Determination of Solid-State NMR Structures of Proteins by Means of Three-Dimensional15N−13C−13C Dipolar Correlation Spectroscopy and Chemical Shift Analysis†

Biochemistry ◽  
2003 ◽  
Vol 42 (39) ◽  
pp. 11476-11483 ◽  
Author(s):  
Federica Castellani ◽  
Barth-Jan van Rossum ◽  
Annette Diehl ◽  
Kristina Rehbein ◽  
Hartmut Oschkinat
Keyword(s):  
Solid State ◽  
Chemical Shift ◽  
Solid State Nmr ◽  
Correlation Spectroscopy ◽  
Nmr Structures ◽  
Shift Analysis ◽  
Chemical Shift Analysis ◽  
Nmr Structures Of Proteins

Structure of an elastin-mimetic polypeptide by solid-state NMR chemical shift analysis

Biopolymers ◽  
2003 ◽  
Vol 70 (2) ◽  
pp. 158-168 ◽  
Author(s):  
M. Hong ◽  
D. Isailovic ◽  
R.A. McMillan ◽  
V.P. Conticello
Keyword(s):  
Solid State ◽  
Chemical Shift ◽  
Solid State Nmr ◽  
Nmr Chemical Shift ◽  
Shift Analysis ◽  
Chemical Shift Analysis

Determination of the 15 N chemical shift anisotropy in natural abundance samples by proton-detected 3D solid-state NMR under ultrafast MAS of 70 kHz

2019 ◽  
Vol 57 (6) ◽  
pp. 294-303 ◽  
Author(s):  
Federica Rossi ◽  
Nghia Tuan Duong ◽  
Manoj Kumar Pandey ◽  
Michele R. Chierotti ◽  
Roberto Gobetto ◽  
...  
Keyword(s):  
Solid State ◽  
Chemical Shift ◽  
Solid State Nmr ◽  
Chemical Shift Anisotropy ◽  
Natural Abundance ◽  
3D Solid

Cobalt-59 chemical shift and quadrupolar tensors of simple octahedral cobalt(III) complexes

2001 ◽  
Vol 79 (3) ◽  
pp. 296-303
Author(s):  
Christopher W Kirby ◽  
William P Power
Keyword(s):  
Solid State ◽  
Chemical Shift ◽  
Principal Components ◽  
Solid State Nmr ◽  
Nmr Spectra ◽  
Line Shapes ◽  
Quadrupolar Coupling ◽  
Molecular Frame ◽  
Specific Ligand

Analysis of the solid-state powder 59Co NMR spectra of ten simple inorganic cobalt(III) complexes at 11.75, and in most cases, 4.7 T have permitted the assignment of specific ligand planes to ranges of values of the observed chemical shift principal components. The relevant chemical shift components were determined from the simulations of the powder line shapes. These simulations also provided the relative orientations of the chemical shift (CS) and electric field gradient (efg) tensors, as well as magnitude and asymmetry of the 59Co quadrupolar coupling. Using symmetry arguments and ab initio calculations, as appropriate or necessary, the orientations of the efg tensors in the molecular frame were deduced. This allowed the determination of the CS tensors in the molecular frame and thus assignment of the ligand planes responsible for the observed values of chemical shifts.Key words: cobalt, chemical shift, quadrupolar coupling, solid state NMR.

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