Auto-relaxation and I(0) values

From CYANA Wiki
Revision as of 14:33, 17 January 2019 by Dean (talk | contribs)
Jump to navigation Jump to search

The rho files are used to enter auto-relaxation (rho) and I(0) values into the program CYANA. For each spin there is a line with the following data: residue number, residue name and atom name, rho (in seconds [s]) and the I(0) value; the flag -1.0000 is used for keeping the fitted value.


# 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