Glycine (C2 H5 N O2)
bmst000084 Theoretical Data
Entry STAR file: bmst000084.str
Generated Data for: glycine
BMRB Entry DOI: doi:10.13018/BMST000084
PDB file: bmst000084
Displaying
Natural Isotopic formula weight: 75.0666000000
Theoretically calculated chemical shifts
| Shift ID | Atom ID | Value |
|---|---|---|
| 1 | C1 | 173.317 |
| 2 | N4 | 19.831 |
| 3 | C5 | 44.201 |
| 4 | H6 | 6.298 |
| 5 | H7 | 0.438 |
| 6 | H8 | 1.808 |
| 7 | H9 | 4.247 |
| 8 | H10 | 4.297 |
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