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BMRB: 52045

1H, 13C, 15N and 31P chemical shift assignment of poly(UG) fold RNA

Authors

Escobar, C.A., Petersen, R.J., Tonelli, M., Butcher, S.E.

Assembly

(GU)12 RNA

Entity

1. (GU)12 RNA (polymer, Thiol state: not present), 24 monomers, 7834.473 Da Detail

GUGUGUGUGU GUGUGUGUGU GUGU

Formula weight

7834.473 Da

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemical Shifts 1

¹H: 220, ¹³C: 192, ¹⁵N: 72, ³¹P: 23 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Ambig. code
1	1	1	G	H1	H	11.917	1
2	1	1	G	H1'	H	5.912	1
3	1	1	G	H2'	H	4.727	1
4	1	1	G	H3'	H	4.707	1
5	1	1	G	H4'	H	4.623	1
6	1	1	G	H5'	H	3.938	2
7	1	1	G	H5''	H	3.939	2
8	1	1	G	H8	H	7.612	1
9	1	1	G	H21	H	9.253	2
10	1	1	G	H22	H	7.066	2
11	1	1	G	C1'	C	89.661	1
12	1	1	G	C2	C	155.916	1
13	1	1	G	C2'	C	72.075	1
14	1	1	G	C3'	C	75.652	1
15	1	1	G	C4'	C	85.704	1
16	1	1	G	C5'	C	62.651	1
17	1	1	G	C6	C	162.368	1
18	1	1	G	C8	C	140.321	1
19	1	1	G	N1	N	143.722	1
20	1	1	G	N2	N	81.261	1
21	1	1	G	N7	N	230.152	1
22	1	1	G	N9	N	164.022	1
23	1	2	U	H1'	H	6.271	1
24	1	2	U	H2'	H	4.573	1
25	1	2	U	H3'	H	4.753	1
26	1	2	U	H4'	H	4.667	1
27	1	2	U	H5	H	6.034	1
28	1	2	U	H5'	H	4.468	2
29	1	2	U	H5''	H	4.148	2
30	1	2	U	H6	H	8.028	1
31	1	2	U	C1'	C	86.227	1
32	1	2	U	C2	C	152.351	1
33	1	2	U	C2'	C	72.858	1
34	1	2	U	C3'	C	75.470	1
35	1	2	U	C4'	C	84.825	1
36	1	2	U	C5	C	103.341	1
37	1	2	U	C5'	C	66.085	1
38	1	2	U	C6	C	141.338	1
39	1	2	U	N1	N	143.318	1
40	1	2	U	N3	N	158.289	1
41	1	2	U	P	P	0.620	1
42	1	3	G	H1	H	11.318	1
43	1	3	G	H1'	H	6.011	1
44	1	3	G	H2'	H	4.478	1
45	1	3	G	H3'	H	5.499	1
46	1	3	G	H4'	H	4.839	1
47	1	3	G	H5'	H	4.603	2
48	1	3	G	H5''	H	4.328	2
49	1	3	G	H8	H	7.295	1
50	1	3	G	H21	H	9.215	2
51	1	3	G	H22	H	7.073	2
52	1	3	G	C1'	C	92.427	1
53	1	3	G	C2	C	156.042	1
54	1	3	G	C2'	C	73.973	1
55	1	3	G	C3'	C	72.463	1
56	1	3	G	C4'	C	79.663	1
57	1	3	G	C5'	C	67.597	1
58	1	3	G	C6	C	162.641	1
59	1	3	G	C8	C	139.505	1
60	1	3	G	N1	N	142.859	1
61	1	3	G	N2	N	80.617	1
62	1	3	G	N7	N	226.988	1
63	1	3	G	N9	N	168.125	1
64	1	3	G	P	P	-0.432	1
65	1	4	U	H1'	H	5.718	1
66	1	4	U	H2'	H	4.597	1
67	1	4	U	H3	H	11.273	1
68	1	4	U	H3'	H	4.235	1
69	1	4	U	H4'	H	4.232	1
70	1	4	U	H5	H	4.786	1
71	1	4	U	H5'	H	4.685	2
72	1	4	U	H5''	H	4.374	2
73	1	4	U	H6	H	6.768	1
74	1	4	U	C1'	C	88.871	1
75	1	4	U	C2	C	152.393	1
76	1	4	U	C2'	C	70.160	1
77	1	4	U	C3'	C	71.277	1
78	1	4	U	C4'	C	76.675	1
79	1	4	U	C5	C	100.517	1
80	1	4	U	C5'	C	61.503	1
81	1	4	U	C6	C	140.433	1
82	1	4	U	N1	N	147.649	1
83	1	4	U	N3	N	157.030	1
84	1	4	U	P	P	-1.261	1
85	1	5	G	H1	H	11.437	1
86	1	5	G	H1'	H	5.946	1
87	1	5	G	H2'	H	5.478	1
88	1	5	G	H3'	H	4.663	1
89	1	5	G	H4'	H	4.645	1
90	1	5	G	H5'	H	4.423	2
91	1	5	G	H5''	H	3.983	2
92	1	5	G	H8	H	8.249	1
93	1	5	G	H21	H	9.662	2
94	1	5	G	H22	H	9.662	2
95	1	5	G	C1'	C	83.636	1
96	1	5	G	C2	C	155.746	1
97	1	5	G	C2'	C	71.918	1
98	1	5	G	C3'	C	73.709	1
99	1	5	G	C4'	C	84.674	1
100	1	5	G	C5'	C	66.865	1
101	1	5	G	C6	C	163.139	1
102	1	5	G	C8	C	136.317	1
103	1	5	G	N1	N	144.727	1
104	1	5	G	N2	N	80.303	1
105	1	5	G	N7	N	237.853	1
106	1	5	G	N9	N	166.036	1
107	1	5	G	P	P	-2.936	1
108	1	6	U	H1'	H	6.099	1
109	1	6	U	H2'	H	4.616	1
110	1	6	U	H3'	H	4.746	1
111	1	6	U	H4'	H	4.585	1
112	1	6	U	H5	H	5.994	1
113	1	6	U	H5'	H	4.368	2
114	1	6	U	H5''	H	4.227	2
115	1	6	U	H6	H	7.915	1
116	1	6	U	C1'	C	89.127	1
117	1	6	U	C2	C	151.924	1
118	1	6	U	C2'	C	72.620	1
119	1	6	U	C3'	C	73.851	1
120	1	6	U	C4'	C	82.191	1
121	1	6	U	C5	C	102.935	1
122	1	6	U	C5'	C	65.638	1
123	1	6	U	C6	C	142.232	1
124	1	6	U	N1	N	144.762	1
125	1	6	U	N3	N	158.635	1
126	1	6	U	P	P	-1.008	1
127	1	7	G	H1	H	11.530	1
128	1	7	G	H1'	H	5.744	1
129	1	7	G	H2'	H	5.264	1
130	1	7	G	H3'	H	4.866	1
131	1	7	G	H4'	H	4.695	1
132	1	7	G	H5'	H	4.525	2
133	1	7	G	H5''	H	4.066	2
134	1	7	G	H8	H	7.575	1
135	1	7	G	H21	H	9.259	2
136	1	7	G	H22	H	7.090	2
137	1	7	G	C1'	C	88.558	1
138	1	7	G	C2	C	155.957	1
139	1	7	G	C2'	C	69.321	1
140	1	7	G	C3'	C	74.665	1
141	1	7	G	C4'	C	82.261	1
142	1	7	G	C5'	C	64.395	1
143	1	7	G	C6	C	162.447	1
144	1	7	G	C8	C	141.141	1
145	1	7	G	N1	N	143.268	1
146	1	7	G	N2	N	81.589	1
147	1	7	G	N7	N	228.440	1
148	1	7	G	N9	N	161.806	1
149	1	7	G	P	P	-0.247	1
150	1	8	U	H1'	H	6.272	1
151	1	8	U	H2'	H	4.573	1
152	1	8	U	H3'	H	4.702	1
153	1	8	U	H4'	H	4.682	1
154	1	8	U	H5	H	5.981	1
155	1	8	U	H5'	H	4.468	2
156	1	8	U	H5''	H	4.147	2
157	1	8	U	H6	H	8.047	1
158	1	8	U	C1'	C	86.234	1
159	1	8	U	C2	C	152.393	1
160	1	8	U	C2'	C	72.858	1
161	1	8	U	C3'	C	76.035	1
162	1	8	U	C4'	C	84.825	1
163	1	8	U	C5	C	103.299	1
164	1	8	U	C5'	C	66.084	1
165	1	8	U	C6	C	141.333	1
166	1	8	U	N1	N	143.290	1
167	1	8	U	N3	N	158.237	1
168	1	8	U	P	P	0.547	1
169	1	9	G	H1	H	11.297	1
170	1	9	G	H1'	H	6.058	1
171	1	9	G	H2'	H	4.478	1
172	1	9	G	H3'	H	5.519	1
173	1	9	G	H4'	H	4.906	1
174	1	9	G	H5'	H	4.645	2
175	1	9	G	H5''	H	4.364	2
176	1	9	G	H8	H	7.218	1
177	1	9	G	H21	H	9.213	2
178	1	9	G	H22	H	7.066	2
179	1	9	G	C1'	C	92.349	1
180	1	9	G	C2	C	156.219	1
181	1	9	G	C2'	C	73.973	1
182	1	9	G	C3'	C	72.446	1
183	1	9	G	C4'	C	79.614	1
184	1	9	G	C5'	C	67.675	1
185	1	9	G	C6	C	162.665	1
186	1	9	G	C8	C	139.499	1
187	1	9	G	N1	N	142.791	1
188	1	9	G	N2	N	81.198	1
189	1	9	G	N7	N	226.847	1
190	1	9	G	N9	N	168.230	1
191	1	9	G	P	P	-0.460	1
192	1	10	U	H1'	H	5.718	1
193	1	10	U	H2'	H	4.597	1
194	1	10	U	H3	H	11.273	1
195	1	10	U	H3'	H	4.236	1
196	1	10	U	H4'	H	4.233	1
197	1	10	U	H5	H	4.785	1
198	1	10	U	H5'	H	4.687	2
199	1	10	U	H5''	H	4.375	2
200	1	10	U	H6	H	6.768	1
201	1	10	U	C1'	C	88.854	1
202	1	10	U	C2	C	152.393	1
203	1	10	U	C2'	C	70.160	1
204	1	10	U	C3'	C	71.277	1
205	1	10	U	C4'	C	76.675	1
206	1	10	U	C5	C	100.505	1
207	1	10	U	C5'	C	61.503	1
208	1	10	U	C6	C	140.433	1
209	1	10	U	N1	N	147.649	1
210	1	10	U	N3	N	157.030	1
211	1	10	U	P	P	-1.254	1
212	1	11	G	H1	H	11.437	1
213	1	11	G	H1'	H	5.943	1
214	1	11	G	H2'	H	5.478	1
215	1	11	G	H3'	H	4.663	1
216	1	11	G	H4'	H	4.644	1
217	1	11	G	H5'	H	4.423	2
218	1	11	G	H5''	H	3.983	2
219	1	11	G	H8	H	8.249	1
220	1	11	G	H21	H	9.662	2
221	1	11	G	H22	H	9.662	2
222	1	11	G	C1'	C	83.631	1
223	1	11	G	C2	C	155.746	1
224	1	11	G	C2'	C	71.918	1
225	1	11	G	C3'	C	73.709	1
226	1	11	G	C4'	C	84.674	1
227	1	11	G	C5'	C	66.865	1
228	1	11	G	C6	C	163.139	1
229	1	11	G	C8	C	136.317	1
230	1	11	G	N1	N	144.727	1
231	1	11	G	N2	N	80.303	1
232	1	11	G	N7	N	237.853	1
233	1	11	G	N9	N	166.036	1
234	1	11	G	P	P	-2.935	1
235	1	12	U	H1'	H	6.101	1
236	1	12	U	H2'	H	4.616	1
237	1	12	U	H3'	H	4.746	1
238	1	12	U	H4'	H	4.587	1
239	1	12	U	H5	H	5.995	1
240	1	12	U	H5'	H	4.369	2
241	1	12	U	H5''	H	4.227	2
242	1	12	U	H6	H	7.915	1
243	1	12	U	C1'	C	89.116	1
244	1	12	U	C2	C	151.924	1
245	1	12	U	C2'	C	72.620	1
246	1	12	U	C3'	C	73.851	1
247	1	12	U	C4'	C	82.191	1
248	1	12	U	C5	C	102.928	1
249	1	12	U	C5'	C	65.638	1
250	1	12	U	C6	C	142.232	1
251	1	12	U	N1	N	144.762	1
252	1	12	U	N3	N	158.635	1
253	1	12	U	P	P	-1.007	1
254	1	13	G	H1	H	11.720	1
255	1	13	G	H1'	H	5.744	1
256	1	13	G	H2'	H	5.264	1
257	1	13	G	H3'	H	4.866	1
258	1	13	G	H4'	H	4.694	1
259	1	13	G	H5'	H	4.524	2
260	1	13	G	H5''	H	4.066	2
261	1	13	G	H8	H	7.569	1
262	1	13	G	H21	H	9.259	2
263	1	13	G	H22	H	7.090	2
264	1	13	G	C1'	C	88.558	1
265	1	13	G	C2	C	155.980	1
266	1	13	G	C2'	C	69.321	1
267	1	13	G	C3'	C	74.665	1
268	1	13	G	C4'	C	82.261	1
269	1	13	G	C5'	C	64.395	1
270	1	13	G	C6	C	162.495	1
271	1	13	G	C8	C	141.141	1
272	1	13	G	N1	N	143.544	1
273	1	13	G	N2	N	81.589	1
274	1	13	G	N7	N	229.353	1
275	1	13	G	N9	N	161.806	1
276	1	13	G	P	P	-0.247	1
277	1	14	U	H1'	H	6.272	1
278	1	14	U	H2'	H	4.573	1
279	1	14	U	H3'	H	4.698	1
280	1	14	U	H4'	H	4.683	1
281	1	14	U	H5	H	5.981	1
282	1	14	U	H5'	H	4.468	2
283	1	14	U	H5''	H	4.147	2
284	1	14	U	H6	H	8.047	1
285	1	14	U	C1'	C	86.234	1
286	1	14	U	C2	C	152.393	1
287	1	14	U	C2'	C	72.858	1
288	1	14	U	C3'	C	76.035	1
289	1	14	U	C4'	C	84.825	1
290	1	14	U	C5	C	103.296	1
291	1	14	U	C5'	C	66.084	1
292	1	14	U	C6	C	141.333	1
293	1	14	U	N1	N	143.290	1
294	1	14	U	N3	N	158.237	1
295	1	14	U	P	P	0.547	1
296	1	15	G	H1	H	11.297	1
297	1	15	G	H1'	H	6.058	1
298	1	15	G	H2'	H	4.478	1
299	1	15	G	H3'	H	5.519	1
300	1	15	G	H4'	H	4.906	1
301	1	15	G	H5'	H	4.645	2
302	1	15	G	H5''	H	4.363	2
303	1	15	G	H8	H	7.218	1
304	1	15	G	H21	H	9.213	2
305	1	15	G	H22	H	7.066	2
306	1	15	G	C1'	C	92.349	1
307	1	15	G	C2	C	156.219	1
308	1	15	G	C2'	C	73.973	1
309	1	15	G	C3'	C	72.446	1
310	1	15	G	C4'	C	79.614	1
311	1	15	G	C5'	C	67.675	1
312	1	15	G	C6	C	162.665	1
313	1	15	G	C8	C	139.499	1
314	1	15	G	N1	N	142.791	1
315	1	15	G	N2	N	81.198	1
316	1	15	G	N7	N	226.847	1
317	1	15	G	N9	N	168.230	1
318	1	15	G	P	P	-0.460	1
319	1	16	U	H1'	H	5.718	1
320	1	16	U	H2'	H	4.597	1
321	1	16	U	H3	H	11.273	1
322	1	16	U	H3'	H	4.236	1
323	1	16	U	H4'	H	4.233	1
324	1	16	U	H5	H	4.785	1
325	1	16	U	H5'	H	4.687	1
326	1	16	U	H5''	H	4.375	1
327	1	16	U	H6	H	6.768	1
328	1	16	U	C1'	C	88.854	1
329	1	16	U	C2	C	152.393	1
330	1	16	U	C2'	C	70.160	1
331	1	16	U	C3'	C	71.277	1
332	1	16	U	C4'	C	76.675	1
333	1	16	U	C5	C	100.505	1
334	1	16	U	C5'	C	61.503	1
335	1	16	U	C6	C	140.433	1
336	1	16	U	N1	N	147.649	1
337	1	16	U	N3	N	157.030	1
338	1	16	U	P	P	-1.254	1
339	1	17	G	H1	H	11.373	1
340	1	17	G	H1'	H	5.943	1
341	1	17	G	H2'	H	5.478	1
342	1	17	G	H3'	H	4.663	1
343	1	17	G	H4'	H	4.644	1
344	1	17	G	H5'	H	4.423	2
345	1	17	G	H5''	H	3.983	2
346	1	17	G	H8	H	8.249	1
347	1	17	G	H21	H	9.725	2
348	1	17	G	H22	H	9.725	2
349	1	17	G	C1'	C	83.631	1
350	1	17	G	C2	C	155.749	1
351	1	17	G	C2'	C	71.918	1
352	1	17	G	C3'	C	73.709	1
353	1	17	G	C4'	C	84.674	1
354	1	17	G	C5'	C	66.865	1
355	1	17	G	C6	C	163.111	1
356	1	17	G	C8	C	136.317	1
357	1	17	G	N1	N	144.529	1
358	1	17	G	N2	N	80.409	1
359	1	17	G	N7	N	237.853	1
360	1	17	G	N9	N	166.036	1
361	1	17	G	P	P	-2.935	1
362	1	18	U	H1'	H	6.101	1
363	1	18	U	H2'	H	4.616	1
364	1	18	U	H3'	H	4.746	1
365	1	18	U	H4'	H	4.587	1
366	1	18	U	H5	H	5.995	1
367	1	18	U	H5'	H	4.369	2
368	1	18	U	H5''	H	4.227	2
369	1	18	U	H6	H	7.915	1
370	1	18	U	C1'	C	89.116	1
371	1	18	U	C2	C	151.924	1
372	1	18	U	C2'	C	72.620	1
373	1	18	U	C3'	C	73.851	1
374	1	18	U	C4'	C	82.191	1
375	1	18	U	C5	C	102.928	1
376	1	18	U	C5'	C	65.638	1
377	1	18	U	C6	C	142.232	1
378	1	18	U	N1	N	144.762	1
379	1	18	U	N3	N	158.635	1
380	1	18	U	P	P	-1.007	1
381	1	19	G	H1	H	11.779	1
382	1	19	G	H1'	H	5.744	1
383	1	19	G	H2'	H	5.264	1
384	1	19	G	H3'	H	4.866	1
385	1	19	G	H4'	H	4.694	1
386	1	19	G	H5'	H	4.524	2
387	1	19	G	H5''	H	4.066	2
388	1	19	G	H8	H	7.569	1
389	1	19	G	H21	H	9.259	2
390	1	19	G	H22	H	7.090	2
391	1	19	G	C1'	C	88.558	1
392	1	19	G	C2	C	156.024	1
393	1	19	G	C2'	C	69.321	1
394	1	19	G	C3'	C	74.665	1
395	1	19	G	C4'	C	82.261	1
396	1	19	G	C5'	C	64.395	1
397	1	19	G	C6	C	162.501	1
398	1	19	G	C8	C	141.141	1
399	1	19	G	N1	N	143.605	1
400	1	19	G	N2	N	81.589	1
401	1	19	G	N7	N	229.353	1
402	1	19	G	N9	N	161.806	1
403	1	19	G	P	P	-0.247	1
404	1	20	U	H1'	H	6.272	1
405	1	20	U	H2'	H	4.573	1
406	1	20	U	H3'	H	4.698	1
407	1	20	U	H4'	H	4.683	1
408	1	20	U	H5	H	5.981	1
409	1	20	U	H5'	H	4.468	2
410	1	20	U	H5''	H	4.147	2
411	1	20	U	H6	H	8.047	1
412	1	20	U	C1'	C	86.234	1
413	1	20	U	C2	C	152.393	1
414	1	20	U	C2'	C	72.858	1
415	1	20	U	C3'	C	76.035	1
416	1	20	U	C4'	C	84.825	1
417	1	20	U	C5	C	103.296	1
418	1	20	U	C5'	C	66.084	1
419	1	20	U	C6	C	141.333	1
420	1	20	U	N1	N	143.290	1
421	1	20	U	N3	N	158.237	1
422	1	20	U	P	P	0.547	1
423	1	21	G	H1	H	11.318	1
424	1	21	G	H1'	H	6.058	1
425	1	21	G	H2'	H	4.478	1
426	1	21	G	H3'	H	5.519	1
427	1	21	G	H4'	H	4.906	1
428	1	21	G	H5'	H	4.645	2
429	1	21	G	H5''	H	4.363	2
430	1	21	G	H8	H	7.218	1
431	1	21	G	H21	H	9.213	2
432	1	21	G	H22	H	7.066	2
433	1	21	G	C1'	C	92.349	1
434	1	21	G	C2	C	156.286	1
435	1	21	G	C2'	C	73.973	1
436	1	21	G	C3'	C	72.446	1
437	1	21	G	C4'	C	79.614	1
438	1	21	G	C5'	C	67.675	1
439	1	21	G	C6	C	162.636	1
440	1	21	G	C8	C	139.499	1
441	1	21	G	N1	N	142.859	1
442	1	21	G	N2	N	81.198	1
443	1	21	G	N7	N	226.847	1
444	1	21	G	N9	N	168.230	1
445	1	21	G	P	P	-0.460	1
446	1	22	U	H1'	H	5.718	1
447	1	22	U	H2'	H	4.597	1
448	1	22	U	H3	H	11.273	1
449	1	22	U	H3'	H	4.236	1
450	1	22	U	H4'	H	4.232	1
451	1	22	U	H5	H	4.785	1
452	1	22	U	H5'	H	4.687	2
453	1	22	U	H5''	H	4.375	2
454	1	22	U	H6	H	6.768	1
455	1	22	U	C1'	C	88.854	1
456	1	22	U	C2	C	152.393	1
457	1	22	U	C2'	C	70.160	1
458	1	22	U	C3'	C	71.290	1
459	1	22	U	C4'	C	76.675	1
460	1	22	U	C5	C	100.505	1
461	1	22	U	C5'	C	61.503	1
462	1	22	U	C6	C	140.433	1
463	1	22	U	N1	N	147.649	1
464	1	22	U	N3	N	157.030	1
465	1	22	U	P	P	-1.254	1
466	1	23	G	H1	H	11.490	1
467	1	23	G	H1'	H	5.902	1
468	1	23	G	H2'	H	5.454	1
469	1	23	G	H3'	H	4.670	1
470	1	23	G	H4'	H	4.655	1
471	1	23	G	H5'	H	4.388	2
472	1	23	G	H5''	H	4.046	2
473	1	23	G	H8	H	8.249	1
474	1	23	G	H21	H	9.656	2
475	1	23	G	H22	H	9.656	2
476	1	23	G	C1'	C	83.608	1
477	1	23	G	C2	C	155.780	1
478	1	23	G	C2'	C	72.042	1
479	1	23	G	C3'	C	73.588	1
480	1	23	G	C4'	C	84.238	1
481	1	23	G	C5'	C	66.743	1
482	1	23	G	C6	C	163.132	1
483	1	23	G	C8	C	136.317	1
484	1	23	G	N1	N	144.807	1
485	1	23	G	N2	N	79.719	1
486	1	23	G	N7	N	237.853	1
487	1	23	G	N9	N	166.091	1
488	1	23	G	P	P	-3.024	1
489	1	24	U	H1'	H	5.948	1
490	1	24	U	H2'	H	4.294	1
491	1	24	U	H3'	H	4.354	1
492	1	24	U	H4'	H	4.268	1
493	1	24	U	H5	H	6.021	1
494	1	24	U	H5'	H	4.353	2
495	1	24	U	H5''	H	4.263	2
496	1	24	U	H6	H	7.977	1
497	1	24	U	C1'	C	88.545	1
498	1	24	U	C2	C	151.870	1
499	1	24	U	C2'	C	73.778	1
500	1	24	U	C3'	C	69.612	1
501	1	24	U	C4'	C	82.839	1
502	1	24	U	C5	C	102.648	1
503	1	24	U	C5'	C	64.786	1
504	1	24	U	C6	C	141.531	1
505	1	24	U	N1	N	145.703	1
506	1	24	U	N3	N	158.609	1
507	1	24	U	P	P	-0.164	1

Chemical Shifts 2

¹H: 2, ¹³C: 2 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Ambig. code
508	1	24	U	H1'	H	5.819	1
509	1	24	U	H6	H	7.841	1
510	1	24	U	C1'	C	88.195	1
511	1	24	U	C6	C	141.355	1

Release date

2023-07-17

Citation

Solution Structure of Poly(UG) RNA
Escobar, C.A., Petersen, R.J., Tonelli, M., Fan, L., Henzler-Wildman, K.A., Butcher, S.E.
J. Mol. Biol. (2023), 435, 168340-168340, PubMed 37924862 , DOI 10.1016/j.jmb.2023.168340 , Abstract

Experiments performed 69 experiments Detail

1 1D 1H

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	(GU)12	natural abundance	400 uM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	DSS	natural abundance	20 uM
5	potassium chloride	natural abundance	150 mM
6	HEPES	natural abundance	50 mM

2 1D 31P

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	(GU)12	[U-13C; U-15N]-Ura	200 uM
24	D2O	[U-2H]	10 %
25	DSS	natural abundance	20 uM
26	H2O	natural abundance	90 %
27	potassium chloride	natural abundance	100 mM
28	potassium phosphate	natural abundance	20 mM

3 3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhanced

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	(GU)12	[U-13C; U-15N]-Ura	200 uM
24	D2O	[U-2H]	10 %
25	DSS	natural abundance	20 uM
26	H2O	natural abundance	90 %
27	potassium chloride	natural abundance	100 mM
28	potassium phosphate	natural abundance	20 mM

4 3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhanced CC decoupled

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	(GU)12	[U-13C; U-15N]-Ura	200 uM
24	D2O	[U-2H]	10 %
25	DSS	natural abundance	20 uM
26	H2O	natural abundance	90 %
27	potassium chloride	natural abundance	100 mM
28	potassium phosphate	natural abundance	20 mM

5 2D H,H NOESY-1H,15N-HSQC

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	(GU)12	[U-13C; U-15N]-Ura	200 uM
24	D2O	[U-2H]	10 %
25	DSS	natural abundance	20 uM
26	H2O	natural abundance	90 %
27	potassium chloride	natural abundance	100 mM
28	potassium phosphate	natural abundance	20 mM

6 2D H,N HCN BEST

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	(GU)12	[U-13C; U-15N]-Ura	200 uM
24	D2O	[U-2H]	10 %
25	DSS	natural abundance	20 uM
26	H2O	natural abundance	90 %
27	potassium chloride	natural abundance	100 mM
28	potassium phosphate	natural abundance	20 mM

7 2D 1H-13C HSQC sensitivity-enhanced CC decoupled

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	(GU)12	[U-13C; U-15N]-Ura	200 uM
24	D2O	[U-2H]	10 %
25	DSS	natural abundance	20 uM
26	H2O	natural abundance	90 %
27	potassium chloride	natural abundance	100 mM
28	potassium phosphate	natural abundance	20 mM

8 2D 1H-15N HSQC long-range

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	(GU)12	[U-13C; U-15N]-Ura	200 uM
24	D2O	[U-2H]	10 %
25	DSS	natural abundance	20 uM
26	H2O	natural abundance	90 %
27	potassium chloride	natural abundance	100 mM
28	potassium phosphate	natural abundance	20 mM

9 2D 1H-13C HSQC sensitivity-enhanced CC decoupled

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	(GU)12	[U-13C; U-15N]-Ura	200 uM
24	D2O	[U-2H]	10 %
25	DSS	natural abundance	20 uM
26	H2O	natural abundance	90 %
27	potassium chloride	natural abundance	100 mM
28	potassium phosphate	natural abundance	20 mM

10 2D 1H-15N HSQC BEST

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	(GU)12	[U-13C; U-15N]-Ura	200 uM
24	D2O	[U-2H]	10 %
25	DSS	natural abundance	20 uM
26	H2O	natural abundance	90 %
27	potassium chloride	natural abundance	100 mM
28	potassium phosphate	natural abundance	20 mM

11 3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhanced

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
29	(GU)12	[U-13C; U-15N]-Ura	200 uM
30	D2O	[U-2H]	100 %
31	DSS	natural abundance	20 uM
32	potassium chloride	natural abundance	100 mM
33	potassium phosphate	natural abundance	20 mM

12 3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhanced CC decoupled

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
29	(GU)12	[U-13C; U-15N]-Ura	200 uM
30	D2O	[U-2H]	100 %
31	DSS	natural abundance	20 uM
32	potassium chloride	natural abundance	100 mM
33	potassium phosphate	natural abundance	20 mM

13 3D H,H,C 13C-filtered NOESY-1H,13C-HSQC sensitivity-enhanced CC decoupled

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
29	(GU)12	[U-13C; U-15N]-Ura	200 uM
30	D2O	[U-2H]	100 %
31	DSS	natural abundance	20 uM
32	potassium chloride	natural abundance	100 mM
33	potassium phosphate	natural abundance	20 mM

14 3D H,H,C 13C-filtered NOESY-1H,13C-HSQC sensitivity-enhanced

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
29	(GU)12	[U-13C; U-15N]-Ura	200 uM
30	D2O	[U-2H]	100 %
31	DSS	natural abundance	20 uM
32	potassium chloride	natural abundance	100 mM
33	potassium phosphate	natural abundance	20 mM

15 3D HC(C)H-TOCSY

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
29	(GU)12	[U-13C; U-15N]-Ura	200 uM
30	D2O	[U-2H]	100 %
31	DSS	natural abundance	20 uM
32	potassium chloride	natural abundance	100 mM
33	potassium phosphate	natural abundance	20 mM

16 3D HC(C)H-COSY

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
29	(GU)12	[U-13C; U-15N]-Ura	200 uM
30	D2O	[U-2H]	100 %
31	DSS	natural abundance	20 uM
32	potassium chloride	natural abundance	100 mM
33	potassium phosphate	natural abundance	20 mM

17 2D 1H-13C HSQC constant-time

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
29	(GU)12	[U-13C; U-15N]-Ura	200 uM
30	D2O	[U-2H]	100 %
31	DSS	natural abundance	20 uM
32	potassium chloride	natural abundance	100 mM
33	potassium phosphate	natural abundance	20 mM

18 3D HCP sensitivity-enhanced

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
29	(GU)12	[U-13C; U-15N]-Ura	200 uM
30	D2O	[U-2H]	100 %
31	DSS	natural abundance	20 uM
32	potassium chloride	natural abundance	100 mM
33	potassium phosphate	natural abundance	20 mM

19 3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhanced

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	(GU)12	[U-13C; U-15N]-Gua	350 uM
13	D2O	[U-2H]	10 %
14	DSS	natural abundance	20 uM
15	H2O	natural abundance	90 %
16	potassium chloride	natural abundance	100 mM
17	potassium phosphate	natural abundance	20 mM

20 3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhanced

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	(GU)12	[U-13C; U-15N]-Gua	350 uM
13	D2O	[U-2H]	10 %
14	DSS	natural abundance	20 uM
15	H2O	natural abundance	90 %
16	potassium chloride	natural abundance	100 mM
17	potassium phosphate	natural abundance	20 mM

21 2D H,H NOESY-1H,15N-HSQC

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	(GU)12	[U-13C; U-15N]-Gua	350 uM
13	D2O	[U-2H]	10 %
14	DSS	natural abundance	20 uM
15	H2O	natural abundance	90 %
16	potassium chloride	natural abundance	100 mM
17	potassium phosphate	natural abundance	20 mM

22 2D H,N HCN BEST

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	(GU)12	[U-13C; U-15N]-Gua	350 uM
13	D2O	[U-2H]	10 %
14	DSS	natural abundance	20 uM
15	H2O	natural abundance	90 %
16	potassium chloride	natural abundance	100 mM
17	potassium phosphate	natural abundance	20 mM

23 2D 1H-13C HSQC sensitivity-enhanced CC decoupled

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	(GU)12	[U-13C; U-15N]-Gua	350 uM
13	D2O	[U-2H]	10 %
14	DSS	natural abundance	20 uM
15	H2O	natural abundance	90 %
16	potassium chloride	natural abundance	100 mM
17	potassium phosphate	natural abundance	20 mM

24 2D 1H-15N HSQC long-range

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	(GU)12	[U-13C; U-15N]-Gua	350 uM
13	D2O	[U-2H]	10 %
14	DSS	natural abundance	20 uM
15	H2O	natural abundance	90 %
16	potassium chloride	natural abundance	100 mM
17	potassium phosphate	natural abundance	20 mM

25 2D 1H-13C HSQC sensitivity-enhanced

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	(GU)12	[U-13C; U-15N]-Gua	350 uM
13	D2O	[U-2H]	10 %
14	DSS	natural abundance	20 uM
15	H2O	natural abundance	90 %
16	potassium chloride	natural abundance	100 mM
17	potassium phosphate	natural abundance	20 mM

26 2D 1H-15N HSQC BEST

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	(GU)12	[U-13C; U-15N]-Gua	350 uM
13	D2O	[U-2H]	10 %
14	DSS	natural abundance	20 uM
15	H2O	natural abundance	90 %
16	potassium chloride	natural abundance	100 mM
17	potassium phosphate	natural abundance	20 mM

27 3D H,N,N NOESY-1H,15N-HSQC

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 276 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	(GU)12	[U-13C; U-15N]-Gua	350 uM
13	D2O	[U-2H]	10 %
14	DSS	natural abundance	20 uM
15	H2O	natural abundance	90 %
16	potassium chloride	natural abundance	100 mM
17	potassium phosphate	natural abundance	20 mM

28 2D 1H-15N HSQC BEST

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 276 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	(GU)12	[U-13C; U-15N]-Gua	350 uM
13	D2O	[U-2H]	10 %
14	DSS	natural abundance	20 uM
15	H2O	natural abundance	90 %
16	potassium chloride	natural abundance	100 mM
17	potassium phosphate	natural abundance	20 mM

29 2D 1H-13C HSQC sensitivity-enhanced

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 276 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	(GU)12	[U-13C; U-15N]-Gua	350 uM
13	D2O	[U-2H]	10 %
14	DSS	natural abundance	20 uM
15	H2O	natural abundance	90 %
16	potassium chloride	natural abundance	100 mM
17	potassium phosphate	natural abundance	20 mM

30 2D 1H-13C HSQC constant-time

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 276 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	(GU)12	[U-13C; U-15N]-Gua	350 uM
13	D2O	[U-2H]	10 %
14	DSS	natural abundance	20 uM
15	H2O	natural abundance	90 %
16	potassium chloride	natural abundance	100 mM
17	potassium phosphate	natural abundance	20 mM

31 3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhanced

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
18	(GU)12	[U-13C; U-15N]-Gua	350 uM
19	D2O	[U-2H]	100 %
20	DSS	natural abundance	20 uM
21	potassium chloride	natural abundance	100 mM
22	potassium phosphate	natural abundance	20 mM

32 3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhanced

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
18	(GU)12	[U-13C; U-15N]-Gua	350 uM
19	D2O	[U-2H]	100 %
20	DSS	natural abundance	20 uM
21	potassium chloride	natural abundance	100 mM
22	potassium phosphate	natural abundance	20 mM

33 3D H,H,C 13C-filtered NOESY-1H,13C-HSQC sensitivity-enhanced

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
18	(GU)12	[U-13C; U-15N]-Gua	350 uM
19	D2O	[U-2H]	100 %
20	DSS	natural abundance	20 uM
21	potassium chloride	natural abundance	100 mM
22	potassium phosphate	natural abundance	20 mM

34 3D H,H,C 13C-filtered NOESY-1H,13C-HSQC sensitivity-enhanced

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
18	(GU)12	[U-13C; U-15N]-Gua	350 uM
19	D2O	[U-2H]	100 %
20	DSS	natural abundance	20 uM
21	potassium chloride	natural abundance	100 mM
22	potassium phosphate	natural abundance	20 mM

35 3D HC(C)H-TOCSY

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
18	(GU)12	[U-13C; U-15N]-Gua	350 uM
19	D2O	[U-2H]	100 %
20	DSS	natural abundance	20 uM
21	potassium chloride	natural abundance	100 mM
22	potassium phosphate	natural abundance	20 mM

36 3D HC(C)H-COSY

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
18	(GU)12	[U-13C; U-15N]-Gua	350 uM
19	D2O	[U-2H]	100 %
20	DSS	natural abundance	20 uM
21	potassium chloride	natural abundance	100 mM
22	potassium phosphate	natural abundance	20 mM

37 2D 1H-13C HSQC constant-time

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
18	(GU)12	[U-13C; U-15N]-Gua	350 uM
19	D2O	[U-2H]	100 %
20	DSS	natural abundance	20 uM
21	potassium chloride	natural abundance	100 mM
22	potassium phosphate	natural abundance	20 mM

38 3D HCP sensitivity-enhanced

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
18	(GU)12	[U-13C; U-15N]-Gua	350 uM
19	D2O	[U-2H]	100 %
20	DSS	natural abundance	20 uM
21	potassium chloride	natural abundance	100 mM
22	potassium phosphate	natural abundance	20 mM

39 2D 1H-1H NOESY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
18	(GU)12	[U-13C; U-15N]-Gua	350 uM
19	D2O	[U-2H]	100 %
20	DSS	natural abundance	20 uM
21	potassium chloride	natural abundance	100 mM
22	potassium phosphate	natural abundance	20 mM

40 2D 1H-1H NOESY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
18	(GU)12	[U-13C; U-15N]-Gua	350 uM
19	D2O	[U-2H]	100 %
20	DSS	natural abundance	20 uM
21	potassium chloride	natural abundance	100 mM
22	potassium phosphate	natural abundance	20 mM

41 2D 1H-1H TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
18	(GU)12	[U-13C; U-15N]-Gua	350 uM
19	D2O	[U-2H]	100 %
20	DSS	natural abundance	20 uM
21	potassium chloride	natural abundance	100 mM
22	potassium phosphate	natural abundance	20 mM

42 2D 1H-1H NOESY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	(GU)12	natural abundance	400 uM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	DSS	natural abundance	20 uM
5	potassium chloride	natural abundance	150 mM
6	HEPES	natural abundance	50 mM

43 2D 1H-1H NOESY

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0, Details sequence GUGUGUGUGUGUGUGUGUGUGUG

#	Name	Isotope labeling	Concentration
34	(GU)11.5	natural abundance	500 uM
35	D2O	[U-2H]	100 %
36	DSS	natural abundance	20 uM
37	potassium chloride	natural abundance	100 mM
38	potassium phosphate	natural abundance	20 mM

44 2D 1H-1H TOCSY

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0, Details sequence GUGUGUGUGUGUGUGUGUGUGUG

#	Name	Isotope labeling	Concentration
34	(GU)11.5	natural abundance	500 uM
35	D2O	[U-2H]	100 %
36	DSS	natural abundance	20 uM
37	potassium chloride	natural abundance	100 mM
38	potassium phosphate	natural abundance	20 mM

45 2D 1H-1H NOESY

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 276 K, pH 7.0, Details sequence GUGUGUGUGUGUGUGUGUGUGUG

#	Name	Isotope labeling	Concentration
34	(GU)11.5	natural abundance	500 uM
35	D2O	[U-2H]	100 %
36	DSS	natural abundance	20 uM
37	potassium chloride	natural abundance	100 mM
38	potassium phosphate	natural abundance	20 mM

46 2D 1H-1H TOCSY

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 276 K, pH 7.0, Details sequence GUGUGUGUGUGUGUGUGUGUGUG

#	Name	Isotope labeling	Concentration
34	(GU)11.5	natural abundance	500 uM
35	D2O	[U-2H]	100 %
36	DSS	natural abundance	20 uM
37	potassium chloride	natural abundance	100 mM
38	potassium phosphate	natural abundance	20 mM

47 2D 1H-1H NOESY

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0, Details (GU)12 RNA with a deoxyribose substitution at position 1

#	Name	Isotope labeling	Concentration
39	(GU)12-dG1	natural abundance	350 uM
40	D2O	[U-2H]	100 %
41	DSS	natural abundance	20 uM
42	potassium chloride	natural abundance	100 mM
43	potassium phosphate	natural abundance	20 mM

48 2D 1H-1H TOCSY

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0, Details (GU)12 RNA with a deoxyribose substitution at position 1

#	Name	Isotope labeling	Concentration
39	(GU)12-dG1	natural abundance	350 uM
40	D2O	[U-2H]	100 %
41	DSS	natural abundance	20 uM
42	potassium chloride	natural abundance	100 mM
43	potassium phosphate	natural abundance	20 mM

49 2D 1H-1H NOESY

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 276 K, pH 7.0, Details (GU)12 RNA with a deoxyribose substitution at position 1

#	Name	Isotope labeling	Concentration
39	(GU)12-dG1	natural abundance	350 uM
40	D2O	[U-2H]	100 %
41	DSS	natural abundance	20 uM
42	potassium chloride	natural abundance	100 mM
43	potassium phosphate	natural abundance	20 mM

50 2D 1H-1H TOCSY

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 276 K, pH 7.0, Details (GU)12 RNA with a deoxyribose substitution at position 1

#	Name	Isotope labeling	Concentration
39	(GU)12-dG1	natural abundance	350 uM
40	D2O	[U-2H]	100 %
41	DSS	natural abundance	20 uM
42	potassium chloride	natural abundance	100 mM
43	potassium phosphate	natural abundance	20 mM

51 2D 1H-1H NOESY

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0, Details (GU)12 RNA with a deoxyribose substitution at position 2

#	Name	Isotope labeling	Concentration
44	(GU)12-dU2	natural abundance	770 uM
45	D2O	[U-2H]	100 %
46	DSS	natural abundance	20 uM
47	potassium chloride	natural abundance	100 mM
48	potassium phosphate	natural abundance	20 mM

52 2D 1H-1H TOCSY

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0, Details (GU)12 RNA with a deoxyribose substitution at position 2

#	Name	Isotope labeling	Concentration
44	(GU)12-dU2	natural abundance	770 uM
45	D2O	[U-2H]	100 %
46	DSS	natural abundance	20 uM
47	potassium chloride	natural abundance	100 mM
48	potassium phosphate	natural abundance	20 mM

53 2D 1H-1H NOESY

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 276 K, pH 7.0, Details (GU)12 RNA with a deoxyribose substitution at position 2

#	Name	Isotope labeling	Concentration
44	(GU)12-dU2	natural abundance	770 uM
45	D2O	[U-2H]	100 %
46	DSS	natural abundance	20 uM
47	potassium chloride	natural abundance	100 mM
48	potassium phosphate	natural abundance	20 mM

54 2D 1H-1H TOCSY

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 276 K, pH 7.0, Details (GU)12 RNA with a deoxyribose substitution at position 2

#	Name	Isotope labeling	Concentration
44	(GU)12-dU2	natural abundance	770 uM
45	D2O	[U-2H]	100 %
46	DSS	natural abundance	20 uM
47	potassium chloride	natural abundance	100 mM
48	potassium phosphate	natural abundance	20 mM

55 2D 1H-1H NOESY

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0, Details (GU)12 RNA with a deoxyribose substitution at position 3

#	Name	Isotope labeling	Concentration
49	(GU)12-dG3	natural abundance	380 uM
50	D2O	[U-2H]	100 %
51	DSS	natural abundance	20 uM
52	potassium chloride	natural abundance	100 mM
53	potassium phosphate	natural abundance	20 mM

56 2D 1H-1H TOCSY

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0, Details (GU)12 RNA with a deoxyribose substitution at position 3

#	Name	Isotope labeling	Concentration
49	(GU)12-dG3	natural abundance	380 uM
50	D2O	[U-2H]	100 %
51	DSS	natural abundance	20 uM
52	potassium chloride	natural abundance	100 mM
53	potassium phosphate	natural abundance	20 mM

57 2D 1H-1H NOESY

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 276 K, pH 7.0, Details (GU)12 RNA with a deoxyribose substitution at position 3

#	Name	Isotope labeling	Concentration
49	(GU)12-dG3	natural abundance	380 uM
50	D2O	[U-2H]	100 %
51	DSS	natural abundance	20 uM
52	potassium chloride	natural abundance	100 mM
53	potassium phosphate	natural abundance	20 mM

58 2D 1H-1H TOCSY

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 276 K, pH 7.0, Details (GU)12 RNA with a deoxyribose substitution at position 3

#	Name	Isotope labeling	Concentration
49	(GU)12-dG3	natural abundance	380 uM
50	D2O	[U-2H]	100 %
51	DSS	natural abundance	20 uM
52	potassium chloride	natural abundance	100 mM
53	potassium phosphate	natural abundance	20 mM

59 2D 1H-1H NOESY

Instrument

Bruker AVANCE III HD - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0, Details (GU)12 RNA with a deoxyribose substitution at position 4

#	Name	Isotope labeling	Concentration
54	(GU)12-dU4	natural abundance	270 uM
55	D2O	[U-2H]	100 %
56	DSS	natural abundance	20 uM
57	potassium chloride	natural abundance	100 mM
58	potassium phosphate	natural abundance	20 mM

60 2D 1H-1H NOESY

Instrument

Bruker AVANCE III HD - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 276 K, pH 7.0, Details (GU)12 RNA with a deoxyribose substitution at position 4

#	Name	Isotope labeling	Concentration
54	(GU)12-dU4	natural abundance	270 uM
55	D2O	[U-2H]	100 %
56	DSS	natural abundance	20 uM
57	potassium chloride	natural abundance	100 mM
58	potassium phosphate	natural abundance	20 mM

61 2D 1H-1H NOESY

Instrument

Bruker AVANCE III HD - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0, Details (GU)12 RNA with a deoxyribose substitution at position 5

#	Name	Isotope labeling	Concentration
59	(GU)12-dG5	natural abundance	190 uM
60	D2O	[U-2H]	100 %
61	DSS	natural abundance	20 uM
62	potassium chloride	natural abundance	100 mM
63	potassium phosphate	natural abundance	20 mM

62 2D 1H-1H NOESY

Instrument

Bruker AVANCE III HD - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 276 K, pH 7.0, Details (GU)12 RNA with a deoxyribose substitution at position 5

#	Name	Isotope labeling	Concentration
59	(GU)12-dG5	natural abundance	190 uM
60	D2O	[U-2H]	100 %
61	DSS	natural abundance	20 uM
62	potassium chloride	natural abundance	100 mM
63	potassium phosphate	natural abundance	20 mM

63 2D 1H-1H NOESY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0, Details (GU)12 RNA with a deoxyribose substitution at position 6

#	Name	Isotope labeling	Concentration
64	(GU)12-dU6	natural abundance	210 uM
65	D2O	[U-2H]	100 %
66	DSS	natural abundance	20 uM
67	potassium chloride	natural abundance	100 mM
68	potassium phosphate	natural abundance	20 mM

64 2D 1H-13C HSQC sensitivity-enhanced CC decoupled

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
18	(GU)12	[U-13C; U-15N]-Gua	350 uM
19	D2O	[U-2H]	100 %
20	DSS	natural abundance	20 uM
21	potassium chloride	natural abundance	100 mM
22	potassium phosphate	natural abundance	20 mM

65 2D 1H-13C HSQC sensitivity-enhanced CC decoupled

Instrument

Varian VNMRS DD - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
29	(GU)12	[U-13C; U-15N]-Ura	200 uM
30	D2O	[U-2H]	100 %
31	DSS	natural abundance	20 uM
32	potassium chloride	natural abundance	100 mM
33	potassium phosphate	natural abundance	20 mM

66 2D 1H-15N HSQC long-range

Instrument

Varian VNMRS DD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	(GU)12	[U-13C; U-15N]-Gua	350 uM
13	D2O	[U-2H]	10 %
14	DSS	natural abundance	20 uM
15	H2O	natural abundance	90 %
16	potassium chloride	natural abundance	100 mM
17	potassium phosphate	natural abundance	20 mM

67 2D 13C-15N CON

Instrument

Bruker AVANCE III HD - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	(GU)12	[U-13C; U-15N]-Ura	200 uM
24	D2O	[U-2H]	10 %
25	DSS	natural abundance	20 uM
26	H2O	natural abundance	90 %
27	potassium chloride	natural abundance	100 mM
28	potassium phosphate	natural abundance	20 mM

68 2D 13C-15N CON

Instrument

Bruker AVANCE III HD - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	(GU)12	[U-13C; U-15N]-Ura	200 uM
24	D2O	[U-2H]	10 %
25	DSS	natural abundance	20 uM
26	H2O	natural abundance	90 %
27	potassium chloride	natural abundance	100 mM
28	potassium phosphate	natural abundance	20 mM

69 2D 1H-13C HN(CA)CO

Instrument

Bruker AVANCE III HD - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	(GU)12	[U-13C; U-15N]-Ura	200 uM
24	D2O	[U-2H]	10 %
25	DSS	natural abundance	20 uM
26	H2O	natural abundance	90 %
27	potassium chloride	natural abundance	100 mM
28	potassium phosphate	natural abundance	20 mM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr52045_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: bmr52045_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	507	100.0 (chain: 1, length: 24)
2	Assigned chemical shifts	assigned_chemical_shifts_2	Warning	4	4.2 (chain: 1, length: 24)
1	Chemical shift references	chem_shift_reference_1	OK	4	No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1

Status: Warning
Sequence coverage of experimental data
- Entity_assembly_ID: 1, Chain length: 24, Sequence coverage: 100.0%
Total number of assignments
- ¹H chemical shifts: 220
- ¹³C chemical shifts: 192
- ¹⁵N chemical shifts: 72
- ³¹P chemical shifts: 23

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
1	G	H21	9.253
1	G	H22	7.066
1	G	C2	155.916
1	G	C6	162.368
1	G	N2	81.261
1	G	N7	230.152
1	G	N9	164.022
2	U	C2	152.351
2	U	N1	143.318
2	U	P	0.62
3	G	H21	9.215
3	G	H22	7.073
3	G	C2	156.042
3	G	C6	162.641
3	G	N2	80.617
3	G	N7	226.988
3	G	N9	168.125
3	G	P	-0.432
4	U	C2	152.393
4	U	N1	147.649
4	U	P	-1.261
5	G	H21	9.662
5	G	H22	9.662
5	G	C2	155.746
5	G	C6	163.139
5	G	N2	80.303
5	G	N7	237.853
5	G	N9	166.036
5	G	P	-2.936
6	U	C2	151.924
6	U	N1	144.762
6	U	P	-1.008
7	G	H21	9.259
7	G	H22	7.09
7	G	C2	155.957
7	G	C6	162.447
7	G	N2	81.589
7	G	N7	228.44
7	G	N9	161.806
7	G	P	-0.247
8	U	C2	152.393
8	U	N1	143.29
8	U	P	0.547
9	G	H21	9.213
9	G	H22	7.066
9	G	C2	156.219
9	G	C6	162.665
9	G	N2	81.198
9	G	N7	226.847
9	G	N9	168.23
9	G	P	-0.46
10	U	C2	152.393
10	U	N1	147.649
10	U	P	-1.254
11	G	H21	9.662
11	G	H22	9.662
11	G	C2	155.746
11	G	C6	163.139
11	G	N2	80.303
11	G	N7	237.853
11	G	N9	166.036
11	G	P	-2.935
12	U	C2	151.924
12	U	N1	144.762
12	U	P	-1.007
13	G	H21	9.259
13	G	H22	7.09
13	G	C2	155.98
13	G	C6	162.495
13	G	N2	81.589
13	G	N7	229.353
13	G	N9	161.806
13	G	P	-0.247
14	U	C2	152.393
14	U	N1	143.29
14	U	P	0.547
15	G	H21	9.213
15	G	H22	7.066
15	G	C2	156.219
15	G	C6	162.665
15	G	N2	81.198
15	G	N7	226.847
15	G	N9	168.23
15	G	P	-0.46
16	U	C2	152.393
16	U	N1	147.649
16	U	P	-1.254
17	G	H21	9.725
17	G	H22	9.725
17	G	C2	155.749
17	G	C6	163.111
17	G	N2	80.409
17	G	N7	237.853
17	G	N9	166.036
17	G	P	-2.935
18	U	C2	151.924
18	U	N1	144.762
18	U	P	-1.007
19	G	H21	9.259
19	G	H22	7.09
19	G	C2	156.024
19	G	C6	162.501
19	G	N2	81.589
19	G	N7	229.353
19	G	N9	161.806
19	G	P	-0.247
20	U	C2	152.393
20	U	N1	143.29
20	U	P	0.547
21	G	H21	9.213
21	G	H22	7.066
21	G	C2	156.286
21	G	C6	162.636
21	G	N2	81.198
21	G	N7	226.847
21	G	N9	168.23
21	G	P	-0.46
22	U	C2	152.393
22	U	N1	147.649
22	U	P	-1.254
23	G	H21	9.656
23	G	H22	9.656
23	G	C2	155.78
23	G	C6	163.132
23	G	N2	79.719
23	G	N7	237.853
23	G	N9	166.091
23	G	P	-3.024
24	U	C2	151.87
24	U	N1	145.703
24	U	P	-0.164

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	204	196	96.1
¹³C chemical shifts	156	156	100.0
¹⁵N chemical shifts	24	24	100.0

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	144	144	100.0
¹³C chemical shifts	120	120	100.0

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	60	52	86.7
¹³C chemical shifts	36	36	100.0
¹⁵N chemical shifts	24	24	100.0

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	12	12	100.0
¹³C chemical shifts	12	12	100.0

Histogram of normalized assigned chemical shifts

Saveframe: assigned_chemical_shifts_2
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 24, Sequence coverage: 4.2%
- Total number of assignments
  - ¹H chemical shifts: 2
  - ¹³C chemical shifts: 2
- Completeness of assignments
- Histogram of normalized assigned chemical shifts

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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 (0.31 seconds)

BMRB: 52045

Experiments performed 69 experiments Detail

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