caa a22 4500 477136583 CHVBK 20180405111720.0 cr unu---uuuuu 170330e19970601xx s 000 0 eng 10.1023/A:1018394410613 doi (NATIONALLICENCE)springer-10.1023/A:1018394410613 The effect of ring currents on carbon chemical shifts in cytochromes [Elektronische Daten] [Laurence Blanchard, C. Hunter, Michael Williamson] Calculations suggest that some carbon chemical shifts in proteinsshould have large ring current shifts (>1 ppm). We present13C, 15N and 1H assignments forcytochrome c2 from Rhodospirillum rubrum, compare these withshifts for other cytochromes c, and show that the calculated ring currentshifts are similar to experimentally observed shifts, but that there remainsubstantial conformation-dependent shifts of side-chain carbons. Ringcurrent shifts as large as 6 ppm are observed. We show that the ring currenteffects do not seriously affect the Chemical Shift Index method fordelineating secondary structure, but may have an impact on more precisemethods for generating structural constraints. Kluwer Academic Publishers, 1997 Carbon chemical shifts nationallicence Cytochrome c nationallicence Secondary structure nationallicence Heme ring current effect nationallicence Blanchard Laurence Krebs Institute, Department of Molecular Biology and Biotechnology, University of Sheffield, Firth Court, Western Bank, S10 2TN, Sheffield, U.K aut Hunter C. Krebs Institute, Department of Molecular Biology and Biotechnology, University of Sheffield, Firth Court, Western Bank, S10 2TN, Sheffield, U.K aut Williamson Michael Krebs Institute, Department of Molecular Biology and Biotechnology, University of Sheffield, Firth Court, Western Bank, S10 2TN, Sheffield, U.K aut Journal of Biomolecular NMR Kluwer Academic Publishers 9/4(1997-06-01), 389-395 0925-2738 9:4<389 1997 9 10858 https://doi.org/10.1023/A:1018394410613 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1023/A:1018394410613 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Blanchard Laurence Krebs Institute, Department of Molecular Biology and Biotechnology, University of Sheffield, Firth Court, Western Bank, S10 2TN, Sheffield, U.K aut NATIONALLICENCE 700 1- Hunter C. Krebs Institute, Department of Molecular Biology and Biotechnology, University of Sheffield, Firth Court, Western Bank, S10 2TN, Sheffield, U.K aut NATIONALLICENCE 700 1- Williamson Michael Krebs Institute, Department of Molecular Biology and Biotechnology, University of Sheffield, Firth Court, Western Bank, S10 2TN, Sheffield, U.K aut NATIONALLICENCE 773 0- Journal of Biomolecular NMR Kluwer Academic Publishers 9/4(1997-06-01), 389-395 0925-2738 9:4<389 1997 9 10858 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer