# Structure calculation with RDC data and automated NOE assignment

peaks       := nnoeabs,cnoeabs,aliabs        
prot        := noec_sw,noec_sw,d2oc_sw             
tolerance   := 0.030, 0.020, 0.6
restraints := talos2.aco,hr43.rdc
calibration_constant :=6.64E+06,8.58E+06,6.41E+06
structures  := 100,20             # number of initial, final structures
steps       := 15000              # number of torsion angle dynamics steps
seed         = 274705             # random number generator seed
upl_values :=2.5,7.0
weight_rdc   = 0.02               # weight for RDC restraints
cut_rdc      = 0.2                # cutoff for RDC violation output
protocol := cyanalog
noeassign peaks=$peaks prot=$prot autoaco