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: bmst000183.str
Generated Data for: D-Xylonate
BMRB Entry DOI: doi:10.13018/BMST000183
PDB file: bmst000183
Natural Isotopic formula weight: 166.1293000000
Shift ID | Atom ID | Value |
---|---|---|
1 | C1 | 70.751 |
2 | C2 | 77.710 |
3 | C3 | 69.519 |
4 | C5 | 184.078 |
5 | C7 | 67.609 |
6 | H12 | 4.879 |
7 | H13 | 5.220 |
8 | H14 | 5.301 |
9 | H15 | 2.572 |
10 | H16 | 1.195 |
11 | H17 | 4.699 |
12 | H18 | 4.788 |
13 | H19 | 3.169 |
14 | H20 | 6.502 |
15 | H21 | 0.499 |
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