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Many thanks to Brian and Simon for your quick answers. It was indeed all about setting CO atom types. I assigned the missing ones now and, voila, works now pretty fine. Issue solved. Regards, Marcel Brian Smith wrote: > There are a couple of things that sometimes affect this: > > 1. CO atom types. If you have CO atoms picked, analysis is often quite > fussy about having them already typed as CO rather than just given a > resonance. I've been meaning to write a macro to type the 13C dim of > all HNCO & HNCACO peaks to C, but Tim can probably give us chapter and > verse in about three lines of code. > > 2. aliasing. For Gly, Ser & maybe Thr where your N is aliased, since > analysis uses the BMRB database values to calculate the likelihood of > being a particular residue type, an aliased N shift will result in a > poor match. Good practice is to always record 15N HSQCs at a couple of > different 15N sweepwidths so you can easily identify the aliased > peaks. > -- Marcel Jurk Leibniz Institut fuer Molekulare Pharmakologie (FMP) Solution NMR (AG Schmieder) Robert-Roessle-Str. 10 13125 Berlin Germany eMail: [log in to unmask] Phone: +49-30-94793223 Fax: +49-030-94793169