Entry STAR file: bmst000258.str
Generated Data for: L-lysine
BMRB Entry DOI: doi:10.13018/BMST000258
PDB file: bmst000258
Natural Isotopic formula weight: 146.1875600000
Shift ID | Atom ID | Value |
---|---|---|
1 | N1 | 39.376 |
2 | C2 | 55.415 |
3 | C3 | 180.403 |
4 | C5 | 35.200 |
5 | C6 | 24.360 |
6 | C7 | 31.388 |
7 | C8 | 43.810 |
8 | N9 | 37.678 |
9 | H11 | 2.220 |
10 | H12 | 0.721 |
11 | H13 | 4.306 |
12 | H14 | 2.365 |
13 | H15 | 2.993 |
14 | H16 | 2.009 |
15 | H17 | 2.966 |
16 | H18 | 2.184 |
17 | H19 | 2.656 |
18 | H20 | 3.670 |
19 | H21 | 3.565 |
20 | H22 | 0.839 |
21 | H23 | 0.319 |
22 | H24 | 6.437 |
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