BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

(1-Amino-1-phenylmethyl)phosphonic acid (C7 H10 N O3 P)

bmst000208 Theoretical Data

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

Displaying 1_amino_1_phenylmethyl_phosphonic_acid_675736_opt.pdb

Natural Isotopic formula weight: 187.1329610000

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