Entry STAR file: bmst000243.str
Generated Data for: Cytosine
BMRB Entry DOI: doi:10.13018/BMST000243
PDB file: bmst000243
Natural Isotopic formula weight: 111.1020000000
Shift ID | Atom ID | Value |
---|---|---|
1 | N2 | 74.927 |
2 | N3 | 144.480 |
3 | N4 | 290.533 |
4 | C5 | 150.979 |
5 | C6 | 153.250 |
6 | C7 | 164.175 |
7 | C8 | 84.214 |
8 | H9 | 3.845 |
9 | H10 | 3.994 |
10 | H11 | 6.629 |
11 | H12 | 9.624 |
12 | H13 | 6.391 |
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