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Table 1 Structural statistics of NMR structures of jasmintide jS3

From: Molecular diversity and function of jasmintides from Jasminum sambac

Number of NOE constraints  
All 503
Intra residues |i-j| = 0 139
Sequential, |i-j| = 1 141
Medium-range, 1 < |i-j| < 5 48
Long-range, |i-j| > =5 175
Number of hydrogen bond constraints 14
Number of dihedral angle constraints 23
Number of constraint violations (> 0.5 Å) 0
Number of angle violations (> 5°) 0
Energies (kcal/mol)
ENOE 0.74 ± 0.33
Ecdih 0.02 ± 0.01
Ebond + Eangle + Eimproper 18.53 ± 0.78
EVDW 7.27 ± 1.20
RMS Deviation of the structural segment(Cys3-Ser28) for final 20 structures to REM structure
Backbone(N,Cα,C′) 0.29 ± 0.06 Å
Heavy atoms 1.00 ± 0.11 Å