Protocol for converting assigned nuclear Overhauser enhancement spectroscopy series peaks into exact distance restraints using MATLAB- or CYANA-eNORA
Year: 2025
Type: article
Abstract: In the exact nuclear Overhauser enhancement (eNOE) method, tight upper and lower interatomic distance restraints for structure calculations and comparison are extracted from NMR nuclear Overhauser enhancement spectroscopy (NOESY) spectra of biomolecules recorded with different mixing times. Here, we present a protocol for exporting the resonance assignments of NOESY spectra from CCPNmr (v.2) into nmrDraw to obtain peak intensities. We then detail procedures for converting them into distances using either the CYANA- or MATLAB-based “exact NOE by relaxation matrix analysis” (eNORA) program. • Steps for peak picking in nmrDraw • Guidance on transferring resonance assignment from CCPNmr to nmrDraw peak list • Tutorial for fitting cross-peak buildups and diagonal decays in NOESY series • Instructions for extracting upper and lower distance limits using eNORA2 or CYANA Publisher’s note: Undertaking any experimental protocol requires adherence to local institutional guidelines for laboratory safety and ethics. In the exact nuclear Overhauser enhancement (eNOE) method, tight upper and lower interatomic distance restraints for structure calculations and comparison are extracted from NMR nuclear Overhauser enhancement spectroscopy (NOESY) spectra of biomolecules recorded with different mixing times. Here, we present a protocol for exporting the resonance assignments of NOESY spectra from CCPNmr (v.2) into nmrDraw to obtain peak intensities. We then detail procedures for converting them into distances using either the CYANA- or MATLAB-based “exact NOE by relaxation matrix analysis” (eNORA) program.
Source: STAR Protocols
Authors: Morkos A. Henen, David McCall, David Jones, Natalie G. Ahn, Beat Vögeli
Language: English
Subfield: Spectroscopy
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $1,550
OpenAlex ID: W4408063313