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The RMS value determined after superimposition of cruzain backbone in cruzain-1 crystal structure with the backbone of the minimized structure of 3 bound to cruzain was 0.817.
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The nuclear Overhauser data for 7 (cis) were determined to be as shown below: (Equation Presented)
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The nuclear Overhauser data for 8 were determined to be as shown below: (Equation Presented)
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