Entry STAR file: bmst000268.str
Generated Data for: L-aspartic acid
BMRB Entry DOI: doi:10.13018/BMST000268
PDB file: bmst000268
Natural Isotopic formula weight: 133.1026800000
Shift ID | Atom ID | Value |
---|---|---|
1 | N1 | 33.623 |
2 | C2 | 52.101 |
3 | C3 | 179.192 |
4 | C5 | 40.208 |
5 | C6 | 173.260 |
6 | H10 | 2.501 |
7 | H11 | 0.845 |
8 | H12 | 5.203 |
9 | H13 | 3.691 |
10 | H14 | 3.685 |
11 | H15 | 6.311 |
12 | H16 | 6.656 |
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