BMRB

Biological Magnetic Resonance Data Bank


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

L-aspartic Acid ()

bmst000268 Theoretical Data

Entry STAR file: bmst000268.str
Generated Data for: L-aspartic acid
BMRB Entry DOI: doi:10.13018/BMST000268
PDB file: bmst000268

Displaying

Natural Isotopic formula weight:

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1N133.623
2C252.101
3C3179.192
4C540.208
5C6173.260
6H102.501
7H110.845
8H125.203
9H133.691
10H143.685
11H156.311
12H166.656

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