BMRBj - BMREntryMaster

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	DG	H1	H	11.927	0.002	1
2	1	1	DG	H1'	H	6.128	0.003	1
3	1	1	DG	H2'	H	2.904	0.004	1
4	1	1	DG	H2''	H	3.196	0.003	1
5	1	1	DG	H3'	H	4.988	0.004	1
6	1	1	DG	H8	H	7.488	0.002	1
7	1	1	DG	C5	C	119.311	0.017	1
8	1	1	DG	C8	C	141.946		1
9	1	2	DG	H1	H	11.672	0.004	1
10	1	2	DG	H1'	H	5.987	0.003	1
11	1	2	DG	H2'	H	2.575	0.006	1
12	1	2	DG	H2''	H	2.908	0.004	1
13	1	2	DG	H3'	H	5.099	0.004	1
14	1	2	DG	H8	H	8.036	0.001	1
15	1	2	DG	C8	C	138.913		1
16	1	3	DG	H1	H	10.845	0.003	1
17	1	3	DG	H1'	H	5.906	0.003	1
18	1	3	DG	H2'	H	2.514	0.002	1
19	1	3	DG	H2''	H	2.595	0.003	1
20	1	3	DG	H3'	H	4.995	0.002	1
21	1	3	DG	H8	H	7.711	0.002	1
22	1	3	DG	C8	C	138.056		1
23	1	4	DC	H1'	H	5.929	0.006	1
24	1	4	DC	H2'	H	2.035	0.001	1
25	1	4	DC	H2''	H	2.427	0.001	1
26	1	4	DC	H3'	H	4.921	0.002	1
27	1	4	DC	H5	H	5.363	0.002	1
28	1	4	DC	H6	H	7.440	0.002	1
29	1	4	DC	H41	H	8.161	0.001	1
30	1	4	DC	H42	H	6.220	0.002	1
31	1	4	DC	C6	C	142.914		1
32	1	5	DG	H1	H	12.790	0.002	1
33	1	5	DG	H1'	H	5.768	0.002	1
34	1	5	DG	H2'	H	2.580	0.004	1
35	1	5	DG	H2''	H	2.659	0.002	1
36	1	5	DG	H3'	H	4.940	0.004	1
37	1	5	DG	H8	H	7.836	0.003	1
38	1	5	DG	C8	C	138.015		1
39	1	6	DC	H1'	H	5.497	0.002	1
40	1	6	DC	H2'	H	1.775	0.002	1
41	1	6	DC	H2''	H	2.217	0.002	1
42	1	6	DC	H3'	H	4.739	0.001	1
43	1	6	DC	H5	H	5.320	0.004	1
44	1	6	DC	H6	H	7.170	0.002	1
45	1	6	DC	H41	H	8.240	0.001	1
46	1	6	DC	H42	H	6.315	0.003	1
47	1	6	DC	C6	C	142.151		1
48	1	7	DG	H1	H	12.695	0.002	1
49	1	7	DG	H1'	H	5.341	0.003	1
50	1	7	DG	H2'	H	2.575	0.004	1
51	1	7	DG	H2''	H	2.653	0.003	1
52	1	7	DG	H3'	H	4.912	0.001	1
53	1	7	DG	H8	H	7.798	0.002	1
54	1	7	DG	C8	C	138.245		1
55	1	8	DA	H1'	H	5.852	0.003	1
56	1	8	DA	H2	H	7.540	0.002	1
57	1	8	DA	H2'	H	2.262	0.002	1
58	1	8	DA	H2''	H	2.578	0.002	1
59	1	8	DA	H3'	H	4.923	0.002	1
60	1	8	DA	H8	H	7.867	0.001	1
61	1	8	DA	C2	C	154.472		1
62	1	8	DA	C8	C	140.957		1
63	1	9	DA	H1'	H	5.853	0.002	1
64	1	9	DA	H2	H	7.672	0.003	1
65	1	9	DA	H2'	H	2.027	0.003	1
66	1	9	DA	H2''	H	2.391	0.001	1
67	1	9	DA	H3'	H	4.852	0.001	1
68	1	9	DA	H8	H	7.420	0.001	1
69	1	9	DA	C2	C	155.016		1
70	1	9	DA	C8	C	139.858		1
71	1	10	DG	H1'	H	5.355	0.003	1
72	1	10	DG	H2'	H	2.603	0.003	1
73	1	10	DG	H2''	H	2.320	0.002	1
74	1	10	DG	H3'	H	4.788	0.0	1
75	1	10	DG	H8	H	8.020	0.002	1
76	1	10	DG	C8	C	138.968		1
77	1	11	DC	H1'	H	5.670	0.003	1
78	1	11	DC	H2'	H	1.569	0.004	1
79	1	11	DC	H2''	H	2.018	0.002	1
80	1	11	DC	H3'	H	4.387	0.001	1
81	1	11	DC	H5	H	5.179	0.002	1
82	1	11	DC	H6	H	7.161	0.003	1
83	1	11	DC	C6	C	143.455		1
84	1	12	DA	H1'	H	6.290	0.002	1
85	1	12	DA	H2	H	8.015	0.002	1
86	1	12	DA	H2'	H	2.979	0.002	1
87	1	12	DA	H2''	H	2.920	0.003	1
88	1	12	DA	H3'	H	4.793	0.002	1
89	1	12	DA	H8	H	8.057	0.002	1
90	1	12	DA	C2	C	155.474		1
91	1	12	DA	C8	C	143.128		1
92	1	13	DT	H1'	H	5.650	0.004	1
93	1	13	DT	H2'	H	2.081	0.002	1
94	1	13	DT	H2''	H	2.476	0.002	1
95	1	13	DT	H3	H	13.282	0.0	1
96	1	13	DT	H3'	H	4.736	0.001	1
97	1	13	DT	H6	H	7.377	0.001	1
98	1	13	DT	H71	H	1.808	0.002	1
99	1	13	DT	H72	H	1.808	0.002	1
100	1	13	DT	H73	H	1.808	0.002	1
101	1	13	DT	C6	C	139.349		1
102	1	14	DT	H1'	H	6.018	0.003	1
103	1	14	DT	H2'	H	2.151	0.004	1
104	1	14	DT	H2''	H	2.437	0.0	1
105	1	14	DT	H3	H	13.863	0.003	1
106	1	14	DT	H3'	H	4.838	0.002	1
107	1	14	DT	H6	H	7.386	0.001	1
108	1	14	DT	H71	H	1.590	0.002	1
109	1	14	DT	H72	H	1.590	0.002	1
110	1	14	DT	H73	H	1.590	0.002	1
111	1	14	DT	C6	C	139.854		1
112	1	15	DC	H1'	H	5.525	0.002	1
113	1	15	DC	H2'	H	1.970	0.003	1
114	1	15	DC	H2''	H	2.265	0.003	1
115	1	15	DC	H3'	H	4.775	0.0	1
116	1	15	DC	H5	H	5.616	0.003	1
117	1	15	DC	H6	H	7.420	0.002	1
118	1	15	DC	H41	H	8.479	0.002	1
119	1	15	DC	H42	H	6.854	0.002	1
120	1	15	DC	C6	C	143.559		1
121	1	16	DG	H1	H	12.745	0.003	1
122	1	16	DG	H1'	H	5.611	0.003	1
123	1	16	DG	H2'	H	2.397	0.002	1
124	1	16	DG	H2''	H	2.398	0.001	1
125	1	16	DG	H3'	H	4.784	0.002	1
126	1	16	DG	H8	H	7.708	0.001	1
127	1	16	DG	C8	C	138.047		1
128	1	17	DC	H1'	H	5.498	0.002	1
129	1	17	DC	H2'	H	1.591	0.003	1
130	1	17	DC	H2''	H	2.041	0.003	1
131	1	17	DC	H3'	H	4.545		1
132	1	17	DC	H5	H	5.120	0.002	1
133	1	17	DC	H6	H	7.011	0.002	1
134	1	17	DC	H41	H	7.991	0.001	1
135	1	17	DC	H42	H	5.995	0.003	1
136	1	17	DC	C6	C	142.825		1
137	1	18	DG	H1	H	13.102	0.002	1
138	1	18	DG	H1'	H	5.668	0.001	1
139	1	18	DG	H2'	H	2.371	0.002	1
140	1	18	DG	H2''	H	2.797	0.0	1
141	1	18	DG	H3'	H	4.838		1
142	1	18	DG	H8	H	7.490	0.002	1
143	1	18	DG	C5	C	117.214		1
144	1	18	DG	C8	C	137.640		1
145	1	19	DG	H1	H	11.003	0.003	1
146	1	19	DG	H1'	H	5.909	0.003	1
147	1	19	DG	H2'	H	3.041	0.002	1
148	1	19	DG	H2''	H	2.769	0.003	1
149	1	19	DG	H3'	H	4.843	0.002	1
150	1	19	DG	H8	H	7.247	0.003	1
151	1	19	DG	C5	C	118.105	0.006	1
152	1	19	DG	C8	C	141.946		1
153	1	20	DG	H1	H	11.098	0.002	1
154	1	20	DG	H1'	H	5.682	0.003	1
155	1	20	DG	H2'	H	2.648	0.001	1
156	1	20	DG	H2''	H	2.492	0.003	1
157	1	20	DG	H3'	H	4.938	0.002	1
158	1	20	DG	H8	H	7.195	0.004	1
159	1	20	DG	C5	C	118.383	0.022	1
160	1	20	DG	C8	C	141.076		1
161	1	21	DG	H1	H	11.174	0.004	1
162	1	21	DG	H1'	H	5.908	0.004	1
163	1	21	DG	H2'	H	2.587	0.005	1
164	1	21	DG	H2''	H	2.506	0.003	1
165	1	21	DG	H3'	H	5.090	0.002	1
166	1	21	DG	H8	H	7.762	0.002	1
167	1	21	DG	C5	C	116.619	0.009	1
168	1	21	DG	C8	C	138.035		1
169	1	22	DT	H1'	H	6.280	0.003	1
170	1	22	DT	H2'	H	2.299	0.005	1
171	1	22	DT	H2''	H	2.502	0.004	1
172	1	22	DT	H3'	H	4.844	0.002	1
173	1	22	DT	H6	H	7.833	0.002	1
174	1	22	DT	H71	H	1.959		1
175	1	22	DT	H72	H	1.959		1
176	1	22	DT	H73	H	1.959		1
177	1	22	DT	C6	C	140.055		1
178	1	23	DT	H1'	H	5.778	0.003	1
179	1	23	DT	H2'	H	1.204	0.002	1
180	1	23	DT	H2''	H	1.766	0.002	1
181	1	23	DT	H3'	H	4.611	0.001	1
182	1	23	DT	H6	H	7.225	0.002	1
183	1	23	DT	H71	H	1.599	0.004	1
184	1	23	DT	H72	H	1.599	0.004	1
185	1	23	DT	H73	H	1.599	0.004	1
186	1	23	DT	C6	C	138.633		1
187	1	24	DA	H1'	H	5.854	0.003	1
188	1	24	DA	H2	H	7.689	0.002	1
189	1	24	DA	H2'	H	2.689	0.004	1
190	1	24	DA	H2''	H	2.694	0.004	1
191	1	24	DA	H3'	H	4.926		1
192	1	24	DA	H8	H	7.887	0.001	1
193	1	24	DA	C2	C	155.410		1
194	1	24	DA	C8	C	141.182		1
195	1	25	DG	H1	H	11.017	0.003	1
196	1	25	DG	H1'	H	6.078	0.002	1
197	1	25	DG	H2'	H	3.429	0.002	1
198	1	25	DG	H2''	H	3.001	0.002	1
199	1	25	DG	H3'	H	4.912	0.001	1
200	1	25	DG	H8	H	7.492	0.002	1
201	1	25	DG	C5	C	118.662		1
202	1	25	DG	C8	C	142.482		1
203	1	26	DG	H1	H	11.395	0.004	1
204	1	26	DG	H1'	H	6.035	0.004	1
205	1	26	DG	H2'	H	2.507	0.005	1
206	1	26	DG	H2''	H	2.919	0.003	1
207	1	26	DG	H3'	H	5.002	0.003	1
208	1	26	DG	H8	H	7.822	0.002	1
209	1	26	DG	C5	C	116.620	0.001	1
210	1	26	DG	C8	C	138.247		1
211	1	27	DG	H1	H	11.017	0.003	1
212	1	27	DG	H1'	H	6.487	0.002	1
213	1	27	DG	H2'	H	2.669	0.002	1
214	1	27	DG	H2''	H	2.671	0.001	1
215	1	27	DG	H3'	H	5.130	0.002	1
216	1	27	DG	H4'	H	4.707	0.001	1
217	1	27	DG	H8	H	7.700	0.002	1
218	1	27	DG	C8	C	138.849		1
219	1	28	DT	H1'	H	6.521	0.002	1
220	1	28	DT	H2'	H	2.428	0.002	1
221	1	28	DT	H2''	H	2.756	0.001	1
222	1	28	DT	H3'	H	5.132	0.002	1
223	1	28	DT	H4'	H	4.787	0.001	1
224	1	28	DT	H6	H	7.887	0.002	1
225	1	28	DT	H71	H	1.994	0.001	1
226	1	28	DT	H72	H	1.994	0.001	1
227	1	28	DT	H73	H	1.994	0.001	1
228	1	28	DT	C6	C	139.920		1
229	1	29	DG	H1	H	11.730	0.002	1
230	1	29	DG	H1'	H	6.052	0.001	1
231	1	29	DG	H2'	H	2.963	0.004	1
232	1	29	DG	H2''	H	3.077	0.002	1
233	1	29	DG	H3'	H	5.119	0.001	1
234	1	29	DG	H8	H	7.430	0.002	1
235	1	29	DG	C5	C	119.107	0.024	1
236	1	29	DG	C8	C	141.818		1
237	1	30	DG	H1	H	11.685	0.003	1
238	1	30	DG	H1'	H	5.946	0.003	1
239	1	30	DG	H2'	H	2.669	0.002	1
240	1	30	DG	H2''	H	2.754	0.002	1
241	1	30	DG	H3'	H	5.117	0.002	1
242	1	30	DG	H8	H	8.167	0.002	1
243	1	30	DG	C5	C	116.728	0.001	1
244	1	30	DG	C8	C	139.492		1
245	1	31	DG	H1	H	11.421	0.003	1
246	1	31	DG	H1'	H	6.418	0.002	1
247	1	31	DG	H2'	H	2.559	0.004	1
248	1	31	DG	H2''	H	2.483	0.001	1
249	1	31	DG	H3'	H	4.698	0.001	1
250	1	31	DG	H8	H	7.820	0.001	1
251	1	31	DG	C5	C	117.213	0.0	1
252	1	31	DG	C8	C	138.252		1

Release date

2024-01-10

Citation

Structural Differences at Quadruplex-Duplex Interfaces Enable Ligand-Induced Topological Transitions
Vianney, Y.M., Dierks, D., Weisz, K.
Adv. Sci (Weinh). (2024), e2309891-e2309891, PubMed 38477454 , DOI 10.1002/advs.202309891 , Abstract

Experiments performed 3 experiments Detail

#	Name	Isotope labeling	Type	Concentration
1	DNA (31-MER)	natural abundance		1 mM

#	Name	Isotope labeling	Type	Concentration
1	DNA (31-MER)	natural abundance		1 mM

#	Name	Isotope labeling	Type	Concentration
1	DNA (31-MER)	natural abundance		1 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34880_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: bmr34880_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	252		100.0 (chain: 1, length: 31)
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: 31, Sequence coverage: 100.0%

--------10--------20--------30-
GGGCGCGAAGCATTCGCGGGGTTAGGGTGGG
|||||||||||||||||||||||||||||||
GGGCGCGAAGCATTCGCGGGGTTAGGGTGGG

Total number of assignments
- ¹H chemical shifts: 207
- ¹³C chemical shifts: 45

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
1	DG	C5	119.311
1	DG	C8	141.946
2	DG	C8	138.913
3	DG	C8	138.056
4	DC	C6	142.914
5	DG	C8	138.015
6	DC	C6	142.151
7	DG	C8	138.245
8	DA	C2	154.472
8	DA	C8	140.957
9	DA	C2	155.016
9	DA	C8	139.858
10	DG	C8	138.968
11	DC	C6	143.455
12	DA	C2	155.474
12	DA	C8	143.128
13	DT	C6	139.349
14	DT	C6	139.854
15	DC	C6	143.559
16	DG	C8	138.047
17	DC	C6	142.825
18	DG	C5	117.214
18	DG	C8	137.64
19	DG	C5	118.105
19	DG	C8	141.946
20	DG	C5	118.383
20	DG	C8	141.076
21	DG	C5	116.619
21	DG	C8	138.035
22	DT	C6	140.055
23	DT	C6	138.633
24	DA	C2	155.41
24	DA	C8	141.182
25	DG	C5	118.662
25	DG	C8	142.482
26	DG	C5	116.62
26	DG	C8	138.247
27	DG	C8	138.849
28	DT	C6	139.92
29	DG	C5	119.107
29	DG	C8	141.818
30	DG	C5	116.728
30	DG	C8	139.492
31	DG	C5	117.213
31	DG	C8	138.252

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	294	197	67.0

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	217	126	58.1

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	77	71	92.2

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	5	5	100.0
¹³C chemical shifts	5	0	0.0

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	25	25	100.0

Histogram of normalized assigned chemical shifts

Keywords (3+1) hybrid, DNA, G-quadruplex, Quadruplex-duplex hybrid, hybrid-2

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Sequence chart about top aligned regions

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Found 1 Document (0.263 seconds)

BMRB: 34880

Experiments performed 3 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail