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Updated: Jun 8, 2026

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
Published on: December 16, 2013
An efficient strategy for assignment of cross-peaks in 3D heteronuclear NOESY experiments
T Diercks1, M Coles, H Kessler
1Institut für Organische Chemie und Biochemie, Technische Universität München, Lichtenbergstraße 4.
Abstract:
The question is addressed of how maximal structural NOE data on double labelled proteins can be acquired with a minimal set of NOESY experiments. Two 3D-NOESY spectra are reported which, in concert with other commonly used spectra, provide a convenient strategy for NOE assignment. The 3D CNH-NOESY and 3D NCH-NOESY provide NOE connectivities between amide protons and carbon-bound protons and constitute orthogonal heteronuclear filters which eliminate diagonal signals, considerably improving spectral quality. Two different heteronuclear chemical shift dimensions are recorded in the spectra, thus exploiting the extra dispersion of the heteronucleus and considerably simplifying assignment.
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