VIII. Designate Atoms
After a cluster is saved, another window will appear which will request that the peaks for the cluster be designated with atoms, i.e. CAi, or CAi-1. This facilitates easy output to other packages.
Blanks are provided next to the peak number for atom designations to be typed in. As a first approximation the blue button GUESS can be used with hncacb and cbcaconh spectra, the blanks are automatically filled. The user can also click on a blank and then click on one of the white buttons, which are some of the more common designations used in the autoassignment programs. If you are satisfied with the designations be sure to press SAVE then CLOSE. If you are unsure or would like to come back later, just press CLOSE.