Entry STAR file: bmst000267.str
Generated Data for: L-Canavanine
BMRB Entry DOI: doi:10.13018/BMST000267
PDB file: bmst000267
Natural Isotopic formula weight: 176.1737800000
Shift ID | Atom ID | Value |
---|---|---|
1 | N1 | 38.363 |
2 | C2 | 52.186 |
3 | C3 | 33.031 |
4 | C4 | 70.723 |
5 | C5 | 179.776 |
6 | N7 | 294.586 |
7 | C8 | 150.202 |
8 | N9 | 57.205 |
9 | N10 | 65.285 |
10 | H13 | 2.229 |
11 | H14 | 0.689 |
12 | H15 | 4.321 |
13 | H16 | 2.651 |
14 | H17 | 3.383 |
15 | H18 | 4.751 |
16 | H19 | 5.515 |
17 | H20 | 3.114 |
18 | H21 | 2.602 |
19 | H22 | 3.188 |
20 | H23 | 5.282 |
21 | H24 | 6.500 |
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