eNOE determination from buildup series and multi-state structure calculation
----------------------------------------------------------------------------

26.02.2019

This directory contains an eNOE calculation (CALC_enoe.cya):

Input data comprises the assigned and fitted peak list processed in 
nmrDraw/pipe and a pdb file used for spin-diffusion calculations.

Following the eNOE calculation a multi-state structure calculation may 
be executed (CALC_multistate.cya): Input data comprises the enoe.lol 
and upl files, scalar couplings and angular information derived from 
chemical shift.
