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-tyrosine ()

bmst000249 Theoretical Data

Entry STAR file: bmst000249.str
Generated Data for: L-tyrosine
BMRB Entry DOI: doi:10.13018/BMST000249
PDB file: bmst000249

Displaying

Natural Isotopic formula weight:

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1C1134.200
2C2132.463
3C3113.781
4C4114.865
5C536.069
6C6129.998
7C7157.827
8C855.520
9C9180.326
10N1044.650
11H149.091
12H158.349
13H167.418
14H178.014
15H183.834
16H193.597
17H204.338
18H211.922
19H221.200
20H234.304
21H246.284

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