Table 2.

Residue-specific φ and ψ backbone torsion angles (degrees) for Aβ_1–40 fibrils, predicted from ¹³C and ¹⁵N chemical shifts in Table 1 or determined from measurements on the doubly ¹³C-labeled DLn samples

Residue	φ, ψ from chemical shift set 1	φ, ψ from chemical shift set 2	φ, ψ from DLn samples
G9	−148 ± 11, 151 ± 15	−148 ± 11, 151 ± 15
Y10	−127 ± 9, 124 ± 9	−127 ± 9, 124 ± 9
V12	−119 ± 8, 124 ± 10	−119 ± 8, 124 ± 10
K16	−149 ± 12, 152 ± 8	−149 ± 12, 152 ± 8
L17	−150 ± 12, 143 ± 9	−150 ± 12, 143 ± 9
V18	−145 ± 9, 147 ± 11	−145 ± 8, 146 ± 12
F19	−144 ± 10, 141 ± 12	−144 ± 10, 139 ± 15
F20	−147 ± 9, 151 ± 11	−145 ± 11, 152 ± 13
A21	−137 ± 12, 143 ± 16	−127 ± 11, 141 ± 19
D23	−145 ± 16, 147 ± 16	−83 ± 13, 122 ± 22
V24	−103 ± 10, 117 ± 11	−100 ± 12, 114 ± 22	−145, 115
G25	−88 ± 30, 124 ± 33	−58 ± 48, 11 ± 74	−70, −40
S26			68, −65
K28	−134 ± 12, 152 ± 14	−151 ± 14, 156 ± 13
G29	−59 ± 50, 119 ± 58	−150 ± 18, 156 ± 14	−120, −125
A30	−138 ± 14, 157 ± 14	−144 ± 12, 145 ± 13	−165, 133
I31	−113 ± 16, 127 ± 12	−118 ± 15, 129 ± 11
I32	−123 ± 10, 146 ± 14	−127 ± 9, 147 ± 12
L34	−143 ± 9, 145 ± 17	−144 ± 8, 145 ± 16
M35	−141 ± 9, 138 ± 11	−141 ± 9, 138 ± 11
V36	−118 ± 8, 120 ± 11	−118 ± 8, 120 ± 11

^*First chemical shift value for each labeled site in Table 1.

^† Second chemical shift value for each labeled site in Table 1, where more than one value is observed.