BEGIN{} { if ($2 =="2" ) { print "# Orientation Magnitude Rhombicity ORI residue number" print " 1 -12.87 0.278 153" print "# First atom Second atom RDC Error Weight Orientation" } if ($2 > 1) { $5=4 $6=1.000 $8=1 printf "%6s %3s %2s %9s %3s %2s %13.3f %7.3f %7.3f %2s\n", $2, $1, "H", $2, $1, "N", $7, $5, $6, $8 } } END{}