Table 2. Statistics for NMR data and structure calculation.

Experimental constraints
Assigned NOE peaks	433
Dihedral angles obtained from J-couplings	46
Input for CYANA structure calculation
NOE upper distance limits	254
Dihedral angle constraints	92
Constrained hydrogen bonds	22
Stereospecific assignments
H2′/H2″ and H5′/H5″	All
Residual CYANA target function	0.40 ± 0.01 Å2
Average maximal violations of
Upper distance limits	0.22 ± 0.01 Å
van der Waals distances	0.07 ± 0.00 Å
Dihedral angles	1.7 ± 0.2°
RMSD for calculated structures relative to mean coordinates
All heavy atoms in base pairs 3–10	0.45 ± 0.17 Å
All heavy atoms	0.67 ± 0.16 Å
RMSD for mean calculated structure to ideal B-DNA model
All heavy atoms in base pairs 3–10	2.62 Å
All heavy atoms in base pairs 3–10 of one strand	1.37 Å, 1.41 Å
Heavy atoms of the bases in base pairs 3–10	1.81 Å
Heavy atoms of the bases in base pairs 3–10 of one strand	1.24, 1.26 Å