Subject: Re: [nmr_sparky] Re: Errors in Pre-assignment File
From: Arun Gupta
Date: Aug 8, 2017

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Hi Lee,

Thanks for your suggestions. I want to check how does this single point mutant assignment come out from PINE-NMRv3.0 after I input the wt-HSQC spectrum as pre-assignment file on PINE-NMRv3.0 with mutant 3D backbone data from backbone triple resonance experiments. My wt-HSQC spectrum is exactly matched with mutant-HSQC. So I would be able to read peak list (rp) on to the mutant HSQC spectrum from the 15NHSQClist generated by PINE-NMRv3.0 and can make direct comparison with wt-HSQC spectrum . Can you plz suggest how to prepare separately pre-assignment file from wtHSQC spectra.

Thanks

Arun Gupta


On Tuesday, August 8, 2017 6:54 PM, woonghee791113@... [nmr_sparky] nmr_sparky@yahoogroups.com wrote:


Hi,

Now I fully understand.
If you just compare assignments between two N-HSQCs, you can use np (Perturbation Plot).
If you want to selectively apply a few assignments from existing N-HSQC, you can do this.

1. Prepare peaks in experiments from your mutant (ae)
2. Delete all the peaks in the mtN-HSQC
2. Copy all the assignments from wtN-HSQC and paste to mtN-HSQC (pa, oc in wt and op in mt).
3. Adjust positions in mtNHSQC. Delete unmatching peaks.
4. Discard wildtype experiments in the project. And type dr to clear unused resonances.
5. Run PINE with pre-assignment.

PINE will use assignments remaining in mtN-HSQC.

Woonghee