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. 1999 Jul 6;96(14):8229–8234. doi: 10.1073/pnas.96.14.8229

Table 1.

Experimental constraints and structure statistics

Experimental constraints
 NOE distance constraints 564
 Intraresidue 331
 Sequential 181
 Long and medium range 52
 Hydrogen bonding and planarity constraints 90
 Dihedral constraints 124
 Total experimental constraints 778
 (Average number per nucleotide) 31.1
 Structure analysis*
 Average NOE violations in converged structure (>0.2 Å) 0
 Angle violations in converged structures (>5°) 0
rms deviation from average structure (Å)
 Full structure 3.18 Å ± 0.56
 Double-helical stem (G−1–A5; U12–C17) 0.93 Å ± 0.27
 Bulge loop (C−2–A5; U12–G18) 2.60 Å ± 0.48
 Loop (A5-U12) 2.93 Å ± 0.45
*

Average deviations from ideal covalent geometry are comparable to those in other publications from our laboratory (28). 

Calculated more than 33 converged structures of 50 calculated structures.