From Raw Data to Protein Backbone Chemical Shifts Using NMRFx Processing and NMRViewJ Analysis
Assignment of the chemical shifts of the backbone atoms (HN, N, CA, CB, and C) of proteins is often a prerequisite to using NMR information in the study of proteins. These chemical shifts and their perturbations are the basis for the analysis of protein dynamics, ligand binding, and backbone conformation. They are generally assigned prior to full side-chain assignments and the determination of the complete three-dimensional molecular structure. This chapter describes the use of two software packages, NMRFx Processor and NMRViewJ, in going from raw NMR data to backbone assignments. The step-by-step procedure describes processing of the data and the use of manual and automated features of the RunAbout tool in NMRViewJ to perform the assignments.
Key wordsNuclear magnetic resonance (NMR) Chemical shifts Backbone assignments NMRViewJ NMRFx Processor
This work was supported in part by a grant from the National Institute of General Medical Sciences of the National Institutes of Health (P50 GM 103297 to B.A.J.). The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health.
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