init
read seq protein.seq
read prot ../../xeasy/simnoe/noe0601.prot
update atom shift N -54.742 0.442857143
update atom shift N 118.21 1.000000000
update atom shift ND2 -54.742 0.442857143
update atom shift ND2 118.21 1.000000000
#update atom shift NE  -54.742 0.442857143
#update atom shift NE  118.21 1.000000000
update atom shift NE2 -54.742 0.442857143
update atom shift NE2 118.21 1.000000000

write prot protein0601.prot
# change the atom list file name 
read prot protein0601.prot
read peaks ../../xeasy/simnoe/simnoe0601.peaks
update peak shift N -54.742 0.442857143
update peak shift N 118.21 1.000000000
#update peak shift "NE " -31 1.0
write peak simnoeunfold.peaks

read peaks simnoeunfold.peaks
split simnoeunfold.peaks Nnoe.peaks Cnoe.peaks