caa a22 4500 477135897 CHVBK 20180405111717.0 cr unu---uuuuu 170330e19971001xx s 000 0 eng 10.1023/A:1018393225804 doi (NATIONALLICENCE)springer-10.1023/A:1018393225804 Measurement of 15N-1H coupling constants in uniformly 15N-labeled proteins: Application to the photoactive yellow protein [Elektronische Daten] [Petra Düx, Brian Whitehead, Rolf Boelens, Robert Kaptein, Geerten Vuister] A modified HNHB experiment is presented that allows thedetermination of J(NH) coupling constants directly from the ratio ofcross-peak to diagonal-peak intensities. The experiment was applied to thephotoactive yellow protein (PYP) and yielded the magnitude of 1173J(NHβ) coupling constants. In addition, 293J(NHα(i−1)) coupling constantscould be measured, providing information about the backbone angle ψ.These data, in conjunction with the magnitudes of the3J(HNHα) coupling constantsobtained from the HNHA spectrum, effectively discriminate the twopossibilities for the stereospecific assignment of theHα resonances in glycine residues. For all eight glycineresidues in PYP that were not subject to conformational averaging and hadnon-degenerate Hα resonance frequencies, the J-couplingdata, together with limited NOE data, yielded the stereospecific assignmentof the Hα resonances for these residues. In addition,reliable and precise φ,ψ dihedral constraints were also derived forthese residues from the J-coupling data. Kluwer Academic Publishers, 1997 J-couplings nationallicence HNHB nationallicence HNHA nationallicence Quantitative J-correlation nationallicence 3J(NHβ) nationallicence 3J(NHα(i−1)) nationallicence Stereospecific assignment nationallicence Glycine residues nationallicence Photoactive yellow protein nationallicence Düx Petra Department of NMR Spectroscopy, Bijvoet Center for Biomolecular Research, Utrecht University, Padualaan 8, 3584 CH, Utrecht, The Netherlands aut Whitehead Brian Department of NMR Spectroscopy, Bijvoet Center for Biomolecular Research, Utrecht University, Padualaan 8, 3584 CH, Utrecht, The Netherlands aut Boelens Rolf Department of NMR Spectroscopy, Bijvoet Center for Biomolecular Research, Utrecht University, Padualaan 8, 3584 CH, Utrecht, The Netherlands aut Kaptein Robert Department of NMR Spectroscopy, Bijvoet Center for Biomolecular Research, Utrecht University, Padualaan 8, 3584 CH, Utrecht, The Netherlands aut Vuister Geerten Department of NMR Spectroscopy, Bijvoet Center for Biomolecular Research, Utrecht University, Padualaan 8, 3584 CH, Utrecht, The Netherlands aut Journal of Biomolecular NMR Kluwer Academic Publishers 10/3(1997-10-01), 301-306 0925-2738 10:3<301 1997 10 10858 https://doi.org/10.1023/A:1018393225804 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1023/A:1018393225804 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Düx Petra Department of NMR Spectroscopy, Bijvoet Center for Biomolecular Research, Utrecht University, Padualaan 8, 3584 CH, Utrecht, The Netherlands aut NATIONALLICENCE 700 1- Whitehead Brian Department of NMR Spectroscopy, Bijvoet Center for Biomolecular Research, Utrecht University, Padualaan 8, 3584 CH, Utrecht, The Netherlands aut NATIONALLICENCE 700 1- Boelens Rolf Department of NMR Spectroscopy, Bijvoet Center for Biomolecular Research, Utrecht University, Padualaan 8, 3584 CH, Utrecht, The Netherlands aut NATIONALLICENCE 700 1- Kaptein Robert Department of NMR Spectroscopy, Bijvoet Center for Biomolecular Research, Utrecht University, Padualaan 8, 3584 CH, Utrecht, The Netherlands aut NATIONALLICENCE 700 1- Vuister Geerten Department of NMR Spectroscopy, Bijvoet Center for Biomolecular Research, Utrecht University, Padualaan 8, 3584 CH, Utrecht, The Netherlands aut NATIONALLICENCE 773 0- Journal of Biomolecular NMR Kluwer Academic Publishers 10/3(1997-10-01), 301-306 0925-2738 10:3<301 1997 10 10858 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer