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

Previous: 1040

Oh, you are right. Then, spreadsheet is the easiest way I can think of :)

On Sep 24, 2015 8:20 AM, Marco Sette m77it@... [nmr_sparky] nmr_sparky@yahoogroups.com wrote:
 

Dear Woonghee,

thanks for your suggestion.
Unfortunately the protein is not labelled. Only primitive 2D TOCSY and NOESY homonuclear spectra.

Best,
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@...


Da: Woonghee Lee woonghee791113@... [nmr_sparky] nmr_sparky@yahoogroups.com
A: nmr_sparky@yahoogroups.com
Inviato: Giovedì 24 Settembre 2015 15:11
Oggetto: Re: [nmr_sparky] Assignment at a different pH

 
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@...