Backbone 13C and 15N Chemical Shift Assignments for fibrillar Amyloid Beta (1-42)

Insights into the baicalein-induced destabilization of LS-shaped Aβ42 protofibrils using computer simulations

“…39 The chemical shifts of Ab 42 protofibrils from the biological magnetic resonance data bank were compared with the values obtained from the simulation. 7,40 The three bond J-coupling ( 3 J NH-Ha ) constants between the amide proton and the Ha atom were evaluated as previously described 41 and compared with experimental 3 J NH-Ha values.…”

Mechanistic insights into the mitigation of Aβ aggregation and protofibril destabilization by ad-enantiomeric decapeptide rk10

“…Further, these values were compared with experimental chemical shifts of Ab 42 monomer reported by Hou et al 46 and Ab 42 protofibril taken from Biological Magnetic Resonance Data Bank (https://bmrb.io/data_library/summary/ ?bmrbId=27212, 5OQV's BMRB Entry = 27212). 47 The J-coupling ( 3 J NH-Ha ) constants between Ha proton of amino acid and amide proton in peptide were evaluated as described previously 48 and compared with the experimental 3 J NH-Ha data.…”