Ontology highlight
ABSTRACT:
SUBMITTER: Fritz M
PROVIDER: S-EPMC5892194 | biostudies-literature | 2018 Apr
REPOSITORIES: biostudies-literature
Fritz Matthew M Quinn Caitlin M CM Wang Mingzhang M Hou Guangjin G Lu Xingyu X Koharudin Leonardus M I LMI Struppe Jochem J Case David A DA Polenova Tatyana T Gronenborn Angela M AM
Physical chemistry chemical physics : PCCP 20180401 14
Chemical shifts are highly sensitive probes of local conformation and overall structure. Both isotropic shifts and chemical shift tensors are readily accessible from NMR experiments but their quantum mechanical calculations remain challenging. In this work, we report and compare accurately measured and calculated 15NH and 13Cα chemical shift tensors in proteins, using the microcrystalline agglutinin from Oscillatoria agardhii (OAA). Experimental 13Cα and 15NH chemical tensors were obtained by so ...[more]