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. Author manuscript; available in PMC: 2022 Aug 1.
Published in final edited form as: Appl Magn Reson. 2020 Oct 28;52(8):971–994. doi: 10.1007/s00723-020-01288-w

Table 2:

1H Hyperfine Coupling Parameters for TauD species

Sample Proton Aiso (MHz) (±0.2 MHz)* T (MHz) (± 0.2 MHz)* AFrame – z AFrame – y’ (± 4°)*
TauD[taur., 2-OG]NO His-255 – H1 0.2 2.7 9° −29°
His-255 – H2 0.2 3.2 9° 63°
His-99 – H3 0.2 2.6 −50° 90°
His-99 – H4 0.2 2.6 50° −90°
Taurine – C1-H5 0 −1.3 0° 26°
 
TauD[taur.]NO His-255 – H1 0.2 1.6 0° −57°
His-255 – H2 0.2 2.6 0° 38°
His-99 – H3 0.2 1.3 90° −57°
His-99 – H4 0.2 2.6 90° −34°
Taurine – C1 – H5 0 2.6 40° −43°
W1 – 1 0 4.5 −3° 68°
W1 – 2 0 5.3 −18° 103°
W2 – 1 0 4.7 −106° 74°
W2 – 2 0 5.5 −97° 110°
*

Error estimates were derived from overlays of experimental and simulated contour plots.