Auto-relaxation and I(0) values

The upper and lower distance limit files are used to enter distance constraints into the program CYANA. For each distance constraint there is a line with the following data: residue number, residue name and atom name of the first and second atom, respectively, the distance limit in Å, and, optionally, the relative weight of the constraint. The default relative weight is 1. Relative weights should be positive. The weight of a constraint in the target function equals the relative weight times the weight ing factor for the corresponding type of constraints.

# Specifying both auto-relaxation (rho) and I(0)
# Assignment, auto-relaxation, I(0)
5    SER  HA       3.7067              752840293.0085
6    LYS  HD2      3.5576             1260683444.4590
6    LYS  QE       2.6034             2487355750.6458
7    LEU  H        5.0151              438936421.8380
7    LEU  HA       6.2201              224628629.6022
7    LEU  HB2      8.2344              164972110.8104

# Specifying rho only
# Assignment, auto-relaxation, I(0))
5    SER  HA       3.7067              -1.0000
6    LYS  HD2      3.5576              -1.0000
6    LYS  QE       2.6034             -1.0000
7    LEU  H        5.0151              -1.0000
7    LEU  HA       6.2201              -1.0000
7    LEU  HB2      8.2344              -1.0000

# Specifying I(0) only
# Assignment, auto-relaxation, I(0)
5    SER  HA       -1.0000              752840293.0085
6    LYS  HD2      -1.0000             1260683444.4590
6    LYS  QE       -1.0000             2487355750.6458
7    LEU  H        -1.0000              438936421.8380
7    LEU  HA       -1.0000              224628629.6022
7    LEU  HB2      -1.0000              164972110.8104