Entry STAR file: bmst000261.str
Generated Data for: L-histidine
BMRB Entry DOI: doi:10.13018/BMST000261
PDB file: bmst000261
Natural Isotopic formula weight: 155.1545600000
Shift ID | Atom ID | Value |
---|---|---|
1 | C1 | 130.555 |
2 | C2 | 130.549 |
3 | C3 | 30.339 |
4 | C4 | 126.433 |
5 | C5 | 54.835 |
6 | C6 | 182.171 |
7 | N7 | 36.146 |
8 | N8 | 169.337 |
9 | N9 | 296.302 |
10 | H12 | 9.285 |
11 | H13 | 8.416 |
12 | H14 | 3.705 |
13 | H15 | 3.865 |
14 | H16 | 4.462 |
15 | H17 | 1.659 |
16 | H18 | 2.025 |
17 | H19 | 8.591 |
18 | H20 | 6.494 |
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