Fig 4. Dynamics of bound CBAP.

(A) 35° tilted adiabatic off-resonance ¹H-¹H ROESY of bound CBAP using U-[²D,¹²C,¹⁴N] BlaR^S. Spectra was recorded at 18.8 T and T(nom) = 293.8 K using a 20 ms spin lock (ν = ω₁/2π = 7,000 Hz). (B) ¹H-¹H NOESY spectrum of bound CBAP. (C) Stick diagram of bound CBAP (PDB 3Q7Z); dotted lines indicate proton-proton distances less than 3.5 Å consistent with NOEs. The asterisk is the 6’ proton of the carboxyphenyl. Numbers ‘1’ and ‘2’ are the thiozolidine methyl protons; the ‘3’ indicates the methine proton. The same asterisk and numbers are in the ROESY (A) and NOESY (B) spectra, indicating the corresponding resonances. In both (A) and (B), blue and red shaded lines highlight the two states corresponding to the 6’ proton of the carboxyphenyl (asterisk). The dashed lines indicate the second aromatic proton in slow exchange. In (B), the vertical dotted lines highlight the two states for the thiozolidine methyl (‘1’ and ‘2’) and methine (‘3’) resonances.