BMRB

Biological Magnetic Resonance Data Bank


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

D-Alanine ()

bmst000172 Theoretical Data

Entry STAR file: bmst000172.str
Generated Data for: D-Alanine
BMRB Entry DOI: doi:10.13018/BMST000172
PDB file: bmst000172

Displaying

Natural Isotopic formula weight:

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1N138.837
2C253.448
3C318.791
4C4185.223
5H71.694
6H80.604
7H94.700
8H101.932
9H112.673
10H122.713
11H136.399

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