Supplementary Data for Heterophyllin B: Combining Isotropic and Anisotropic NMR for the Conformational Analysis of a Natural Occuring Cyclic Peptide

Additional data for the research paper titled: "Heterophyllin B: Combining Isotropic and Anisotropic NMR for the Conformational Analysis of a Natural Occuring Cyclic Peptide" Output data from Computational Methods: CREST input and output files for all possible proline cis/trans isomers starting strucutres. CENSO output file for the cis-trans-trans proline isomer. ORCA output files for GIAO-DFT calculation of CENSO determined ensemble (13 conformers). NMR raw spectra from TopSpin. Spectra used for the assignment Spectra useed for temperature coefficents Spectra used for RDC/RCSA measurement.