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. 2022 Jan 13;122(10):9468–9496. doi: 10.1021/acs.chemrev.1c00871

Figure 13.

Figure 13

Presence of a paramagnetic center in a molecule affects its NMR spectrum (blue dots) with respect to the one of a diamagnetic analogue (green dots). The change in relaxation rates, in chemical shifts and signals splitting provide restraints called paramagnetic relaxation enhancement (PRE), preudocontact shift (PCS), or contact shift (CS) and paramagnetism-induced residual dipolar coupling (RDC), respectively. Paramagnetic effects on nuclear relaxation and chemical shifts are generally smaller for 13C with respect to 1H, and protonless NMR allows to measure observables closer to the paramagnetic center with respect to proton NMR. The approach can be applied for structural purposes to establish the reciprocal orientation of two interacting partners or to establish long-range crosstalk within a protein.