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  • Have been using Jmol and JSpecView for last month. In proton NMR predicted data, -OH, -NH and -NH2 groups do not appear in spectral data. Why? For calculation parameters for proton and carbon-13 predictions, have not been able to vary 400 MHz proton and 100 MHz proton-decoupled carbon-13. Why? Tried 1H and 13C predictions of BioTopics streptomycin.mol with success as of 11/16/2016. Not bad!