BMRB: 18873

Chemical shift assignment for Lewisx with a (CH2)3NH2 spacer

Authors

Zierke, M., Ernst, B., Allain, F., Schubert, M.

Assembly

Lewisx-sp8 acetate

Entity

1. Lewisx-sp8 (polymer, Thiol state: not present), 4 monomers, 511.4742 Da
2. Lewisx-sp8 acetate, entity ACY (non-polymer), 60.052 Da

Total weight

571.5262 Da

Max. entity weight

511.4742 Da

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 31, ¹³C: 22 assignments Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	SP8a	H11	H	4.019	0.003	1
2	1	1	SP8a	H12	H	3.711	0.006	1
3	1	1	SP8a	H21	H	1.948	0.002	2
4	1	1	SP8a	H22	H	1.948	0.002	2
5	1	1	SP8a	H31	H	3.077	0.002	2
6	1	1	SP8a	H32	H	3.077	0.002	2
7	1	1	SP8a	C1	C	70.663	0.050	1
8	1	1	SP8a	C2	C	29.424	0.050	1
9	1	1	SP8a	C3	C	40.327	0.050	1
10	1	2	NAG	H1	H	4.525	0.003	1
11	1	2	NAG	H2	H	3.943	0.002	1
12	1	2	NAG	H3	H	3.863	0.005	1
13	1	2	NAG	H4	H	3.934	0.003	1
14	1	2	NAG	H5	H	3.602	0.002	1
15	1	2	NAG	H81	H	2.042	0.002	1
16	1	2	NAG	H82	H	2.042	0.002	1
17	1	2	NAG	H83	H	2.042	0.002	1
18	1	2	NAG	H61	H	3.866	0.002	1
19	1	2	NAG	H62	H	4.011	0.003	1
20	1	2	NAG	C1	C	103.742	0.050	1
21	1	2	NAG	C2	C	58.513	0.050	1
22	1	2	NAG	C3	C	77.557	0.050	1
23	1	2	NAG	C4	C	75.979	0.050	1
24	1	2	NAG	C5	C	77.996	0.050	1
25	1	2	NAG	C6	C	62.396	0.050	1
26	1	2	NAG	C8	C	24.926	0.050	1
27	1	3	GAL	H1	H	4.457	0.003	1
28	1	3	GAL	H2	H	3.502	0.002	1
29	1	3	GAL	H3	H	3.653	0.002	1
30	1	3	GAL	H4	H	3.896	0.002	1
31	1	3	GAL	H5	H	3.603	0.002	1
32	1	3	GAL	H61	H	3.725	0.002	2
33	1	3	GAL	H62	H	3.725	0.002	2
34	1	3	GAL	C1	C	104.524	0.050	1
35	1	3	GAL	C2	C	73.753	0.050	1
36	1	3	GAL	C3	C	75.173	0.050	1
37	1	3	GAL	C4	C	71.072	0.050	1
38	1	3	GAL	C5	C	77.669	0.050	1
39	1	3	GAL	C6	C	64.290	0.050	1
40	1	4	FUC	H1	H	5.128	0.004	1
41	1	4	FUC	H2	H	3.698	0.006	1
42	1	4	FUC	H3	H	3.902	0.004	1
43	1	4	FUC	H4	H	3.794	0.003	1
44	1	4	FUC	H5	H	4.838	0.003	1
45	1	4	FUC	H61	H	1.178	0.002	1
46	1	4	FUC	H62	H	1.178	0.002	1
47	1	4	FUC	H63	H	1.178	0.002	1
48	1	4	FUC	C1	C	101.367	0.050	1
49	1	4	FUC	C2	C	70.354	0.050	1
50	1	4	FUC	C3	C	71.919	0.050	1
51	1	4	FUC	C4	C	74.602	0.050	1
52	1	4	FUC	C5	C	69.474	0.050	1
53	1	4	FUC	C6	C	18.049	0.050	1

Release date

2013-09-25

Citation

Stabilization of branched oligosaccharides: Lewis(x) benefits from a nonconventional C-H···O hydrogen bond
Zierke, M., Smiesko, M., Rabbani, S., Aeschbacher, T., Cutting, B., Allain, F.H.-T., Schubert, M., Ernst, B.
J. Am. Chem. Soc. (2013), 135, 13464-13472, PubMed 24001318 , DOI 10.1021/ja4054702 , Abstract

Entries sharing articles BMRB: 1 entries Detail

Experiments performed 4 experiments Detail

Chemical shift validation 4 contents Detail