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Table 1 Constraints and structural statistics for the resulting 25 NMR structures of Lck(1–120)

From: Structure determination of human Lck unique and SH3 domains by nuclear magnetic resonance spectroscopy

Number of experimental restraints:
   total number of assigned NOEs 1817
   intraresidual (|i-j| = 0) 635
   interresidue sequential (|i-j| = 1) 357
   interresidue medium range (1 < |i-j| 5) 215
   long range (|i-j| > 5) 610
X-PLOR energies (kcal/mol)
   total 234.7 ± 1.13
   bond 17.34 ± 0.27
   angle 88.15 ± 0.79
   impropers 10.91 ± 0.53
   Van-der-Waals 56.01 ± 0.92
   NOE 62.26 ± 0.88
   RMS deviations to the mean structure (Å)  
   backbone heavy atoms 0.16 ± 0.04
   all heavy atoms 0.67 ± 0.09
RMS deviations to experimental constraints and idealized geometry
   NOE (Å) 0.0212 ± 0.0001
   bond (Å) 0.0031 ± 0
   angle (Å) 0.4183 ± 0.0019
   impropers (°) 0.2721 ± 0.0066
Φ, Ψ angles consistent with Ramachandran plot (%)
   most favored regions 70.9
   allowed regions 100
   generously allowed regions 100