BMRB

Biological Magnetic Resonance Data Bank


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

4-Nitrophenyl Phosphate ()

bmst000212 Theoretical Data

Entry STAR file: bmst000212.str
Generated Data for: 4-Nitrophenyl phosphate
BMRB Entry DOI: doi:10.13018/BMST000212
PDB file: bmst000212

Displaying

Natural Isotopic formula weight:

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1P14.122
2N8389.620
3C9167.775
4C10156.686
5C11129.126
6C12126.981
7C13132.989
8C14133.085
9H154.481
10H164.076
11H178.644
12H189.375
13H199.778
14H209.677

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