Prediction Software
Links
HyperNMR
http://www.hallogram.com/science/hypernmr/index.html
Commercial program for a priori prediction of one-dimensional NMR spectra
MEXICO and MEX
http://www.chemistry.mcmaster.ca/~bain/mexmanc.html
Chemical Exchange Lineshape Software. This is a set of programs for calculating the lineshapes in both coupled and uncoupled spin systems
Gaussian Inc.
Gaussian structure calculation software for your PC.
ModelFree
http://cpmcnet.columbia.edu/dept/gsas/biochem/labs/palmer/software/modelfree.html
ModelFree is a program for optimizing "Lipari-Szabo model free" parameters to heteronuclear relaxation data.
H1 Prediction
http://www.colby.edu/chemistry/NMR/H1pred.html
WEB based prediction of proton chemical shifts.
BioMagResBank
Repository for data from NMR spectroscopy on proteins, peptides, and nucleic acids.