Subject: NMR shifts for amino acids

From: Govindan Subramanian <[email-masked]>
Date: Thu, 18 Mar 1999 12:35:44 -0600 (CST)

Dear CCL'ers
	I am looking for literature references that has dealt with the comparison of
computed vs experimental proton, carbon shifts for amino-acids and polypeptides.
Pointers to the choice of basis sets, the effects of solvents and the reliability
of the results are also welcome.
I am currently using the GIAO method implemented in Gaussian9x.  
Will summarize if there are sufficient responses.  Thanks
-subramanian.g