init
read seq pa2021_noe.seq
read prot pa2021_noea205.prot 
# change the atom list file name 


#convert N15 chemical shifts to the correspding chemcial shift in C13 NOESY part using:
#	(Nppm - N_carrier)/N_spectral_width = (Cppm - C_carrier)/C_spectral_width
update atom shift N -118.116 0.8705
#please modify the last two numbers as negative of N15_carrier, and the ratio between C and N spectral width
update atom shift N 35.691 1
#please modify the second last number according C13_carrier 

simulate 3D N NOESY  -1 1
simulate 3D N NOESY   0 2
simulate 3D N HN   1 3


simulate 3D C NOESY  0 5
simulate 3D C HN  1 6

write peaks pa2021_simNoesy.peaks
