*HEADER    ANTISENSE                               12-DEC-00   1HG9
*TITLE     SOLUTION STRUCTURE OF DNA:RNA HYBRID
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: 5- D(*CP*TP*GP*AP*TP*AP*TP*GP*C) -3;
*COMPND   3 CHAIN: A;
*COMPND   4 MOL_ID: 2;
*COMPND   5 MOLECULE: 5- R(*GP*CP*AP*UP*AP*UP*CP*AP*G) -3;
*COMPND   6 CHAIN: B
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 MOL_ID: 2;
*SOURCE   4 SYNTHETIC: YES
*KEYWDS    ANTISENSE, LOCKED NUCLEIC ACID, DNA, RNA, HYBRID, RNASE H
*EXPDTA    NMR, 40 STRUCTURES
*AUTHOR    M.PETERSEN,K.BONDENSGAARD,J.WENGEL,J.P.JACOBSEN
*REVDAT   1   02-JAN-02 1HG9    0




#
# NMR restraints from MARDIGRAS calculations
#
  atom1  residue1  atom2  residue2  Lower Bound  Upper Bound
     H6         1    H1*         1         2.72          3.4
    H3*         1    H1*         1         3.22         4.02
    H3*         1     H6         1          2.8          3.3
    H3*         1     H5         1         4.44         5.67
   1H2*         1    H1*         1         2.42         2.98
   1H2*         1     H6         1         2.97         3.42
   1H2*         1     H5         1         3.96         4.97
   1H2*         1    H3*         1         2.31         2.71
   2H2*         1     H6         1         3.97         5.21
   2H2*         1    H3*         1         2.77         3.73
    H4*         2   2H2*         1         2.55         4.15
    H1*         2    H3*         1         4.97         6.03
    H1*         2    H4*         2         2.68         3.15
     H6         2    H1*         1          3.3          5.3
     H6         2     H5         1         4.35         5.31
     H6         2    H3*         1          2.7         3.68
     H6         2   2H2*         1          2.5         3.22
     H6         2    H4*         2         3.25         3.92
     H6         2    H1*         2         2.53         3.44
    H3*         2    H4*         2         2.21         2.87
    H3*         2    H1*         2         2.75         4.05
    H3*         2     H6         2         2.77         3.56
   1H2*         2    H3*         1         4.03         5.19
   1H2*         2    H1*         2         2.67         3.25
   1H2*         2    H3*         2         2.13          2.7
   2H2*         2    H3*         1         4.24         6.11
   2H2*         2    H4*         2         2.99         3.83
   2H2*         2    H1*         2         1.96         2.47
   2H2*         2     H6         2         2.24         3.03
   2H2*         2    H3*         2         2.38          2.9
    H4*         3    H1*         2         3.07         5.37
     H8         3    H4*         2         4.37         5.07
     H8         3    H1*         2         2.95          3.7
     H8         3    H3*         2         3.35         4.61
     H8         3   1H2*         2         2.34         3.81
     H8         3    H4*         3          3.5         4.28
    H3*         3     H8         3         2.75         4.07
   1H2*         3    H4*         3         3.34         4.58
   1H2*         3     H8         3         2.08         2.58
   1H2*         3    H3*         3         2.15         2.64
   2H2*         3    H4*         3         2.74         3.61
   2H2*         3    H3*         3         2.39         2.91
    H4*         4   1H2*         3         3.84         5.79
    H4*         4   2H2*         3         2.98         5.53
    H1*         4    H3*         3         4.16         5.75
    H1*         4    H4*         4          2.6         3.16
     H8         4    H4*         3         4.24         6.18
     H8         4     H8         3          3.0         4.93
     H8         4    H3*         3         3.05         4.07
     H8         4   1H2*         3         2.72         3.32
     H8         4   2H2*         3         2.31         2.81
     H8         4    H4*         4         3.69         4.23
     H8         4    H1*         4         2.85          3.6
     H2         4    H1*         4         3.55          4.3
    H3*         4    H4*         4         2.35         3.17
    H3*         4    H1*         4         2.85         3.73
    H3*         4     H8         4         2.99         3.64
   1H2*         4    H4*         4         3.21         4.07
   1H2*         4    H1*         4         2.35          3.2
   1H2*         4     H8         4         2.22         2.82
   1H2*         4     H2         4         4.09         4.96
   2H2*         4    H4*         4         2.71         3.29
   2H2*         4    H1*         4         2.02         2.46
   2H2*         4     H8         4         2.63          4.2
   2H2*         4     H2         4          4.5         5.79
   2H2*         4    H3*         4         2.28         2.87
    H1*         5     H2         4         3.06         3.91
     H6         5    H4*         4          4.5         6.22
     H6         5    H1*         4         3.16         4.02
     H6         5     H8         4         2.95         5.02
     H6         5    H3*         4         2.97         3.98
     H6         5   2H2*         4         2.11         3.58
     H6         5    H1*         5         2.88         3.47
   1H2*         5     H2         4         4.75         5.97
   1H2*         5    H1*         5         2.47         3.49
   1H2*         5     H6         5         1.96         2.44
   2H2*         5    H1*         5         1.91         2.43
    H4*         6   1H2*         5         4.21         5.49
    H4*         6   2H2*         5         3.05         4.45
    H1*         6    H4*         6         2.31          3.0
     H8         6    H1*         5         2.87         3.61
     H8         6     H6         5         3.11         4.79
     H8         6   1H2*         5         2.53         3.01
     H8         6   2H2*         5         2.36         2.84
     H8         6    H4*         6         3.81         4.46
     H8         6    H1*         6         3.02         3.59
    H3*         6    H1*         6         3.07         3.68
    H3*         6     H8         6         3.03         3.66
   1H2*         6    H4*         6         3.04         3.94
   1H2*         6    H1*         6         2.33         3.14
   1H2*         6     H8         6         2.23         2.61
   2H2*         6    H4*         6         2.81         3.38
   2H2*         6    H1*         6         2.04         2.48
   2H2*         6     H8         6         2.72         3.96
   2H2*         6    H3*         6         2.34          2.9
     H6         7    H4*         6         3.65         5.43
     H6         7    H1*         6         2.82         3.67
     H6         7    H3*         6         3.22         4.33
     H6         7   2H2*         6         2.23          3.3
    H3*         7     H6         7         2.98         3.43
   1H2*         7     H6         7         1.86         2.31
   2H2*         7    H3*         7         2.21         2.78
    H4*         8   1H2*         7         3.78         5.93
    H4*         8   2H2*         7         2.77         4.92
    H1*         8    H4*         8         2.37         3.04
     H8         8     H6         7         3.21          4.4
     H8         8    H3*         7          3.7         4.31
     H8         8   1H2*         7         2.65         3.11
     H8         8   2H2*         7          2.3         2.77
     H8         8    H4*         8         3.16         3.73
     H8         8    H1*         8         3.09         3.79
    H3*         8   1H2*         7         3.42          4.0
    H3*         8    H1*         8         3.17         3.94
    H3*         8     H8         8          3.2         3.78
   1H2*         8    H4*         8         3.21         3.77
   1H2*         8    H1*         8         2.52          3.7
   1H2*         8     H8         8          2.1         2.53
   2H2*         8    H4*         8         2.97         3.82
   2H2*         8    H1*         8         2.05         2.49
   2H2*         8     H8         8          2.6         4.49
   2H2*         8    H3*         8         2.34         2.79
     H6         9    H4*         8         4.44         5.23
     H6         9    H1*         8         2.78         3.38
     H6         9     H8         8         3.03         4.15
     H6         9    H3*         8         3.67         4.37
     H6         9   1H2*         8         2.78         3.63
     H6         9   2H2*         8         2.35         2.77
     H5         9   2H2*         7         3.47         5.94
     H5         9    H4*         8         3.21         5.41
     H5         9    H1*         8         3.55         4.33
     H5         9     H8         8         3.16         3.68
     H5         9    H3*         8         4.34         5.83
     H5         9   1H2*         8         3.32         3.95
     H5         9   2H2*         8         2.89         3.37
    H3*         9    H1*         8         4.12          5.7
    H3*         9   1H2*         8         4.34         5.82
    H3*         9   2H2*         8         3.94         5.24
    H3*         9     H6         9         2.64         3.16
    H3*         9     H5         9         2.98         4.97
   1H2*         9    H1*         8         3.94         5.88
   1H2*         9    H3*         8         4.59         6.34
   1H2*         9   1H2*         8          3.4         4.88
   1H2*         9   2H2*         8         3.77         4.68
   1H2*         9     H6         9         2.17          2.6
   1H2*         9     H5         9         3.65         4.72
   1H2*         9    H3*         9         2.22         2.69
   2H2*         9     H6         9         2.81         4.09
   2H2*         9     H5         9         4.42         6.31
   2H2*         9    H3*         9         2.56         3.24
     H8        10    H1*        10         3.06         3.69
    H3*        10    H1*        10         2.84         3.66
    H3*        10     H8        10         2.81         3.32
   1H2*        10    H1*        10         2.38         3.05
   1H2*        10     H8        10         2.92         3.81
   1H2*        10    H3*        10          1.8         4.05
   1H5*        11    H1*        10          3.7         6.09
   1H5*        11   1H2*        10         2.79          5.1
    H4*        11    H1*        10         3.86         5.96
    H4*        11   1H2*        10         4.19         5.93
    H1*        11   1H2*        10         3.07          4.8
    H1*        11    H4*        11         3.03         3.48
     H6        11     H8        10         3.17         4.78
     H6        11    H4*        11         3.45         3.94
     H6        11    H1*        11         3.14         3.63
     H5        11    H1*        10          3.1         4.19
     H5        11     H8        10         3.83         4.56
     H5        11   1H2*        10         2.89         4.85
     H5        11   1H5*        11         3.92         6.77
     H5        11    H4*        11         5.13         7.36
     H5        11    H1*        11         3.68          6.2
    H3*        11    H1*        11         2.66         3.51
   1H2*        11    H1*        10         4.28         6.44
   1H2*        11    H1*        11         2.28         2.77
   1H2*        11     H6        11          3.0          3.5
   1H2*        11     H5        11         5.12         6.67
    H1*        12    H1*        11         3.06         5.05
     H8        12    H1*        11          2.8         5.14
     H8        12     H6        11         3.55         4.97
     H8        12     H5        11          4.6         5.71
     H8        12    H1*        12         2.99         3.44
     H2        12   1H2*         7         5.88         7.06
     H2        12   2H2*         7         5.51         7.12
     H2        12    H4*         8         4.54         5.26
     H2        12    H1*        12         3.59         4.93
    H3*        12    H1*        12          2.5         3.19
    H3*        12     H2        12         5.16         6.51
    H4*        13     H2        12         5.82         7.05
    H1*        13     H2        12         2.72          3.4
    H1*        13    H3*        12         4.54         5.89
    H1*        13    H4*        13         2.78         3.44
     H6        13     H8        12         3.48         4.36
     H6        13    H3*        12         2.42         3.04
     H6        13    H1*        13         2.91         3.53
     H5        13    H1*        12         3.64         5.28
     H5        13     H8        12         3.54         4.28
     H5        13    H3*        12         3.33         3.86
     H5        13    H4*        13         2.89         5.43
     H5        13    H1*        13         4.66          6.6
    H3*        13    H1*        13         2.83         3.67
    H3*        13     H5        13         3.47         5.34
   1H2*        13     H2        12         3.66         5.48
   1H2*        13    H1*        13         1.97         2.67
   1H5*        14    H1*        13         2.74         4.17
     H8        14    H4*        13         3.46         4.83
     H8        14    H1*        13         2.68         4.58
     H8        14     H6        13         3.18         4.37
     H8        14     H5        13         4.28         4.96
     H8        14   1H5*        14         2.43         3.43
     H2        14    H1*         5         3.84          5.0
     H2        14   2H2*         5         4.97         6.06
     H2        14    H1*         6         3.07         3.91
     H2        14   1H2*         6         4.84         5.91
     H2        14   2H2*         6          4.7          5.8
    H3*        14     H2        14         4.34         5.87
   1H2*        14     H2        14          4.0         4.67
    H1*        15    H1*         6         3.69         4.62
    H1*        15     H2        14          2.7         3.37
    H1*        15   1H2*        14         3.48         4.96
     H6        15     H2        14         5.81         6.71
     H6        15    H3*        14         2.19         2.89
     H6        15    H1*        15         2.77         3.45
     H5        15     H8        14         3.53         4.19
     H5        15     H2        14         4.48         6.08
     H5        15    H3*        14         3.08         4.17
     H5        15    H1*        15         5.85         7.01
   1H2*        15     H2        14         4.32          5.5
   1H2*        15    H1*        15         2.18          2.8
   1H2*        15     H6        15         2.74         3.35
    H1*        16     H2         4         2.62         3.42
    H1*        16   1H2*        15         3.15         3.72
     H6        16    H1*        15         3.07         4.65
     H6        16     H5        15         4.45         5.61
     H6        16   1H2*        15         2.01         2.54
     H6        16    H1*        16         3.05         3.61
     H5        16     H6        15         3.13         3.73
     H5        16   1H2*        15         3.18         3.97
    H3*        16    H1*        16         2.66         3.59
    H3*        16     H6        16         2.08         2.59
    H3*        16     H5        16         3.22         4.38
   1H5*        17    H1*        16         2.13         4.06
    H1*        17   1H5*        17         3.71         5.51
     H8        17    H1*        16         3.16         4.76
     H8        17     H6        16         3.11         4.77
     H8        17     H5        16         4.43         5.51
     H8        17   1H5*        17          2.5         3.42
     H8        17    H1*        17          2.9         3.64
     H2        17    H1*        17         3.59         4.55
    H3*        17    H1*        17         3.02         3.62
    H3*        17     H8        17         2.26         2.78
    H3*        17     H2        17         5.79         6.41
   1H5*        18    H1*        17         2.72          4.6
   1H5*        18     H8        17         2.78         5.86
    H4*        18    H1*        17         4.79         5.79
    H1*        18     H8        17         5.99         6.97
    H1*        18     H2        17         3.28         3.82
    H1*        18    H3*        17         5.25          6.1
    H1*        18   1H5*        18         4.21         5.47
    H1*        18    H4*        18         2.78         3.42
     H8        18    H1*        17         3.48         4.63
     H8        18     H8        17         3.09         5.54
     H8        18    H3*        17         2.79         3.26
     H8        18   1H5*        18         3.15         4.06
     H8        18    H4*        18         3.53         4.07
     H8        18    H1*        18         3.01         3.52
    H3*        18    H1*        18         3.14         3.95
    H3*        18     H8        18         2.25         2.84
   1H2*        18     H2        17          4.5         5.35
   1H2*        18     H8        18          2.9         3.38
    H1*         3    H4*         3         2.47         3.15
    H1*         3     H8         3         3.07         3.67
    H1*         3    H3*         3          2.8         3.92
    H1*         3   2H2*         3         2.03         2.54
    H1*         3    H4*         4         3.08         5.31
    H1*         3     H8         4          2.5         3.27
    H1*         3     H2        17         3.15         5.36
    H4*         5    H1*         5         2.28         2.91
    H4*         5     H6         5         3.38         4.03
    H3*         5    H1*         5         3.24         3.92
    H3*         5     H6         5          2.7         3.23
    H3*         5     H8         6         3.37         3.97
    H1*         7    H3*         7         3.14         3.99
    H1*         7   1H2*         7         2.49         3.34
    H1*         7   2H2*         7         1.93         2.43
    H1*         7     H8         8         2.62         3.35
    H1*         7     H2        12         4.02         5.38
    H1*         9     H6         9         2.97         3.59
    H1*         9     H5         9         3.62         5.72
    H1*         9    H3*         9         3.52         4.05
    H1*         9   1H2*         9         2.47         3.24
    H1*         9   2H2*         9          2.0         2.43
   1H5*        10    H1*        10         4.33         5.07
   1H5*        10     H8        10         2.69         3.18
   1H5*        10    H3*        10         2.47         3.23
   1H5*        10   1H2*        10         3.37         4.77
   1H5*        10     H6        11         4.33         5.17
   1H5*        10     H5        11         4.66         6.15
   2H5*        10    H1*        10         4.19         4.97
   2H5*        10     H8        10         3.26         4.34
   2H5*        10   1H2*        10         3.06         5.76
   2H5*        10     H6        11         4.49         5.31
   2H5*        10     H5        11         4.38          7.4
    H4*        10    H1*        10         2.69         3.37
    H4*        10     H8        10         3.74         4.45
    H4*        10   1H2*        10         3.55          4.5
    H4*        10     H6        11         3.92          5.3
    H4*        10     H5        11         5.24         6.54
     H2         6    H1*        13         3.83         5.74
     H2         6   1H2*        13         3.73          4.7
     H2         6     H8        14         4.31         5.97
     H2         6     H2        14         3.29         4.47
     H2         6   1H2*        14         3.97         4.95
     H2         6    H1*        15         6.04         7.15
   1H5*        12     H5        13         5.47         6.64
   1H5*        13     H6        13         2.56         3.23
   1H5*        13     H5        13         2.68         6.18
    H1*        14     H8        14         3.03         3.53
    H1*        14     H2        14         3.69         5.13
    H1*        14    H1*        15         3.59         4.95
    H1*        14     H5        15         4.38         5.42
   1H5*        15    H1*        15         2.62         4.33
   1H5*        15     H5        15         3.98         5.02
   1H5*        15     H5        16         5.51         6.88
   1H5*        15    H1*        14         2.75         5.32
   1H5*        16    H1*        15         3.15         4.27
   1H5*        16    H1*        16         3.28         5.41
   1H5*        16     H6        16         2.75         3.48
   1H5*        16     H5        16         3.74         5.86
   1H2*        17    H1*        18         3.41         4.07
   1H2*        17     H8        18         2.16         2.75
   2H5*        17     H8        18         3.75          5.5
   1H2*        12     H2        12         3.93         4.44
   1H2*        16     H6        16         2.47         3.02
   1H2*        16     H5        16         3.72         4.88
   2H5*        18     H8        17          4.4         6.13
    H4*        17    H1*        17         2.75         3.54
    H4*        17     H8        17         2.79         3.49
   1H5*         1    H1*         1          4.2         5.58
   1H5*         1    H3*         1         2.54         3.21
   1H5*         1   1H2*         1         4.21         4.89
   1H5*         1   2H2*         1         4.04         5.57
   1H5*         1     H6         2         4.42         6.39
   2H5*         1    H1*         1         4.12         5.53
   2H5*         1     H6         1         3.27          4.0
   2H5*         1     H5         1         4.34         5.99
   2H5*         1   1H2*         1         3.97         5.35
   2H5*         1   2H2*         1         3.79         4.96
   2H5*         1     H6         2         4.54         6.29
   2H5*         3     H8         3         3.46         4.25
   1H5*         3     H8         3         3.26         3.74
   2H5*         4     H8         4         2.91          3.6
   1H5*         5     H6         5         3.22         3.81
   2H5*         5     H6         5          3.2         3.89
   1H5*         8     H8         8         3.09         4.46
   2H5*         9   1H2*         9         3.41         5.08
#
# 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