Hi,

Im trying to use the phi-psi prediction with Talos, tl command.

For some projects files it works fine but not for others. The output files is generated but no chemical shift inside, just the first lines

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REMARK NMRFAM-SPARKY generated TALOS input file

DATA FIRST_RESID 1

DATA SEQUENCE xxxxxxxxxx yyyyyyyyyy

VARS RESID RESNAME ATOMNAME SHIFT
FORMAT %4d %1s %4s %8.3f

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The reason is not clear to me...

Does the data come from the .proj project file?

Thanks

Marco