BMRBj - BMREntryMaster

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	DC	H1'	H	5.752	0.01	1
2	1	1	DC	H2'	H	1.859	0.01	1
3	1	1	DC	H2''	H	2.358	0.01	1
4	1	1	DC	H3'	H	4.685	0.01	1
5	1	1	DC	H4'	H	4.061	0.01	1
6	1	1	DC	H5	H	5.911	0.01	1
7	1	1	DC	H5'	H	3.699	0.01	2
8	1	1	DC	H6	H	7.598	0.01	1
9	1	2	DG	H1'	H	5.526	0.01	1
10	1	2	DG	H2'	H	2.692	0.01	1
11	1	2	DG	H2''	H	2.745	0.01	1
12	1	2	DG	H3'	H	4.978	0.01	1
13	1	2	DG	H4'	H	4.313	0.01	1
14	1	2	DG	H5'	H	4.076	0.01	2
15	1	2	DG	H5''	H	3.966	0.01	2
16	1	2	DG	H8	H	7.915	0.01	1
17	1	2	DG	P	P	-3.925	0.05	1
18	1	3	DG	H1'	H	5.995	0.01	1
19	1	3	DG	H2'	H	2.598	0.01	1
20	1	3	DG	H2''	H	2.701	0.01	1
21	1	3	DG	H3'	H	5.058	0.01	1
22	1	3	DG	H4'	H	4.473	0.01	1
23	1	3	DG	H5''	H	4.160	0.01	2
24	1	3	DG	H8	H	7.812	0.01	1
25	1	3	DG	P	P	-3.824	0.05	1
26	1	4	DC	H1'	H	6.021	0.01	1
27	1	4	DC	H2'	H	1.363	0.01	1
28	1	4	DC	H2''	H	2.354	0.01	1
29	1	4	DC	H3'	H	4.844	0.01	1
30	1	4	DC	H4'	H	4.242	0.01	1
31	1	4	DC	H5	H	5.272	0.01	1
32	1	4	DC	H6	H	6.970	0.01	1
33	1	4	DC	P	P	-3.983	0.05	1
34	1	5	DC	H1'	H	6.173	0.01	1
35	1	5	DC	H2'	H	2.041	0.01	1
36	1	5	DC	H2''	H	1.747	0.01	1
37	1	5	DC	H3'	H	4.985	0.01	1
38	1	5	DC	H4'	H	4.171	0.01	1
39	1	5	DC	H5	H	4.847	0.01	1
40	1	5	DC	H6	H	7.249	0.01	1
41	1	5	DC	P	P	-4.292	0.05	1
42	1	6	DG	H1'	H	6.005	0.01	1
43	1	6	DG	H2'	H	2.795	0.01	1
44	1	6	DG	H2''	H	2.891	0.01	1
45	1	6	DG	H3'	H	5.066	0.01	1
46	1	6	DG	H4'	H	4.483	0.01	1
47	1	6	DG	H5'	H	4.176	0.01	2
48	1	6	DG	H5''	H	4.058	0.01	2
49	1	6	DG	H8	H	8.229	0.01	1
50	1	6	DG	P	P	-4.604	0.05	1
51	1	7	DT	H1'	H	6.875	0.01	1
52	1	7	DT	H2'	H	2.127	0.01	1
53	1	7	DT	H2''	H	2.551	0.01	1
54	1	7	DT	H3'	H	4.979	0.01	1
55	1	7	DT	H4'	H	4.474	0.01	1
56	1	7	DT	H6	H	7.417	0.01	1
57	1	7	DT	H71	H	1.403	0.01	3
58	1	7	DT	H72	H	1.403	0.01	3
59	1	7	DT	H73	H	1.403	0.01	3
60	1	7	DT	P	P	-4.266	0.05	1
61	1	8	DC	H1'	H	5.994	0.01	1
62	1	8	DC	H2'	H	1.870	0.01	1
63	1	8	DC	H3'	H	4.870	0.01	1
64	1	8	DC	H4'	H	4.251	0.01	1
65	1	8	DC	H5	H	5.350	0.01	1
66	1	8	DC	H5'	H	4.138	0.01	2
67	1	8	DC	H6	H	7.229	0.01	1
68	1	8	DC	P	P	-4.168	0.05	1
69	1	9	DG	H1'	H	5.342	0.01	1
70	1	9	DG	H2'	H	2.726	0.01	1
71	1	9	DG	H2''	H	2.566	0.01	1
72	1	9	DG	H3'	H	4.935	0.01	1
73	1	9	DG	H4'	H	4.535	0.01	1
74	1	9	DG	H5''	H	4.175	0.01	2
75	1	9	DG	H8	H	8.160	0.01	1
76	1	9	DG	P	P	-4.716	0.05	1
77	1	10	DA	H1'	H	5.976	0.01	1
78	1	10	DA	H2'	H	2.269	0.01	1
79	1	10	DA	H2''	H	2.326	0.01	1
80	1	10	DA	H3'	H	4.590	0.01	1
81	1	10	DA	H4'	H	2.088	0.01	1
82	1	10	DA	H5'	H	3.401	0.01	2
83	1	10	DA	H5''	H	3.124	0.01	2
84	1	10	DA	H8	H	8.159	0.01	1
85	1	11	DA	H1'	H	6.244	0.01	1
86	1	11	DA	H2'	H	2.936	0.01	1
87	1	11	DA	H2''	H	2.843	0.01	1
88	1	11	DA	H3'	H	4.857	0.01	1
89	1	11	DA	H4'	H	4.367	0.01	1
90	1	11	DA	H5'	H	4.012	0.01	2
91	1	11	DA	H5''	H	3.858	0.01	2
92	1	11	DA	H8	H	7.968	0.01	1
93	1	11	DA	P	P	-4.515	0.05	1
94	1	12	DG	H1'	H	5.117	0.01	1
95	1	12	DG	H2'	H	2.736	0.01	1
96	1	12	DG	H2''	H	2.654	0.01	1
97	1	12	DG	H3'	H	4.971	0.01	1
98	1	12	DG	H4'	H	4.416	0.01	1
99	1	12	DG	H5'	H	4.291	0.01	2
100	1	12	DG	H5''	H	4.156	0.01	2
101	1	12	DG	H8	H	8.102	0.01	1
102	1	12	DG	P	P	-4.913	0.05	1
103	1	13	DA	H1'	H	6.521	0.01	1
104	1	13	DA	H2	H	8.124	0.01	1
105	1	13	DA	H2'	H	2.788	0.01	1
106	1	13	DA	H2''	H	3.155	0.01	1
107	1	13	DA	H3'	H	5.160	0.01	1
108	1	13	DA	H4'	H	4.601	0.01	1
109	1	13	DA	H5'	H	4.283	0.01	2
110	1	13	DA	H5''	H	4.186	0.01	2
111	1	13	DA	H8	H	8.367	0.01	1
112	1	13	DA	P	P	-3.129	0.05	1
113	1	14	DC	H1'	H	6.139	0.01	1
114	1	14	DC	H2'	H	2.045	0.01	1
115	1	14	DC	H2''	H	2.852	0.01	1
116	1	14	DC	H3'	H	5.002	0.01	1
117	1	14	DC	H4'	H	4.347	0.01	1
118	1	14	DC	H5	H	5.270	0.01	1
119	1	14	DC	H6	H	7.324	0.01	1
120	1	14	DC	P	P	-4.280	0.05	1
121	1	15	DC	H1'	H	6.417	0.01	1
122	1	15	DC	H2'	H	2.137	0.01	2
123	1	15	DC	H2''	H	3.137	0.01	2
124	1	15	DC	H3'	H	4.674	0.01	1
125	1	15	DC	H4'	H	4.527	0.01	1
126	1	15	DC	H5	H	6.422	0.01	1
127	1	15	DC	H5''	H	4.269	0.01	2
128	1	15	DC	H6	H	8.505	0.01	1
129	1	15	DC	P	P	-3.343	0.05	1
130	1	16	DC	H1'	H	5.505	0.01	1
131	1	16	DC	H2'	H	2.295	0.01	2
132	1	16	DC	H2''	H	1.570	0.01	2
133	1	16	DC	H3'	H	4.825	0.01	1
134	1	16	DC	H4'	H	3.713	0.01	1
135	1	16	DC	H5	H	6.046	0.01	1
136	1	16	DC	H5'	H	3.614	0.01	2
137	1	16	DC	H5''	H	3.559	0.01	2
138	1	16	DC	H6	H	7.595	0.01	1
139	1	16	DC	P	P	-3.320	0.05	1
140	1	17	DG	H1'	H	5.552	0.01	1
141	1	17	DG	H2'	H	2.511	0.01	2
142	1	17	DG	H2''	H	2.389	0.01	2
143	1	17	DG	H3'	H	4.316	0.01	1
144	1	17	DG	H4'	H	3.891	0.01	1
145	1	17	DG	H8	H	7.488	0.01	1
146	1	17	DG	P	P	-6.659	0.05	1
147	1	18	DC	H1'	H	6.038	0.01	1
148	1	18	DC	H2'	H	1.421	0.01	1
149	1	18	DC	H2''	H	2.449	0.01	1
150	1	18	DC	H3'	H	4.728	0.01	1
151	1	18	DC	H4'	H	4.258	0.01	1
152	1	18	DC	H5	H	4.888	0.01	1
153	1	18	DC	H5'	H	4.015	0.01	2
154	1	18	DC	H5''	H	3.848	0.01	2
155	1	18	DC	H6	H	6.818	0.01	1
156	1	18	DC	P	P	-9.983	0.05	1
157	1	19	DG	H1'	H	5.563	0.01	1
158	1	19	DG	H2'	H	2.627	0.01	2
159	1	19	DG	H3'	H	4.944	0.01	1
160	1	19	DG	H4'	H	4.444	0.01	1
161	1	19	DG	H5''	H	4.030	0.01	2
162	1	19	DG	H8	H	8.161	0.01	1
163	1	19	DG	P	P	-4.432	0.05	1
164	1	20	DA	H1'	H	6.031	0.01	1
165	1	20	DA	H2	H	8.102	0.01	1
166	1	20	DA	H2'	H	2.255	0.01	1
167	1	20	DA	H2''	H	2.343	0.01	1
168	1	20	DA	H3'	H	4.599	0.01	1
169	1	20	DA	H4'	H	2.193	0.01	1
170	1	20	DA	H5'	H	3.416	0.01	2
171	1	20	DA	H5''	H	3.071	0.01	2
172	1	20	DA	H8	H	8.026	0.01	1
173	1	21	DA	H1'	H	6.424	0.01	1
174	1	21	DA	H2'	H	2.730	0.01	1
175	1	21	DA	H2''	H	3.009	0.01	1
176	1	21	DA	H3'	H	4.875	0.01	1
177	1	21	DA	H4'	H	4.401	0.01	1
178	1	21	DA	H5'	H	4.013	0.01	2
179	1	21	DA	H5''	H	3.773	0.01	2
180	1	21	DA	H8	H	8.079	0.01	1
181	1	21	DA	P	P	-4.559	0.05	1
182	1	22	DG	H1'	H	5.788	0.01	1
183	1	22	DG	H2'	H	2.536	0.01	1
184	1	22	DG	H2''	H	2.840	0.01	1
185	1	22	DG	H3'	H	4.937	0.01	1
186	1	22	DG	H4'	H	4.453	0.01	1
187	1	22	DG	H5'	H	4.367	0.01	2
188	1	22	DG	H5''	H	4.197	0.01	2
189	1	22	DG	H8	H	8.072	0.01	1
190	1	22	DG	P	P	-4.841	0.05	1
191	1	23	DT	H1'	H	5.901	0.01	1
192	1	23	DT	H2'	H	2.252	0.01	1
193	1	23	DT	H2''	H	2.547	0.01	1
194	1	23	DT	H3'	H	4.753	0.01	1
195	1	23	DT	H4'	H	4.345	0.01	1
196	1	23	DT	H5''	H	4.088	0.01	2
197	1	23	DT	H6	H	7.224	0.01	1
198	1	23	DT	H71	H	1.628	0.01	3
199	1	23	DT	H72	H	1.628	0.01	3
200	1	23	DT	H73	H	1.628	0.01	3
201	1	23	DT	P	P	-4.477	0.05	1
202	1	24	DG	H1'	H	5.822	0.01	1
203	1	24	DG	H2'	H	2.379	0.01	1
204	1	24	DG	H2''	H	2.665	0.01	1
205	1	24	DG	H3'	H	4.941	0.01	1
206	1	24	DG	H4'	H	4.352	0.01	1
207	1	24	DG	H8	H	7.605	0.01	1
208	1	24	DG	P	P	-3.812	0.05	1
209	1	25	DG	H1'	H	5.966	0.01	1
210	1	25	DG	H2'	H	2.616	0.01	1
211	1	25	DG	H2''	H	2.762	0.01	1
212	1	25	DG	H3'	H	5.004	0.01	1
213	1	25	DG	H4'	H	4.438	0.01	1
214	1	25	DG	H8	H	7.815	0.01	1
215	1	25	DG	P	P	-4.116	0.05	1
216	1	26	DC	H1'	H	5.986	0.01	1
217	1	26	DC	H2'	H	2.057	0.01	1
218	1	26	DC	H2''	H	2.460	0.01	1
219	1	26	DC	H3'	H	4.838	0.01	1
220	1	26	DC	H4'	H	4.211	0.01	1
221	1	26	DC	H5	H	5.295	0.01	1
222	1	26	DC	H5''	H	4.170	0.01	2
223	1	26	DC	H6	H	7.363	0.01	1
224	1	26	DC	P	P	-4.080	0.05	1
225	1	27	DC	H1'	H	5.662	0.01	1
226	1	27	DC	H2'	H	2.006	0.01	1
227	1	27	DC	H2''	H	2.356	0.01	1
228	1	27	DC	H3'	H	4.843	0.01	1
229	1	27	DC	H4'	H	4.123	0.01	1
230	1	27	DC	H5	H	5.666	0.01	1
231	1	27	DC	H5''	H	4.095	0.01	2
232	1	27	DC	H6	H	7.482	0.01	1
233	1	27	DC	P	P	-4.016	0.05	1
234	1	28	DG	H1'	H	6.214	0.01	1
235	1	28	DG	H2'	H	2.661	0.01	1
236	1	28	DG	H2''	H	2.407	0.01	1
237	1	28	DG	H3'	H	4.715	0.01	1
238	1	28	DG	H4'	H	4.215	0.01	1
239	1	28	DG	H5''	H	4.104	0.01	2
240	1	28	DG	H8	H	7.986	0.01	1
241	1	28	DG	P	P	-3.658	0.05	1

Chemical Shifts 2

¹H: 153, ³¹P: 11 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
242	1	1	DC	H1'	H	5.732	0.01	1
243	1	1	DC	H2'	H	1.839	0.01	1
244	1	1	DC	H2''	H	2.336	0.01	1
245	1	1	DC	H3'	H	4.667	0.01	1
246	1	1	DC	H4'	H	4.048	0.01	1
247	1	1	DC	H5	H	5.885	0.01	1
248	1	1	DC	H5'	H	3.684	0.01	2
249	1	1	DC	H6	H	7.574	0.01	1
250	1	2	DG	H1'	H	5.492	0.01	1
251	1	2	DG	H3'	H	4.954	0.01	1
252	1	2	DG	H4'	H	4.293	0.01	1
253	1	2	DG	H5''	H	3.949	0.01	2
254	1	2	DG	H8	H	7.882	0.01	1
255	1	2	DG	P	P	-3.946	0.05	1
256	1	3	DG	H1'	H	5.958	0.01	1
257	1	3	DG	H2'	H	2.571	0.01	1
258	1	3	DG	H2''	H	2.649	0.01	1
259	1	3	DG	H3'	H	5.037	0.01	1
260	1	3	DG	H4'	H	4.457	0.01	1
261	1	3	DG	H5''	H	4.139	0.01	2
262	1	3	DG	H8	H	7.773	0.01	1
263	1	3	DG	P	P	-3.851	0.05	1
264	1	4	DC	H1'	H	6.028	0.01	1
265	1	4	DC	H2'	H	1.382	0.01	1
266	1	4	DC	H2''	H	2.395	0.01	1
267	1	4	DC	H3'	H	4.912	0.01	1
268	1	4	DC	H4'	H	4.274	0.01	1
269	1	4	DC	H5	H	5.188	0.01	1
270	1	4	DC	H6	H	6.945	0.01	1
271	1	4	DC	P	P	-3.998	0.05	1
272	1	5	DC	H1'	H	6.016	0.01	1
273	1	5	DC	H3'	H	5.315	0.01	1
274	1	5	DC	H5	H	4.654	0.01	1
275	1	5	DC	H6	H	7.280	0.01	1
276	1	6	DG	H2'	H	4.321	0.01	1
277	1	6	DG	H2''	H	5.256	0.01	1
278	1	6	DG	H8	H	9.250	0.01	1
279	1	6	DG	P	P	-4.241	0.05	1
280	1	7	DT	H2'	H	3.301	0.01	1
281	1	7	DT	H2''	H	3.138	0.01	1
282	1	7	DT	H6	H	9.427	0.01	1
283	1	7	DT	H71	H	2.481	0.01	3
284	1	7	DT	H72	H	2.481	0.01	3
285	1	7	DT	H73	H	2.481	0.01	3
286	1	8	DC	H1'	H	5.973	0.01	1
287	1	8	DC	H2'	H	1.981	0.01	1
288	1	8	DC	H2''	H	2.314	0.01	1
289	1	8	DC	H5	H	5.874	0.01	1
290	1	8	DC	H6	H	7.549	0.01	1
291	1	9	DG	H1'	H	5.412	0.01	1
292	1	9	DG	H2'	H	2.745	0.01	1
293	1	9	DG	H2''	H	2.606	0.01	1
294	1	9	DG	H3'	H	4.916	0.01	1
295	1	9	DG	H4'	H	4.505	0.01	1
296	1	9	DG	H8	H	8.221	0.01	1
297	1	10	DA	H1'	H	6.059	0.01	1
298	1	10	DA	H2'	H	2.312	0.01	1
299	1	10	DA	H2''	H	2.361	0.01	1
300	1	10	DA	H3'	H	4.613	0.01	1
301	1	10	DA	H4'	H	2.125	0.01	1
302	1	10	DA	H5'	H	3.385	0.01	2
303	1	10	DA	H5''	H	3.101	0.01	2
304	1	10	DA	H8	H	8.195	0.01	1
305	1	11	DA	H1'	H	6.255	0.01	1
306	1	11	DA	H2	H	8.117	0.01	1
307	1	11	DA	H2'	H	2.983	0.01	1
308	1	11	DA	H2''	H	2.885	0.01	1
309	1	11	DA	H3'	H	4.892	0.01	1
310	1	11	DA	H8	H	8.016	0.01	1
311	1	12	DG	H1'	H	5.076	0.01	1
312	1	12	DG	H2'	H	2.759	0.01	1
313	1	12	DG	H2''	H	2.649	0.01	1
314	1	12	DG	H3'	H	4.956	0.01	1
315	1	12	DG	H4'	H	4.383	0.01	1
316	1	12	DG	H5'	H	4.282	0.01	2
317	1	12	DG	H5''	H	4.152	0.01	2
318	1	12	DG	H8	H	8.173	0.01	1
319	1	12	DG	P	P	-4.919	0.05	1
320	1	13	DA	H1'	H	6.231	0.01	1
321	1	13	DA	H2	H	7.679	0.01	1
322	1	13	DA	H2'	H	2.625	0.01	1
323	1	13	DA	H2''	H	2.911	0.01	1
324	1	13	DA	H3'	H	5.016	0.01	1
325	1	13	DA	H4'	H	4.447	0.01	1
326	1	13	DA	H5'	H	4.188	0.01	2
327	1	13	DA	H5''	H	4.099	0.01	2
328	1	13	DA	H8	H	8.277	0.01	1
329	1	13	DA	P	P	-3.163	0.05	1
330	1	14	DC	H1'	H	4.928	0.01	1
331	1	14	DC	H2'	H	1.561	0.01	1
332	1	14	DC	H2''	H	2.053	0.01	1
333	1	14	DC	H5	H	5.077	0.01	1
334	1	14	DC	H6	H	6.941	0.01	1
335	1	14	DC	P	P	-4.495	0.05	1
336	1	16	DC	H1'	H	5.585	0.01	1
337	1	16	DC	H5	H	6.031	0.01	1
338	1	16	DC	H6	H	7.591	0.01	1
339	1	19	DG	H1'	H	6.249	0.01	1
340	1	19	DG	H2'	H	3.373	0.01	2
341	1	19	DG	H2''	H	3.272	0.01	2
342	1	19	DG	H3'	H	5.202	0.01	1
343	1	19	DG	H8	H	8.006	0.01	1
344	1	20	DA	H1'	H	6.460	0.01	1
345	1	20	DA	H2'	H	2.668	0.01	1
346	1	20	DA	H3'	H	4.843	0.01	1
347	1	20	DA	H4'	H	2.504	0.01	1
348	1	20	DA	H5'	H	3.628	0.01	2
349	1	20	DA	H5''	H	3.365	0.01	2
350	1	20	DA	H8	H	8.699	0.01	1
351	1	21	DA	H1'	H	6.503	0.01	1
352	1	21	DA	H2	H	8.265	0.01	1
353	1	21	DA	H2'	H	2.931	0.01	1
354	1	21	DA	H2''	H	3.136	0.01	1
355	1	21	DA	H8	H	8.324	0.01	1
356	1	22	DG	H1'	H	5.865	0.01	1
357	1	22	DG	H2'	H	2.581	0.01	1
358	1	22	DG	H2''	H	2.882	0.01	1
359	1	22	DG	H3'	H	4.968	0.01	1
360	1	22	DG	H4'	H	4.518	0.01	1
361	1	22	DG	H8	H	8.152	0.01	1
362	1	23	DT	H1'	H	5.898	0.01	1
363	1	23	DT	H2'	H	2.241	0.01	1
364	1	23	DT	H2''	H	2.452	0.01	1
365	1	23	DT	H6	H	7.270	0.01	1
366	1	23	DT	H71	H	1.668	0.01	3
367	1	23	DT	H72	H	1.668	0.01	3
368	1	23	DT	H73	H	1.668	0.01	3
369	1	24	DG	H1'	H	5.610	0.01	1
370	1	24	DG	H2'	H	2.282	0.01	1
371	1	24	DG	H2''	H	2.538	0.01	1
372	1	24	DG	H3'	H	4.881	0.01	1
373	1	24	DG	H4'	H	4.236	0.01	1
374	1	24	DG	H8	H	7.562	0.01	1
375	1	25	DG	H1'	H	5.839	0.01	1
376	1	25	DG	H2'	H	2.539	0.01	1
377	1	25	DG	H2''	H	2.682	0.01	1
378	1	25	DG	H3'	H	4.922	0.01	1
379	1	25	DG	H4'	H	4.296	0.01	1
380	1	25	DG	H8	H	7.736	0.01	1
381	1	25	DG	P	P	-4.162	0.05	1
382	1	26	DC	H1'	H	5.930	0.01	1
383	1	26	DC	H2'	H	2.005	0.01	1
384	1	26	DC	H2''	H	2.424	0.01	1
385	1	26	DC	H3'	H	4.793	0.01	1
386	1	26	DC	H4'	H	4.149	0.01	1
387	1	26	DC	H5	H	5.258	0.01	1
388	1	26	DC	H6	H	7.298	0.01	1
389	1	26	DC	P	P	-4.160	0.05	1
390	1	27	DC	H1'	H	5.639	0.01	1
391	1	27	DC	H2'	H	1.994	0.01	1
392	1	27	DC	H2''	H	2.345	0.01	1
393	1	27	DC	H3'	H	4.836	0.01	1
394	1	27	DC	H4'	H	4.117	0.01	1
395	1	27	DC	H5	H	5.636	0.01	1
396	1	27	DC	H6	H	7.453	0.01	1
397	1	27	DC	P	P	-4.043	0.05	1
398	1	28	DG	H1'	H	6.205	0.01	1
399	1	28	DG	H2'	H	2.657	0.01	1
400	1	28	DG	H2''	H	2.399	0.01	1
401	1	28	DG	H3'	H	4.712	0.01	1
402	1	28	DG	H4'	H	4.216	0.01	1
403	1	28	DG	H5''	H	4.107	0.01	2
404	1	28	DG	H8	H	7.975	0.01	1
405	1	28	DG	P	P	-3.666	0.05	1

Chemical Shifts 3

¹H: 138, ³¹P: 13 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
406	1	1	DC	H1'	H	5.764	0.01	1
407	1	1	DC	H2'	H	1.880	0.01	1
408	1	1	DC	H2''	H	2.383	0.01	1
409	1	1	DC	H3'	H	4.711	0.01	1
410	1	1	DC	H4'	H	4.077	0.01	1
411	1	1	DC	H5	H	5.906	0.01	1
412	1	1	DC	H6	H	7.607	0.01	1
413	1	2	DG	H1'	H	5.557	0.01	1
414	1	2	DG	H2'	H	2.751	0.01	1
415	1	2	DG	H2''	H	2.800	0.01	1
416	1	2	DG	H3'	H	5.034	0.01	1
417	1	2	DG	H4'	H	4.346	0.01	1
418	1	2	DG	H5''	H	3.997	0.01	2
419	1	2	DG	H8	H	7.953	0.01	1
420	1	2	DG	P	P	-3.886	0.05	1
421	1	3	DG	H1'	H	6.029	0.01	1
422	1	3	DG	H2'	H	2.680	0.01	1
423	1	3	DG	H2''	H	2.780	0.01	1
424	1	3	DG	H3'	H	5.132	0.01	1
425	1	3	DG	H4'	H	4.512	0.01	1
426	1	3	DG	H8	H	7.891	0.01	1
427	1	3	DG	P	P	-3.761	0.05	1
428	1	4	DC	H1'	H	5.951	0.01	1
429	1	4	DC	H2'	H	1.404	0.01	1
430	1	4	DC	H2''	H	2.339	0.01	1
431	1	4	DC	H3'	H	4.914	0.01	1
432	1	4	DC	H4'	H	4.239	0.01	1
433	1	4	DC	H5	H	5.417	0.01	1
434	1	4	DC	H6	H	7.038	0.01	1
435	1	4	DC	P	P	-3.878	0.05	1
436	1	5	DC	H1'	H	5.390	0.01	1
437	1	5	DC	H2'	H	1.610	0.01	1
438	1	5	DC	H2''	H	0.632	0.01	1
439	1	5	DC	H3'	H	4.751	0.01	1
440	1	5	DC	H4'	H	3.843	0.01	1
441	1	5	DC	H5	H	5.019	0.01	1
442	1	5	DC	H6	H	7.100	0.01	1
443	1	5	DC	P	P	-4.232	0.05	1
444	1	6	DG	P	P	-5.058	0.05	1
445	1	8	DC	H1'	H	6.519	0.01	1
446	1	8	DC	H2'	H	2.665	0.01	1
447	1	8	DC	H2''	H	2.768	0.01	1
448	1	8	DC	H3'	H	5.425	0.01	1
449	1	8	DC	H5	H	6.382	0.01	1
450	1	8	DC	H6	H	8.330	0.01	1
451	1	9	DG	H1'	H	5.604	0.01	1
452	1	9	DG	H2'	H	2.962	0.01	1
453	1	9	DG	H2''	H	2.769	0.01	1
454	1	9	DG	H3'	H	5.069	0.01	1
455	1	9	DG	H4'	H	4.694	0.01	1
456	1	9	DG	H5''	H	4.356	0.01	2
457	1	9	DG	H8	H	8.515	0.01	1
458	1	9	DG	P	P	-4.487	0.05	1
459	1	10	DA	H1'	H	6.140	0.01	1
460	1	10	DA	H2'	H	2.388	0.01	1
461	1	10	DA	H2''	H	2.431	0.01	1
462	1	10	DA	H3'	H	4.678	0.01	1
463	1	10	DA	H4'	H	2.207	0.01	1
464	1	10	DA	H5'	H	3.477	0.01	2
465	1	10	DA	H5''	H	3.240	0.01	2
466	1	10	DA	H8	H	8.314	0.01	1
467	1	11	DA	H1'	H	6.307	0.01	1
468	1	11	DA	H2'	H	3.045	0.01	1
469	1	11	DA	H2''	H	2.934	0.01	1
470	1	11	DA	H3'	H	4.928	0.01	1
471	1	11	DA	H8	H	8.089	0.01	1
472	1	11	DA	P	P	-4.428	0.05	1
473	1	12	DG	H1'	H	5.135	0.01	1
474	1	12	DG	H2'	H	2.782	0.01	1
475	1	12	DG	H2''	H	2.681	0.01	1
476	1	12	DG	H3'	H	4.972	0.01	1
477	1	12	DG	H4'	H	4.400	0.01	1
478	1	12	DG	H5'	H	4.313	0.01	2
479	1	12	DG	H5''	H	4.168	0.01	2
480	1	12	DG	H8	H	8.226	0.01	1
481	1	12	DG	P	P	-4.867	0.05	1
482	1	13	DA	H1'	H	6.034	0.01	1
483	1	13	DA	H2'	H	2.538	0.01	1
484	1	13	DA	H2''	H	2.720	0.01	1
485	1	13	DA	H3'	H	4.915	0.01	1
486	1	13	DA	H4'	H	4.355	0.01	1
487	1	13	DA	H5''	H	4.071	0.01	2
488	1	13	DA	H8	H	8.267	0.01	1
489	1	13	DA	P	P	-3.185	0.05	1
490	1	14	DC	H5	H	5.089	0.01	1
491	1	14	DC	H6	H	6.733	0.01	1
492	1	16	DC	H1'	H	5.915	0.01	1
493	1	16	DC	H5	H	6.190	0.01	1
494	1	16	DC	H6	H	7.820	0.01	1
495	1	19	DG	H1'	H	6.725	0.01	1
496	1	19	DG	H3'	H	5.346	0.01	1
497	1	20	DA	H1'	H	6.559	0.01	1
498	1	20	DA	H3'	H	4.872	0.01	1
499	1	20	DA	H5'	H	3.736	0.01	2
500	1	20	DA	H5''	H	3.549	0.01	2
501	1	20	DA	H8	H	8.570	0.01	1
502	1	21	DA	H1'	H	6.714	0.01	1
503	1	21	DA	H2'	H	3.065	0.01	1
504	1	21	DA	H2''	H	3.304	0.01	1
505	1	21	DA	H3'	H	5.091	0.01	1
506	1	21	DA	H8	H	8.584	0.01	1
507	1	22	DG	H1'	H	6.058	0.01	1
508	1	22	DG	H2'	H	2.775	0.01	1
509	1	22	DG	H2''	H	3.062	0.01	1
510	1	22	DG	H3'	H	5.106	0.01	1
511	1	22	DG	H4'	H	4.638	0.01	1
512	1	22	DG	H5'	H	4.559	0.01	2
513	1	22	DG	H5''	H	4.363	0.01	2
514	1	22	DG	H8	H	8.410	0.01	1
515	1	22	DG	P	P	-4.665	0.05	1
516	1	23	DT	H1'	H	6.104	0.01	1
517	1	23	DT	H2'	H	2.399	0.01	1
518	1	23	DT	H2''	H	2.651	0.01	1
519	1	23	DT	H3'	H	4.849	0.01	1
520	1	23	DT	H4'	H	4.471	0.01	1
521	1	23	DT	H5''	H	4.204	0.01	2
522	1	23	DT	H6	H	7.462	0.01	1
523	1	23	DT	H71	H	1.921	0.01	3
524	1	23	DT	H72	H	1.921	0.01	3
525	1	23	DT	H73	H	1.921	0.01	3
526	1	23	DT	P	P	-4.341	0.05	1
527	1	24	DG	H1'	H	5.601	0.01	1
528	1	24	DG	H2'	H	2.290	0.01	1
529	1	24	DG	H2''	H	2.502	0.01	1
530	1	24	DG	H3'	H	4.859	0.01	1
531	1	24	DG	H8	H	7.657	0.01	1
532	1	25	DG	H1'	H	5.676	0.01	1
533	1	25	DG	H2'	H	2.444	0.01	1
534	1	25	DG	H2''	H	2.577	0.01	1
535	1	25	DG	H3'	H	4.817	0.01	1
536	1	25	DG	H4'	H	4.114	0.01	1
537	1	25	DG	H8	H	7.668	0.01	1
538	1	25	DG	P	P	-4.266	0.05	1
539	1	26	DC	H1'	H	5.821	0.01	1
540	1	26	DC	H2'	H	1.930	0.01	1
541	1	26	DC	H2''	H	2.339	0.01	1
542	1	26	DC	H3'	H	4.697	0.01	1
543	1	26	DC	H5	H	5.192	0.01	1
544	1	26	DC	H6	H	7.220	0.01	1
545	1	27	DC	H1'	H	5.597	0.01	1
546	1	27	DC	H2'	H	1.940	0.01	1
547	1	27	DC	H2''	H	2.308	0.01	1
548	1	27	DC	H3'	H	4.782	0.01	1
549	1	27	DC	H4'	H	4.048	0.01	1
550	1	27	DC	H5	H	5.594	0.01	1
551	1	27	DC	H6	H	7.404	0.01	1
552	1	27	DC	P	P	-4.130	0.05	1
553	1	28	DG	H1'	H	6.201	0.01	1
554	1	28	DG	H2'	H	2.645	0.01	1
555	1	28	DG	H2''	H	2.391	0.01	1
556	1	28	DG	H8	H	7.953	0.01	1

Chemical Shifts 4

¹H: 143, ³¹P: 18 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
557	1	1	DC	H1'	H	5.755	0.01	1
558	1	1	DC	H2'	H	1.858	0.01	1
559	1	1	DC	H2''	H	2.361	0.01	1
560	1	1	DC	H3'	H	4.685	0.01	1
561	1	1	DC	H5	H	5.918	0.01	1
562	1	1	DC	H6	H	7.601	0.01	1
563	1	2	DG	H1'	H	5.513	0.01	1
564	1	2	DG	H2'	H	2.685	0.01	1
565	1	2	DG	H2''	H	2.732	0.01	1
566	1	2	DG	H3'	H	4.969	0.01	1
567	1	2	DG	H4'	H	4.304	0.01	1
568	1	2	DG	H8	H	7.915	0.01	1
569	1	2	DG	P	P	-3.917	0.05	1
570	1	3	DG	H1'	H	5.957	0.01	1
571	1	3	DG	H2'	H	2.598	0.01	1
572	1	3	DG	H2''	H	2.653	0.01	1
573	1	3	DG	H3'	H	5.043	0.01	1
574	1	3	DG	H4'	H	4.455	0.01	1
575	1	3	DG	H8	H	7.803	0.01	1
576	1	3	DG	P	P	-3.814	0.05	1
577	1	4	DC	H1'	H	5.994	0.01	1
578	1	4	DC	H2'	H	1.372	0.01	1
579	1	4	DC	H2''	H	2.269	0.01	1
580	1	4	DC	H3'	H	4.817	0.01	1
581	1	4	DC	H5	H	5.240	0.01	1
582	1	4	DC	H6	H	6.987	0.01	1
583	1	4	DC	P	P	-4.019	0.05	1
584	1	5	DC	H1'	H	6.027	0.01	1
585	1	5	DC	H2'	H	1.778	0.01	1
586	1	5	DC	H2''	H	1.292	0.01	1
587	1	5	DC	H3'	H	4.606	0.01	1
588	1	5	DC	H5	H	4.774	0.01	1
589	1	5	DC	H6	H	7.143	0.01	1
590	1	6	DG	H8	H	7.354	0.01	1
591	1	6	DG	P	P	-4.833	0.05	1
592	1	7	DT	H6	H	6.462	0.01	1
593	1	7	DT	H71	H	0.844	0.01	3
594	1	7	DT	H72	H	0.844	0.01	3
595	1	7	DT	H73	H	0.844	0.01	3
596	1	8	DC	H1'	H	6.180	0.01	1
597	1	8	DC	H2'	H	1.865	0.01	1
598	1	8	DC	H2''	H	2.329	0.01	1
599	1	8	DC	H3'	H	4.926	0.01	1
600	1	8	DC	H5	H	5.173	0.01	1
601	1	8	DC	H6	H	7.155	0.01	1
602	1	9	DG	H1'	H	5.380	0.01	1
603	1	9	DG	H2'	H	2.748	0.01	1
604	1	9	DG	H2''	H	2.593	0.01	1
605	1	9	DG	H4'	H	4.617	0.01	1
606	1	9	DG	H5''	H	4.305	0.01	2
607	1	9	DG	H8	H	8.149	0.01	1
608	1	9	DG	P	P	-4.662	0.05	1
609	1	10	DA	H1'	H	5.992	0.01	1
610	1	10	DA	H3'	H	4.614	0.01	1
611	1	10	DA	H4'	H	2.129	0.01	1
612	1	10	DA	H5'	H	3.431	0.01	2
613	1	10	DA	H5''	H	3.174	0.01	2
614	1	10	DA	H8	H	8.166	0.01	1
615	1	11	DA	H1'	H	6.306	0.01	1
616	1	11	DA	H2	H	8.100	0.01	1
617	1	11	DA	H2'	H	2.943	0.01	1
618	1	11	DA	H2''	H	2.891	0.01	1
619	1	11	DA	H3'	H	4.877	0.01	1
620	1	11	DA	H8	H	8.023	0.01	1
621	1	11	DA	P	P	-4.497	0.05	1
622	1	12	DG	H1'	H	5.231	0.01	1
623	1	12	DG	H2'	H	2.795	0.01	1
624	1	12	DG	H2''	H	2.745	0.01	1
625	1	12	DG	H3'	H	5.037	0.01	1
626	1	12	DG	H4'	H	4.496	0.01	1
627	1	12	DG	H5'	H	4.346	0.01	2
628	1	12	DG	H5''	H	4.214	0.01	2
629	1	12	DG	H8	H	8.145	0.01	1
630	1	12	DG	P	P	-4.885	0.05	1
631	1	13	DA	H1'	H	6.846	0.01	1
632	1	13	DA	H2	H	8.975	0.01	1
633	1	13	DA	H2'	H	2.972	0.01	1
634	1	13	DA	H2''	H	3.391	0.01	1
635	1	13	DA	H3'	H	5.299	0.01	1
636	1	13	DA	H4'	H	4.757	0.01	1
637	1	13	DA	H5'	H	4.389	0.01	2
638	1	13	DA	H5''	H	4.310	0.01	2
639	1	13	DA	H8	H	8.531	0.01	1
640	1	13	DA	P	P	-3.041	0.05	1
641	1	14	DC	H1'	H	7.103	0.01	1
642	1	14	DC	H2'	H	2.396	0.01	1
643	1	14	DC	H2''	H	3.242	0.01	1
644	1	14	DC	H3'	H	5.238	0.01	1
645	1	14	DC	H4'	H	4.836	0.01	1
646	1	14	DC	H5	H	5.482	0.01	1
647	1	14	DC	H6	H	7.627	0.01	1
648	1	14	DC	P	P	-4.082	0.05	1
649	1	15	DC	P	P	-3.061	0.05	1
650	1	20	DA	H1'	H	5.652	0.01	1
651	1	20	DA	H2'	H	2.106	0.01	1
652	1	20	DA	H2''	H	2.107	0.01	1
653	1	20	DA	H3'	H	4.462	0.01	1
654	1	20	DA	H4'	H	2.065	0.01	1
655	1	20	DA	H5'	H	3.288	0.01	2
656	1	20	DA	H5''	H	2.922	0.01	2
657	1	20	DA	H8	H	7.769	0.01	1
658	1	21	DA	H1'	H	6.298	0.01	1
659	1	21	DA	H2''	H	2.917	0.01	1
660	1	21	DA	H3'	H	4.794	0.01	1
661	1	21	DA	H8	H	7.917	0.01	1
662	1	21	DA	P	P	-4.562	0.05	1
663	1	22	DG	H1'	H	5.815	0.01	1
664	1	22	DG	H2'	H	2.505	0.01	1
665	1	22	DG	H2''	H	2.833	0.01	1
666	1	22	DG	H3'	H	4.915	0.01	1
667	1	22	DG	H4'	H	4.453	0.01	1
668	1	22	DG	H5'	H	4.319	0.01	2
669	1	22	DG	H5''	H	4.161	0.01	2
670	1	22	DG	H8	H	7.994	0.01	1
671	1	22	DG	P	P	-4.946	0.05	1
672	1	23	DT	H1'	H	5.999	0.01	1
673	1	23	DT	H2'	H	2.305	0.01	1
674	1	23	DT	H2''	H	2.542	0.01	1
675	1	23	DT	H3'	H	4.834	0.01	1
676	1	23	DT	H4'	H	4.364	0.01	1
677	1	23	DT	H6	H	7.261	0.01	1
678	1	23	DT	H71	H	1.605	0.01	3
679	1	23	DT	H72	H	1.605	0.01	3
680	1	23	DT	H73	H	1.605	0.01	3
681	1	23	DT	P	P	-4.466	0.05	1
682	1	24	DG	H1'	H	5.941	0.01	1
683	1	24	DG	H2'	H	2.494	0.01	1
684	1	24	DG	H2''	H	2.769	0.01	1
685	1	24	DG	H3'	H	5.057	0.01	1
686	1	24	DG	H4'	H	4.481	0.01	1
687	1	24	DG	H8	H	7.765	0.01	1
688	1	24	DG	P	P	-3.569	0.05	1
689	1	25	DG	H1'	H	6.024	0.01	1
690	1	25	DG	H2'	H	2.686	0.01	1
691	1	25	DG	H2''	H	2.816	0.01	1
692	1	25	DG	H3'	H	5.069	0.01	1
693	1	25	DG	H4'	H	4.524	0.01	1
694	1	25	DG	H8	H	7.910	0.01	1
695	1	25	DG	P	P	-3.939	0.05	1
696	1	26	DC	H1'	H	5.987	0.01	1
697	1	26	DC	H2'	H	2.059	0.01	1
698	1	26	DC	H2''	H	2.457	0.01	1
699	1	26	DC	H3'	H	4.847	0.01	1
700	1	26	DC	H5	H	5.361	0.01	1
701	1	26	DC	H6	H	7.388	0.01	1
702	1	26	DC	P	P	-4.032	0.05	1
703	1	27	DC	H1'	H	5.651	0.01	1
704	1	27	DC	H2'	H	2.002	0.01	1
705	1	27	DC	H2''	H	2.347	0.01	1
706	1	27	DC	H3'	H	4.835	0.01	1
707	1	27	DC	H4'	H	4.108	0.01	1
708	1	27	DC	H5	H	5.684	0.01	1
709	1	27	DC	H6	H	7.483	0.01	1
710	1	27	DC	P	P	-4.008	0.05	1
711	1	28	DG	H1'	H	6.205	0.01	1
712	1	28	DG	H2'	H	2.652	0.01	1
713	1	28	DG	H2''	H	2.397	0.01	1
714	1	28	DG	H3'	H	4.705	0.01	1
715	1	28	DG	H4'	H	4.203	0.01	1
716	1	28	DG	H8	H	7.981	0.01	1
717	1	28	DG	P	P	-3.671	0.05	1

Chemical Shifts 5

¹H: 103, ³¹P: 12 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
718	1	1	DC	H1'	H	5.680	0.01	1
719	1	1	DC	H2'	H	1.782	0.01	1
720	1	1	DC	H2''	H	2.282	0.01	1
721	1	1	DC	H3'	H	4.633	0.01	1
722	1	1	DC	H5	H	5.829	0.01	1
723	1	1	DC	H6	H	7.529	0.01	1
724	1	2	DG	H1'	H	5.405	0.01	1
725	1	2	DG	H2'	H	2.609	0.01	1
726	1	2	DG	H2''	H	2.632	0.01	1
727	1	2	DG	H3'	H	4.915	0.01	1
728	1	2	DG	H4'	H	4.244	0.01	1
729	1	2	DG	H8	H	7.810	0.01	1
730	1	2	DG	P	P	-3.979	0.05	1
731	1	3	DG	H1'	H	5.771	0.01	1
732	1	3	DG	H2'	H	2.444	0.01	1
733	1	3	DG	H2''	H	2.488	0.01	1
734	1	3	DG	H3'	H	4.965	0.01	1
735	1	3	DG	H4'	H	4.362	0.01	1
736	1	3	DG	H8	H	7.662	0.01	1
737	1	3	DG	P	P	-3.902	0.05	1
738	1	4	DC	H1'	H	5.392	0.01	1
739	1	4	DC	H2'	H	0.766	0.01	1
740	1	4	DC	H2''	H	1.525	0.01	1
741	1	4	DC	H3'	H	4.527	0.01	1
742	1	4	DC	H6	H	6.558	0.01	1
743	1	4	DC	P	P	-4.064	0.05	1
744	1	8	DC	P	P	-4.137	0.05	1
745	1	9	DG	H1'	H	5.719	0.01	1
746	1	9	DG	H2'	H	2.966	0.01	1
747	1	9	DG	H2''	H	2.804	0.01	1
748	1	9	DG	H3'	H	5.132	0.01	1
749	1	9	DG	H8	H	8.445	0.01	1
750	1	10	DA	H1'	H	6.241	0.01	1
751	1	10	DA	H2'	H	2.470	0.01	1
752	1	10	DA	H2''	H	2.508	0.01	1
753	1	10	DA	H3'	H	4.787	0.01	1
754	1	10	DA	H4'	H	2.394	0.01	1
755	1	10	DA	H5'	H	3.639	0.01	2
756	1	10	DA	H5''	H	3.422	0.01	2
757	1	10	DA	H8	H	8.376	0.01	1
758	1	11	DA	H1'	H	6.608	0.01	1
759	1	11	DA	H2	H	8.501	0.01	1
760	1	11	DA	H2'	H	3.256	0.01	1
761	1	11	DA	H2''	H	3.191	0.01	1
762	1	11	DA	H3'	H	5.087	0.01	1
763	1	11	DA	H8	H	8.376	0.01	1
764	1	12	DG	H1'	H	5.782	0.01	1
765	1	12	DG	H2'	H	3.193	0.01	1
766	1	12	DG	H2''	H	3.194	0.01	1
767	1	12	DG	H3'	H	5.314	0.01	1
768	1	12	DG	H4'	H	4.780	0.01	1
769	1	12	DG	H8	H	8.560	0.01	1
770	1	12	DG	P	P	-4.680	0.05	1
771	1	13	DA	H2'	H	3.404	0.01	1
772	1	13	DA	H2''	H	3.784	0.01	1
773	1	13	DA	H3'	H	5.522	0.01	1
774	1	13	DA	H4'	H	4.971	0.01	1
775	1	13	DA	H5''	H	4.587	0.01	2
776	1	13	DA	H8	H	9.098	0.01	1
777	1	13	DA	P	P	-2.755	0.05	1
778	1	21	DA	H1'	H	6.714	0.01	1
779	1	21	DA	H2'	H	2.982	0.01	1
780	1	21	DA	H2''	H	3.252	0.01	1
781	1	21	DA	H3'	H	5.033	0.01	1
782	1	21	DA	H8	H	8.451	0.01	1
783	1	22	DG	H1'	H	6.099	0.01	1
784	1	22	DG	H2'	H	2.734	0.01	1
785	1	22	DG	H2''	H	3.045	0.01	1
786	1	22	DG	H3'	H	5.095	0.01	1
787	1	22	DG	H4'	H	4.677	0.01	1
788	1	22	DG	H8	H	8.323	0.01	1
789	1	22	DG	P	P	-4.710	0.05	1
790	1	23	DT	H1'	H	6.181	0.01	1
791	1	23	DT	H2'	H	2.399	0.01	1
792	1	23	DT	H2''	H	2.683	0.01	1
793	1	23	DT	H3'	H	4.867	0.01	1
794	1	23	DT	H6	H	7.419	0.01	1
795	1	23	DT	H71	H	1.780	0.01	3
796	1	23	DT	H72	H	1.780	0.01	3
797	1	23	DT	H73	H	1.780	0.01	3
798	1	23	DT	P	P	-4.336	0.05	1
799	1	24	DG	H1'	H	5.718	0.01	1
800	1	24	DG	H2'	H	2.291	0.01	1
801	1	24	DG	H2''	H	2.536	0.01	1
802	1	24	DG	H3'	H	4.904	0.01	1
803	1	25	DG	H1'	H	5.554	0.01	1
804	1	25	DG	H2'	H	2.400	0.01	1
805	1	25	DG	H2''	H	2.506	0.01	1
806	1	25	DG	H3'	H	4.814	0.01	1
807	1	25	DG	H4'	H	4.141	0.01	1
808	1	25	DG	H8	H	7.615	0.01	1
809	1	25	DG	P	P	-4.210	0.05	1
810	1	26	DC	H1'	H	5.617	0.01	1
811	1	26	DC	H2'	H	1.815	0.01	1
812	1	26	DC	H2''	H	2.205	0.01	1
813	1	26	DC	H3'	H	4.599	0.01	1
814	1	26	DC	H4'	H	3.840	0.01	1
815	1	26	DC	H5	H	5.102	0.01	1
816	1	26	DC	H6	H	7.111	0.01	1
817	1	26	DC	P	P	-4.313	0.05	1
818	1	27	DC	H1'	H	5.466	0.01	1
819	1	27	DC	H2'	H	1.843	0.01	1
820	1	27	DC	H2''	H	2.204	0.01	1
821	1	27	DC	H3'	H	4.681	0.01	1
822	1	27	DC	H4'	H	3.903	0.01	1
823	1	27	DC	H5	H	5.502	0.01	1
824	1	27	DC	H6	H	7.295	0.01	1
825	1	27	DC	P	P	-4.247	0.05	1
826	1	28	DG	H1'	H	6.105	0.01	1
827	1	28	DG	H2'	H	2.564	0.01	1
828	1	28	DG	H2''	H	2.318	0.01	1
829	1	28	DG	H3'	H	4.621	0.01	1
830	1	28	DG	H4'	H	4.101	0.01	1
831	1	28	DG	H8	H	7.870	0.01	1
832	1	28	DG	P	P	-3.798	0.05	1

Chemical Shifts 6

¹H: 26 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
833	1	2	DG	H1	H	13.243	0.01	1
834	1	3	DG	H1	H	13.030	0.01	1
835	1	4	DC	H41	H	8.154	0.01	1
836	1	4	DC	H42	H	6.514	0.01	1
837	1	5	DC	H41	H	7.904	0.01	1
838	1	5	DC	H42	H	7.114	0.01	1
839	1	6	DG	H1	H	13.357	0.01	1
840	1	6	DG	H21	H	9.302	0.01	1
841	1	6	DG	H22	H	5.725	0.01	1
842	1	7	DT	H3	H	13.672	0.01	1
843	1	8	DC	H41	H	8.614	0.01	1
844	1	8	DC	H42	H	7.156	0.01	1
845	1	12	DG	H1	H	12.962	0.01	1
846	1	14	DC	H41	H	8.201	0.01	1
847	1	14	DC	H42	H	6.737	0.01	1
848	1	17	DG	H1	H	10.719	0.01	1
849	1	18	DC	H41	H	8.329	0.01	1
850	1	18	DC	H42	H	7.377	0.01	1
851	1	22	DG	H1	H	12.972	0.01	1
852	1	23	DT	H3	H	11.991	0.01	1
853	1	24	DG	H1	H	12.301	0.01	1
854	1	25	DG	H1	H	12.993	0.01	1
855	1	26	DC	H41	H	8.165	0.01	1
856	1	26	DC	H42	H	6.352	0.01	1
857	1	27	DC	H41	H	8.699	0.01	1
858	1	27	DC	H42	H	6.992	0.01	1

Release date

2021-11-21

Citation

Solution Structure of a Lanthanide-binding DNA Aptamer Determined Using High Quality pseudocontact shift restraints
Andralojc, W., Wieruszewska, J., Pasternak, K., Gdaniec, Z.
Chemistry (2022), 28, e202202114-e202202114, PubMed 36043489 , DOI 10.1002/chem.202202114 , Abstract

Experiments performed 22 experiments Detail

1 2D NOESY

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.2 (±0.1), Details 700 uM Lanthanide-binding aptamer, 10 mM cacodylate, 150 mM sodium chloride, 700 uM Lutetium chloride, 100% D2O

#	Name	Isotope labeling	Concentration
1	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
2	cacodylate	natural abundance	10 (±0.5) mM
3	sodium chloride	natural abundance	150 (±7.5) mM
4	Lutetium chloride	natural abundance	700 (±35.0) uM

2 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
2	cacodylate	natural abundance	10 (±0.5) mM
3	sodium chloride	natural abundance	150 (±7.5) mM
4	Lutetium chloride	natural abundance	700 (±35.0) uM

3 2D 1H-1H TOCSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
2	cacodylate	natural abundance	10 (±0.5) mM
3	sodium chloride	natural abundance	150 (±7.5) mM
4	Lutetium chloride	natural abundance	700 (±35.0) uM

4 2D 1H-31P COSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
2	cacodylate	natural abundance	10 (±0.5) mM
3	sodium chloride	natural abundance	150 (±7.5) mM
4	Lutetium chloride	natural abundance	700 (±35.0) uM

5 2D 1H-1H NOESY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
6	cacodylate	natural abundance	10 (±0.5) mM
7	sodium chloride	natural abundance	150 (±7.5) mM
8	Europium chloride	natural abundance	700 (±35.0) uM

6 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
6	cacodylate	natural abundance	10 (±0.5) mM
7	sodium chloride	natural abundance	150 (±7.5) mM
8	Europium chloride	natural abundance	700 (±35.0) uM

7 2D 1H-1H TOCSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
6	cacodylate	natural abundance	10 (±0.5) mM
7	sodium chloride	natural abundance	150 (±7.5) mM
8	Europium chloride	natural abundance	700 (±35.0) uM

8 2D 1H-31P COSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
6	cacodylate	natural abundance	10 (±0.5) mM
7	sodium chloride	natural abundance	150 (±7.5) mM
8	Europium chloride	natural abundance	700 (±35.0) uM

9 2D NOESY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
9	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
10	cacodylate	natural abundance	10 (±0.5) mM
11	sodium chloride	natural abundance	150 (±7.5) mM
12	Ytterbium acetate	natural abundance	700 (±35.0) uM

10 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
9	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
10	cacodylate	natural abundance	10 (±0.5) mM
11	sodium chloride	natural abundance	150 (±7.5) mM
12	Ytterbium acetate	natural abundance	700 (±35.0) uM

11 2D 1H-1H TOCSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
9	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
10	cacodylate	natural abundance	10 (±0.5) mM
11	sodium chloride	natural abundance	150 (±7.5) mM
12	Ytterbium acetate	natural abundance	700 (±35.0) uM

12 2D 1H-31P COSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
9	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
10	cacodylate	natural abundance	10 (±0.5) mM
11	sodium chloride	natural abundance	150 (±7.5) mM
12	Ytterbium acetate	natural abundance	700 (±35.0) uM

13 2D NOESY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
13	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
14	cacodylate	natural abundance	10 (±0.5) mM
15	sodium chloride	natural abundance	150 (±7.5) mM
16	cerium chloride	natural abundance	700 (±35.0) uM

14 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
13	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
14	cacodylate	natural abundance	10 (±0.5) mM
15	sodium chloride	natural abundance	150 (±7.5) mM
16	cerium chloride	natural abundance	700 (±35.0) uM

15 2D 1H-1H TOCSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
13	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
14	cacodylate	natural abundance	10 (±0.5) mM
15	sodium chloride	natural abundance	150 (±7.5) mM
16	cerium chloride	natural abundance	700 (±35.0) uM

16 2D 1H-31P COSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
13	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
14	cacodylate	natural abundance	10 (±0.5) mM
15	sodium chloride	natural abundance	150 (±7.5) mM
16	cerium chloride	natural abundance	700 (±35.0) uM

17 2D NOESY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
17	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
18	cacodylate	natural abundance	10 (±0.5) mM
19	sodium chloride	natural abundance	150 (±7.5) mM
20	thulium chloride	natural abundance	700 (±35.0) uM

18 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
17	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
18	cacodylate	natural abundance	10 (±0.5) mM
19	sodium chloride	natural abundance	150 (±7.5) mM
20	thulium chloride	natural abundance	700 (±35.0) uM

19 2D 1H-1H TOCSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
17	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
18	cacodylate	natural abundance	10 (±0.5) mM
19	sodium chloride	natural abundance	150 (±7.5) mM
20	thulium chloride	natural abundance	700 (±35.0) uM

20 2D 1H-31P COSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
17	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
18	cacodylate	natural abundance	10 (±0.5) mM
19	sodium chloride	natural abundance	150 (±7.5) mM
20	thulium chloride	natural abundance	700 (±35.0) uM

21 2D NOESY

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.2 (±0.1), Details 700 uM Lanthanide-binding aptamer, 10 mM cacodylate, 150 mM sodium chloride, 700 uM Lutetium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
21	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
22	cacodylate	natural abundance	10 (±0.5) mM
23	sodium chloride	natural abundance	150 (±7.5) mM
24	Lutetium chloride	natural abundance	700 (±35.0) uM

22 2D 1H-1H TOCSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
21	Lanthanide-binding aptamer	natural abundance	700 (±35.0) uM
22	cacodylate	natural abundance	10 (±0.5) mM
23	sodium chloride	natural abundance	150 (±7.5) mM
24	Lutetium chloride	natural abundance	700 (±35.0) uM

Chemical shift validation 9 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34685_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: bmr34685_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	241	100.0 (chain: 1, length: 28)
2	Assigned chemical shifts	assigned_chemical_shifts_2	Warning	164	89.3 (chain: 1, length: 28)
3	Assigned chemical shifts	assigned_chemical_shifts_3	Warning	151	85.7 (chain: 1, length: 28)
4	Assigned chemical shifts	assigned_chemical_shifts_4	Warning	161	85.7 (chain: 1, length: 28)
5	Assigned chemical shifts	assigned_chemical_shifts_5	Warning	115	64.3 (chain: 1, length: 28)
6	Assigned chemical shifts	assigned_chemical_shifts_6	OK	26	60.7 (chain: 1, length: 28)
1	Chemical shift references	chem_shift_reference_1	OK	2	No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: 1, Chain length: 28, Sequence coverage: 100.0%

--------10--------20--------
CGGCCGTCGAAGACCCGCGAAGTGGCCG
||||||||||||||||||||||||||||
CGGCCGTCGAAGACCCGCGAAGTGGCCG

Total number of assignments
- ¹H chemical shifts: 216
- ³¹P chemical shifts: 25

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
2	DG	P	-3.925
3	DG	P	-3.824
4	DC	P	-3.983
5	DC	P	-4.292
6	DG	P	-4.604
7	DT	P	-4.266
8	DC	P	-4.168
9	DG	P	-4.716
11	DA	P	-4.515
12	DG	P	-4.913
13	DA	P	-3.129
14	DC	P	-4.28
15	DC	P	-3.343
16	DC	P	-3.32
17	DG	P	-6.659
18	DC	P	-9.983
19	DG	P	-4.432
21	DA	P	-4.559
22	DG	P	-4.841
23	DT	P	-4.477
24	DG	P	-3.812
25	DG	P	-4.116
26	DC	P	-4.08
27	DC	P	-4.016
28	DG	P	-3.658

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	274	212	77.4

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	196	170	86.7

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	78	42	53.8

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	2	2	100.0

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	18	85.7

Histogram of normalized assigned chemical shifts

Saveframe: assigned_chemical_shifts_2
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 28, Sequence coverage: 89.3%
- Total number of assignments
  - ¹H chemical shifts: 153
  - ³¹P chemical shifts: 11
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
Saveframe: assigned_chemical_shifts_3
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 28, Sequence coverage: 85.7%
- Total number of assignments
  - ¹H chemical shifts: 138
  - ³¹P chemical shifts: 13
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
2	DG	P	-3.946
3	DG	P	-3.851
4	DC	P	-3.998
6	DG	P	-4.241
12	DG	P	-4.919
13	DA	P	-3.163
14	DC	P	-4.495
25	DG	P	-4.162
26	DC	P	-4.16
27	DC	P	-4.043
28	DG	P	-3.666

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	274	149	54.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	196	111	56.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	78	38	48.7

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
2	DG	P	-3.886
3	DG	P	-3.761
4	DC	P	-3.878
5	DC	P	-4.232
6	DG	P	-5.058
9	DG	P	-4.487
11	DA	P	-4.428
12	DG	P	-4.867
13	DA	P	-3.185
22	DG	P	-4.665
23	DT	P	-4.341
25	DG	P	-4.266
27	DC	P	-4.13

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	274	136	49.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	78	31	39.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	2	1	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	13	61.9

Saveframe: assigned_chemical_shifts_4

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: 1, Chain length: 28, Sequence coverage: 85.7%

--------10--------20--------
CGGCCGTCGAAGACCCGCGAAGTGGCCG
|||||||||||||||    |||||||||
CGGCCGTCGAAGACC....AAGTGGCCG

Total number of assignments
- ¹H chemical shifts: 143
- ³¹P chemical shifts: 18

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
2	DG	P	-3.917
3	DG	P	-3.814
4	DC	P	-4.019
6	DG	P	-4.833
9	DG	P	-4.662
11	DA	P	-4.497
12	DG	P	-4.885
13	DA	P	-3.041
14	DC	P	-4.082
15	DC	P	-3.061
21	DA	P	-4.562
22	DG	P	-4.946
23	DT	P	-4.466
24	DG	P	-3.569
25	DG	P	-3.939
26	DC	P	-4.032
27	DC	P	-4.008
28	DG	P	-3.671

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	274	139	50.7

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	196	105	53.6

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	78	34	43.6

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	2	2	100.0

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	16	76.2

Histogram of normalized assigned chemical shifts

Saveframe: assigned_chemical_shifts_5
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 28, Sequence coverage: 64.3%
- Total number of assignments
  - ¹H chemical shifts: 103
  - ³¹P chemical shifts: 12
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
Saveframe: assigned_chemical_shifts_6
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 28, Sequence coverage: 60.7%
- Total number of assignments
  - ¹H chemical shifts: 26
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts

Keywords DNA, aptamer, lanthanide

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Found 1 Document (0.251 seconds)

BMRB: 34685

Experiments performed 22 experiments Detail

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Chemical shift validation 9 contents Detail