Table 1. Statistical analysis of NOE-based distance constraints and dihedral angle constrains used in NMR structural calculation.

	PT-free dsDNA	[Rp, Rp]-PT dsDNA	[Sp, Sp]-PT dsDNA
Distance restraints from NOEs
Total NOE	495	475	434
Intra-residue	358	329	311
Inter-residue	137	149	133
Sequential (|i-j| = 1)	101	105	69
Non-sequential (|i-j| > 1)	36	44	43
Hydrogen bonds	79	79	79
Structural statistics Violation (mean and SD)
Distance constrain (Å)	0.046 ± 0.0004	0.044 ± 0.0003	0.031 ± 0.0004
Dihedral angle constrains (°)	1.22 ± 0.01	1.18 ± 0.01	1.30 ± 0.002
Deviations from idealized geometry
Bond lengths (Å)	0.002 ± 0.00002	0.002 ± 0.00003	0.002 ± 0.00004
Bond angles (°)	0.74 ± 0.0004	0.75 ± 0.0007	0.73 ± 0.0001
Impropers (°)	0.28 ± 0.002	0.26 ± 0.001	0.25 ± 0.003
Average pairwise r.m.s.d. (Å)
backbone atoms	0.08 ± 0.003	0.1 ± 0.004	0.16 ± 0.005
All atoms	0.07 ± 0.003	0.09 ± 0.003	0.14 ± 0.004