bmst000208 Theoretical Data      Entry STAR file: bmst000208.str      Generated Data for: 1_amino_1_phenylmethyl_phosphonic_acid_675736

Natural Isotopic formula weight: 187.1329610000

1_amino_1_phenylmethyl_phosphonic_acid_675736_opt.pdb

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1H18.539
2H28.637
3H38.505
4H49.033
5H58.292
6H64.436
7H71.642
8H81.957
9H98.618
10H103.514
11C11135.485
12C12136.178
13C13134.917
14C14134.314
15C15136.601
16C16143.517
17C1760.436
18N1843.957
19P2227.668