*HEADER    DEOXYRIBONUCLEIC ACID                   07-FEB-03   1OCI
*TITLE     [3.2.0]BCANA:DNA
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: 5'-D(*CP*TP*GP*A TLBP*AP*TP*GP*CP)-3';
*COMPND   3 SYNONYM: [3.2.0]BCANA:DNA;
*COMPND   4 CHAIN: A;
*COMPND   5 OTHER_DETAILS: DSDNA WITH A SINGLE [3.2.0]BCANA
*COMPND   6  (BICYCLIC ARABINO NUCLEOTIDE) MODIFICATION INCORPORATED;
*COMPND   7 MOL_ID: 2;
*COMPND   8 MOLECULE: 5'-D(*GP*CP*AP*TP*AP*TP*CP*AP*GP)-3';
*COMPND   9 CHAIN: B;
*COMPND  10 OTHER_DETAILS: DSDNA WITH A SINGLE [3.2.0]BCANA
*COMPND  11  (BICYCLIC ARABINO NUCLEOTIDE) MODIFICATION INCORPORATED
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 MOL_ID: 2;
*SOURCE   4 SYNTHETIC: YES
*KEYWDS    ARABINO NUCLEIC ACID, DNA, NMR, RNASE H
*EXPDTA    NMR, 40 STRUCTURES
*AUTHOR    H.V.TOMMERHOLT,N.K.CHRISTENSEN,P.NIELSEN,J.WENGEL,
*AUTHOR   2 P.C.STEIN,J.P.JACOBSEN,M.PETERSEN
*REVDAT   1   04-MAR-03 1OCI    0




  atom1  residue1  atom2  residue2  Lower Bound  Upper Bound
    H3*         1    H1*         1         3.82         4.35
    H3*         1     H6         1         4.27         4.88
   1H2*         1    H1*         1         3.13         3.71
   1H2*         1     H6         1         2.41          2.8
   1H2*         1    H3*         1         2.66         3.11
   2H2*         1    H1*         1         2.29         2.72
   2H2*         1     H6         1         3.67         4.54
     H6         2    H1*         1         3.79         4.39
     H6         2    H3*         1          4.1         4.82
     H6         2   1H2*         1         2.74         3.13
     H6         2   2H2*         1         2.67         3.06
     H6         2    H1*         2         2.97         3.35
    H3*         2    H1*         2          3.8         4.41
    H3*         2     H6         2         4.49          5.9
   1H2*         2    H1*         2         2.89         3.33
   1H2*         2     H6         2         1.94          2.3
   1H2*         2    H3*         2         2.26         2.62
   2H2*         2     H6         2         3.27         4.63
     H8         3    H3*         2         5.33         6.18
     H8         3   1H2*         2         3.58         4.05
     H8         3   2H2*         2         2.99         3.36
    H3*         3    H1*         3         3.48          3.9
    H3*         3     H8         3         4.24         4.98
   1H2*         3    H1*         3         2.74         3.15
   1H2*         3     H8         3         2.19         2.54
   2H2*         3    H1*         3         2.24          2.6
   2H2*         3     H8         3         3.27         3.96
   2H5*         4    H1*         3         2.93         3.37
     H8         4    H1*         3         2.99         3.42
     H8         4    H3*         3         4.25         4.92
     H8         4   2H2*         3         2.43         2.85
     H8         4   2H5*         4         3.94         4.64
    H3*         4   2H5*         4         2.33          2.7
    H3*         4     H8         4         4.07         5.31
   1H2*         4    H3*         4          2.1         2.49
   2H2*         4     H8         4         3.32         4.69
   2H2*         4    H3*         4         2.43         2.99
     H6         5     H8         4         3.86         4.72
     H6         5    H3*         4         4.82         6.03
     H6         5   1H2*         4         2.96         3.84
     H6         5   2H2*         4         2.27         2.64
   1H9*         5   1H2*         4         5.47         6.88
   1H9*         5   2H2*         4         4.29         5.33
   1H9*         5     H6         5         3.66         4.26
   2H9*         5   1H2*         4          5.1         6.39
   2H9*         5   2H2*         4         3.07         3.66
   2H9*         5     H6         5         2.72         3.12
    H1*         6    H4*         6         2.73         3.13
     H8         6   1H9*         5         3.56         4.11
     H8         6   2H9*         5         4.52         5.42
     H8         6    H4*         6         5.09         5.85
     H8         6    H1*         6         3.46         4.05
    H3*         6   2H5*         6         2.37         2.77
    H3*         6    H4*         6         2.55         2.95
    H3*         6    H1*         6         3.26         3.81
    H3*         6     H8         6          3.8         4.43
   1H2*         6   1H9*         5         5.56         6.66
   1H2*         6    H4*         6         3.84         4.55
   1H2*         6    H1*         6         2.74         3.28
   1H2*         6     H8         6         2.24         2.69
   2H2*         6    H4*         6         3.19         3.77
   2H2*         6    H1*         6         2.15          2.6
   2H2*         6     H8         6         3.33         4.08
   2H2*         6    H3*         6          2.4         2.89
     H6         7    H4*         6         5.72          6.8
     H6         7    H1*         6         3.03         3.58
     H6         7    H3*         6         4.02         4.94
     H6         7   1H2*         6          2.8          3.5
     H6         7   2H2*         6         2.26         2.75
     H6         7    H1*         7         2.94         3.68
    H3*         7    H1*         7         3.68         4.38
    H3*         7     H6         7         3.44         4.22
   1H2*         7   2H2*         6         3.45         4.63
   1H2*         7    H1*         7         2.85         3.82
   1H2*         7     H6         7         1.94         2.44
   2H2*         7    H1*         7         2.02         2.53
   2H2*         7     H6         7         2.83         4.48
   2H5*         8    H1*         7         2.78         4.27
    H4*         8   2H2*         7         4.26         5.34
    H1*         8    H4*         8         2.71         3.27
     H8         8    H1*         7         3.54         4.27
     H8         8     H6         7         4.11         4.93
     H8         8    H3*         7         4.34         5.23
     H8         8   1H2*         7         3.09         3.71
     H8         8   2H2*         7         2.85         3.32
     H8         8    H4*         8         5.32          6.3
     H8         8    H1*         8         3.56         4.23
    H3*         8    H4*         8         2.38          2.9
    H3*         8    H1*         8         3.42         4.23
    H3*         8     H8         8         3.71         4.43
   1H2*         8    H1*         8         2.65         3.14
   1H2*         8     H8         8         2.12         2.57
   2H2*         8    H1*         8         2.19         2.62
   2H2*         8     H8         8         3.07          3.9
   2H2*         8    H3*         8         2.32         2.81
     H6         9    H1*         8         2.88         3.28
     H6         9    H3*         8         3.98         4.77
     H6         9   2H2*         8         2.54         2.94
     H5         9     H8         8         3.66         4.11
     H5         9   1H2*         8         3.43         3.92
     H5         9   2H2*         8         3.17         3.59
    H3*         9   2H2*         8          4.6         5.23
    H3*         9     H6         9         3.02          3.4
   1H2*         9     H5         9         3.92         4.41
     H6        11   2H2*        10         2.32         3.22
     H6        11   2H5*        11         3.26         3.71
     H5        11   1H2*        10         2.88         3.31
     H5        11   2H2*        10         3.01         3.85
    H3*        11   2H5*        11         2.46         2.83
    H3*        11     H6        11         3.96         5.45
   1H2*        11   2H2*        10         2.95         4.56
   1H2*        11     H5        11          4.3         6.06
   2H2*        11     H6        11         2.94         4.53
   2H2*        11     H5        11          4.5         5.67
   2H2*        11    H3*        11         2.42         2.94
    H4*        12   2H2*        11         4.67         5.51
    H1*        12    H4*        12         2.81          3.3
     H8        12     H6        11         4.43         5.94
     H8        12    H3*        11         4.24         5.21
     H8        12   1H2*        11         2.87         3.84
     H8        12   2H2*        11         2.42         3.19
     H8        12    H4*        12         4.75         5.88
     H8        12    H1*        12          3.2         4.25
    H3*        12    H4*        12          2.4          2.9
    H3*        12    H1*        12         3.09         4.15
    H3*        12     H8        12         3.36         4.35
   1H2*        12    H4*        12         3.31         4.01
   1H2*        12    H1*        12         2.43         3.63
   1H2*        12     H8        12         1.96         2.42
   2H2*        12    H4*        12         3.67         4.62
   2H2*        12    H1*        12         2.05         2.48
   2H2*        12     H8        12         2.33         4.22
   2H2*        12    H3*        12         2.28         2.79
   2H5*        13    H1*        12         2.42         3.29
   2H5*        13     H8        12         3.12         4.69
   2H5*        13   2H2*        12         2.13         3.91
    H1*        13   2H5*        13         3.77         5.18
     H6        13    H4*        12         5.78         7.02
     H6        13    H1*        12         2.86         4.04
     H6        13     H8        12         4.13         5.18
     H6        13    H3*        12         3.97         5.43
     H6        13   1H2*        12         2.35         3.49
     H6        13   2H2*        12         2.14         2.75
     H6        13   2H5*        13         2.53         3.49
     H6        13    H1*        13         2.99         3.79
    H3*        13   2H2*        12         4.56         5.72
    H3*        13   2H5*        13         2.72         3.46
    H3*        13    H1*        13         3.44          4.2
   1H2*        13   2H2*        12         2.49         4.06
   1H2*        13   2H5*        13         2.32         3.78
   1H2*        13    H1*        13         2.47         3.77
   1H2*        13     H6        13          1.9         2.35
   2H2*        13    H1*        13         2.09         2.57
   2H2*        13     H6        13         2.26         4.51
   2H2*        13    H3*        13         2.51         3.04
     H8        14    H1*        13         3.03         3.58
     H8        14   1H2*        13         2.89         3.73
     H8        14   2H2*        13          2.4         2.83
     H8        14    H1*        14         3.32         3.83
    H3*        14    H1*        14         3.43         3.94
   1H2*        14    H1*        14          2.8         3.31
   1H2*        14     H8        14         2.22         2.67
   1H2*        14    H3*        14         2.17         2.53
   2H2*        14    H1*        14         2.16         2.54
   2H2*        14     H8        14         3.82         5.14
   2H2*        14    H3*        14         2.54         2.97
    H1*        15     H2        14         3.72         4.18
     H6        15    H1*        14         3.26         3.73
     H6        15   1H2*        14         2.71         3.24
     H6        15   2H2*        14         2.41         2.81
     H6        15    H1*        15         3.05         3.64
    H3*        15     H6        15         3.88         4.73
   1H2*        15   2H2*        14         3.78         4.61
   1H2*        15    H1*        15         2.87         3.57
   1H2*        15     H6        15         2.04         2.43
   2H2*        15    H1*        15         2.02         2.47
   2H2*        15     H6        15         3.38          4.8
   2H5*        16    H1*        15         4.41         5.76
     H6        16     H6        15          4.5         5.69
     H6        16   2H2*        15         2.41         2.84
     H5        16     H6        15          3.3          3.7
    H3*        16     H6        16         3.59         4.36
   1H2*        16    H3*        16         2.25         2.68
   2H2*        16     H6        16         2.99          4.1
   2H2*        16     H5        16         4.56         5.67
   2H2*        16    H3*        16          2.9         3.74
   2H5*        17   2H2*        16          3.3         3.81
    H4*        17   2H5*        17         2.37         2.74
    H1*        17    H4*        17         3.01         3.39
     H8        17    H3*        16         4.31         5.04
     H8        17   1H2*        16         3.24          3.9
     H8        17   2H2*        16         3.01         3.58
     H8        17   2H5*        17         4.59         5.43
     H8        17    H1*        17         3.24         4.04
    H3*        17   2H5*        17         2.75         3.11
    H3*        17    H4*        17         2.63          3.0
    H3*        17    H1*        17         3.25         3.68
    H3*        17     H8        17         3.84         4.79
   1H2*        17   1H2*        16          4.2         5.49
   1H2*        17   2H2*        16         3.77         5.16
   1H2*        17    H1*        17         2.63         3.13
   1H2*        17     H8        17          2.0         2.42
   2H2*        17    H1*        17         2.13         2.56
   2H2*        17     H8        17          3.0         4.13
     H8        18    H3*        17         5.09         5.99
     H8        18   1H2*        17         3.24         3.72
     H8        18   2H2*        17         2.83         3.25
    H3*        18   2H2*        17         4.07          4.8
    H3*        18    H1*        18         3.93         4.53
    H3*        18     H8        18         4.05         4.78
   1H2*        18     H8        18          2.4         2.78
   1H2*        18    H3*        18          2.5         2.96
   2H2*        18    H1*        18         2.18         2.54
   2H2*        18     H8        18         3.85         5.15
   2H2*        18    H3*        18         3.01         3.49
   1H5*         1    H1*         1         4.66         5.52
   1H5*         1     H6         1         3.37         3.87
   1H5*         1   1H2*         1          4.1         5.14
    H4*         1    H1*         1          3.0         3.47
    H4*         1     H6         1         4.08          4.6
    H4*         1   1H2*         1         4.21         5.13
    H4*         1   2H2*         1         3.14         3.58
   2H5*         1     H6         1         3.37          3.9
   2H5*         1   1H2*         1         4.69         5.78
   2H5*         1   1H5*         2         4.81          5.7
    H4*         2    H1*         2         2.65          3.0
    H4*         2     H6         2         4.59         5.35
    H4*         2   1H2*         2         3.79          4.4
    H4*         2   2H2*         2         3.43         3.89
    H4*         2     H8         3         4.58         5.19
    H4*         3    H1*         3         2.85         3.21
    H4*         3    H3*         3         2.59         2.95
    H4*         3     H8         4         5.66         6.64
   2H5*         3     H8         3         4.85         5.41
   2H5*         3    H3*         3         2.78         3.14
    H1*         4     H8         4          3.5         4.13
    H1*         4    H3*         4         3.52         4.04
    H1*         4   1H2*         4         2.85         3.48
    H1*         4   2H2*         4         2.27         2.64
    H1*         4   2H5*         5         4.08          4.7
    H1*         4     H6         5         3.27         3.69
    H1*         5    H4*         6         4.15         4.63
    H1*         5     H2        14         4.56         5.09
   2H2*         5     H6         5         3.51         3.89
   2H2*         5   2H5*         6          3.1         3.49
   2H2*         5    H4*         6         4.01         4.45
   2H2*         5     H8         6         2.28         2.65
   1H5*         6    H4*         6         2.69          3.1
     H2         6    H1*         7         3.38         3.84
   2H5*         7    H1*         7         4.27         4.98
   2H5*         7   2H2*         7         4.33         5.86
    H4*         7    H1*         7         2.31         2.81
    H4*         7   1H2*         7          3.8         4.59
    H4*         7     H8         8         5.77         6.78
    H1*         9     H6         9         3.11         3.49
    H1*         9    H3*         9         3.73         4.23
    H1*         9   1H2*         9         2.91         3.41
    H1*        10   1H2*        10         3.23         4.33
    H1*        10   2H2*        10         2.25         2.65
    H1*        10     H6        11         2.91         3.38
    H3*        10   1H2*        10         2.23         2.64
    H3*        10   2H2*        10         2.79         3.59
    H3*        10     H6        11         5.11         5.88
    H1*        11     H6        11         3.13         3.93
    H1*        11    H3*        11          3.6         4.41
    H1*        11   1H2*        11         2.88         3.82
    H1*        11   2H2*        11         2.08         2.56
    H1*        11     H8        12         2.92         3.64
   1H5*        12    H4*        12         2.67         3.33
   2H5*        12     H8        12         3.38         4.38
   2H5*        12    H3*        12         2.27         2.76
   2H5*        12    H1*        11         2.91         4.98
     H2        12    H1*        12         4.73         5.72
     H2        12    H1*        13         3.76         4.49
    H4*        14    H1*        14         2.74         3.11
    H4*        14     H8        14         4.99         5.87
    H4*        14    H3*        14         2.64         3.01
    H4*        14   1H2*        14         3.59          4.1
    H4*        14     H6        15          6.0         7.08
   2H5*        14    H3*        14          2.2         2.56
    H4*        15   1H2*        15         3.67         4.42
    H1*        16     H6        16         3.35         4.04
    H1*        16    H3*        16         3.61         4.43
    H1*        16   1H2*        16         3.13         3.85
    H1*        16   2H2*        16         2.27         2.66
    H1*        16     H8        17         3.57         4.19
    H4*        18    H1*        18         2.69         3.05
     H2         4    H1*         4          4.3          4.8
     H2         4    H1*         5         3.31         3.68
   2H2*         9    H1*         9         2.15          2.5
   2H5*         2    H3*         2         2.92         3.29
#
# Watson-Crick base pairing restraints
#
  atom1  residue1  atom2  residue2  Lower Bound  Upper Bound
     O2         1    1H2        18         1.74         2.10
     N3         1     H1        18         1.74         2.10
    1H4         1     O6        18         1.74         2.10
     H3         2     N1        17         1.74         2.10
     O4         2    1H6        17         1.74         2.10
     O2        16    1H2         3         1.74         2.10
     N3        16     H1         3         1.74         2.10
    1H4        16     O6         3         1.74         2.10
     H3        15     N1         4         1.74         2.10
     O4        15    1H6         4         1.74         2.10
     H3         5     N1        14         1.74         2.10
     O4         5    1H6        14         1.74         2.10
     H3        13     N1         6         1.74         2.10
     O4        13    1H6         6         1.74         2.10
     H3         7     N1        12         1.74         2.10
     O4         7    1H6        12         1.74         2.10
     O2        11    1H2         8         1.74         2.10
     N3        11     H1         8         1.74         2.10
    1H4        11     O6         8         1.74         2.10
     O2         9    1H2        10         1.74         2.10
     N3         9     H1        10         1.74         2.10
    1H4         9     O6        10         1.74         2.10