BMRBj - BMREntryMaster

Found 1 Document (0.343 seconds)

BMRB: 31099

8THV

FARFAR-NMR ensemble of HIV-1 TAR with apical loop capturing ground and excited conformational states

Authors

Roy, R., Geng, A., Shi, H., Merriman, D.K., Dethoff, E.A., Salmon, L., Al-Hashimi, H.M.

Assembly

RNA (29-MER)

Entity

1. RNA (29-MER) (polymer, Thiol state: not present), 29 monomers, 9370.525 Da Detail

GGCAGAUCUG AGCCUGGGAG CUCUCUGCC

Formula weight

9370.525 Da

Source organism

Human immunodeficiency virus 1

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 224, ¹³C: 191, ¹⁵N: 59, ³¹P: 29 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	G	H1'	H	5.819	0.002	1
2	1	1	G	H2'	H	4.945	0.002	1
3	1	1	G	H3'	H	4.726	0.003	1
4	1	1	G	H4'	H	4.565	0.002	1
5	1	1	G	H5'	H	4.283	0.002	1
6	1	1	G	H5''	H	4.407	0.002	1
7	1	1	G	H8	H	8.133	0.002	1
8	1	1	G	C1'	C	91.110	0.034	1
9	1	1	G	C2'	C	74.965	0.019	1
10	1	1	G	C3'	C	75.003	0.024	1
11	1	1	G	C4'	C	83.598	0.020	1
12	1	1	G	C5'	C	67.436	0.036	1
13	1	1	G	C8	C	139.054	0.022	1
14	1	1	G	N7	N	232.172	0.000	1
15	1	1	G	N9	N	168.164	0.024	1
16	1	1	G	P	P	-1.889	0.004	1
17	1	2	G	H1	H	13.275	0.000	1
18	1	2	G	H1'	H	5.908	0.002	1
19	1	2	G	H2'	H	4.562	0.000	1
20	1	2	G	H3'	H	4.558	0.002	1
21	1	2	G	H4'	H	4.555	0.001	1
22	1	2	G	H8	H	7.628	0.003	1
23	1	2	G	C1'	C	93.020	0.017	1
24	1	2	G	C2'	C	75.317	0.018	1
25	1	2	G	C3'	C	73.136	0.027	1
26	1	2	G	C4'	C	82.610	0.025	1
27	1	2	G	C8	C	136.892	0.023	1
28	1	2	G	N1	N	148.500	0.000	1
29	1	2	G	N7	N	233.190	0.000	1
30	1	2	G	N9	N	169.237	0.044	1
31	1	2	G	P	P	-0.595	0.056	1
32	1	3	C	H1'	H	5.511	0.004	1
33	1	3	C	H2'	H	4.555	0.004	1
34	1	3	C	H3'	H	4.521	0.003	1
35	1	3	C	H4'	H	4.435	0.004	1
36	1	3	C	H5	H	5.255	0.002	1
37	1	3	C	H5'	H	4.570	0.000	1
38	1	3	C	H5''	H	4.106	0.002	1
39	1	3	C	H6	H	7.657	0.002	1
40	1	3	C	C1'	C	93.807	0.019	1
41	1	3	C	C2'	C	75.385	0.016	1
42	1	3	C	C3'	C	72.215	0.011	1
43	1	3	C	C4'	C	81.835	0.028	1
44	1	3	C	C5	C	97.419	0.000	1
45	1	3	C	C5'	C	64.532	0.011	1
46	1	3	C	C6	C	140.653	0.001	1
47	1	3	C	N1	N	150.521	0.008	1
48	1	3	C	P	P	-1.215	0.033	1
49	1	4	A	H1'	H	5.939	0.002	1
50	1	4	A	H2	H	6.999	0.000	1
51	1	4	A	H2'	H	4.687	0.010	1
52	1	4	A	H3'	H	4.655	0.007	1
53	1	4	A	H4'	H	4.487	0.004	1
54	1	4	A	H5'	H	4.530	0.001	1
55	1	4	A	H5''	H	4.148	0.001	1
56	1	4	A	H8	H	7.944	0.002	1
57	1	4	A	C1'	C	92.944	0.013	1
58	1	4	A	C2	C	152.435	0.011	1
59	1	4	A	C2'	C	75.784	0.031	1
60	1	4	A	C3'	C	73.065	0.023	1
61	1	4	A	C4'	C	81.947	0.024	1
62	1	4	A	C5'	C	65.441	0.039	1
63	1	4	A	C8	C	139.339	0.003	1
64	1	4	A	N1	N	220.664	0.000	1
65	1	4	A	N3	N	213.462	0.000	1
66	1	4	A	N7	N	230.595	0.000	1
67	1	4	A	N9	N	170.451	0.025	1
68	1	4	A	P	P	-0.679	0.054	1
69	1	5	G	H1	H	12.614	0.000	1
70	1	5	G	H1'	H	5.492	0.002	1
71	1	5	G	H2'	H	4.458	0.003	1
72	1	5	G	H3'	H	4.376	0.004	1
73	1	5	G	H4'	H	4.430	0.002	1
74	1	5	G	H5'	H	4.411	0.002	1
75	1	5	G	H5''	H	4.034	0.001	1
76	1	5	G	H8	H	7.054	0.001	1
77	1	5	G	C1'	C	92.625	0.013	1
78	1	5	G	C2'	C	75.423	0.030	1
79	1	5	G	C3'	C	73.319	0.006	1
80	1	5	G	C4'	C	82.214	0.048	1
81	1	5	G	C5'	C	66.272	0.008	1
82	1	5	G	C8	C	135.963	0.021	1
83	1	5	G	N1	N	147.240	0.000	1
84	1	5	G	N7	N	234.231	0.000	1
85	1	5	G	N9	N	168.650	0.024	1
86	1	5	G	P	P	-0.811	0.058	1
87	1	6	A	H1'	H	5.880	0.001	1
88	1	6	A	H2	H	7.561	0.063	1
89	1	6	A	H2'	H	4.379	0.003	1
90	1	6	A	H3'	H	4.431	0.002	1
91	1	6	A	H4'	H	4.433	0.002	1
92	1	6	A	H5'	H	4.427	0.000	1
93	1	6	A	H5''	H	4.046	0.003	1
94	1	6	A	H8	H	7.598	0.006	1
95	1	6	A	C1'	C	92.441	0.018	1
96	1	6	A	C2	C	154.308	0.005	1
97	1	6	A	C2'	C	76.076	0.050	1
98	1	6	A	C3'	C	73.983	0.017	1
99	1	6	A	C4'	C	83.239	0.008	1
100	1	6	A	C5'	C	65.748	0.007	1
101	1	6	A	C8	C	139.572	0.008	1
102	1	6	A	N1	N	223.892	0.390	1
103	1	6	A	N3	N	214.826	0.000	1
104	1	6	A	N7	N	231.271	0.000	1
105	1	6	A	N9	N	169.847	0.031	1
106	1	6	A	P	P	-1.012	0.060	1
107	1	7	U	H1'	H	5.589	0.003	1
108	1	7	U	H2'	H	4.119	0.002	1
109	1	7	U	H3'	H	4.485	0.029	1
110	1	7	U	H4'	H	4.360	0.003	1
111	1	7	U	H5	H	5.323	0.003	1
112	1	7	U	H5'	H	4.031	0.002	1
113	1	7	U	H5''	H	4.248	0.001	1
114	1	7	U	H6	H	7.417	0.002	1
115	1	7	U	C1'	C	90.829	0.007	1
116	1	7	U	C2'	C	75.733	0.035	1
117	1	7	U	C3'	C	76.180	0.018	1
118	1	7	U	C4'	C	84.329	0.025	1
119	1	7	U	C5	C	104.471	0.000	1
120	1	7	U	C5'	C	66.514	0.019	1
121	1	7	U	C6	C	142.006	0.012	1
122	1	7	U	N1	N	143.626	0.005	1
123	1	7	U	P	P	-1.222	0.055	1
124	1	8	C	H1'	H	5.788	0.003	1
125	1	8	C	H2'	H	4.332	0.003	1
126	1	8	C	H3'	H	4.492	0.002	1
127	1	8	C	H4'	H	4.357	0.005	1
128	1	8	C	H5	H	5.874	0.003	1
129	1	8	C	H5'	H	4.085	0.001	1
130	1	8	C	H5''	H	4.208	0.001	1
131	1	8	C	H6	H	7.757	0.003	1
132	1	8	C	C1'	C	92.183	0.012	1
133	1	8	C	C2'	C	75.904	0.021	1
134	1	8	C	C3'	C	75.703	0.028	1
135	1	8	C	C4'	C	83.907	0.016	1
136	1	8	C	C5	C	98.575	0.000	1
137	1	8	C	C5'	C	67.024	0.012	1
138	1	8	C	C6	C	143.334	0.005	1
139	1	8	C	N1	N	151.514	0.010	1
140	1	8	C	P	P	-0.961	0.053	1
141	1	9	U	H1'	H	5.777	0.003	1
142	1	9	U	H2'	H	4.518	0.002	1
143	1	9	U	H3'	H	4.579	0.004	1
144	1	9	U	H4'	H	4.464	0.001	1
145	1	9	U	H5	H	5.796	0.002	1
146	1	9	U	H5'	H	4.294	0.003	1
147	1	9	U	H5''	H	4.138	0.003	1
148	1	9	U	H6	H	7.845	0.006	1
149	1	9	U	C1'	C	92.197	0.015	1
150	1	9	U	C2'	C	75.396	0.021	1
151	1	9	U	C3'	C	75.004	0.041	1
152	1	9	U	C4'	C	83.874	0.015	1
153	1	9	U	C5	C	104.697	0.000	1
154	1	9	U	C5'	C	66.736	0.012	1
155	1	9	U	C6	C	143.114	0.009	1
156	1	9	U	N1	N	145.334	0.013	1
157	1	9	U	P	P	-0.962	0.041	1
158	1	10	G	H1	H	12.436	0.000	1
159	1	10	G	H1'	H	5.803	0.005	1
160	1	10	G	H2'	H	4.788	0.001	1
161	1	10	G	H3'	H	4.679	0.002	1
162	1	10	G	H4'	H	4.530	0.004	1
163	1	10	G	H5'	H	4.423	0.000	1
164	1	10	G	H5''	H	4.199	0.001	1
165	1	10	G	H8	H	7.850	0.004	1
166	1	10	G	C1'	C	92.127	0.036	1
167	1	10	G	C2'	C	75.442	0.039	1
168	1	10	G	C3'	C	74.187	0.045	1
169	1	10	G	C4'	C	82.808	0.017	1
170	1	10	G	C5'	C	66.654	0.026	1
171	1	10	G	C8	C	137.523	0.019	1
172	1	10	G	N1	N	147.385	0.000	1
173	1	10	G	N7	N	233.800	0.000	1
174	1	10	G	N9	N	169.189	0.026	1
175	1	10	G	P	P	-0.612	0.057	1
176	1	11	A	H1'	H	6.038	0.002	1
177	1	11	A	H2	H	7.544	0.002	1
178	1	11	A	H2'	H	4.803	0.005	1
179	1	11	A	H3'	H	4.668	0.004	1
180	1	11	A	H4'	H	4.582	0.003	1
181	1	11	A	H5'	H	4.548	0.000	1
182	1	11	A	H5''	H	4.246	0.000	1
183	1	11	A	H8	H	7.873	0.002	1
184	1	11	A	C1'	C	93.065	0.013	1
185	1	11	A	C2	C	153.442	0.011	1
186	1	11	A	C2'	C	75.646	0.073	1
187	1	11	A	C3'	C	73.390	0.021	1
188	1	11	A	C4'	C	82.395	0.015	1
189	1	11	A	C5'	C	66.107	0.024	1
190	1	11	A	C8	C	139.842	0.001	1
191	1	11	A	N1	N	221.481	0.000	1
192	1	11	A	N3	N	212.349	0.000	1
193	1	11	A	N7	N	229.270	0.000	1
194	1	11	A	N9	N	170.132	0.029	1
195	1	11	A	P	P	-0.695	0.059	1
196	1	12	G	H1	H	13.515	0.000	1
197	1	12	G	H1'	H	5.682	0.002	1
198	1	12	G	H2'	H	4.494	0.002	1
199	1	12	G	H3'	H	4.408	0.004	1
200	1	12	G	H4'	H	4.496	0.003	1
201	1	12	G	H5'	H	4.482	0.004	1
202	1	12	G	H5''	H	4.091	0.003	1
203	1	12	G	H8	H	7.235	0.002	1
204	1	12	G	C1'	C	92.872	0.029	1
205	1	12	G	C2'	C	75.303	0.025	1
206	1	12	G	C3'	C	72.944	0.020	1
207	1	12	G	C4'	C	82.048	0.022	1
208	1	12	G	C5'	C	65.865	0.011	1
209	1	12	G	C8	C	135.701	0.021	1
210	1	12	G	N1	N	148.533	0.000	1
211	1	12	G	N7	N	233.862	0.000	1
212	1	12	G	N9	N	169.048	0.019	1
213	1	12	G	P	P	-0.917	0.058	1
214	1	13	C	H1'	H	5.500	0.002	1
215	1	13	C	H2'	H	4.251	0.005	1
216	1	13	C	H3'	H	4.417	0.002	1
217	1	13	C	H4'	H	4.382	0.003	1
218	1	13	C	H5	H	5.150	0.002	1
219	1	13	C	H5'	H	4.564	0.000	1
220	1	13	C	H5''	H	4.057	0.001	1
221	1	13	C	H6	H	7.531	0.002	1
222	1	13	C	C1'	C	94.451	0.024	1
223	1	13	C	C2'	C	75.470	0.025	1
224	1	13	C	C3'	C	72.117	0.024	1
225	1	13	C	C4'	C	82.057	0.020	1
226	1	13	C	C5	C	97.185	0.000	1
227	1	13	C	C5'	C	64.358	0.012	1
228	1	13	C	C6	C	140.884	0.003	1
229	1	13	C	N1	N	151.125	0.007	1
230	1	13	C	P	P	-1.398	0.055	1
231	1	14	C	H1'	H	5.887	0.003	1
232	1	14	C	H2'	H	4.483	0.102	1
233	1	14	C	H3'	H	4.401	0.068	1
234	1	14	C	H4'	H	4.370	0.005	1
235	1	14	C	H5	H	5.546	0.002	1
236	1	14	C	H5'	H	4.449	0.001	1
237	1	14	C	H5''	H	4.058	0.002	1
238	1	14	C	H6	H	7.655	0.003	1
239	1	14	C	C1'	C	91.879	0.022	1
240	1	14	C	C2'	C	75.377	0.000	1
241	1	14	C	C3'	C	75.879	0.025	1
242	1	14	C	C4'	C	83.868	0.024	1
243	1	14	C	C5	C	98.766	0.000	1
244	1	14	C	C5'	C	65.867	0.014	1
245	1	14	C	C6	C	141.933	0.001	1
246	1	14	C	N1	N	149.709	0.016	1
247	1	14	C	P	P	-1.277	0.047	1
248	1	15	U	H1'	H	5.729	0.002	1
249	1	15	U	H2'	H	4.281	0.008	1
250	1	15	U	H3'	H	4.511	0.003	1
251	1	15	U	H4'	H	4.257	0.001	1
252	1	15	U	H5	H	5.788	0.004	1
253	1	15	U	H5'	H	3.977	0.002	1
254	1	15	U	H6	H	7.753	0.003	1
255	1	15	U	C1'	C	90.985	0.023	1
256	1	15	U	C2'	C	75.580	0.022	1
257	1	15	U	C3'	C	76.442	0.025	1
258	1	15	U	C4'	C	84.819	0.012	1
259	1	15	U	C5	C	105.197	0.000	1
260	1	15	U	C5'	C	67.304	0.017	1
261	1	15	U	C6	C	143.380	0.002	1
262	1	15	U	N1	N	144.161	0.006	1
263	1	15	U	P	P	-0.864	0.050	1
264	1	16	G	H1'	H	5.495	0.003	1
265	1	16	G	H2'	H	4.635	0.005	1
266	1	16	G	H3'	H	4.625	0.005	1
267	1	16	G	H4'	H	4.123	0.001	1
268	1	16	G	H5'	H	4.002	0.000	1
269	1	16	G	H8	H	7.802	0.002	1
270	1	16	G	C1'	C	89.535	0.014	1
271	1	16	G	C2'	C	75.323	0.021	1
272	1	16	G	C3'	C	77.803	0.020	1
273	1	16	G	C4'	C	85.181	0.012	1
274	1	16	G	C5'	C	67.794	0.008	1
275	1	16	G	C8	C	140.596	0.006	1
276	1	16	G	N7	N	235.819	0.000	1
277	1	16	G	N9	N	167.121	0.008	1
278	1	16	G	P	P	-0.608	0.060	1
279	1	17	G	H1'	H	5.515	0.002	1
280	1	17	G	H2'	H	4.521	0.001	1
281	1	17	G	H3'	H	4.663	0.001	1
282	1	17	G	H4'	H	4.004	0.002	1
283	1	17	G	H5'	H	3.896	0.006	1
284	1	17	G	H8	H	7.650	0.002	1
285	1	17	G	C1'	C	89.889	0.010	1
286	1	17	G	C2'	C	75.768	0.058	1
287	1	17	G	C3'	C	77.286	0.043	1
288	1	17	G	C4'	C	84.738	0.018	1
289	1	17	G	C5'	C	67.814	0.009	1
290	1	17	G	C8	C	139.519	0.011	1
291	1	17	G	N7	N	235.620	0.000	1
292	1	17	G	N9	N	168.901	0.020	1
293	1	17	G	P	P	-0.657	0.060	1
294	1	18	G	H1'	H	5.941	0.001	1
295	1	18	G	H2'	H	4.960	0.007	1
296	1	18	G	H3'	H	5.001	0.011	1
297	1	18	G	H4'	H	4.500	0.002	1
298	1	18	G	H5'	H	4.125	0.002	1
299	1	18	G	H5''	H	4.222	0.002	1
300	1	18	G	H8	H	7.902	0.002	1
301	1	18	G	C1'	C	89.374	0.015	1
302	1	18	G	C2'	C	75.679	0.029	1
303	1	18	G	C3'	C	76.405	0.039	1
304	1	18	G	C4'	C	84.546	0.029	1
305	1	18	G	C5'	C	67.577	0.016	1
306	1	18	G	C8	C	138.930	0.014	1
307	1	18	G	N7	N	236.526	0.000	1
308	1	18	G	N9	N	169.149	0.038	1
309	1	18	G	P	P	-0.743	0.059	1
310	1	19	A	H1'	H	6.050	0.003	1
311	1	19	A	H2	H	8.232	0.001	1
312	1	19	A	H2'	H	4.869	0.004	1
313	1	19	A	H3'	H	4.918	0.003	1
314	1	19	A	H4'	H	4.625	0.001	1
315	1	19	A	H5'	H	4.357	0.001	1
316	1	19	A	H8	H	8.424	0.002	1
317	1	19	A	C1'	C	90.735	0.033	1
318	1	19	A	C2'	C	76.205	0.030	1
319	1	19	A	C3'	C	75.857	0.024	1
320	1	19	A	C4'	C	85.084	0.018	1
321	1	19	A	C5'	C	68.255	0.012	1
322	1	19	A	C8	C	142.601	0.019	1
323	1	19	A	N1	N	218.361	0.000	1
324	1	19	A	N3	N	218.361	0.000	1
325	1	19	A	N7	N	232.264	0.000	1
326	1	19	A	N9	N	169.234	0.030	1
327	1	19	A	P	P	-0.414	0.058	1
328	1	20	G	H1	H	13.240	0.000	1
329	1	20	G	H1'	H	5.503	0.003	1
330	1	20	G	H2'	H	4.558	0.003	1
331	1	20	G	H3'	H	4.472	0.002	1
332	1	20	G	H4'	H	4.520	0.003	1
333	1	20	G	H5'	H	4.475	0.001	1
334	1	20	G	H5''	H	4.183	0.001	1
335	1	20	G	H8	H	7.417	0.004	1
336	1	20	G	C1'	C	93.398	0.016	1
337	1	20	G	C2'	C	74.935	0.003	1
338	1	20	G	C3'	C	73.417	0.005	1
339	1	20	G	C4'	C	82.904	0.021	1
340	1	20	G	C5'	C	66.350	0.012	1
341	1	20	G	C8	C	136.810	0.018	1
342	1	20	G	N1	N	148.579	0.000	1
343	1	20	G	N7	N	233.317	0.000	1
344	1	20	G	N9	N	169.050	0.015	1
345	1	20	G	P	P	-0.569	0.394	1
346	1	21	C	H1'	H	5.572	0.007	1
347	1	21	C	H2'	H	4.381	0.005	1
348	1	21	C	H3'	H	4.500	0.008	1
349	1	21	C	H4'	H	4.447	0.001	1
350	1	21	C	H5	H	5.255	0.001	1
351	1	21	C	H5'	H	4.582	0.004	1
352	1	21	C	H5''	H	4.090	0.000	1
353	1	21	C	H6	H	7.789	0.004	1
354	1	21	C	C1'	C	94.070	0.033	1
355	1	21	C	C2'	C	75.469	0.017	1
356	1	21	C	C3'	C	72.050	0.017	1
357	1	21	C	C4'	C	81.943	0.023	1
358	1	21	C	C5	C	96.808	0.000	1
359	1	21	C	C5'	C	64.357	0.014	1
360	1	21	C	C6	C	141.464	0.001	1
361	1	21	C	N1	N	151.445	0.007	1
362	1	21	C	P	P	-1.640	0.055	1
363	1	22	U	H1'	H	5.603	0.005	1
364	1	22	U	H2'	H	4.550	0.004	1
365	1	22	U	H3	H	14.010	0.000	1
366	1	22	U	H3'	H	4.529	0.004	1
367	1	22	U	H4'	H	4.439	0.003	1
368	1	22	U	H5	H	5.433	0.004	1
369	1	22	U	H5'	H	4.573	0.001	1
370	1	22	U	H5''	H	4.108	0.001	1
371	1	22	U	H6	H	7.897	0.005	1
372	1	22	U	C1'	C	93.770	0.019	1
373	1	22	U	C2'	C	75.392	0.052	1
374	1	22	U	C3'	C	72.300	0.029	1
375	1	22	U	C4'	C	82.052	0.037	1
376	1	22	U	C5	C	103.339	0.000	1
377	1	22	U	C5'	C	64.480	0.040	1
378	1	22	U	C6	C	142.062	0.003	1
379	1	22	U	N1	N	146.683	0.021	1
380	1	22	U	N3	N	162.438	0.000	1
381	1	22	U	P	P	-1.198	0.056	1
382	1	23	C	H1'	H	5.625	0.002	1
383	1	23	C	H2'	H	4.376	0.004	1
384	1	23	C	H3'	H	4.349	0.006	1
385	1	23	C	H4'	H	4.473	0.006	1
386	1	23	C	H5	H	5.666	0.000	1
387	1	23	C	H5'	H	4.500	0.002	1
388	1	23	C	H5''	H	4.121	0.000	1
389	1	23	C	H6	H	7.743	0.003	1
390	1	23	C	C1'	C	93.927	0.027	1
391	1	23	C	C2'	C	75.806	0.035	1
392	1	23	C	C3'	C	73.080	0.021	1
393	1	23	C	C4'	C	82.365	0.021	1
394	1	23	C	C5	C	97.966	0.000	1
395	1	23	C	C5'	C	65.598	0.016	1
396	1	23	C	C6	C	141.538	0.000	1
397	1	23	C	N1	N	151.320	0.007	1
398	1	23	C	P	P	-1.050	0.052	1
399	1	24	U	H1'	H	5.669	0.003	1
400	1	24	U	H2'	H	4.333	0.002	1
401	1	24	U	H3'	H	4.561	0.003	1
402	1	24	U	H4'	H	4.410	0.004	1
403	1	24	U	H5	H	5.640	0.004	1
404	1	24	U	H5'	H	4.472	0.001	1
405	1	24	U	H5''	H	4.133	0.001	1
406	1	24	U	H6	H	7.832	0.006	1
407	1	24	U	C1'	C	93.123	0.019	1
408	1	24	U	C2'	C	75.668	0.014	1
409	1	24	U	C3'	C	73.363	0.032	1
410	1	24	U	C4'	C	83.295	0.022	1
411	1	24	U	C5	C	104.433	0.000	1
412	1	24	U	C5'	C	65.175	0.015	1
413	1	24	U	C6	C	141.880	0.004	1
414	1	24	U	N1	N	146.048	0.009	1
415	1	24	U	P	P	-1.258	0.051	1
416	1	25	C	H1'	H	5.493	0.002	1
417	1	25	C	H2'	H	4.377	0.002	1
418	1	25	C	H3'	H	4.471	0.003	1
419	1	25	C	H4'	H	4.451	0.002	1
420	1	25	C	H5	H	5.897	0.001	1
421	1	25	C	H5'	H	4.433	0.000	1
422	1	25	C	H5''	H	4.139	0.002	1
423	1	25	C	H6	H	7.976	0.002	1
424	1	25	C	C1'	C	94.103	0.030	1
425	1	25	C	C2'	C	75.356	0.032	1
426	1	25	C	C3'	C	72.903	0.010	1
427	1	25	C	C4'	C	82.362	0.058	1
428	1	25	C	C5	C	98.201	0.000	1
429	1	25	C	C5'	C	65.407	0.014	1
430	1	25	C	C6	C	142.340	0.000	1
431	1	25	C	N1	N	151.171	0.003	1
432	1	25	C	P	P	-1.071	0.050	1
433	1	26	U	H1'	H	5.489	0.004	1
434	1	26	U	H2'	H	4.598	0.010	1
435	1	26	U	H3	H	13.326	0.000	1
436	1	26	U	H3'	H	4.607	0.003	1
437	1	26	U	H4'	H	4.444	0.003	1
438	1	26	U	H5	H	5.443	0.002	1
439	1	26	U	H5'	H	4.558	0.002	1
440	1	26	U	H5''	H	4.127	0.000	1
441	1	26	U	H6	H	7.874	0.003	1
442	1	26	U	C1'	C	93.604	0.050	1
443	1	26	U	C2'	C	75.133	0.009	1
444	1	26	U	C3'	C	72.595	0.023	1
445	1	26	U	C4'	C	82.155	0.043	1
446	1	26	U	C5	C	103.700	0.000	1
447	1	26	U	C5'	C	64.835	0.006	1
448	1	26	U	C6	C	141.944	0.005	1
449	1	26	U	N1	N	145.716	0.010	1
450	1	26	U	N3	N	162.169	0.000	1
451	1	26	U	P	P	-1.289	0.050	1
452	1	27	G	H1	H	12.510	0.000	1
453	1	27	G	H1'	H	5.793	0.001	1
454	1	27	G	H2'	H	4.488	0.003	1
455	1	27	G	H3'	H	4.608	0.003	1
456	1	27	G	H4'	H	4.482	0.004	1
457	1	27	G	H5'	H	4.536	0.003	1
458	1	27	G	H5''	H	4.143	0.000	1
459	1	27	G	H8	H	7.776	0.006	1
460	1	27	G	C1'	C	92.765	0.023	1
461	1	27	G	C2'	C	75.355	0.011	1
462	1	27	G	C3'	C	72.741	0.019	1
463	1	27	G	C4'	C	81.997	0.022	1
464	1	27	G	C5'	C	65.303	0.069	1
465	1	27	G	C8	C	136.389	0.015	1
466	1	27	G	N1	N	147.762	0.000	1
467	1	27	G	N7	N	234.050	0.000	1
468	1	27	G	N9	N	169.479	0.018	1
469	1	27	G	P	P	-0.986	0.053	1
470	1	28	C	H1'	H	5.469	0.003	1
471	1	28	C	H2'	H	4.217	0.002	1
472	1	28	C	H3'	H	4.433	0.003	1
473	1	28	C	H4'	H	4.380	0.003	1
474	1	28	C	H5	H	5.204	0.003	1
475	1	28	C	H5'	H	4.562	0.002	1
476	1	28	C	H5''	H	4.057	0.002	1
477	1	28	C	H6	H	7.664	0.003	1
478	1	28	C	C1'	C	94.100	0.036	1
479	1	28	C	C2'	C	75.559	0.024	1
480	1	28	C	C3'	C	71.981	0.018	1
481	1	28	C	C4'	C	81.912	0.013	1
482	1	28	C	C5	C	96.905	0.000	1
483	1	28	C	C5'	C	64.358	0.006	1
484	1	28	C	C6	C	141.000	0.023	1
485	1	28	C	N1	N	151.136	0.020	1
486	1	28	C	P	P	-1.429	0.033	1
487	1	29	C	H1'	H	5.747	0.001	1
488	1	29	C	H2'	H	3.996	0.004	1
489	1	29	C	H3'	H	4.161	0.006	1
490	1	29	C	H4'	H	4.151	0.001	1
491	1	29	C	H5	H	5.505	0.004	1
492	1	29	C	H5'	H	4.466	0.003	1
493	1	29	C	H5''	H	4.016	0.002	1
494	1	29	C	H6	H	7.650	0.007	1
495	1	29	C	C1'	C	92.926	0.017	1
496	1	29	C	C2'	C	77.548	0.011	1
497	1	29	C	C3'	C	69.655	0.014	1
498	1	29	C	C4'	C	83.387	0.013	1
499	1	29	C	C5	C	98.174	0.000	1
500	1	29	C	C5'	C	65.085	0.026	1
501	1	29	C	C6	C	141.719	0.006	1
502	1	29	C	N1	N	152.433	0.010	1
503	1	29	C	P	P	-1.135	0.044	1

Release date

2023-10-01

Citation

Kinetic Resolution of the Atomic 3D Structures Formed by Ground and Excited Conformational States in an RNA Dynamic Ensemble
Roy, R., Geng, A., Shi, H., Merriman, D.K., Dethoff, E.A., Salmon, L., Al-Hashimi, H.M.
J. Am. Chem. Soc. (2023), 145, 22964-22978, PubMed 37831584 , DOI 10.1021/jacs.3c04614 , Abstract

Entries sharing articles BMRB: 2 entries Detail

  BMRB: 52052 released on 2023-07-23
    Title Residual dipolar couplings measured on HIV-1 TAR ES1 mutant C30U using Pf1 phage alignment media for validating FARFAR-NMR ensemble
  BMRB: 52053 released on 2023-07-23
    Title Residual dipolar couplings measured on HIV-1 TAR ES1 mutant A35G using Pf1 phage alignment media for validating FARFAR-NMR ensemble

Related entities 1. RNA (29-MER), : 1 : 13 : 9 : 4 entities Detail

Experiments performed 17 experiments Detail

1 2D 13C-1H S3CT HSQC

Instrument

Bruker AVANCE - 600 MHz HCN cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1.0 mM 13C, 15N E0_wt_TAR RNA (29-MER), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	E0_wt_TAR RNA (29-MER)	[U-13C; U-15N]	1.0 mM
2	D2O	natural abundance	10 %
3	sodium phosphate	natural abundance	15 mM
4	sodium chloride	natural abundance	25 mM
5	EDTA	natural abundance	0.1 mM

2 2D 13C-1H S3CT HSQC

Instrument

Bruker AVANCE - 600 MHz HCN cryoprobe

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1.0 mM 13C, 15N E0_wt_TAR RNA (29-MER), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	E0_wt_TAR RNA (29-MER)	[U-13C; U-15N]	1.0 mM
2	D2O	natural abundance	10 %
3	sodium phosphate	natural abundance	15 mM
4	sodium chloride	natural abundance	25 mM
5	EDTA	natural abundance	0.1 mM

3 2D 13C-1H S3CT HSQC

Instrument

Agilent Varian - 800 MHz HCN cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1.0 mM 13C, 15N EI22_wt_TAR RNA (29-MER), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
6	EI22_wt_TAR RNA (29-MER)	[U-13C; U-15N]	1.0 mM
7	D2O	natural abundance	10 %
8	sodium phosphate	natural abundance	15 mM
9	sodium chloride	natural abundance	25 mM
10	EDTA	natural abundance	0.1 mM

4 2D 13C-1H S3CT HSQC

Instrument

Agilent Varian - 800 MHz HCN cryoprobe

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1.0 mM 13C, 15N EI22_wt_TAR RNA (29-MER), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
6	EI22_wt_TAR RNA (29-MER)	[U-13C; U-15N]	1.0 mM
7	D2O	natural abundance	10 %
8	sodium phosphate	natural abundance	15 mM
9	sodium chloride	natural abundance	25 mM
10	EDTA	natural abundance	0.1 mM

5 2D 13C-1H S3CT HSQC

Instrument

Agilent Varian - 600 MHz HCN cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1.0 mM 13C, 15N EII3_wt_TAR RNA (29-MER), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	EII3_wt_TAR RNA (29-MER)	[U-13C; U-15N]	1.0 mM
12	D2O	natural abundance	10 %
13	sodium phosphate	natural abundance	15 mM
14	sodium chloride	natural abundance	25 mM
15	EDTA	natural abundance	0.1 mM

6 2D 13C-1H S3CT HSQC

Instrument

Agilent Varian - 600 MHz HCN cryoprobe

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1.0 mM 13C, 15N EII3_wt_TAR RNA (29-MER), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	EII3_wt_TAR RNA (29-MER)	[U-13C; U-15N]	1.0 mM
12	D2O	natural abundance	10 %
13	sodium phosphate	natural abundance	15 mM
14	sodium chloride	natural abundance	25 mM
15	EDTA	natural abundance	0.1 mM

7 2D 13C-1H TROSY HSQC

Instrument

Bruker AVANCE - 600 MHz HCN cryoprobe

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1.0 mM 13C, 15N EII13_wt_TAR RNA (29-MER), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
16	EII13_wt_TAR RNA (29-MER)	[U-13C; U-15N]	1.0 mM
17	D2O	natural abundance	10 %
18	sodium phosphate	natural abundance	15 mM
19	sodium chloride	natural abundance	25 mM
20	EDTA	natural abundance	0.1 mM

8 2D 13C-1H TROSY HSQC

Instrument

Bruker AVANCE - 600 MHz HCN cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1.0 mM 13C, 15N EII13_wt_TAR RNA (29-MER), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
16	EII13_wt_TAR RNA (29-MER)	[U-13C; U-15N]	1.0 mM
17	D2O	natural abundance	10 %
18	sodium phosphate	natural abundance	15 mM
19	sodium chloride	natural abundance	25 mM
20	EDTA	natural abundance	0.1 mM

9 2D 13C-1H TROSY HSQC

Instrument

Agilent Varian - 600 MHz HCN cryoprobe

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1.0 mM 13C, 15N EII3_wt_TAR RNA (29-MER), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	EII3_wt_TAR RNA (29-MER)	[U-13C; U-15N]	1.0 mM
12	D2O	natural abundance	10 %
13	sodium phosphate	natural abundance	15 mM
14	sodium chloride	natural abundance	25 mM
15	EDTA	natural abundance	0.1 mM

10 2D 13C-1H TROSY HSQC

Instrument

Agilent Varian - 600 MHz HCN cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1.0 mM 13C, 15N EII3_wt_TAR RNA (29-MER), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	EII3_wt_TAR RNA (29-MER)	[U-13C; U-15N]	1.0 mM
12	D2O	natural abundance	10 %
13	sodium phosphate	natural abundance	15 mM
14	sodium chloride	natural abundance	25 mM
15	EDTA	natural abundance	0.1 mM

11 2D 13C-1H TROSY HSQC

Instrument

Agilent Varian - 800 MHz HCN cryoprobe

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1.0 mM 13C, 15N EI22_wt_TAR RNA (29-MER), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
6	EI22_wt_TAR RNA (29-MER)	[U-13C; U-15N]	1.0 mM
7	D2O	natural abundance	10 %
8	sodium phosphate	natural abundance	15 mM
9	sodium chloride	natural abundance	25 mM
10	EDTA	natural abundance	0.1 mM

12 2D 13C-1H TROSY HSQC

Instrument

Agilent Varian - 800 MHz HCN cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1.0 mM 13C, 15N EI22_wt_TAR RNA (29-MER), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
6	EI22_wt_TAR RNA (29-MER)	[U-13C; U-15N]	1.0 mM
7	D2O	natural abundance	10 %
8	sodium phosphate	natural abundance	15 mM
9	sodium chloride	natural abundance	25 mM
10	EDTA	natural abundance	0.1 mM

13 2D 13C-1H TROSY HSQC

Instrument

Bruker AVANCE - 600 MHz HCN cryoprobe

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1.0 mM 13C, 15N E0_wt_TAR RNA (29-MER), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	E0_wt_TAR RNA (29-MER)	[U-13C; U-15N]	1.0 mM
2	D2O	natural abundance	10 %
3	sodium phosphate	natural abundance	15 mM
4	sodium chloride	natural abundance	25 mM
5	EDTA	natural abundance	0.1 mM

14 2D 13C-1H TROSY HSQC

Instrument

Bruker AVANCE - 600 MHz HCN cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1.0 mM 13C, 15N E0_wt_TAR RNA (29-MER), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	E0_wt_TAR RNA (29-MER)	[U-13C; U-15N]	1.0 mM
2	D2O	natural abundance	10 %
3	sodium phosphate	natural abundance	15 mM
4	sodium chloride	natural abundance	25 mM
5	EDTA	natural abundance	0.1 mM

15 2D 13C-1H S3CT HSQC

Instrument

Bruker AVANCE - 600 MHz HCN cryoprobe

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1.0 mM 13C, 15N EII13_wt_TAR RNA (29-MER), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
16	EII13_wt_TAR RNA (29-MER)	[U-13C; U-15N]	1.0 mM
17	D2O	natural abundance	10 %
18	sodium phosphate	natural abundance	15 mM
19	sodium chloride	natural abundance	25 mM
20	EDTA	natural abundance	0.1 mM

16 2D 13C-1H S3CT HSQC

Instrument

Bruker AVANCE - 600 MHz HCN cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1.0 mM 13C, 15N EII13_wt_TAR RNA (29-MER), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
16	EII13_wt_TAR RNA (29-MER)	[U-13C; U-15N]	1.0 mM
17	D2O	natural abundance	10 %
18	sodium phosphate	natural abundance	15 mM
19	sodium chloride	natural abundance	25 mM
20	EDTA	natural abundance	0.1 mM

17 2D 1H-1H NOESY

Instrument

Bruker AVANCE - 600 MHz HCN cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1.0 mM 13C, 15N E0_wt_TAR RNA (29-MER), 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	E0_wt_TAR RNA (29-MER)	[U-13C; U-15N]	1.0 mM
2	D2O	natural abundance	10 %
3	sodium phosphate	natural abundance	15 mM
4	sodium chloride	natural abundance	25 mM
5	EDTA	natural abundance	0.1 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr31099_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	OK

Disulfide bonds

None

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

None

Non-standard residues

None

Content subtype: bmr31099_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	503		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: OK

Sequence coverage of experimental data

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

--------10--------20---------
GGCAGAUCUGAGCCUGGGAGCUCUCUGCC
|||||||||||||||||||||||||||||
GGCAGAUCUGAGCCUGGGAGCUCUCUGCC

Total number of assignments
- ¹H chemical shifts: 224
- ¹³C chemical shifts: 191
- ¹⁵N chemical shifts: 59
- ³¹P chemical shifts: 29

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
1	G	N7	232.172
1	G	N9	168.164
1	G	P	-1.889
2	G	N7	233.19
2	G	N9	169.237
2	G	P	-0.595
3	C	N1	150.521
3	C	P	-1.215
4	A	N1	220.664
4	A	N3	213.462
4	A	N7	230.595
4	A	N9	170.451
4	A	P	-0.679
5	G	N7	234.231
5	G	N9	168.65
5	G	P	-0.811
6	A	N1	223.892
6	A	N3	214.826
6	A	N7	231.271
6	A	N9	169.847
6	A	P	-1.012
7	U	N1	143.626
7	U	P	-1.222
8	C	N1	151.514
8	C	P	-0.961
9	U	N1	145.334
9	U	P	-0.962
10	G	N7	233.8
10	G	N9	169.189
10	G	P	-0.612
11	A	N1	221.481
11	A	N3	212.349
11	A	N7	229.27
11	A	N9	170.132
11	A	P	-0.695
12	G	N7	233.862
12	G	N9	169.048
12	G	P	-0.917
13	C	N1	151.125
13	C	P	-1.398
14	C	N1	149.709
14	C	P	-1.277
15	U	N1	144.161
15	U	P	-0.864
16	G	N7	235.819
16	G	N9	167.121
16	G	P	-0.608
17	G	N7	235.62
17	G	N9	168.901
17	G	P	-0.657
18	G	N7	236.526
18	G	N9	169.149
18	G	P	-0.743
19	A	N1	218.361
19	A	N3	218.361
19	A	N7	232.264
19	A	N9	169.234
19	A	P	-0.414
20	G	N7	233.317
20	G	N9	169.05
20	G	P	-0.569
21	C	N1	151.445
21	C	P	-1.64
22	U	N1	146.683
22	U	P	-1.198
23	C	N1	151.32
23	C	P	-1.05
24	U	N1	146.048
24	U	P	-1.258
25	C	N1	151.171
25	C	P	-1.071
26	U	N1	145.716
26	U	P	-1.289
27	G	N7	234.05
27	G	N9	169.479
27	G	P	-0.986
28	C	N1	151.136
28	C	P	-1.429
29	C	N1	152.433
29	C	P	-1.135

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	256	224	87.5
¹³C chemical shifts	193	191	99.0
¹⁵N chemical shifts	16	8	50.0

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	174	168	96.6
¹³C chemical shifts	145	144	99.3

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	82	56	68.3
¹³C chemical shifts	48	47	97.9
¹⁵N chemical shifts	16	8	50.0

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	18	18	100.0
¹³C chemical shifts	18	17	94.4

Histogram of normalized assigned chemical shifts

Keywords Excited Conformational States, HIV-1 TAR, RNA, Viral RNA

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Found 1 Document (0.343 seconds)

BMRB: 31099

Entries sharing articles BMRB: 2 entries Detail

Related entities 1. RNA (29-MER), : 1 : 13 : 9 : 4 entities Detail

Experiments performed 17 experiments Detail

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Chemical shift validation 3 contents Detail