Hello users
I am a new user of ccpnmr, our group is working on protein/peptide interaction with metal. We wanted to calculate the dissociation constant of a peptide-metal conjugate.
As instructed in the tutorials I have constructed a series of spectra differing in the ligand concentration and I have done assignment for one of the spectrum of the series, hoping that it will propagate to others later. However, in the settings of follow shift change, the reffrence peak list is set to none. I am not being able to select any shift list.
Could this be because the series consists of only 1D spectra. The peptide sequence can be assigned by 1D proton, carbon and some of the 2d spectra such as HSQC, HMBC. Moreover, the chemical shift changes are quite evident in the 1D spectra itself.
Our query is that weather chemical shift changes can be follwed in 1D series of spectra. If not, can you please suggest any other software that may be free for academic users.
Thank you
Rajbinder Kaur Virk
Research scholar
Department of Biophysics
Panjab University, INDIA
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