BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Uridine 5'-Diphospho-N-Acetlyglucosamine ()

bmst000241 Theoretical Data

Entry STAR file: bmst000241.str
Generated Data for: Uridine 5'-Diphospho-N-Acetlyglucosamine
BMRB Entry DOI: doi:10.13018/BMST000241
PDB file: bmst000241

Displaying

Natural Isotopic formula weight:

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1C125.088
2C2109.245
3C3153.733
4C468.622
5C569.522
6C6166.865
7C7157.063
8C880.502
9C994.899
10C1056.989
11C1176.804
12C1280.565
13C1378.429
14C1476.363
15C15108.322
16C16103.747
17C17189.086
18N18167.571
19N19124.276
20N20148.812
21P38-5.606
22P39-5.309
23H404.774
24H413.019
25H422.454
26H436.805
27H448.342
28H454.987
29H465.240
30H474.845
31H486.054
32H494.626
33H505.194
34H514.990
35H524.517
36H534.978
37H544.131
38H556.658
39H566.379
40H575.483
41H587.281
42H594.960
43H600.380
44H612.170
45H620.603
46H631.656
47H640.643
48H658.495
49H665.238

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773