program nmrppm
implicit none
integer ::  i
integer, parameter :: np = no_of_points
     integer, dimension(:), allocatable :: ind 
      real, dimension(:), allocatable :: iso, ani, iso_shift
real, parameter :: shift  =  shift_value

      allocate (iso(np), ani(np), ind(np), iso_shift(np))

      open(unit=10, file="input_file", status="old")
      open(unit=11, file="output_file", status="replace")


      do i=1,np
      read(10,*) ind(i), iso(i), ani(i)

      if(shift==0) then
      iso_shift(i) = iso(i)
      else
      iso_shift(i) = shift - iso(i)
      endif

      write (11,90) ind(i),iso_shift(i)
      
      enddo

      90 format (i4,2x,f9.4)





end program nmrppm