BMRB

Biological Magnetic Resonance Data Bank


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

DADP ()

bmst000231 Theoretical Data

Entry STAR file: bmst000231.str
Generated Data for: dADP
BMRB Entry DOI: doi:10.13018/BMST000231
PDB file: bmst000231

Displaying

Natural Isotopic formula weight:

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1P1-4.099
2P2-6.613
3N1285.126
4N13175.567
5N14264.029
6N15258.677
7N16244.454
8C1773.357
9C1896.045
10C1996.167
11C2079.682
12C2137.037
13C22160.713
14C23156.390
15C24127.180
16C25147.604
17C26161.005
18H278.426
19H284.250
20H294.515
21H300.470
22H315.454
23H326.215
24H335.060
25H346.660
26H357.361
27H365.232
28H375.100
29H383.288
30H395.123
31H408.653
32H4110.107

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