Auto-relaxation and I(0) values: Difference between revisions
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When there are only experimentally fitted values listed: | |||
# Specifying both auto-relaxation (rho) and I(0) | # Specifying both auto-relaxation (rho) and I(0) | ||
# Assignment, auto-relaxation, I(0),class | # Assignment, auto-relaxation, I(0),class | ||
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7 LEU HB2 8.2344 164972110.8104 1 | 7 LEU HB2 8.2344 164972110.8104 1 | ||
When there are rho values calculated from mean experimental values per spin-type: | |||
# Specifying rho only | # Specifying rho only | ||
# Assignment, auto-relaxation, I(0)),class | # Assignment, auto-relaxation, I(0)),class | ||
Revision as of 16:11, 23 May 2019
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The rho files are used to enter auto-relaxation (rho) and back-predicted diagonal intensities, 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.
When there are only experimentally fitted values listed:
# Specifying both auto-relaxation (rho) and I(0) # Assignment, auto-relaxation, I(0),class 5 SER HA 3.7067 752840293.0085 1 6 LYS HD2 3.5576 1260683444.4590 1 6 LYS QE 2.6034 2487355750.6458 1 7 LEU H 5.0151 438936421.8380 1 7 LEU HA 6.2201 224628629.6022 1 7 LEU HB2 8.2344 164972110.8104 1
When there are rho values calculated from mean experimental values per spin-type:
# Specifying rho only # Assignment, auto-relaxation, I(0)),class 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),class 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