CHESCA analysis for methyl HSQC data

[Yamanappa Hunashal]

Dear all, 

I am doing CHESCA analysis and for CCS calculation (Compounded chemical shift),

 SPARKY uses ccs=0.2DN +DH equation for the 15N-1H HSQC data. I want use 13C-1H

 methyl HSQC's for CHESCA. Is there any way to edit the constant to get CCS for methyl's

 in SPARKY? or one can use same equation.

Yamanappa

[Lee, Woonghee]

Dear Yamanappa,

 

Have you tried the CHESCA-SPARKY plugin “ch” ? I wrote it to support N-HSQCs, and I don’t know if that will work on C-HSQCs but you can just try. I remember I make it to accept the N-to-H ratio.

 

Best,

Woonghee

 

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

 

Assistant Professor

Department of Chemistry

University of Colorado Denver

1151 Arapahoe St. (Science Bldg.) Rm 4128A (office), Rm 4128 (dry lab), Rm 4133 (wet lab)

Denver, CO 80217-3364, USA

Office: +1-303-315-7672

woongh...@ucdenver.edu

 

https://poky.clas.ucdenver.edu

https://poky.clas.ucdenver.edu/wlee-group

https://clas.ucdenver.edu/chemistry/woonghee-lee

 

Shipping/Mailing Address:

Woonghee Lee

1201 5^th St. UCD CHEM-194

P.O. Box 173364 (USPS)

Denver, CO 80204, USA

 

From: <nmr-s...@googlegroups.com> on behalf of Yamanappa Hunashal <ylhun...@gmail.com>
Date: Thursday, May 5, 2022 at 2:44 PM
To: NMR POKY/SPARKY USER GROUP <nmr-s...@googlegroups.com>
Subject: [NMR POKY/SPARKY] CHESCA analysis for methyl HSQC data

 

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[Yamanappa Hunashal]

Dear Dr. Woonghee Lee,

I tried Sparky extension for the methyl HSQC data and it worked fine ie. analysis done without any error. 

We were just trying to modify and try the same calculation by using the ratio of gyromagnetic's values for 13C-1H NMR data. We didn't get how we could modify the constant for CCS analysis in the Sparky.

Yamanappa

--

Yamanappa Hunashal, Ph.D.

Postdoctoral Fellow

UConn Health | Molecular Biology & Biophysics (L5078)

263 Farmington Avenue | Farmington, CT, USA 06030-3305

huna...@uchc.edu

[Lee, Woonghee]

Dear Yamanappa,

I meant you could just change N-to-H ratio and run. Didn't it work?

Best,

Woonghee

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From: nmr-s...@googlegroups.com <nmr-s...@googlegroups.com> on behalf of Yamanappa Hunashal <ylhun...@gmail.com>
Sent: Thursday, May 5, 2022 3:07:04 PM
To: Lee, Woonghee <WOONGH...@UCDENVER.EDU>
Cc: NMR POKY/SPARKY USER GROUP <nmr-s...@googlegroups.com>
Subject: Re: [NMR POKY/SPARKY] CHESCA analysis for methyl HSQC data

 

To view this discussion on the web visit https://groups.google.com/d/msgid/nmr-sparky/CAEsSBmRXBxmeLZLsCifKYiz2RM3nCbaP%3DL2qNgPerVGbY2A-xQ%40mail.gmail.com.

[Yamanappa Hunashal]

It worked!.

Thank you.

--

[Lee, Woonghee]

Glad you report this. We now know it also works for methyl HSQCs. 

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From: Yamanappa Hunashal <ylhun...@gmail.com>
Sent: Thursday, May 5, 2022 3:12:37 PM