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35
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See Supporting Information for additional NMR spectra.
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This secondary carbon is clearly distinguished by its phase.
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32744476780
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This spectrum also unequivocally cements the assignment of the pseudosymmetrical 2-DOS ring.
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39
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32744455876
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a and 2′-C was not observed. As with H-H coupling, the value of this 3-bond coupling constant is dependent on the dihedral angle. The absence of cross-peaks is not uncommon and can be understood as the distortion of compounds 2a and 2b from a common conformation.
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The 3′ extended version of the A-site oligonucleotide. 5′-GGCGUCACACCUUCGGGUGAAGUCGCCGGUUGGCGUGGCUCGCG-3′. facilitales detection of DMS reactivity by primer extension via a 17-nucleotide DNA primer complimentary to the 3′-extension.
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32744475242
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Initial refinement of cocrystal diffraction data (T. Hermann, unpublished data) shows that 2a binds within the A-site essentially the same as the parent 1a. Thus, addition of the conformational restraint does not change the binding mode or grossly alter the ligand-RNA interaction.
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32744474900
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The half-maximal footprint of Ribonuclease A also corresponds well with the measured dissociation constants. See Supporting Information Figure S.19.
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The NTMR solution structure also reveals significant mobility for this residue. See ref 12.
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