Month: October 2018

Interactive graphs of Aliphatic Carbon and Proton Chemical shifts

In order to assist with chemical shift assignments of proteins, here are two plots of aliphatic chemical shifts based on BMRB data as of 10/17/2018.

For assignments of Cα and Cβ present in proteins, we usually run HNCACB and CBCA(CO)NH. Some residues such as Gly, Leu, Ala, Thr, Ser etc can be used as anchor points for starting assignments due to their unique distribution of aliphatic carbon chemical shift as shown below. Once can use this interactive map of chemical shifts below for chemical shift assignment. 

A similar graph has been generated for assignments of aliphatic protons below. HCCH-TOCSY and H(CCCO)NH-TOCSY experiments give rise to chemical shifts of aliphatic protons, where this interactive distribution of chemical shift can be used for assignment purposes.