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The complex of the immunosuppressant FK506 bound to FKBP-12 has been studied in solution using 1 H and inverse-detected 13 C NMR methods. The resonances of bound, 13 C-labelled FK506 were assigned and a set of 66 intraligand NOE distance restraints were used to calculate the structure of the bound ligand by distance geometry and restrained molecular dynamics methods...
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