peaks := n15no,c13no,c13ar,fc12no # names of NOESY peak lists prot := znf42 # names of chemical shift lists constraints := znf42.aco # additional (non-NOE) constraints tolerance := 0.030,0.030,0.3 0 # chemical shift tolerances calibration := # NOE calibration parameters structures := 100,20 # number of initial, final structures steps := 10000 # number of torsion angle dynamics steps rmsdrange := 40..122 # residue range for RMSD calculation randomseed := 434726 # random number generator seed nproc=4 subroutine KEEP peaks select "*,* levels=175..400" end noeassign peaks=$peaks prot=$prot \ keep=KEEP