3J coupling constants related to the chi1-torsions in oxidised Flavodoxin from Desulfovibrio vulgaris (Hildenborough)

[(2R,3S,4S)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate

Journal of the American Chemical Society
Self-consistent Karplus parametrization of 3J couplings depending on the polypeptide side-chain torsion chi1.

An alternative 3D NMR technique for correlating backbone 15N with side chain Hbeta resonances in larger proteins

A 3D triple-resonance NMR technique for qualitative measurement of carbonyl-Hbeta J couplings in isotopically enriched proteins

Measurement of two- and three-bond proton to methyl-carbon J couplings in proteins uniformly enriched with 13C

Multiple-quantum line narrowing for measurement of Ha-Hb J couplings in isotopically enriched proteins

Measurement of three-bond 13C-13C J couplings between carbonyl and carbonyl/carboxyl carbons in isotopically enriched proteins

Heteronuclear relayed E.COSY applied to the determination of accurate 3J(HN,C') and 3J(H beta,C') coupling constants in desulfovibrio vulgaris flavodoxin.

Chi 1 angle information from a simple two-dimensional NMR experiment that identifies trans 3JNC gamma couplings in isotopically enriched proteins.

Determination of phi and chi1 angles in proteins from 13C-13C three-bond J couplings measured by three-dimensional heteronuclear NMR. How planar is the peptide bond?

Pulse schemes for the measurement of 3JC'C gamma and 3JNC gamma scalar couplings in 15N,13C uniformly labeled proteins.

Proceedings of the National Academy of Sciences of the United States of America
Attenuated T2 relaxation by mutual cancellation of dipole-dipole coupling and chemical shift anisotropy indicates an avenue to NMR structures of very large biological macromolecules in solution.

Direct observation of hydrogen bonds in proteins by interresidue 3hJNC scalar couplings

Identification of the hydrogen bonding network in a protein by scalar couplings

Simultaneous measurement of 3JHN,Ha and 3JHa,Hb coupling constants in 13C,15N-labeled proteins

Recording heteronuclear quantitative J-correlation spectra with internal reference peaks

TROSY-based HNCO pulse sequence for the measurement of 1HN-15N, 15N-13CO, 1HN-13CO, 13CO-13Ca and 1HN-13Ca dipolar couplings in 15N, 13C, 2H-labeled proteins

Heteronuclear relayed E.COSY revisited: determination of 3J(H(alpha),C(gamma)) couplings in Asx and aromatic residues in proteins.

Journal of magnetic resonance (San Diego, Calif. : 1997)
Efficient measurement of (3)J(N,Cgamma) and (3)J(C',Cgamma) coupling constants of aromatic residues in (13)C, (15)N-labeled proteins.

There is no methionine present in this protein or protein NMR sample, which can
be confirmed also by the NMR properties of Pro-2. Met-1 is often an artefact and
does not occur in the natural sequence.

The flavodoxin protein chain starts with residue 2 (no Met-1 present), all J coupling indeces refer to the 2-148 sequence numbering

3J coupling constants phi-torsion oxidized flavodoxin

1J coupling constants related to the Ca carbons in oxidized Flavodoxin

2J coupling constants in oxidized Flavodoxin

3J coupling constants related to the psi-torsions in oxidized Flavodoxin

chemical shift assignments reduced flavodoxin

chemical shift assignments oxidized flavodoxin

Couplings to sidechain atom pairs HB2/3 and CG1/2 stereospecifically assigned, etc.

Matlab-based suite of utilities for the display, selection, and simulation of 2D multiplet projections from multi-dimensional NMR spectra

Dept. of Biosciences, University of Kent, Canterbury, Kent CT2 7NJ, United Kingdom