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. Author manuscript; available in PMC: 2019 May 10.
Published in final edited form as: Eur J Med Chem. 2018 Apr 11;151:815–823. doi: 10.1016/j.ejmech.2018.04.021

Table 4.

Summary of NMR structural statistics.

Total distance restraints from NOEs 70
intraresidue 19
interresidue |i-j| = 1 43
interresidue |i-j| 1 8
NOE violations
number of violations >0.2 Å 1.2 ± 0.7
RMSD of violations() 0.176 ± 0.006
Deviations from idealized geometry bond length (Å) 0.008 ± 0.001
bond angle (degree) 0.70 ± 0.07
Improper dihedral angle (degree) 0.52 ± 0.16
Averaged pairwise RMSD (Å) (heavy atoms) 1.36 ± 1.54