1	9	A	C2'	C	75.303	0.036	1
263	1	9	A	C3'	C	72.826	0.210	1
264	1	9	A	C4	C	148.724	0.003	1
265	1	9	A	C4'	C	82.127	0.060	1
266	1	9	A	C5	C	120.515	0.023	1
267	1	9	A	C5'	C	65.887	0.000	1
268	1	9	A	C6	C	157.598	0.081	1
269	1	9	A	C8	C	140.089	0.020	1
270	1	9	A	N6	N	83.446	0.000	1
271	1	9	A	N9	N	170.987	0.000	1
272	1	10	C	H1'	H	5.398	0.008	1
273	1	10	C	H2'	H	4.232	0.006	1
274	1	10	C	H3'	H	4.376	0.001	1
275	1	10	C	H4'	H	4.422	0.001	1
276	1	10	C	H5	H	5.230	0.007	1
277	1	10	C	H5'	H	4.527	0.000	2
278	1	10	C	H5''	H	4.099	0.004	2
279	1	10	C	H6	H	7.537	0.005	1
280	1	10	C	C1'	C	93.537	0.055	1
281	1	10	C	C2'	C	75.476	0.003	1
282	1	10	C	C3'	C	71.894	0.000	1
283	1	10	C	C4	C	168.552	0.000	1
284	1	10	C	C4'	C	81.633	0.059	1
285	1	10	C	C5	C	97.089	0.000	1
286	1	10	C	C5'	C	64.665	0.021	1
287	1	10	C	C6	C	140.525	0.071	1
288	1	10	C	N1	N	151.036	0.000	1
289	1	10	C	N4	N	98.654	0.000	1
290	1	11	C	H1'	H	5.533	0.004	1
291	1	11	C	H2'	H	4.383	0.002	1
292	1	11	C	H3'	H	4.431	0.000	1
293	1	11	C	H4'	H	4.399	0.000	1
294	1	11	C	H5	H	5.425	0.005	1
295	1	11	C	H5'	H	4.547	0.000	2
296	1	11	C	H5''	H	4.079	0.002	2
297	1	11	C	H6	H	7.671	0.004	1
298	1	11	C	C1'	C	94.068	0.065	1
299	1	11	C	C2'	C	75.440	0.040	1
300	1	11	C	C3'	C	71.666	0.000	1
301	1	11	C	C4	C	168.284	0.000	1
302	1	11	C	C4'	C	81.820	0.063	1
303	1	11	C	C5	C	97.570	0.000	1
304	1	11	C	C5'	C	64.414	0.018	1
305	1	11	C	C6	C	141.042	0.022	1
306	1	11	C	N1	N	151.175	0.000	1
307	1	11	C	N4	N	98.051	0.000	1
308	1	12	U	H1'	H	5.780	0.008	1
309	1	12	U	H2'	H	4.366	0.006	1
310	1	12	U	H4'	H	4.449	0.004	1
311	1	12	U	H5	H	5.488	0.005	1
312	1	12	U	H5'	H	4.492	0.000	2
313	1	12	U	H5''	H	4.114	0.003	2
314	1	12	U	H6	H	7.731	0.004	1
315	1	12	U	C1'	C	92.295	0.057	1
316	1	12	U	C2'	C	75.780	0.000	1
317	1	12	U	C3'	C	73.712	0.000	1
318	1	12	U	C4'	C	82.903	0.019	1
319	1	12	U	C5	C	104.401	0.000	1
320	1	12	U	C5'	C	65.126	0.020	1
321	1	12	U	C6	C	141.449	0.043	1
322	1	12	U	N1	N	145.629	0.000	1
323	1	13	U	H1'	H	5.624	0.007	1
324	1	13	U	H2'	H	4.271	0.007	1
325	1	13	U	H4'	H	4.311	0.004	1
326	1	13	U	H5	H	5.800	0.009	1
327	1	13	U	H5'	H	4.345	0.003	2
328	1	13	U	H5''	H	4.095	0.005	2
329	1	13	U	H6	H	7.864	0.004	1
330	1	13	U	C1'	C	92.646	0.064	1
331	1	13	U	C2'	C	75.470	0.000	1
332	1	13	U	C3'	C	74.088	0.000	1
333	1	13	U	C4'	C	83.667	0.030	1
334	1	13	U	C5	C	104.688	0.071	1
335	1	13	U	C5'	C	65.667	0.049	1
336	1	13	U	C6	C	142.572	0.039	1
337	1	13	U	N1	N	145.474	0.000	1
338	1	14	C	H1'	H	5.704	0.007	1
339	1	14	C	H2'	H	4.317	0.002	1
340	1	14	C	H3'	H	4.366	0.002	1
341	1	14	C	H4'	H	4.277	0.004	1
342	1	14	C	H5	H	5.862	0.013	1
343	1	14	C	H5'	H	4.625	0.000	2
344	1	14	C	H5''	H	3.998	0.004	2
345	1	14	C	H6	H	7.861	0.003	1
346	1	14	C	C1'	C	92.229	0.027	1
347	1	14	C	C2'	C	75.802	0.000	1
348	1	14	C	C4'	C	83.641	0.016	1
349	1	14	C	C5	C	98.199	0.000	1
350	1	14	C	C5'	C	65.504	0.453	1
351	1	14	C	C6	C	142.964	0.042	1
352	1	14	C	N1	N	151.722	0.000	1
353	1	15	C	H1'	H	5.615	0.006	1
354	1	15	C	H2'	H	4.350	0.049	1
355	1	15	C	H3'	H	4.426	0.000	1
356	1	15	C	H4'	H	4.238	0.002	1
357	1	15	C	H5	H	5.628	0.013	1
358	1	15	C	H5''	H	4.020	0.002	2
359	1	15	C	H6	H	7.636	0.005	1
360	1	15	C	C1'	C	92.302	0.090	1
361	1	15	C	C2'	C	76.153	0.002	1
362	1	15	C	C3'	C	74.469	0.000	1
363	1	15	C	C4'	C	83.318	0.042	1
364	1	15	C	C5	C	98.185	0.000	1
365	1	15	C	C5'	C	65.849	0.077	1
366	1	15	C	C6	C	141.875	0.059	1
367	1	15	C	N1	N	152.158	0.000	1
368	1	16	C	H1'	H	5.770	0.010	1
369	1	16	C	H2'	H	4.542	0.003	1
370	1	16	C	H3'	H	4.450	0.004	1
371	1	16	C	H4'	H	4.598	0.005	1
372	1	16	C	H5	H	5.681	0.015	1
373	1	16	C	H5'	H	4.390	0.000	1
374	1	16	C	H5''	H	4.160	0.004	1
375	1	16	C	H6	H	7.804	0.010	1
376	1	16	C	C1'	C	92.171	0.301	1
377	1	16	C	C3'	C	74.042	0.000	1
378	1	16	C	C4'	C	83.003	0.089	1
379	1	16	C	C5	C	98.323	0.000	1
380	1	16	C	C5'	C	66.189	0.049	1
381	1	16	C	C6	C	142.035	0.000	1
382	1	17	A	H1'	H	5.864	0.030	1
383	1	17	A	H2	H	7.835	0.006	1
384	1	17	A	H2'	H	4.837	0.088	1
385	1	17	A	H3'	H	4.578	0.001	1
386	1	17	A	H4'	H	4.583	0.000	1
387	1	17	A	H5'	H	4.422	0.001	2
388	1	17	A	H5''	H	4.322	0.003	2
389	1	17	A	H8	H	8.308	0.007	1
390	1	17	A	C1'	C	92.260	0.099	1
391	1	17	A	C2	C	153.554	0.051	1
392	1	17	A	C2'	C	75.465	0.122	1
393	1	17	A	C3'	C	74.267	0.000	1
394	1	17	A	C4	C	148.879	0.000	1
395	1	17	A	C4'	C	82.686	0.043	1
396	1	17	A	C5	C	121.104	0.065	1
397	1	17	A	C5'	C	67.376	0.004	1
398	1	17	A	C6	C	157.354	0.083	1
399	1	17	A	C8	C	140.566	0.016	1
400	1	17	A	N6	N	80.805	0.000	1
401	1	17	A	N9	N	170.432	0.000	1
402	1	18	G	H1'	H	5.657	0.011	1
403	1	18	G	H2'	H	4.720	0.007	1
404	1	18	G	H3'	H	4.432	0.000	1
405	1	18	G	H5'	H	4.457	0.006	2
406	1	18	G	H5''	H	4.171	0.007	2
407	1	18	G	H8	H	7.283	0.012	1
408	1	18	G	C1'	C	92.626	0.031	1
409	1	18	G	C2'	C	75.217	0.030	1
410	1	18	G	C3'	C	73.051	0.000	1
411	1	18	G	C4	C	150.807	0.000	1
412	1	18	G	C4'	C	81.974	0.000	1
413	1	18	G	C5	C	118.870	0.000	1
414	1	18	G	C5'	C	66.514	0.017	1
415	1	18	G	C6	C	161.015	0.000	1
416	1	18	G	C8	C	136.154	0.018	1
417	1	18	G	N9	N	169.440	0.000	1
418	1	19	G	H1'	H	5.844	0.005	1
419	1	19	G	H2'	H	4.535	0.008	1
420	1	19	G	H3'	H	4.492	0.002	1
421	1	19	G	H5''	H	4.114	0.000	2
422	1	19	G	H8	H	7.253	0.003	1
423	1	19	G	C1'	C	93.108	0.004	1
424	1	19	G	C4	C	151.385	0.000	1
425	1	19	G	C5	C	118.863	0.000	1
426	1	19	G	C6	C	161.079	0.000	1
427	1	19	G	C8	C	136.023	0.010	1
428	1	20	U	H1'	H	5.592	0.005	1
429	1	20	U	H2'	H	4.521	0.003	1
430	1	20	U	H3'	H	4.578	0.005	1
431	1	20	U	H4'	H	4.478	0.002	1
432	1	20	U	H5	H	5.152	0.005	1
433	1	20	U	H5'	H	4.591	0.000	2
434	1	20	U	H5''	H	4.139	0.004	2
435	1	20	U	H6	H	7.688	0.003	1
436	1	20	U	C1'	C	93.297	0.028	1
437	1	20	U	C2'	C	75.347	0.014	1
438	1	20	U	C3'	C	72.101	0.000	1
439	1	20	U	C4'	C	82.156	0.044	1
440	1	20	U	C5	C	102.738	0.000	1
441	1	20	U	C5'	C	64.461	0.023	1
442	1	20	U	C6	C	141.066	0.042	1
443	1	20	U	N1	N	145.830	0.000	1
444	1	21	A	H1'	H	5.953	0.007	1
445	1	21	A	H2	H	6.917	0.023	1
446	1	21	A	H2'	H	4.480	0.012	1
447	1	21	A	H3'	H	4.676	0.005	1
448	1	21	A	H5'	H	4.492	0.000	2
449	1	21	A	H5''	H	4.207	0.006	2
450	1	21	A	H8	H	8.090	0.011	1
451	1	21	A	C1'	C	91.935	0.074	1
452	1	21	A	C2	C	153.007	0.006	1
453	1	21	A	C2'	C	75.926	0.000	1
454	1	21	A	C3'	C	73.788	0.000	1
455	1	21	A	C4	C	148.968	0.003	1
456	1	21	A	C4'	C	83.049	0.050	1
457	1	21	A	C5	C	120.307	0.026	1
458	1	21	A	C5'	C	66.037	0.020	1
459	1	21	A	C6	C	157.057	0.093	1
460	1	21	A	C8	C	139.914	0.016	1
461	1	21	A	N6	N	81.621	0.000	1
462	1	21	A	N9	N	169.664	0.000	1
463	1	22	A	H1'	H	5.660	0.013	1
464	1	22	A	H2	H	7.715	0.017	1
465	1	22	A	H2'	H	4.493	0.013	1
466	1	22	A	H3'	H	4.615	0.001	1
467	1	22	A	H4'	H	4.462	0.001	1
468	1	22	A	H5'	H	4.394	0.005	2
469	1	22	A	H5''	H	4.172	0.009	2
470	1	22	A	H8	H	7.928	0.017	1
471	1	22	A	C1'	C	90.690	0.043	1
472	1	22	A	C2	C	154.461	0.009	1
473	1	22	A	C2'	C	75.643	0.000	1
474	1	22	A	C3'	C	74.919	0.000	1
475	1	22	A	C4	C	149.302	0.007	1
476	1	22	A	C4'	C	83.818	0.038	1
477	1	22	A	C5	C	120.173	0.053	1
478	1	22	A	C5'	C	66.370	0.090	1
479	1	22	A	C6	C	156.807	0.095	1
480	1	22	A	C8	C	140.116	0.015	1
481	1	22	A	N6	N	80.238	0.000	1
482	1	22	A	N9	N	168.367	0.000	1
483	1	23	C	H1'	H	5.733	0.003	1
484	1	23	C	H2'	H	4.325	0.016	1
485	1	23	C	H3'	H	4.590	0.001	1
486	1	23	C	H4'	H	4.494	0.001	1
487	1	23	C	H5	H	5.602	0.009	1
488	1	23	C	H5''	H	4.186	0.001	2
489	1	23	C	H6	H	7.640	0.004	1
490	1	23	C	C1'	C	92.006	0.025	1
491	1	23	C	C2'	C	75.740	0.058	1
492	1	23	C	C3'	C	74.832	0.000	1
493	1	23	C	C4'	C	83.563	0.068	1
494	1	23	C	C5	C	98.282	0.000	1
495	1	23	C	C5'	C	65.860	0.128	1
496	1	23	C	C6	C	142.114	0.042	1
497	1	23	C	N1	N	150.717	0.000	1
498	1	24	A	H1'	H	5.903	0.005	1
499	1	24	A	H2	H	6.738	0.007	1
500	1	24	A	H2'	H	4.778	0.008	1
501	1	24	A	H3'	H	4.739	0.004	1
502	1	24	A	H4'	H	4.454	0.001	1
503	1	24	A	H5'	H	4.454	0.000	2
504	1	24	A	H5''	H	4.259	0.003	2
505	1	24	A	H8	H	8.298	0.011	1
506	1	24	A	C1'	C	91.612	0.038	1
507	1	24	A	C2	C	151.922	0.012	1
508	1	24	A	C2'	C	75.026	0.554	1
509	1	24	A	C3'	C	74.310	0.000	1
510	1	24	A	C4	C	148.764	0.000	1
511	1	24	A	C4'	C	82.771	0.011	1
512	1	24	A	C5	C	120.635	0.012	1
513	1	24	A	C5'	C	66.736	0.083	1
514	1	24	A	C6	C	157.092	0.065	1
515	1	24	A	C8	C	141.024	0.136	1
516	1	24	A	N6	N	81.700	0.000	1
517	1	24	A	N9	N	169.340	0.000	1
518	1	25	A	H1'	H	5.877	0.006	1
519	1	25	A	H2	H	7.162	0.010	1
520	1	25	A	H2'	H	4.551	0.013	1
521	1	25	A	H3'	H	4.685	0.001	1
522	1	25	A	H4'	H	4.592	0.006	1
523	1	25	A	H8	H	7.870	0.009	1
524	1	25	A	C1'	C	92.489	0.041	1
525	1	25	A	C2	C	152.597	0.002	1
526	1	25	A	C2'	C	75.435	0.056	1
527	1	25	A	C3'	C	73.089	0.000	1
528	1	25	A	C4	C	148.118	0.119	1
529	1	25	A	C4'	C	82.169	0.065	1
530	1	25	A	C5	C	120.332	0.105	1
531	1	25	A	C5'	C	65.911	0.000	1
532	1	25	A	C6	C	157.275	0.116	1
533	1	25	A	C8	C	139.094	0.268	1
534	1	25	A	N6	N	83.396	0.000	1
535	1	25	A	N9	N	170.170	0.000	1
536	1	26	A	H1'	H	5.966	0.005	1
537	1	26	A	H2	H	7.833	0.011	1
538	1	26	A	H2'	H	4.497	0.004	1
539	1	26	A	H3'	H	4.644	0.006	1
540	1	26	A	H4'	H	4.534	0.005	1
541	1	26	A	H5'	H	4.626	0.000	2
542	1	26	A	H5''	H	4.184	0.000	2
543	1	26	A	H8	H	7.870	0.008	1
544	1	26	A	C1'	C	92.355	0.068	1
545	1	26	A	C2	C	153.841	0.072	1
546	1	26	A	C2'	C	75.495	0.020	1
547	1	26	A	C3'	C	72.357	0.221	1
548	1	26	A	C4	C	148.127	0.120	1
549	1	26	A	C4'	C	81.700	0.065	1
550	1	26	A	C5	C	120.312	0.142	1
551	1	26	A	C5'	C	64.831	0.026	1
552	1	26	A	C6	C	157.424	0.221	1
553	1	26	A	C8	C	139.355	0.286	1
554	1	26	A	N6	N	84.973	0.000	1
555	1	26	A	N9	N	171.020	0.000	1
556	1	27	C	H1'	H	5.422	0.005	1
557	1	27	C	H2'	H	4.258	0.003	1
558	1	27	C	H3'	H	4.382	0.002	1
559	1	27	C	H4'	H	4.432	0.002	1
560	1	27	C	H5	H	5.217	0.006	1
561	1	27	C	H5'	H	4.531	0.000	2
562	1	27	C	H5''	H	4.080	0.004	2
563	1	27	C	H6	H	7.519	0.004	1
564	1	27	C	C1'	C	93.552	0.043	1
565	1	27	C	C2'	C	75.472	0.026	1
566	1	27	C	C3'	C	72.018	0.102	1
567	1	27	C	C4	C	168.539	0.000	1
568	1	27	C	C4'	C	81.618	0.055	1
569	1	27	C	C5	C	97.089	0.000	1
570	1	27	C	C5'	C	64.557	0.006	1
571	1	27	C	C6	C	140.392	0.016	1
572	1	27	C	N1	N	150.930	0.000	1
573	1	27	C	N4	N	98.502	0.000	1
574	1	28	C	H1'	H	5.565	0.003	1
575	1	28	C	H2'	H	4.256	0.003	1
576	1	28	C	H3'	H	4.508	0.002	1
577	1	28	C	H4'	H	4.401	0.000	1
578	1	28	C	H5	H	5.477	0.004	1
579	1	28	C	H5'	H	4.587	0.000	2
580	1	28	C	H5''	H	4.072	0.003	2
581	1	28	C	H6	H	7.786	0.003	1
582	1	28	C	C1'	C	94.467	0.028	1
583	1	28	C	C2'	C	75.525	0.006	1
584	1	28	C	C3'	C	72.153	0.000	1
585	1	28	C	C4	C	168.284	0.000	1
586	1	28	C	C4'	C	81.931	0.054	1
587	1	28	C	C5	C	97.486	0.000	1
588	1	28	C	C5'	C	64.301	0.024	1
589	1	28	C	C6	C	141.315	0.041	1
590	1	28	C	N1	N	151.287	0.000	1
591	1	28	C	N4	N	97.906	0.000	1
592	1	29	C	H1'	H	6.159	0.005	1
593	1	29	C	H2'	H	4.683	0.004	1
594	1	29	C	H3'	H	5.003	0.002	1
595	1	29	C	H4'	H	4.473	0.003	1
596	1	29	C	H5	H	5.560	0.005	1
597	1	29	C	H5'	H	4.266	0.010	2
598	1	29	C	H5''	H	4.148	0.006	2
599	1	29	C	H6	H	7.544	0.004	1
600	1	29	C	C1'	C	91.796	0.110	1
601	1	29	C	C2'	C	84.982	0.046	1
602	1	29	C	C3'	C	77.692	0.121	1
603	1	29	C	C4	C	167.567	0.000	1
604	1	29	C	C4'	C	85.373	0.064	1
605	1	29	C	C5	C	98.832	0.000	1
606	1	29	C	C5'	C	65.555	0.013	1
607	1	29	C	C6	C	141.560	0.043	1
608	1	29	C	N1	N	150.067	0.000	1
609	1	29	C	N4	N	98.640	0.000	1

Chemical Shifts 2

¹H: 47, ¹³C: 18, ¹⁵N: 66 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	G	H1	H	12.800	0.004	1
2	1	1	G	H8	H	8.185	0.002	1
3	1	1	G	C2	C	156.616	0.000	1
4	1	1	G	C6	C	160.921	0.000	1
5	1	1	G	N1	N	147.298	0.000	1
6	1	1	G	N7	N	231.339	0.000	1
7	1	1	G	N9	N	169.232	0.000	1
8	1	2	G	H1	H	12.891	0.007	1
9	1	2	G	H8	H	7.563	0.000	1
10	1	2	G	C2	C	156.660	0.000	1
11	1	2	G	C6	C	160.681	0.000	1
12	1	2	G	N1	N	147.614	0.092	1
13	1	2	G	N2	N	74.259	0.000	1
14	1	2	G	N7	N	233.773	0.000	1
15	1	2	G	N9	N	169.928	0.000	1
16	1	3	G	H1	H	13.301	0.008	1
17	1	3	G	H8	H	7.216	0.001	1
18	1	3	G	C2	C	156.990	0.000	1
19	1	3	G	C6	C	160.795	0.000	1
20	1	3	G	N1	N	148.574	0.039	1
21	1	3	G	N2	N	74.761	0.000	1
22	1	3	G	N7	N	234.768	0.000	1
23	1	3	G	N9	N	169.207	0.000	1
24	1	4	U	H3	H	14.312	0.005	1
25	1	4	U	C2	C	154.116	0.000	1
26	1	4	U	C4	C	166.263	0.000	1
27	1	4	U	N1	N	146.056	0.000	1
28	1	4	U	N3	N	162.441	0.010	1
29	1	5	U	H3	H	13.806	0.008	1
30	1	5	U	C2	C	154.062	0.000	1
31	1	5	U	C4	C	166.268	0.000	1
32	1	5	U	N1	N	146.324	0.000	1
33	1	5	U	N3	N	162.617	0.029	1
34	1	6	U	H3	H	13.098	0.008	1
35	1	6	U	C2	C	153.854	0.000	1
36	1	6	U	C4	C	166.161	0.000	1
37	1	6	U	N3	N	161.801	0.015	1
38	1	7	A	H2	H	7.357	0.000	1
39	1	7	A	H8	H	8.180	0.000	1
40	1	7	A	N1	N	216.136	0.000	1
41	1	7	A	N7	N	233.283	0.000	1
42	1	7	A	N9	N	171.613	0.000	1
43	1	9	A	H2	H	7.178	0.001	1
44	1	9	A	H8	H	8.246	0.001	1
45	1	9	A	N1	N	222.381	0.346	1
46	1	9	A	N3	N	211.997	0.000	1
47	1	9	A	N6	N	84.061	0.013	1
48	1	9	A	N7	N	229.692	0.000	1
49	1	9	A	N9	N	171.221	0.000	1
50	1	10	C	H6	H	7.519	0.000	1
51	1	10	C	H41	H	8.405	0.000	2
52	1	10	C	H42	H	6.984	0.001	2
53	1	10	C	N3	N	197.231	0.000	1
54	1	10	C	N4	N	98.974	0.019	1
55	1	11	C	H6	H	7.639	0.000	1
56	1	11	C	H41	H	8.446	0.000	2
57	1	11	C	H42	H	6.911	0.001	2
58	1	11	C	N3	N	195.822	0.000	1
59	1	11	C	N4	N	98.378	0.005	1
60	1	17	A	H2	H	7.840	0.000	1
61	1	17	A	H8	H	8.294	0.001	1
62	1	17	A	N1	N	222.722	0.000	1
63	1	17	A	N3	N	214.501	0.000	1
64	1	17	A	N7	N	230.846	0.000	1
65	1	17	A	N9	N	170.700	0.000	1
66	1	18	G	H1	H	12.778	0.008	1
67	1	18	G	H8	H	7.224	0.000	1
68	1	18	G	C2	C	156.617	0.000	1
69	1	18	G	C6	C	160.828	0.000	1
70	1	18	G	N1	N	147.557	0.021	1
71	1	18	G	N2	N	74.861	0.000	1
72	1	18	G	N7	N	233.677	0.000	1
73	1	19	G	H1	H	13.225	0.011	1
74	1	19	G	H8	H	7.244	0.002	1
75	1	19	G	C2	C	156.979	0.000	1
76	1	19	G	C6	C	160.665	0.000	1
77	1	19	G	N1	N	148.313	0.015	1
78	1	19	G	N2	N	74.650	0.000	1
79	1	19	G	N7	N	234.359	0.000	1
80	1	19	G	N9	N	169.352	0.000	1
81	1	20	U	H3	H	13.461	0.006	1
82	1	20	U	C2	C	153.806	0.000	1
83	1	20	U	C4	C	166.342	0.000	1
84	1	20	U	N3	N	161.627	0.008	1
85	1	21	A	H2	H	6.878	0.000	1
86	1	21	A	H8	H	8.096	0.000	1
87	1	21	A	N1	N	223.186	0.000	1
88	1	21	A	N3	N	213.742	0.000	1
89	1	21	A	N7	N	231.882	0.000	1
90	1	21	A	N9	N	169.828	0.000	1
91	1	22	A	H2	H	7.709	0.000	1
92	1	22	A	H8	H	7.928	0.000	1
93	1	22	A	N1	N	225.633	0.000	1
94	1	22	A	N3	N	214.935	0.000	1
95	1	22	A	N7	N	231.272	0.000	1
96	1	22	A	N9	N	168.641	0.000	1
97	1	24	A	H2	H	6.639	0.000	1
98	1	24	A	H8	H	8.298	0.000	1
99	1	24	A	H61	H	7.496	0.000	2
100	1	24	A	H62	H	6.652	0.005	2
101	1	24	A	N1	N	220.739	0.401	1
102	1	24	A	N3	N	212.932	0.000	1
103	1	24	A	N6	N	82.162	0.071	1
104	1	24	A	N9	N	169.274	0.000	1
105	1	25	A	H2	H	7.111	0.001	1
106	1	25	A	H8	H	7.879	0.000	1
107	1	25	A	H61	H	7.938	0.007	2
108	1	25	A	H62	H	6.634	0.000	2
109	1	25	A	N1	N	220.296	0.345	1
110	1	25	A	N3	N	211.419	0.000	1
111	1	25	A	N6	N	84.015	0.014	1
112	1	25	A	N7	N	229.655	0.000	1
113	1	25	A	N9	N	170.300	0.000	1
114	1	26	A	H2	H	7.791	0.004	1
115	1	26	A	H8	H	7.879	0.000	1
116	1	26	A	H61	H	8.241	0.000	2
117	1	26	A	H62	H	6.675	0.000	2
118	1	26	A	N1	N	221.811	0.340	1
119	1	26	A	N3	N	211.122	0.000	1
120	1	26	A	N6	N	85.655	0.011	1
121	1	26	A	N7	N	229.878	0.000	1
122	1	26	A	N9	N	171.262	0.000	1
123	1	27	C	H41	H	8.451	0.002	2
124	1	27	C	H42	H	7.016	0.002	2
125	1	27	C	N3	N	197.176	0.000	1
126	1	27	C	N4	N	99.077	0.000	1
127	1	28	C	H6	H	7.771	0.000	1
128	1	28	C	H41	H	8.505	0.000	2
129	1	28	C	N3	N	196.724	0.000	1
130	1	28	C	N4	N	98.335	0.009	1
131	1	29	C	H42	H	7.140	0.000	2

Release date

2024-03-20

Citation

The 5'-terminal stem-loop RNA element of SARS-CoV-2 features highly dynamic structural elements that are sensitive to differences in cellular pH
Toews, S., Wacker, A., Faison, E.M., Duchardt-Ferner, E., Richter, C., Mathieu, D., Bottaro, S., Zhang, Q., Schwalbe, H.
Nucleic Acids Res. (2024), PubMed 38842942 , DOI 10.1093/nar/gkae477 , Abstract

Related entities 1. RNA (29-MER), : 1 entities Detail

Experiments performed 17 experiments Detail

1 1H-JR[15N]

Instrument

Bruker Bruker Avance III HD 700 MHz - 700 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 283 K, pH 6.2 (±0.1), Details 150 uM [U-15N] 5_SL1 15N, 25 mM potassium phosphate, 50 mM KCl, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
1	5_SL1 15N	[U-15N]	150 uM
2	potassium phosphate	natural abundance	25 mM
3	KCl	natural abundance	50 mM

2 NOESY[15N]-Imino

Instrument

Bruker Bruker Avance III HD 800 MHz - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	5_SL1 15N	[U-15N]	150 uM
2	potassium phosphate	natural abundance	25 mM
3	KCl	natural abundance	50 mM

3 HSQC[15N]-Amino

Instrument

Bruker Bruker Avance III HD 700 MHz - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	5_SL1 15N	[U-15N]	150 uM
2	potassium phosphate	natural abundance	25 mM
3	KCl	natural abundance	50 mM

4 HSQC[15N]-2J

Instrument

Bruker Bruker Avance III HD 700 MHz - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	5_SL1 15N	[U-15N]	150 uM
2	potassium phosphate	natural abundance	25 mM
3	KCl	natural abundance	50 mM

5 TROSY[15N]

Instrument

Bruker Bruker Avance III HD 700 MHz - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	5_SL1 15N	[U-15N]	150 uM
2	potassium phosphate	natural abundance	25 mM
3	KCl	natural abundance	50 mM

6 HSQC[13C]-Aromaten

Instrument

Bruker Bruker Avance III HD 700 MHz - 700 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.2 (±0.1), Details 400 uM [U-13C; U-15N] 5_SL1 15N, 25 mM potassium phosphate, 50 mM KCl, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
4	5_SL1 15N	[U-13C; U-15N]	400 uM
5	potassium phosphate	natural abundance	25 mM
6	KCl	natural abundance	50 mM

7 TOCSY

Instrument

Bruker Bruker Avance I 600 MHz - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	5_SL1 15N	[U-13C; U-15N]	400 uM
5	potassium phosphate	natural abundance	25 mM
6	KCl	natural abundance	50 mM

8 NOESY-JR[15N]-Amino

Instrument

Bruker Bruker Avance III HD 800 MHz - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
4	5_SL1 15N	[U-13C; U-15N]	400 uM
5	potassium phosphate	natural abundance	25 mM
6	KCl	natural abundance	50 mM

9 TROSY[15N]

Instrument

Bruker Bruker Avance III HD 700 MHz - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
4	5_SL1 15N	[U-13C; U-15N]	400 uM
5	potassium phosphate	natural abundance	25 mM
6	KCl	natural abundance	50 mM

10 HSQC[15N]-2J

Instrument

Bruker Bruker Avance III HD 700 MHz - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
4	5_SL1 15N	[U-13C; U-15N]	400 uM
5	potassium phosphate	natural abundance	25 mM
6	KCl	natural abundance	50 mM

11 HSQC[15N]-Amino

Instrument

Bruker Bruker Avance III HD 800 MHz - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
4	5_SL1 15N	[U-13C; U-15N]	400 uM
5	potassium phosphate	natural abundance	25 mM
6	KCl	natural abundance	50 mM

12 NOESY[15N]-Imino

Instrument

Bruker Bruker Avance III HD 700 MHz - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
4	5_SL1 15N	[U-13C; U-15N]	400 uM
5	potassium phosphate	natural abundance	25 mM
6	KCl	natural abundance	50 mM

13 1H-JR[15N]

Instrument

Bruker Bruker Avance III HD 700 MHz - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
4	5_SL1 15N	[U-13C; U-15N]	400 uM
5	potassium phosphate	natural abundance	25 mM
6	KCl	natural abundance	50 mM

14 HSQC[13C]-Aromaten

Instrument

Bruker Bruker Avance III HD 700 MHz - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
4	5_SL1 15N	[U-13C; U-15N]	400 uM
5	potassium phosphate	natural abundance	25 mM
6	KCl	natural abundance	50 mM

15 TOCSY

Instrument

Bruker Bruker Avance III HD 700 MHz - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	5_SL1 15N	[U-15N]	150 uM
2	potassium phosphate	natural abundance	25 mM
3	KCl	natural abundance	50 mM

16 NOESY-JR[15N]-Amino

Instrument

Bruker Bruker Avance III HD 700 MHz - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	5_SL1 15N	[U-15N]	150 uM
2	potassium phosphate	natural abundance	25 mM
3	KCl	natural abundance	50 mM

17 HSQC[13C]-Aromaten

Instrument

Bruker Bruker Avance I 600 MHz - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.2 (±1.5), Details 400 uM A,C-13C, U-15N 5_SL1 15N, 25 mM potassium phosphate, 50 mM KCl, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
7	5_SL1 15N	A,C-13C, U-15N	400 uM
8	potassium phosphate	natural abundance	25 mM
9	KCl	natural abundance	50 mM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34909_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: bmr34909_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	131	75.9 (chain: 1, length: 29)
2	Assigned chemical shifts	assigned_chemical_shifts_2	Warning	478	100.0 (chain: 1, length: 29)
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: 29, Sequence coverage: 75.9%

--------10--------20---------
GGGUUUAUACCUUCCCAGGUAACAAACCC
||||||| |||     |||||| ||||||
GGGUUUA.ACC.....AGGUAA.AAACCC

Total number of assignments
- ¹H chemical shifts: 47
- ¹³C chemical shifts: 18
- ¹⁵N chemical shifts: 66

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
1	G	C2	156.616
1	G	C6	160.921
1	G	N7	231.339
1	G	N9	169.232
2	G	C2	156.66
2	G	C6	160.681
2	G	N2	74.259
2	G	N7	233.773
2	G	N9	169.928
3	G	C2	156.99
3	G	C6	160.795
3	G	N2	74.761
3	G	N7	234.768
3	G	N9	169.207
4	U	C2	154.116
4	U	C4	166.263
4	U	N1	146.056
5	U	C2	154.062
5	U	C4	166.268
5	U	N1	146.324
6	U	C2	153.854
6	U	C4	166.161
7	A	N1	216.136
7	A	N7	233.283
7	A	N9	171.613
9	A	N1	222.381
9	A	N3	211.997
9	A	N6	84.061
9	A	N7	229.692
9	A	N9	171.221
10	C	N3	197.231
10	C	N4	98.974
11	C	N3	195.822
11	C	N4	98.378
17	A	N1	222.722
17	A	N3	214.501
17	A	N7	230.846
17	A	N9	170.7
18	G	C2	156.617
18	G	C6	160.828
18	G	N2	74.861
18	G	N7	233.677
19	G	C2	156.979
19	G	C6	160.665
19	G	N2	74.65
19	G	N7	234.359
19	G	N9	169.352
20	U	C2	153.806
20	U	C4	166.342
21	A	N1	223.186
21	A	N3	213.742
21	A	N7	231.882
21	A	N9	169.828
22	A	N1	225.633
22	A	N3	214.935
22	A	N7	231.272
22	A	N9	168.641
24	A	H61	7.496
24	A	H62	6.652
24	A	N1	220.739
24	A	N3	212.932
24	A	N6	82.162
24	A	N9	169.274
25	A	H61	7.938
25	A	H62	6.634
25	A	N1	220.296
25	A	N3	211.419
25	A	N6	84.015
25	A	N7	229.655
25	A	N9	170.3
26	A	H61	8.241
26	A	H62	6.675
26	A	N1	221.811
26	A	N3	211.122
26	A	N6	85.655
26	A	N7	229.878
26	A	N9	171.262
27	C	N3	197.176
27	C	N4	99.077
28	C	N3	196.724
28	C	N4	98.335

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	248	41	16.5
¹³C chemical shifts	198	0	0.0
¹⁵N chemical shifts	12	9	75.0

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	160	0	0.0
¹³C chemical shifts	145	0	0.0

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	88	41	46.6
¹³C chemical shifts	53	0	0.0
¹⁵N chemical shifts	12	9	75.0

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	21	100.0
¹³C chemical shifts	21	0	0.0

Histogram of normalized assigned chemical shifts

Saveframe: assigned_chemical_shifts_2

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: 1, Chain length: 29, Sequence coverage: 100.0%

--------10--------20---------
GGGUUUAUACCUUCCCAGGUAACAAACCC
|||||||||||||||||||||||||||||
GGGUUUAUACCUUCCCAGGUAACAAACCC

Total number of assignments
- ¹H chemical shifts: 211
- ¹³C chemical shifts: 227
- ¹⁵N chemical shifts: 40

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
1	G	C4	152.154
1	G	C5	118.422
1	G	C6	161.746
1	G	N9	168.863
2	G	C4	150.966
2	G	C5	118.675
2	G	C6	160.917
2	G	N9	169.783
3	G	N9	169.141
4	U	N1	146.355
5	U	N1	146.48
6	U	N1	145.856
7	A	C4	149.067
7	A	C5	120.321
7	A	C6	155.951
7	A	N6	83.949
7	A	N9	170.51
8	U	N1	145.093
9	A	C4	148.724
9	A	C5	120.515
9	A	C6	157.598
9	A	N6	83.446
9	A	N9	170.987
10	C	C4	168.552
10	C	N1	151.036
10	C	N4	98.654
11	C	C4	168.284
11	C	N1	151.175
11	C	N4	98.051
12	U	N1	145.629
13	U	N1	145.474
14	C	N1	151.722
15	C	N1	152.158
17	A	C4	148.879
17	A	C5	121.104
17	A	C6	157.354
17	A	N6	80.805
17	A	N9	170.432
18	G	C4	150.807
18	G	C5	118.87
18	G	C6	161.015
18	G	N9	169.44
19	G	C4	151.385
19	G	C5	118.863
19	G	C6	161.079
20	U	N1	145.83
21	A	C4	148.968
21	A	C5	120.307
21	A	C6	157.057
21	A	N6	81.621
21	A	N9	169.664
22	A	C4	149.302
22	A	C5	120.173
22	A	C6	156.807
22	A	N6	80.238
22	A	N9	168.367
23	C	N1	150.717
24	A	C4	148.764
24	A	C5	120.635
24	A	C6	157.092
24	A	N6	81.7
24	A	N9	169.34
25	A	C4	148.118
25	A	C5	120.332
25	A	C6	157.275
25	A	N6	83.396
25	A	N9	170.17
26	A	C4	148.127
26	A	C5	120.312
26	A	C6	157.424
26	A	N6	84.973
26	A	N9	171.02
27	C	C4	168.539
27	C	N1	150.93
27	C	N4	98.502
28	C	C4	168.284
28	C	N1	151.287
28	C	N4	97.906
29	C	C4	167.567
29	C	N1	150.067
29	C	N4	98.64

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	248	197	79.4
¹³C chemical shifts	198	186	93.9
¹⁵N chemical shifts	12	0	0.0

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	160	144	90.0
¹³C chemical shifts	145	133	91.7

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	88	53	60.2
¹³C chemical shifts	53	53	100.0
¹⁵N chemical shifts	12	0	0.0

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	21	100.0
¹³C chemical shifts	21	21	100.0

Histogram of normalized assigned chemical shifts

Keywords PkA shift, RNA, adenosine protonation, conformational dynamics, solution structure

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.607 seconds)

BMRB: 34909

Related entities 1. RNA (29-MER), : 1 entities Detail

Experiments performed 17 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 4 contents Detail