Supplementary FIles for Cholesterol Biases the Conformational Landscape of the Chemokine Receptor CCR3: A MAS SSNMR-Filtered Molecular Dynamics Study

This repository contains supplementary files for the initial submission of: Cholesterol Biases the Conformational Landscape of the Chemokine Receptor CCR3: A MAS SSNMR-Filtered Molecular Dynamics Study<br> Evan J. van Aalst, Corey J. McDonald, and Benjamin J. Wylie Files found in this repository include:<br> 1. Raw fids corresponding to the solid-state NMR spectra used in this work.<br> 2. The script, model structures, and predicted chemical shifts used in the COMPASS proof of concept.<br> 3. Input molecular dynamics files derived from CHARMM-GUI including all mdp files, initial model structure files, and the production script.<br> 4. Model structures per ns derived from MD trajectories with corresponding predicted chemical shift lists and associated experimental chemical shift lists.