This popup provides the user with a customisable chemical shift list, which can be directly printed to a text file, or printed as a postscript file ('.ps').

The Charts: Chemical Shifts Table popup.

Chain

Specifies the molecular chain for which chemical shifts are listed.

Shift List

Specifies the chemical shift list for which chemical shifts are listed.

List all shifts

If selected, all chemical shifts are listed in the table. Atoms selected under Column atoms (see below) are always listed in separate columns. All other atoms are grouped in the last column when this option is selected.

1-letter codes

If selected, the residues are listed in 1-letter codes.

1H precision

Specifies the precision with which 1H chemical shifts are listed. Options are:

• • 0.1

  • 0.01

  • 0.001

Other precision

Specifies the precision with which non-1H chemical shifts are listed. Options are:

• • 0.1

  • 0.01

  • 0.001

Column Atoms

This option shows a list of all the atom types as buttons that can be used to toggle the display of chemical shifts of these atoms on or off. Selected atom types are highlighted using their isotope colors.

Export PostScript

Exports the table as a postscript file through the Print canvas to file popup.

Export Text

Exports the table as a plain text file through the Save table as plain text popup.