CYANA Macro: cashiftaco
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Parameters
- offset=real
- (default: 0.0)
- prooffset=real
- (default: 2.0)
Description
Generates restraints for the backbone torsion angles and in proteins by comparing the Cα chemical shifts with the corresponding random coil values (Spera & Bax, 1991). Angle restraints are derived according to the rules of (Luginbühl et al., 1995). The C random coil shifts are relative to internal TSP. Optionally, an offset is added to the chemical shifts in the proton list. A warning is printed for C chemical shifts that deviate by more than 15 ppm from their random coil value.