BioMagResBank: Repository for data from NMR spectroscopy on proteins, peptides, and nucleic acids.
Chemical shifts for deuterated solvents: A table.
Gaussian Inc.: Gaussian structure calculation software for your PC.
H1 Prediction: WEB based prediction of proton chemical shifts.
HyperNMR: Commercial program for a priori prediction of one-dimensional NMR spectra
MEXICO and MEX: Chemical Exchange Lineshape Software. This is a set of programs for calculating the lineshapes in both coupled and uncoupled spin systems
ModelFree: ModelFree is a program for optimizing "Lipari-Szabo model free" parameters to heteronuclear relaxation data.
Predicting NMR Spectra: Advanced Chemistry Development offers the industry standard HNMR, CNMR, XNMR, and 2D NMR prediction software and databases.