The Conformation and Assignment of the Proton NMR Spectrum in Water of DX600, a Bioactive Peptide with a Random Coil Conformation

Table 2

Connectivities establishing the sequential assignment of DX600.

AA

G

D

Y

S

H

C

S

P

L

R

Y

Y

P

W

W

K

C

T

Y

P

D

P

E

G

G

G

𝑑𝛼N

X

X

X

X

X

X

X

X

X

X

X

𝑑NN

X

X

X

X

X

X

𝑑𝛽N

X

X

X

X

𝑑𝛼𝛼

X

𝑑𝛼𝛽

X

X

Observed rOe/nOe connectivities following the nomenclature of Wüthrich [13]: 𝑑_𝛼N=𝑑(𝛼H_𝑖,NH_𝑖+1), 𝑑_NN=𝑑(NH_𝑖,NH_𝑖+1), 𝑑_𝛽N=𝑑(𝛽H_𝑖,NH_𝑖+1), 𝑑_𝛼𝛼=𝑑(𝛼H_𝑖,𝛼H_𝑖+1), 𝑑_𝛼𝛽=𝑑(𝛼H_𝑖,𝛽H_𝑖,𝑖+1).