Entry STAR file: bmst000212.str
Generated Data for: 4-Nitrophenyl phosphate
BMRB Entry DOI: doi:10.13018/BMST000212
PDB file: bmst000212
Natural Isotopic formula weight: 219.0887010000
Shift ID | Atom ID | Value |
---|---|---|
1 | P1 | 4.122 |
2 | N8 | 389.620 |
3 | C9 | 167.775 |
4 | C10 | 156.686 |
5 | C11 | 129.126 |
6 | C12 | 126.981 |
7 | C13 | 132.989 |
8 | C14 | 133.085 |
9 | H15 | 4.481 |
10 | H16 | 4.076 |
11 | H17 | 8.644 |
12 | H18 | 9.375 |
13 | H19 | 9.778 |
14 | H20 | 9.677 |
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