I-PINE, CA and CO shifts

[Ivan S. Podkorytov]

Hi Woonghee,

 

I do not understand discrepancy in CA and CO shifts in

http://zavot.nmrfam.wisc.edu/upload/script/users/210312_074103_437033/results/

 

My spectra contain an HSQC peak

{H, N} = {8.722, 108.436}

with corresponding CA, CA(-1), CB, CO, CO(-1) at

{44.104, 57.710, 69.885, 172.943, 173.201}

In contrast, the file protein_backbone_assignment.txt combines the same {H, N} with different CA and CO:

28       GLY  1.000   8.722  108.44  175.14   46.30

Where are CA = 46.30 and CO = 175.14  from? What is wrong?

 

Thank you and best wishes,

Ivan.

[Lee, Woonghee]

Hi Ivan,

 

It is difficult to identify what is going on with your data unless I have access to the raw spectra. I am reluctant to go each line of your peak lists because it requires time and effort. There’s a fairly good reason if you’ve received some results. In a quick glance, you need CBCA(CO)NH or another experiment that provides CB(-1) without CB.

 

Good luck!

Woonghee  

 

--

Woonghee Lee, I.E.I.P., M.S., Ph.D.

 

Assistant Professor

Department of Chemistry

University of Colorado Denver

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Denver, CO 80217-3364, USA

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