Avance 3 850 wb spectrometer

All 1D ¹H and ¹³C NMR spectra recorded were obtained using a 4 mm MAS rotor on a Bruker Avance III 850 WB spectrometer equipped with a Bruker 4 mm MAS HCN probe. The temperature was set to 27 °C and 10 kHz MAS was used. One pulse proton spectra were recorded using a 3 μs 1H 90° pulse. ¹³C-CPMAS spectra were obtained with a 3 μs 1H 90° pulse, a 5 ms CP step using 80%–100% ramp and 67 kHz SPINAL64 1H decoupling during the acquisition time of 40 ms [33 (link)]. Chemical shifts were referenced indirectly via the downfield signal at 40.49 ppm of adamantane to DSS.

2D ¹H-¹H NOESY experiments were recorded using a 3.2 mm MAS rotor on a Bruker Avance III 850 WB spectrometer equipped with a Bruker 3.2 mm MAS HCN probe. The temperature was set to 37 °C and 23 kHz MAS was used. The 1H 90° pulse was set to 2.5 μs; the best mixing times are reported in figure captions. The experiment with protonated DMPC was recorded using 8 scans and acquisition times in the direct and indirect dimension of 200 ms and 10 ms, respectively. The number of increments in the direct dimension was 464. For deuterated DMPC 16 scans and acquisition times in the direct and indirect dimension of 200 ms and 11 ms, respectively, were used. The number of increments in the direct dimension was 512. The 2D data were recorded using the TPPI method and Fourier transformed using Gaussian Line Broading and 8192 data points in the direct dimensions and a QSINE window function and 4096 data points in the indirect dimensions.