Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Entry STAR file: bmst000101.str
Generated Data for: L-homoserine
BMRB Entry DOI: doi:10.13018/BMST000101
PDB file: bmst000101
Natural Isotopic formula weight: 119.1191600000
Shift ID | Atom ID | Value |
---|---|---|
1 | N1 | 38.160 |
2 | C2 | 52.253 |
3 | C3 | 179.760 |
4 | C4 | 35.762 |
5 | C7 | 62.274 |
6 | H9 | 2.184 |
7 | H10 | 0.700 |
8 | H11 | 4.313 |
9 | H12 | 2.753 |
10 | H13 | 3.434 |
11 | H14 | 6.427 |
12 | H15 | 4.623 |
13 | H16 | 5.325 |
14 | H17 | -0.061 |
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