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The 3D structure of 6-deoxy-6-l-tyrosinylamidocyclomaltoheptaose, a self-complexing β-cyclodextrin derivative, was determined by NMR and molecular modelling. The aminoacyl side-chain is included in the cavity and induces chemical-shift variations in the CD proton signals, allowing their complete assignment. Dipolar interactions between protons of the tyrosine ring and internal protons of the cyclodextrin...
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