V. Govindaraju et al., MEASUREMENT OF CHEMICAL-SHIFTS AND COUPLING-CONSTANTS FOR GLUTAMATE AND GLUTAMINE, Magnetic resonance in medicine, 39(6), 1998, pp. 1011-1013
Proton chemical shifts and coupling constants were obtained for glutam
ate and glutamine in water (D2O) at pH = 6.6. Initial chemical shift a
nd coupling constant values obtained from experimental spectra were re
fined using a spectral simulation and optimization program to get a co
mplete set of values that could not otherwise be measured directly fro
m the experimental spectra due to strong spin-spin couplings. These va
lues are essential for automated spectral fitting procedures that requ
ire a priori information.