- Solvent; field lock used
- Acquisition temperature
- Spectrometer Model
- Probe used Acquisition- and processing parameters
- Analysis software used
e.g. NMR spectra were acquired at 300 K on a Bruker Avance III 600 MHz spectrometer equipped with a TCI-H/C/N triple resonance cryoprobe. The sample was dissolved in H2O, supplemented with 5% Vol. D2O as field lock. 1D spectra were acquired with 32'000 data points using 64 accumulated scans, and processed with an exponential line broadening window function. Solvent suppression was achieved by the WATERGATE sequence (ref.). Acquired data was processed and analyzed using MestReNova software.
For 2D - 4D spectra e.g. 3D 15N-1H-HSQC-TOCSY spectra were acquired using 8 accumulated scans with 2048 data points in the F3 dimension, 256 data points in the F2 dimension using phase sensitive echo-antiecho TPPI gradient selection, and 128 data points in the F1 dimension using States-TPPI quadraturdetection. The homonuclear Hartman-Hahn transfer was achieved using DIPSI2 sequence (ref.) with a mixing time of 80 ms at 10 kHz spinlock field strength. The spectra were processed with 4096 data points in the F3 dimension, 512 data points in the F2 dimension using a square sine bell window function with a sine bell shift of 4 and 3 for the F3 and F2 dimension, respectively.