NMR Spectroscopy Lab



Dr. C. James McKnight

Jonathan Vural

 Structural NMR Spectroscopy
Chobanian & Avedisian School of Medicine
Department of Pharmacology, Physiology & Biophysics
700 Albany Street–Room W334
Boston MA, 02118



The Program in Biophysics houses a state-of-the-art NMR facility with a high resolution spectrometer operating at 500 (11.7 Tesla). Instruction and maintenance of the instruments is provided by Jonathan Vural.

Our instrument is a Bruker Avance III HD 4-channel system (1H, 13C, 15N, 2H) with a TCI-cryoprobe and a Z- gradient. The instrument runs Bruker’s Topspin (version 3.6.3) software. This instrument is part of the Boston University NMR Core Facility directed by Dr. C. James McKnight.

In addition to the computers associated with the spectrometers, extensive computer facilities are available for off-line NMR processing, peak picking, analysis and structure determination.


For inquiries about usage:
C. James McKnight

For scheduling:
Jonathan Vural

NMR Software Links

NMRFx (formerly NmrView)

NmrPipe (data processing)

Mnova (1 and 2-D display/analysis)

Bruker NMR

MOLMOL (molecular graphics)

CNSsolve (structure calculation)

NMR information server

BioMagResBank (repository of all things NMR)

Pro-check NMR (structure validation software)

Protein Data Base

UCSF Chimera (Molecular Display)

Spectral Database for Organic Compounds

NMR Solvent Data Chart from CIL

NMRDB.org Software to Predict NMR Spectra

Hans Reich’s (University of Wisconsin – Madison) teachings of NMR theory

Introduction to the lectures series “Understanding NMR spectroscopy” by Dr. James Keeler