Chemical Exchange Lineshape Software. This is a set of programs for calculating the lineshapes in both coupled and uncoupled spin systems
http://www.chemistry.mcmaster.ca/~bain/mexmanc.html
ModelFree is a program for optimizing "Lipari-Szabo model free" parameters to heteronuclear relaxation data.
http://cpmcnet.columbia.edu/dept/gsas/biochem/labs/palmer/software/modelfree.html
Advanced Chemistry Development offers the industry standard HNMR, CNMR, XNMR, and 2D NMR prediction software and databases.
http://www.acdlabs.com/products/spec_lab/predict_nmr/
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