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Software Prediction Software

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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.

Modgraph Consultants Ltd. - Extensive data base of compounds and NMR prediction software.

Predicting NMR Spectra - Advanced Chemistry Development offers the industry standard HNMR, CNMR, XNMR, and 2D NMR prediction software and databases.

ScienceSoft's NMR Software Site - Automated optimization and analysis of multi-dimensional Nuclear Magnetic Resonance spectra using NMRanalyst, AssembleIt, LockIt, and ShimIt.

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