Hi,
First, sorry for the narative, but I think it might help with my later questions. I started an assignment project from an 1H,15N HSQC and the ccpnmr-analysis-basics tutorial on the website. I assigned the HSQC with the initialize HSQC macro. I then brought in my 3D data sets and linked the HSQC peak list with the 3D peak lists using the Link Peak Lists utility. I then wanted to link sequential spin systems using that utility. This is were my questions/problems occurred.
1) Is there an easy way to merge resonances? The 13C resonance of the i-1 peak in the HNCA and the corresponding peak in the HN(CO)CA have different resonance numbers, and they should be the same. Also, the 13C resonance of the i peak in the HNCA does not belong to the same spin system as the 1H and 15N resonance. Presumably, this was done because a priori we do not know which of the HNCA 13C peaks is i or i-1, but with the HN(CO)CA we do. So I guess the second question here is can this process be streamlined (or did I miss something in an earlier step)?
2) Next is more of a problem than question. When I run the Link Sequential Spin Systems utility, set up as described in the tutorial, I get what is expected and shown in the first screen shot (LSS_1 rainbow contours HN(CO)CA and blue contour HNCA). However, if I turn the HN(CO)CA back on in the matches window, it can be seen that strips 3,7,9 and 10 should be omitted because they are i-1 peaks in the HNCA not i (LSS_2). The experiments are setup correctly.
Any help/suggestions/dialog would be appreciated.
Thanks,
Mike
Michael Latham
Graduate Student
Department of Chemistry and Biochemistry
University of Colorado, Boulder
Phone: 303-492-8085
Fax: 303-492-2439
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