SUPPLEMENTARY MATERIAL Table S1- H and P

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0.51 -62 0.42 -110 0.58 145 0.97 -95 0.76 154 0.55 -89 0.86 C2'- endo. 6A -157 0.47 -177 0.75 62. 0.99 150 1.00 179 ... 12T -77 0.99 158 1.00 52. 1.00 152 1.00 ...
SUPPLEMENTARY MATERIAL

Table S1- 1H and 31P NMR assignments for the dimeric form of d (100mM NaCl, T=5ºC, phosphate buffer, pH=7)

NH

NH2(1) NH2(2) H6/H8 H2/H5/Me

H1’

H2’

H2”

H3’

H4’

H5’/H5”

31P

C1

-

7.30

6.77

7.98

6.11

6.49

2.26

2.58

4.57

4.65

4.01

4.05

-4.21

G2

13.33

8.98

6.47

8.16

-

6.20

2.83

2.96

5.04

4.65

4.07

4.23

-4.09

C3

-

8.67

6.83

7.65

5.60

6.48

2.53

2.41

5.11

4.54

4.30

4.37

-3.93

T4

10.76

-

-

7.09

1.73

5.84

1.84

2.37

4.60

3.36

3.36

3.72

-3.97

C5

-

7.30

6.77

7.96

6.11

6.50

2.35

2.59

4.63

4.63

4.12

4.18

-4.18

A6

-

8.02

6.93

8.65

8.53

6.50

2.92

3.18

5.11

4.69

4.12

4.30

-4.06

T7

14.10

-

-

7.53

1.59

6.52

2.53

2.44

5.14

4.61

T8

10.87

-

-

7.47

1.86

5.95

1.93

2.42

4.61

3.22

4.38 3.51

3.69

-4.01 -3.75

Table S2- Mean values and order parameters of the dihedral torsion angles of the dimeric form of d. α

1C 2G 3C 4T 5C 6A 7T 8T 9C 10G 11C 12T 13C 14A 15T 16T

Mean

115 -9 -94 -73 53 -157 -70 -139 89 -17 -96 -77 -130 -86 -83 -140

β Order par.

Mean

0.50 0.69 0.99 1.00 0.51 0.47 1.00 0.76 0.23 0.27 1.00 0.99 0.40 0.28 0.93 0.76

-158 158 -176 161 -62 -177 -174 -148 158 163 -173 158 145 177 -167 -152

γ Order par.

Mean

0.60 0.97 1.00 1.00 0.42 0.75 1.00 0.85 0.66 0.99 0.99 1.00 0.24 0.72 0.97 0.83

16 50 42 49 -110 62 36 54 31 54 42 52 -120 76 38 55

δ Order par.

Mean

0.67 0.92 1.00 1.00 0.58 0.99 1.00 0.95 0.67 0.86 1.00 1.00 0.40 0.97 0.99 0.96

150 148 105 151 145 150 118 138 144 148 106 152 146 149 115 133

ε Order par.

Mean

0.96 1.00 1.00 1.00 0.97 1.00 1.00 0.98 0.94 1.00 1.00 1.00 0.83 1.00 1.00 0.98

-106 170 -96 -170 -95 179 -76 -87 -129 168 -96 -161 -94 176 -76 -83

S1

ζ Order par.

Mean

0.72 1.00 1.00 0.99 0.76 1.00 0.97 0.88 0.61 1.00 1.00 0.77 0.58 0.99 0.97 0.87

42 -104 -74 123 154 142 -87 119 80 -98 -72 130 134 -111 -83 117

χ Order par.

Mean

Order par.

0.48 0.54 1.00 1.00 0.55 0.63 1.00 0.90 0.40 0.27 1.00 0.98 0.51 0.49 0.99 0.86

-119 -108 -118 -142 -89 -88 -108 -146 -125 -108 -116 -145 -84 -93 -106 -148

0.93 0.99 1.00 0.99 0.86 0.99 1.00 1.00 0.98 0.99 1.00 0.99 0.93 1.00 1.00 1.00

sugar conformation

C2’- endo C2’- endo O4’-endo C2’-endo C2’- endo C2’- endo O4’- endo C2’- endo C2’- endo C2’- endo O4’-endo C2’-endo C2’- endo C2’- endo O4’- endo C2’- endo