Changes in DNA bending induced by restricting nucleotide ring pucker studied by weak alignment NMR spectroscopy

Wu et al. 10.1073/pnas.0408498102.

Supporting Information

Files in this Data Supplement:

Supporting Table 3




Table 3. Experimental residual dipolar couplings in 20 ± 2 mg/ml Pf1

 

T8*

T7*

T7*T8*

Native

C1 H5-C5

18.27 ± 1.00

18.68 ± 1.20

23.19 ± 2.05

17.04 ± 1.00

C1 H6-C6

14.23 ± 1.13

14.45 ± 1.25

14.33 ± 1.50

11.14 ± 1.47

C1 H1′-C1′

1.08 ± 1.00

2.30 ± 1.00

2.84 ± 1.00

1.29 ± 1.00

C1 H3′-C3′

-5.45 ± 1.00

-3.94 ± 1.00

-5.12 ± 1.00

-5.84 ± 1.00

C1 H4′-C4′

5.67 ± 1.00

8.08 ± 1.00

13.95 ± 1.00

4.91 ± 1.00

G2 H8-C8

12.70 ± 1.00

12.33 ± 1.03

7.75 ± 1.12

9.81 ± 1.25

G2 H1′-C1′

18.18 ± 1.00

18.13 ± 1.00

20.55 ± 1.04

20.81 ± 1.00

G2 H3′-C3′

7.59 ± 1.03

6.32 ± 1.00

3.62 ± 1.49

 

G2 H4′-C4′

 

7.35 ± 1.00

13.02 ± 1.00

1.30 ± 1.00

C3 H5-C5

12.20 ± 1.78

12.28 ± 1.48

11.78 ± 2.90

10.01 ± 1.62

C3 H6-C6

19.69 ± 1.85

18.17 ± 2.26

17.91 ± 2.34

14.95 ± 2.29

C3 H1′-C1′

4.91 ± 1.00

4.10 ± 1.00

-0.12 ± 1.00

4.90 ± 1.00

C3 H3′-C3′

1.60 ± 1.06

 

-8.78 ± 1.62

 

C3 H4′-C4′

-4.82 ± 1.00

 

-6.20 ± 1.38

 

G4 H8-C8

 

20.34 ± 1.24

 

18.01 ± 1.34

G4 H1′-C1′

 

19.47 ± 1.00

 

20.54 ± 1.00

G4 H3′-C3′

 

14.45 ± 1.23

   

G4 H4′-C4′

     

-3.47 ± 1.00

A5 H2-C2

     

20.67 ± 1.43

A5 H8-C8

     

18.63 ± 1.72

A5 H1′-C1′

     

20.75 ± 1.00

A5 H3′-C3′

     

19.99 ± 1.00

A5 H4′-C4′

     

-6.84 ± 1.03

A6 H2-C2

     

18.74 ± 1.83

A6 H8-C8

     

17.88 ± 2.31

A6 H1′-C1′

     

20.26 ± 1.00

A6 H3′-C3′

     

19.86 ± 1.00

A6 H4′-C4′

     

4.14 ± 1.17

T7 H6-C6

     

17.61 ± 3.31

T7 H1′-C1′

     

17.48 ± 1.00

T7 H4′-C4′

     

8.32 ± 1.23

T8 H6-C6

     

19.30 ± 2.99

T8 H1′-C1′

     

18.60 ± 1.00

T8 H3′-C3′

     

21.36 ± 1.09

T8 H4′-C4′

     

11.26 ± 1.05

C9 H5-C5

 

21.07 ± 1.65

 

20.30 ± 1.44

C9 H6-C6

 

21.66 ± 2.44

 

20.35 ± 2.61

C9 H1′-C1′

 

13.73 ± 1.00

 

13.24 ± 1.00

C9 H3′-C3′

 

17.59 ± 1.00

 

21.43 ± 1.00

C9 H4′-C4′

       

G10 H8-C8

21.75 ± 1.00

16.56 ± 1.15

18.47 ± 1.10

18.23 ± 1.18

G10 H1′-C1′

20.24 ± 1.00

19.35 ± 1.00

25.05 ± 1.30

15.12 ± 1.00

G10 H3′-C3′

16.08 ± 1.00

15.04 ± 1.00

10.71 ± 1.36

 

G10 H4′-C4′

   

16.37 ± 1.13

24.64 ± 1.04

C11 H5-C5

23.47 ± 2.06

20.42 ± 1.62

23.65 ± 2.63

22.36 ± 1.28

C11 H6-C6

14.33 ± 1.50

11.19 ± 2.17

10.75 ± 2.75

12.56 ± 1.98

C11 H1′-C1′

13.51 ± 1.00

11.07 ± 1.00

12.16 ± 1.00

13.88 ± 1.00

C11 H3′-C3′

7.11 ± 1.00

3.57 ± 1.00

-0.48 ± 1.00

9.49 ± 1.00

C11 H4′-C4′

14.51 ± 1.00

 

12.62 ± 1.21

 

G12 H8-C8

8.17 ± 1.00

6.84 ± 1.00

3.70 ± 1.00

4.84 ± 1.00

G12 H1′-C1′

14.44 ± 1.00

12.91 ± 1.00

13.03 ± 1.00

15.57 ± 1.00

G12 H3′-C3′

7.83 ± 1.00

5.97 ± 1.00

3.53 ± 1.00

7.56 ± 1.00

G12 H4′-C4′

12.31 ± 1.00

9.49 ± 1.00

8.27 ± 1.00

14.41 ± 1.00

Errors in the reported dipolar couplings correspond to uncertainties estimated on the basis of the observed line width and south/north for the corresponding resonances in the isotropic and aligned media, according to Kontaxis et al. (1). Errors smaller than 1 Hz are rounded up to 1 Hz.

1. Kontaxis, G., Clore, G. M. & Bax, A. (2000) J. Magn. Reson. 143, 184-196

This Article

  1. PNAS January 4, 2005 vol. 102 no. 1 24-28