  This report covers the development of a new, fast method for calculating the
backbone amide proton chemical shifts in proteins. Through quantum chemical
calculations, structure-based forudsiglese the chemical shift for amidprotonen
in protein has been parameterized. The parameters are then implemented in a
computer program called Padawan. The program has since been implemented in
protein folding program Phaistos, wherein the method andvendes to de novo
folding of the protein structures and to refine the existing protein
structures.
