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-glutamine ()

bmst000262 Theoretical Data

Entry STAR file: bmst000262.str
Generated Data for: L-glutamine
BMRB Entry DOI: doi:10.13018/BMST000262
PDB file: bmst000262

Displaying

Natural Isotopic formula weight:

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1N140.929
2C258.548
3C3179.575
4C527.517
5C633.534
6C7170.537
7N9108.164
8H112.098
9H120.933
10H134.266
11H143.207
12H152.973
13H163.030
14H173.398
15H184.825
16H195.473
17H206.401

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