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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.
NMRPen NMR Shift Prediction Software
Software for predicting the chemical shift of various compounds.
Predicting NMR Spectra
Advanced Chemistry Development offers the industry standard HNMR, CNMR, XNMR, and 2D NMR prediction software and databases.