Assignment labels for 3d experiments

[Tanveer Shaikh]

Hi Dr. Li,

I am Tanveer Shaikh from Mississippi State University. I did NMR assignments using CARA and then exported the peak list in sparky format. I hit "rp" to read peaks and created the labels on my TROSY as well as HNCOCA, HNCA, HNCO etc.  After that when I hit "LT" it only shows the lables for TROSY peaks in the assignment column but not for the other spectra (It showed ?-?-?). The labels are created but they only show in table when I select "User label" option. 

I am thinking the format of the labels are incorrect. The labels look like this K10_N-K10_CA-1-K10_H for the HNCOCA experiment. What should be the correct format in the peaklist.

Regards

Tanveer

[Lee, Woonghee]

Dear Tanveer,

Assignment label format is incorrect for POKY/SPARKY in your case. Particularly “-1” should be avoided. Rather the explicit number “9” and actual amino acid letter should be used. If 9 is glycine, it should be G9CA not K10CA-1. Hope this helps. By the way, I am not Li- I believe “Li” is more common last name used among Chinese, and I am not.

Best,

Woonghee Lee, I.E.I.P., M.S., Ph.D. 

Assistant Professor & Data Science and Chemistry Certificate Program Director

Department of Chemistry

Center for Advanced Computational Molecular Science

University of Colorado Denver

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From: nmr-s...@googlegroups.com <nmr-s...@googlegroups.com> on behalf of Tanveer Shaikh <tanveers...@gmail.com>
Date: Thursday, November 20, 2025 at 11:53 AM
To: NMR POKY/SPARKY USER GROUP <nmr-s...@googlegroups.com>
Subject: [NMR POKY/SPARKY] Assignment labels for 3d experiments

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[Tanveer Shaikh]

Thank you Dr. Lee,

So, the correct format should be K10N-G9CA-K10H. Also, sorry about using the wrong name.

Tanveer