Subject: Re: [nmr_sparky] Assignment at a different pH
From: Woonghee Lee
Date: Sep 24, 2015

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Dear Marco,

If yoi have nhsqc and chsqc, you can use transfer and simulate tool (ta) to repopulate assignments onto the spectra. Adjust peak positions, and do the same onto the other 3D spectra.

Best,
Woonghee

On Sep 24, 2015 8:02 AM, Marco Sette m77it@... [nmr_sparky] nmr_sparky@yahoogroups.com wrote:
 


Dear all,

I have a unlabelled small protein already assigned in the past at a different pH. Since it is not labeled I have TOCSY and NOESY data at the new pH and a chemical shift assignment at the old pH.
It seems that the chemical shift change of about 0.1 ppm changing the pH.
Is there some automatic way that use the old assignments and check the NOESY pathway in the new pH data or I need to do manually step by step?

Thanks,
Marco



Dr.Marco Sette, Ph.D.
Department of Chemical Sciences and Technology
University of Rome, Tor Vergata
via della Ricerca Scientifica, 00133, Rome, Italy
e-mail: sette@...
e-mail: m77it@...