BMRBj - BMREntryMaster

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	DG	H1	H	11.707	0.005	1
2	1	1	DG	H1'	H	5.743	0.002	1
3	1	1	DG	H2'	H	2.666	0.012	1
4	1	1	DG	H2''	H	2.861	0.014	1
5	1	1	DG	H3'	H	4.800	0.005	1
6	1	1	DG	H4'	H	4.234	0.006	1
7	1	1	DG	H5'	H	4.102	0.002	1
8	1	1	DG	H8	H	7.240	0.004	1
9	1	1	DG	H21	H	10.390	0.004	1
10	1	1	DG	H22	H	6.181	0.002	1
11	1	1	DG	C1'	C	87.172	0.000	1
12	1	1	DG	C2'	C	35.072	0.010	1
13	1	1	DG	C8	C	138.658	0.000	1
14	1	2	DG	H1	H	11.941	0.002	1
15	1	2	DG	H1'	H	5.925	0.004	1
16	1	2	DG	H2'	H	2.318	0.006	1
17	1	2	DG	H2''	H	2.453	0.014	1
18	1	2	DG	H3'	H	4.934	0.003	1
19	1	2	DG	H4'	H	4.236	0.004	1
20	1	2	DG	H5'	H	4.089	0.005	1
21	1	2	DG	H5''	H	3.993	0.004	1
22	1	2	DG	H8	H	7.652	0.001	1
23	1	2	DG	C1'	C	80.704	0.000	1
24	1	2	DG	C2'	C	37.148	0.024	1
25	1	2	DG	C8	C	134.964	0.000	1
26	1	3	DC	H1'	H	6.179	0.003	1
27	1	3	DC	H2'	H	2.206	0.015	1
28	1	3	DC	H2''	H	2.458	0.011	1
29	1	3	DC	H3'	H	4.758	0.000	1
30	1	3	DC	H4'	H	4.227	0.002	1
31	1	3	DC	H5	H	5.924	0.000	1
32	1	3	DC	H5'	H	4.023	0.000	1
33	1	3	DC	H6	H	7.728	0.001	1
34	1	3	DC	C1'	C	85.901	0.000	1
35	1	3	DC	C2'	C	38.662	0.010	1
36	1	3	DC	C6	C	141.251	0.000	1
37	1	4	DT	H1'	H	5.679	0.003	1
38	1	4	DT	H2'	H	1.681	0.011	1
39	1	4	DT	H2''	H	2.027	0.009	1
40	1	4	DT	H3'	H	4.732	0.000	1
41	1	4	DT	H4'	H	4.496	0.004	1
42	1	4	DT	H5'	H	4.050	0.004	1
43	1	4	DT	H5''	H	3.956	0.011	1
44	1	4	DT	H6	H	7.220	0.003	1
45	1	4	DT	H71	H	1.645	0.013	1
46	1	4	DT	H72	H	1.645	0.013	1
47	1	4	DT	H73	H	1.645	0.013	1
48	1	4	DT	C1'	C	84.691	0.000	1
49	1	4	DT	C2'	C	38.052	0.000	1
50	1	4	DT	C6	C	136.215	0.000	1
51	1	4	DT	C7	C	11.799	0.000	1
52	1	5	DT	H1'	H	5.726	0.004	1
53	1	5	DT	H2'	H	1.721	0.012	1
54	1	5	DT	H2''	H	1.966	0.011	1
55	1	5	DT	H4'	H	4.353	0.006	1
56	1	5	DT	H5'	H	3.416	0.045	1
57	1	5	DT	H6	H	7.143	0.002	1
58	1	5	DT	H71	H	1.376	0.015	1
59	1	5	DT	H72	H	1.376	0.015	1
60	1	5	DT	H73	H	1.376	0.015	1
61	1	5	DT	C1'	C	84.307	0.000	1
62	1	5	DT	C2'	C	38.444	0.009	1
63	1	5	DT	C4'	C	85.599	0.000	1
64	1	5	DT	C6	C	136.159	0.000	1
65	1	5	DT	C7	C	11.734	0.000	1
66	1	6	DA	H1'	H	5.992	0.007	1
67	1	6	DA	H2	H	7.818	0.000	1
68	1	6	DA	H2'	H	2.326	0.004	1
69	1	6	DA	H2''	H	2.621	0.003	1
70	1	6	DA	H3'	H	4.731	0.002	1
71	1	6	DA	H4'	H	4.117	0.005	1
72	1	6	DA	H5'	H	4.008	0.000	1
73	1	6	DA	H8	H	7.449	0.007	1
74	1	6	DA	C1'	C	83.851	0.000	1
75	1	6	DA	C2	C	152.485	0.000	1
76	1	6	DA	C8	C	136.933	0.000	1
77	1	7	DG	H1	H	11.271	0.006	1
78	1	7	DG	H1'	H	5.691	0.004	1
79	1	7	DG	H2'	H	2.495	0.011	1
80	1	7	DG	H2''	H	3.000	0.011	1
81	1	7	DG	H3'	H	4.721	0.000	1
82	1	7	DG	H4'	H	4.170	0.006	1
83	1	7	DG	H5'	H	3.990	0.005	1
84	1	7	DG	H8	H	7.125	0.004	1
85	1	7	DG	C1'	C	86.062	0.000	1
86	1	7	DG	C2'	C	33.287	0.004	1
87	1	7	DG	C8	C	138.729	0.000	1
88	1	8	DG	H1	H	11.700	0.002	1
89	1	8	DG	H1'	H	5.778	0.001	1
90	1	8	DG	H2'	H	2.314	0.012	1
91	1	8	DG	H2''	H	2.526	0.009	1
92	1	8	DG	H3'	H	4.756	0.006	1
93	1	8	DG	H4'	H	4.292	0.007	1
94	1	8	DG	H5'	H	3.870	0.008	1
95	1	8	DG	H8	H	7.816	0.001	1
96	1	8	DG	C1'	C	81.255	0.000	1
97	1	8	DG	C2'	C	36.201	0.009	1
98	1	8	DG	C8	C	135.975	0.000	1
99	1	9	DC	H1'	H	5.409	0.002	1
100	1	9	DC	H2'	H	0.977	0.007	1
101	1	9	DC	H2''	H	1.983	0.008	1
102	1	9	DC	H3'	H	4.749	0.000	1
103	1	9	DC	H4'	H	3.732	0.004	1
104	1	9	DC	H5	H	5.337	0.004	1
105	1	9	DC	H5'	H	4.204	0.007	1
106	1	9	DC	H5''	H	3.877	0.009	1
107	1	9	DC	H6	H	6.859	0.004	1
108	1	9	DC	C1'	C	82.545	0.000	1
109	1	9	DC	C2'	C	37.118	0.015	1
110	1	9	DC	C4'	C	80.890	0.000	1
111	1	9	DC	C6	C	138.897	0.000	1
112	1	10	DT	H1'	H	6.303	0.003	1
113	1	10	DT	H2'	H	1.935	0.010	1
114	1	10	DT	H3'	H	4.909	0.007	1
115	1	10	DT	H4'	H	4.397	0.002	1
116	1	10	DT	H5'	H	3.377	0.006	1
117	1	10	DT	H5''	H	3.305	0.012	1
118	1	10	DT	H6	H	6.960	0.002	1
119	1	10	DT	H71	H	1.287	0.011	1
120	1	10	DT	H72	H	1.287	0.011	1
121	1	10	DT	H73	H	1.287	0.011	1
122	1	10	DT	C2'	C	35.875	0.000	1
123	1	10	DT	C6	C	137.247	0.000	1
124	1	10	DT	C7	C	11.047	0.000	1
125	1	11	DT	H1'	H	5.273	0.001	1
126	1	11	DT	H2'	H	1.587	0.011	1
127	1	11	DT	H2''	H	2.304	0.012	1
128	1	11	DT	H3	H	10.133	0.001	1
129	1	11	DT	H3'	H	4.554	0.001	1
130	1	11	DT	H4'	H	4.287	0.003	1
131	1	11	DT	H5'	H	3.973	0.012	1
132	1	11	DT	H5''	H	3.833	0.001	1
133	1	11	DT	H6	H	6.970	0.003	1
134	1	11	DT	H71	H	1.330	0.012	1
135	1	11	DT	H72	H	1.330	0.012	1
136	1	11	DT	H73	H	1.330	0.012	1
137	1	11	DT	C1'	C	88.504	0.000	1
138	1	11	DT	C2'	C	40.485	0.033	1
139	1	11	DT	C6	C	136.712	0.000	1
140	1	11	DT	C7	C	11.779	0.000	1
141	1	12	DA	H1'	H	6.089	0.001	1
142	1	12	DA	H2	H	7.569	0.000	1
143	1	12	DA	H2'	H	2.232	0.014	1
144	1	12	DA	H2''	H	2.514	0.013	1
145	1	12	DA	H3'	H	4.776	0.000	1
146	1	12	DA	H4'	H	4.378	0.001	1
147	1	12	DA	H5'	H	2.853	0.005	1
148	1	12	DA	H5''	H	2.631	0.005	1
149	1	12	DA	H8	H	7.978	0.001	1
150	1	12	DA	C1'	C	82.582	0.000	1
151	1	12	DA	C2	C	151.816	0.000	1
152	1	12	DA	C2'	C	40.195	0.002	1
153	1	12	DA	C8	C	139.722	0.000	1
154	1	13	DG	H1	H	11.912	0.001	1
155	1	13	DG	H1'	H	5.874	0.006	1
156	1	13	DG	H2'	H	2.304	0.026	1
157	1	13	DG	H3'	H	4.748	0.003	1
158	1	13	DG	H4'	H	4.281	0.001	1
159	1	13	DG	H5'	H	4.091	0.002	1
160	1	13	DG	H8	H	7.328	0.002	1
161	1	13	DG	C1'	C	80.925	0.000	1
162	1	13	DG	C2'	C	38.282	0.000	1
163	1	13	DG	C8	C	139.413	0.000	1
164	1	14	DG	H1	H	11.730	0.003	1
165	1	14	DG	H1'	H	5.877	0.003	1
166	1	14	DG	H2'	H	2.635	0.012	1
167	1	14	DG	H2''	H	3.211	0.014	1
168	1	14	DG	H3'	H	4.745	0.000	1
169	1	14	DG	H4'	H	4.278	0.001	1
170	1	14	DG	H5'	H	4.083	0.005	1
171	1	14	DG	H5''	H	3.954	0.004	1
172	1	14	DG	H8	H	7.462	0.003	1
173	1	14	DG	C1'	C	86.773	0.000	1
174	1	14	DG	C2'	C	32.445	0.009	1
175	1	14	DG	C8	C	134.621	0.000	1
176	1	15	DC	H1'	H	6.221	0.003	1
177	1	15	DC	H2'	H	2.206	0.012	1
178	1	15	DC	H2''	H	2.444	0.013	1
179	1	15	DC	H3'	H	4.829	0.003	1
180	1	15	DC	H4'	H	4.363	0.001	1
181	1	15	DC	H5	H	6.081	0.000	1
182	1	15	DC	H5'	H	4.158	0.008	1
183	1	15	DC	H5''	H	4.033	0.004	1
184	1	15	DC	H6	H	7.909	0.004	1
185	1	15	DC	C1'	C	86.494	0.000	1
186	1	15	DC	C2'	C	39.293	0.003	1
187	1	15	DC	C6	C	140.861	0.000	1
188	1	16	DT	H1'	H	6.201	0.003	1
189	1	16	DT	H2'	H	2.202	0.014	1
190	1	16	DT	H2''	H	2.292	0.009	1
191	1	16	DT	H3'	H	4.675	0.002	1
192	1	16	DT	H4'	H	4.183	0.002	1
193	1	16	DT	H5'	H	3.993	0.004	1
194	1	16	DT	H6	H	7.601	0.001	1
195	1	16	DT	H71	H	1.764	0.019	1
196	1	16	DT	H72	H	1.764	0.019	1
197	1	16	DT	H73	H	1.764	0.019	1
198	1	16	DT	C1'	C	84.963	0.000	1
199	1	16	DT	C2'	C	38.291	0.004	1
200	1	16	DT	C6	C	137.191	0.000	1
201	1	16	DT	C7	C	11.566	0.000	1
202	1	17	DT	H1'	H	5.520	0.001	1
203	1	17	DT	H2'	H	0.915	0.007	1
204	1	17	DT	H2''	H	1.378	0.005	1
205	1	17	DT	H3'	H	4.535	0.004	1
206	1	17	DT	H4'	H	4.183	0.006	1
207	1	17	DT	H5'	H	3.947	0.004	1
208	1	17	DT	H5''	H	3.730	0.010	1
209	1	17	DT	H6	H	6.959	0.002	1
210	1	17	DT	H71	H	1.351	0.014	1
211	1	17	DT	H72	H	1.351	0.014	1
212	1	17	DT	H73	H	1.351	0.014	1
213	1	17	DT	C1'	C	84.384	0.000	1
214	1	17	DT	C2'	C	36.451	0.020	1
215	1	17	DT	C6	C	135.016	0.000	1
216	1	17	DT	C7	C	11.297	0.000	1
217	1	18	DA	H1'	H	6.140	0.003	1
218	1	18	DA	H2	H	8.162	0.001	1
219	1	18	DA	H2'	H	2.650	0.014	1
220	1	18	DA	H2''	H	2.851	0.014	1
221	1	18	DA	H3'	H	4.864	0.000	1
222	1	18	DA	H4'	H	4.238	0.002	1
223	1	18	DA	H5'	H	3.837	0.005	1
224	1	18	DA	H5''	H	3.658	0.004	1
225	1	18	DA	H8	H	8.127	0.002	1
226	1	18	DA	C1'	C	82.936	0.000	1
227	1	18	DA	C2	C	153.112	0.000	1
228	1	18	DA	C2'	C	36.239	0.001	1
229	1	18	DA	C8	C	138.395	0.000	1
230	1	19	DG	H1	H	11.566	0.006	1
231	1	19	DG	H1'	H	5.896	0.001	1
232	1	19	DG	H2'	H	2.807	0.013	1
233	1	19	DG	H2''	H	3.384	0.017	1
234	1	19	DG	H3'	H	4.801	0.005	1
235	1	19	DG	H4'	H	4.370	0.004	1
236	1	19	DG	H5'	H	4.162	0.007	1
237	1	19	DG	H5''	H	4.043	0.006	1
238	1	19	DG	H8	H	7.152	0.002	1
239	1	19	DG	C1'	C	86.753	0.000	1
240	1	19	DG	C2'	C	32.722	0.003	1
241	1	19	DG	C8	C	139.058	0.000	1
242	1	20	DG	H1	H	11.540	0.001	1
243	1	20	DG	H1'	H	6.017	0.002	1
244	1	20	DG	H2'	H	2.214	0.018	1
245	1	20	DG	H2''	H	2.443	0.016	1
246	1	20	DG	H3'	H	4.603	0.000	1
247	1	20	DG	H4'	H	4.373	0.000	1
248	1	20	DG	H5'	H	4.187	0.004	1
249	1	20	DG	H5''	H	4.083	0.001	1
250	1	20	DG	H8	H	8.042	0.001	1
251	1	20	DG	C1'	C	81.069	0.000	1
252	1	20	DG	C2'	C	39.862	0.004	1
253	1	20	DG	C8	C	136.341	0.000	1

Release date

2021-06-10

Citation

G-quadruplex structure of the C. elegans telomeric repeat: a two tetrads basket type conformation stabilized by a non-canonical C-T base-pair
Marquevielle, J., De Rache, A., Vialet, B., Morvan, E., Mergny, J.L., Amrane, S.
Nucleic Acids Res. (2022), 50, 7134-7146, PubMed 35736226 , DOI 10.1093/nar/gkac523 , Abstract

Experiments performed 3 experiments Detail

#	Name	Isotope labeling	Concentration
1	Asc20	natural abundance	2.4 mM
2	KCl	natural abundance	70 mM
3	KPi	natural abundance	20 mM

#	Name	Isotope labeling	Concentration
1	Asc20	natural abundance	2.4 mM
2	KCl	natural abundance	70 mM
3	KPi	natural abundance	20 mM

#	Name	Isotope labeling	Concentration
1	Asc20	natural abundance	2.4 mM
2	KCl	natural abundance	70 mM
3	KPi	natural abundance	20 mM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34631_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: bmr34631_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	253		100.0 (chain: 1, length: 20)
1	Chemical shift references	chem_shift_reference_1	OK	1		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1

Status: Warning
Sequence coverage of experimental data
- Entity_assembly_ID: 1, Chain length: 20, Sequence coverage: 100.0%
Total number of assignments
- ¹H chemical shifts: 184
- ¹³C chemical shifts: 69

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
1	DG	H21	10.39
1	DG	H22	6.181
1	DG	C1'	87.172
1	DG	C2'	35.072
1	DG	C8	138.658
2	DG	C1'	80.704
2	DG	C2'	37.148
2	DG	C8	134.964
3	DC	C1'	85.901
3	DC	C2'	38.662
3	DC	C6	141.251
4	DT	C1'	84.691
4	DT	C2'	38.052
4	DT	C6	136.215
4	DT	C7	11.799
5	DT	C1'	84.307
5	DT	C2'	38.444
5	DT	C4'	85.599
5	DT	C6	136.159
5	DT	C7	11.734
6	DA	C1'	83.851
6	DA	C2	152.485
6	DA	C8	136.933
7	DG	C1'	86.062
7	DG	C2'	33.287
7	DG	C8	138.729
8	DG	C1'	81.255
8	DG	C2'	36.201
8	DG	C8	135.975
9	DC	C1'	82.545
9	DC	C2'	37.118
9	DC	C4'	80.89
9	DC	C6	138.897
10	DT	C2'	35.875
10	DT	C6	137.247
10	DT	C7	11.047
11	DT	C1'	88.504
11	DT	C2'	40.485
11	DT	C6	136.712
11	DT	C7	11.779
12	DA	C1'	82.582
12	DA	C2	151.816
12	DA	C2'	40.195
12	DA	C8	139.722
13	DG	C1'	80.925
13	DG	C2'	38.282
13	DG	C8	139.413
14	DG	C1'	86.773
14	DG	C2'	32.445
14	DG	C8	134.621
15	DC	C1'	86.494
15	DC	C2'	39.293
15	DC	C6	140.861
16	DT	C1'	84.963
16	DT	C2'	38.291
16	DT	C6	137.191
16	DT	C7	11.566
17	DT	C1'	84.384
17	DT	C2'	36.451
17	DT	C6	135.016
17	DT	C7	11.297
18	DA	C1'	82.936
18	DA	C2	153.112
18	DA	C2'	36.239
18	DA	C8	138.395
19	DG	C1'	86.753
19	DG	C2'	32.722
19	DG	C8	139.058
20	DG	C1'	81.069
20	DG	C2'	39.862
20	DG	C8	136.341

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	192	170	88.5

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	140	129	92.1

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	52	41	78.8

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	6	6	100.0
¹³C chemical shifts	6	6	100.0

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	14	14	100.0

Histogram of normalized assigned chemical shifts

Keywords C. elegans telomere, DNA, G-quadruplex

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BMRB: 34631

Experiments performed 3 experiments Detail

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Chemical shift validation 4 contents Detail