*HEADER    RNA                                     24-SEP-02   1MV2              
*TITLE     THE TANDEM, FACE-TO-FACE AP PAIRS IN 5'(RGGCAPGCCU)2                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-R(*GP*GP*CP*AP*(P5P)P*GP*CP*CP*U)-3';                   
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    RIBONUCLEIC ACID, DUPLEX, TANDEM MISMATCH, PURINE                     
*EXPDTA    NMR                                                                   
*AUTHOR    B.M.ZNOSKO, M.E.BURKARD, T.R.KRUGH, D.H.TURNER                        
*REVDAT   1   18-DEC-02 1MV2    0                                                
!BIOSYM restraint 1
!
!
!   The format and some of the numbers in this file were taken from MEB's 
!    G7syn.rstrnt file.  Any numbers taken from MEB's file will be noted.
!
#distance
!
!HYDROGEN-BONDING DISTANCES (based on theoretical # and taken from MEB)
!
1:G5'_1:H1         1:C_8B:N3            1.800    2.500    25.000   25.000 1000.000    !Hbond
1:G5'_1:O6         1:C_8B:H42           1.800    2.500    25.000   25.000 1000.000    !Hbond
1:G5'_1:H22        1:C_8B:O2            1.800    2.500    25.000   25.000 1000.000    !Hbond
1:G_2:H1           1:C_7B:N3            1.800    2.500    25.000   25.000 1000.000    !Hbond
1:G_2:O6           1:C_7B:H42           1.800    2.500    25.000   25.000 1000.000    !Hbond
1:G_2:H22          1:C_7B:O2            1.800    2.500    25.000   25.000 1000.000    !Hbond
1:C_3:N3           1:G_6B:H1            1.800    2.500    25.000   25.000 1000.000    !Hbond
1:C_3:H42          1:G_6B:O6            1.800    2.500    25.000   25.000 1000.000    !Hbond
1:C_3:O2           1:G_6B:H22           1.800    2.500    25.000   25.000 1000.000    !Hbond
1:G_6:H1           1:C_3B:N3            1.800    2.500    25.000   25.000 1000.000    !Hbond
1:G_6:O6           1:C_3B:H42           1.800    2.500    25.000   25.000 1000.000    !Hbond
1:G_6:H22          1:C_3B:O2            1.800    2.500    25.000   25.000 1000.000    !Hbond
1:C_7:N3           1:G_2B:H1            1.800    2.500    25.000   25.000 1000.000    !Hbond
1:C_7:H42          1:G_2B:O6            1.800    2.500    25.000   25.000 1000.000    !Hbond
1:C_7:O2           1:G_2B:H22           1.800    2.500    25.000   25.000 1000.000    !Hbond
1:C_8:N3           1:G5'_1B:H1          1.800    2.500    25.000   25.000 1000.000    !Hbond
1:C_8:H42          1:G5'_1B:O6          1.800    2.500    25.000   25.000 1000.000    !Hbond
1:C_8:O2           1:G5'_1B:H22         1.800    2.500    25.000   25.000 1000.000    !Hbond
!
!***************************************************
!strand 1:
!
#distance
!
1:G5'_1:H8        1:G5'_1:H1'           2.559  4.753    25.000   25.000 1000.000 !  3.656  0.30/0.30:
1:G5'_1:H1'       1:G5'_1:H4'           2.378  4.416    25.000   25.000 1000.000 !  3.397  0.30/0.30:
1:G5'_1:H1'       1:G_2:H8              2.821  5.240    25.000   25.000 1000.000 !  4.031  0.30/0.30:
1:G5'_1:H1'       1:G5'_1:H3'           2.309  4.287    25.000   25.000 1000.000 !  3.298  0.30/0.30:
1:G5'_1:H2'       1:G5'_1:H1'           1.887  3.504    25.000   25.000 1000.000 !  2.695  0.30/0.30:
1:G5'_1:H2'       1:G5'_1:H3'           1.497  2.780    25.000   25.000 1000.000 !  2.139  0.30/0.30:
1:G5'_1:H2'       1:G5'_1:H4'           2.559  4.753    25.000   25.000 1000.000 !  3.656  0.30/0.30:
1:G5'_1:H3'       1:G5'_1:H8            2.255  4.187    25.000   25.000 1000.000 !  3.221  0.30/0.30:
1:G_2:H8          1:G5'_1:H2'           1.661  3.085    25.000   25.000 1000.000 !  2.373  0.30/0.30:
1:G_2:H8          1:G5'_1:H3'           1.724  3.202    25.000   25.000 1000.000 !  2.463  0.30/0.30:
1:G_2:H8          1:G_2:H1'             2.802  5.204    25.000   25.000 1000.000 !  4.003  0.30/0.30:
1:G_2:H1'         1:G5'_1:H2'           2.954  5.485    25.000   25.000 1000.000 !  4.220  0.30/0.30:
1:G_2:H1'         1:C_3:H5              3.211  5.964    25.000   25.000 1000.000 !  4.588  0.30/0.30:
1:G_2:H1'         1:G_2:H3'             2.200  4.087    25.000   25.000 1000.000 !  3.143  0.30/0.30:
1:G_2:H2'         1:G_2:H1'             2.040  3.789    25.000   25.000 1000.000 !  2.915  0.30/0.30:
1:G_2:H2'         1:C_3:H5              2.992  5.556    25.000   25.000 1000.000 !  4.274  0.30/0.30:
1:G_2:H2'         1:C_3:H6              1.727  3.208    25.000   25.000 1000.000 !  2.468  0.30/0.30:
1:G_2:H2'         1:C_3:H1'             3.211  5.964    25.000   25.000 1000.000 !  4.587  0.30/0.30:
1:C_3:H5          1:G_2:H8              2.776  5.156    25.000   25.000 1000.000 !  3.966  0.30/0.30:
1:C_3:H6          1:C_3:H5              1.728  3.210    25.000   25.000 1000.000 !  2.469  0.30/0.30:
1:C_3:H6          1:C_3:H1'             2.560  4.754    25.000   25.000 1000.000 !  3.657  0.30/0.30:
1:C_3:H6          1:C_3:H2'             2.293  4.258    25.000   25.000 1000.000 !  3.275  0.30/0.30:
1:C_3:H1'         1:C_3:H3'             2.171  4.032    25.000   25.000 1000.000 !  3.102  0.30/0.30:
!1:C_3:H1'         1:A_4:H8  3.277    6.000    25.000   25.000 1000.000 !  4.682  0.30/0.30:
1:C_3:H2'         1:C_3:H1'             1.904  3.537    25.000   25.000 1000.000 !  2.720  0.30/0.30:
1:C_3:H2'         1:A_4:H1'             2.354  4.371    25.000   25.000 1000.000 !  3.362  0.30/0.30:
1:C_3:H3'         1:C_3:H6              2.010  3.732    25.000   25.000 1000.000 !  2.871  0.30/0.30:
1:C_3:H3'         1:A_4:H8              2.048  3.803    25.000   25.000 1000.000 !  2.926  0.30/0.30:
1:A_4:H8          1:C_3:H2'             1.834  3.406    25.000   25.000 1000.000 !  2.620  0.30/0.30:
1:A_4:H8          1:A_4:H1'             2.875  5.339    25.000   25.000 1000.000 !  4.107  0.30/0.30:
1:A_4:H8          1:A_4:H3'             2.176  4.040    25.000   25.000 1000.000 !  3.108  0.30/0.30:
1:A_4:H1'         1:A_4:H2'             1.826  3.391    25.000   25.000 1000.000 !  2.608  0.30/0.30:
1:A_4:H1'         1:A_4:H3'             2.791  5.184    25.000   25.000 1000.000 !  3.987  0.30/0.30:
1:A_4:H2'         1:A_4:H8              2.414  4.483    25.000   25.000 1000.000 !  3.449  0.30/0.30:
1:PUR_5:H2        1:PUR_5:H1'           3.188  5.920    25.000   25.000 1000.000 !  4.554  0.30/0.30:
!Is this a cross-strand or intrastrand???
!1:PUR_5:H2        1:A_4:H2              3.310  6.000    25.000   25.000 1000.000 !  4.728  0.30/0.30:
!Is this a cross-strand or intrastrand???
!1:PUR_5:H6        1:A_4:H2              2.649  4.919    25.000   25.000 1000.000 !  3.784  0.30/0.30:
1:PUR_5:H8        1:A_4:H3'             2.550  4.736    25.000   25.000 1000.000 !  3.643  0.30/0.30:
!1:PUR_5:H8        1:PUR_5:H1'           3.324  6.000    25.000   25.000 1000.000 !  4.748  0.30/0.30:
1:PUR_5:H8        1:PUR_5:H2'           2.667  4.953    25.000   25.000 1000.000 !  3.810  0.30/0.30:
1:PUR_5:H8        1:A_4:H2'             2.023  3.757    25.000   25.000 1000.000 !  2.890  0.30/0.30:
1:PUR_5:H1'       1:PUR_5:H3'           2.278  4.230    25.000   25.000 1000.000 !  3.254  0.30/0.30:
1:PUR_5:H1'       1:A_4:H2              2.897  5.380    25.000   25.000 1000.000 !  4.138  0.30/0.30:
1:PUR_5:H2'       1:PUR_5:H1'           2.079  3.861    25.000   25.000 1000.000 !  2.970  0.30/0.30:
1:PUR_5:H2'       1:G_6:H8              1.842  3.422    25.000   25.000 1000.000 !  2.632  0.30/0.30:
!1:G_6:H8          1:PUR_5:H1'           3.735  6.000    25.000   25.000 1000.000 !  5.335  0.30/0.30:
1:G_6:H8          1:G_6:H3'             1.860  3.454    25.000   25.000 1000.000 !  2.657  0.30/0.30:
1:G_6:H1'         1:G_6:H8              2.958  5.494    25.000   25.000 1000.000 !  4.226  0.30/0.30:
1:G_6:H1'         1:G_6:H2'             1.953  3.627    25.000   25.000 1000.000 !  2.790  0.30/0.30:
1:G_6:H1'         1:C_7:H6              2.797  5.194    25.000   25.000 1000.000 !  3.995  0.30/0.30:
1:G_6:H2'         1:C_7:H6              1.807  3.357    25.000   25.000 1000.000 !  2.582  0.30/0.30:
1:G_6:H2'         1:C_7:H5              2.635  4.893    25.000   25.000 1000.000 !  3.764  0.30/0.30:
1:C_7:H5          1:C_8:H5              2.417  4.488    25.000   25.000 1000.000 !  3.452  0.30/0.30:
1:C_7:H6          1:C_7:H5              1.772  3.291    25.000   25.000 1000.000 !  2.531  0.30/0.30:
1:C_7:H6          1:C_7:H1'             2.272  4.219    25.000   25.000 1000.000 !  3.246  0.30/0.30:
1:C_7:H2'         1:C_7:H1'             1.907  3.541    25.000   25.000 1000.000 !  2.724  0.30/0.30:
1:C_7:H2'         1:C_8:H5              2.570  4.773    25.000   25.000 1000.000 !  3.671  0.30/0.30:
1:C_7:H3'         1:C_7:H6              1.913  3.552    25.000   25.000 1000.000 !  2.732  0.30/0.30:
1:C_7:H3'         1:C_7:H1'             2.409  4.474    25.000   25.000 1000.000 !  3.441  0.30/0.30:
1:C_8:H6          1:C_7:H2'             1.598  2.968    25.000   25.000 1000.000 !  2.283  0.30/0.30:
1:C_8:H6          1:C_8:H5              1.710  3.175    25.000   25.000 1000.000 !  2.443  0.30/0.30:
1:C_8:H1'         1:C_8:H6              2.658  4.936    25.000   25.000 1000.000 !  3.797  0.30/0.30:
1:C_8:H2'         1:C_8:H1'             1.811  3.364    25.000   25.000 1000.000 !  2.587  0.30/0.30:
1:U3'_9:H5        1:C_8:H2'             2.232  4.145    25.000   25.000 1000.000 !  3.188  0.30/0.30:
1:U3'_9:H6        1:C_8:H2'             1.752  3.254    25.000   25.000 1000.000 !  2.503  0.30/0.30:
1:U3'_9:H6        1:U3'_9:H5            1.743  3.236    25.000   25.000 1000.000 !  2.489  0.30/0.30:
1:U3'_9:H6        1:U3'_9:H3'           1.802  3.347    25.000   25.000 1000.000 !  2.575  0.30/0.30:
1:U3'_9:H1'       1:U3'_9:H6            3.136  5.824    25.000   25.000 1000.000 !  4.480  0.30/0.30:
1:U3'_9:H2'       1:U3'_9:H6            2.404  4.464    25.000   25.000 1000.000 !  3.434  0.30/0.30:
1:U3'_9:H2'       1:U3'_9:H1'           2.009  3.730    25.000   25.000 1000.000 !  2.869  0.30/0.30:
1:U3'_9:H3'       1:U3'_9:H1'           2.496  4.635    25.000   25.000 1000.000 !  3.565  0.30/0.30:
1:C_8:H3'         1:C_8:H6              1.990  3.700    25.000   25.000 1000.000 !  2.850  0.30/0.30:
1:C_8:H3'         1:U3'_9:H6            1.980  3.670    25.000   25.000 1000.000 !  2.830  0.30/0.30:
1:C_8:H3'         1:C_8:H1'             2.717  5.046    25.000   25.000 1000.000 !  3.882  0.30/0.30:
!
!***************************************************
!
!strand 2:
!
1:G5'_1B:H8       1:G5'_1B:H1'   2.559  4.753    25.000   25.000 1000.000 !  3.656  0.30/0.30:
1:G5'_1B:H1'      1:G5'_1B:H4'   2.378  4.416    25.000   25.000 1000.000 !  3.397  0.30/0.30:
1:G5'_1B:H1'      1:G_2B:H8  2.821  5.240    25.000   25.000 1000.000 !  4.031  0.30/0.30:
1:G5'_1B:H1'      1:G5'_1B:H3'   2.309  4.287    25.000   25.000 1000.000 !  3.298  0.30/0.30:
1:G5'_1B:H2'      1:G5'_1B:H1'   1.887  3.504    25.000   25.000 1000.000 !  2.695  0.30/0.30:
1:G5'_1B:H2'      1:G5'_1B:H3'   1.497  2.780    25.000   25.000 1000.000 !  2.139  0.30/0.30:
1:G5'_1B:H2'      1:G5'_1B:H4'   2.559  4.753    25.000   25.000 1000.000 !  3.656  0.30/0.30:
1:G5'_1B:H3'      1:G5'_1B:H8  2.255  4.187    25.000   25.000 1000.000 !  3.221  0.30/0.30:
1:G_2B:H8         1:G5'_1B:H2'   1.661  3.085    25.000   25.000 1000.000 !  2.373  0.30/0.30:
1:G_2B:H8         1:G5'_1B:H3'   1.724  3.202    25.000   25.000 1000.000 !  2.463  0.30/0.30:
1:G_2B:H8         1:G_2B:H1'  2.802  5.204    25.000   25.000 1000.000 !  4.003  0.30/0.30:
1:G_2B:H1'        1:G5'_1B:H2'   2.954  5.485    25.000   25.000 1000.000 !  4.220  0.30/0.30:
1:G_2B:H1'        1:C_3B:H5  3.211  5.964    25.000   25.000 1000.000 !  4.588  0.30/0.30:
1:G_2B:H1'        1:G_2B:H3'  2.200  4.087    25.000   25.000 1000.000 !  3.143  0.30/0.30:
1:G_2B:H2'        1:G_2B:H1'  2.040  3.789    25.000   25.000 1000.000 !  2.915  0.30/0.30:
1:G_2B:H2'        1:C_3B:H5  2.992  5.556    25.000   25.000 1000.000 !  4.274  0.30/0.30:
1:G_2B:H2'        1:C_3B:H6  1.727  3.208    25.000   25.000 1000.000 !  2.468  0.30/0.30:
1:G_2B:H2'        1:C_3B:H1'  3.211  5.964    25.000   25.000 1000.000 !  4.587  0.30/0.30:
1:C_3B:H5         1:G_2B:H8  2.776  5.156    25.000   25.000 1000.000 !  3.966  0.30/0.30:
1:C_3B:H6         1:C_3B:H5  1.728  3.210    25.000   25.000 1000.000 !  2.469  0.30/0.30:
1:C_3B:H6         1:C_3B:H1'  2.560  4.754    25.000   25.000 1000.000 !  3.657  0.30/0.30:
1:C_3B:H6         1:C_3B:H2'  2.293  4.258    25.000   25.000 1000.000 !  3.275  0.30/0.30:
1:C_3B:H1'        1:C_3B:H3'  2.171  4.032    25.000   25.000 1000.000 !  3.102  0.30/0.30:
!1:C_3B:H1'        1:A_4B:H8  3.277    6.000    25.000   25.000 1000.000 !  4.682  0.30/0.30:
1:C_3B:H2'        1:C_3B:H1'  1.904  3.537    25.000   25.000 1000.000 !  2.720  0.30/0.30:
1:C_3B:H2'        1:A_4B:H1'  2.354  4.371    25.000   25.000 1000.000 !  3.362  0.30/0.30:
1:C_3B:H3'        1:C_3B:H6  2.010  3.732    25.000   25.000 1000.000 !  2.871  0.30/0.30:
1:C_3B:H3'        1:A_4B:H8  2.048  3.803    25.000   25.000 1000.000 !  2.926  0.30/0.30:
1:A_4B:H8         1:C_3B:H2'  1.834  3.406    25.000   25.000 1000.000 !  2.620  0.30/0.30:
1:A_4B:H8         1:A_4B:H1'  2.875  5.339    25.000   25.000 1000.000 !  4.107  0.30/0.30:
1:A_4B:H8         1:A_4B:H3'  2.176  4.040    25.000   25.000 1000.000 !  3.108  0.30/0.30:
1:A_4B:H1'        1:A_4B:H2'  1.826  3.391    25.000   25.000 1000.000 !  2.608  0.30/0.30:
1:A_4B:H1'        1:A_4B:H3'  2.791  5.184    25.000   25.000 1000.000 !  3.987  0.30/0.30:
1:A_4B:H2'        1:A_4B:H8  2.414  4.483    25.000   25.000 1000.000 !  3.449  0.30/0.30:
1:PUR_5B:H2       1:PUR_5B:H1'   3.188  5.920    25.000   25.000 1000.000 !  4.554  0.30/0.30:
!Is this a cross-srand or intrasttrand???
!1:PUR_5B:H2       1:A_4B:H2  3.310    6.000    25.000   25.000 1000.000 !  4.728  0.30/0.30:
!Is this a cross-srand or intrasttrand???
!1:PUR_5B:H6    1:A_4B:H2         2.649    4.919   25.000   25.000 1000.000 !  3.784  0.30/0.30:
1:PUR_5B:H8       1:A_4B:H3'  2.550  4.736    25.000   25.000 1000.000 !  3.643  0.30/0.30:
!1:PUR_5B:H8       1:PUR_5B:H1'          3.324    6.000    25.000   25.000 1000.000 !  4.748  0.30/0.30:
1:PUR_5B:H8       1:PUR_5B:H2'   2.667  4.953    25.000   25.000 1000.000 !  3.810  0.30/0.30:
1:PUR_5B:H8       1:A_4B:H2'           2.023  3.757    25.000   25.000 1000.000 !  2.890  0.30/0.30:
1:PUR_5B:H1'      1:PUR_5B:H3'   2.278  4.230    25.000   25.000 1000.000 !  3.254  0.30/0.30:
1:PUR_5B:H1'      1:A_4B:H2  2.897  5.380    25.000   25.000 1000.000 !  4.138  0.30/0.30:
1:PUR_5B:H2'      1:PUR_5B:H1'   2.079  3.861    25.000   25.000 1000.000 !  2.970  0.30/0.30:
1:PUR_5B:H2'      1:G_6B:H8  1.842  3.422    25.000   25.000 1000.000 !  2.632  0.30/0.30:
!1:G_6B:H8         1:PUR_5B:H1'          3.735    6.000    25.000   25.000 1000.000 !  5.335  0.30/0.30:
1:G_6B:H8         1:G_6B:H3'  1.860  3.454    25.000   25.000 1000.000 !  2.657  0.30/0.30:
1:G_6B:H1'        1:G_6B:H8  2.958  5.494    25.000   25.000 1000.000 !  4.226  0.30/0.30:
1:G_6B:H1'        1:G_6B:H2'  1.953  3.627    25.000   25.000 1000.000 !  2.790  0.30/0.30:
1:G_6B:H1'        1:C_7B:H6  2.797  5.194    25.000   25.000 1000.000 !  3.995  0.30/0.30:
1:G_6B:H2'        1:C_7B:H6  1.807  3.357    25.000   25.000 1000.000 !  2.582  0.30/0.30:
1:G_6B:H2'        1:C_7B:H5  2.635  4.893    25.000   25.000 1000.000 !  3.764  0.30/0.30:
1:C_7B:H5         1:C_8B:H5  2.417  4.488    25.000   25.000 1000.000 !  3.452  0.30/0.30:
1:C_7B:H6         1:C_7B:H5  1.772  3.291    25.000   25.000 1000.000 !  2.531  0.30/0.30:
1:C_7B:H6         1:C_7B:H1'  2.272  4.219    25.000   25.000 1000.000 !  3.246  0.30/0.30:
1:C_7B:H2'        1:C_7B:H1'  1.907  3.541    25.000   25.000 1000.000 !  2.724  0.30/0.30:
1:C_7B:H2'        1:C_8B:H5  2.570  4.773    25.000   25.000 1000.000 !  3.671  0.30/0.30:
1:C_7B:H3'        1:C_7B:H6  1.913  3.552    25.000   25.000 1000.000 !  2.732  0.30/0.30:
1:C_7B:H3'        1:C_7B:H1'  2.409  4.474    25.000   25.000 1000.000 !  3.441  0.30/0.30:
1:C_8B:H6         1:C_7B:H2'  1.598  2.968    25.000   25.000 1000.000 !  2.283  0.30/0.30:
1:C_8B:H6         1:C_8B:H5  1.710  3.175    25.000   25.000 1000.000 !  2.443  0.30/0.30:
1:C_8B:H1'        1:C_8B:H6  2.658  4.936    25.000   25.000 1000.000 !  3.797  0.30/0.30:
1:C_8B:H2'        1:C_8B:H1'  1.811  3.364    25.000   25.000 1000.000 !  3.882  0.30/0.30:
1:U3'_9B:H5       1:C_8B:H2'            2.232  4.145    25.000   25.000 1000.000 !  3.188  0.30/0.30:
1:U3'_9B:H6       1:C_8B:H2'            1.752  3.254    25.000   25.000 1000.000 !  2.503  0.30/0.30:
1:U3'_9B:H6       1:U3'_9B:H5           1.743  3.236    25.000   25.000 1000.000 !  2.489  0.30/0.30:
1:U3'_9B:H6       1:U3'_9B:H3'          1.802  3.347    25.000   25.000 1000.000 !  2.575  0.30/0.30:
1:U3'_9B:H1'      1:U3'_9B:H6           3.136  5.824    25.000   25.000 1000.000 !  4.480  0.30/0.30:
1:U3'_9B:H2'      1:U3'_9B:H6           2.404  4.464    25.000   25.000 1000.000 !  3.434  0.30/0.30:
1:U3'_9B:H2'      1:U3'_9B:H1'          2.009  3.730    25.000   25.000 1000.000 !  2.869  0.30/0.30:
1:U3'_9B:H3'      1:U3'_9B:H1'          2.496  4.635    25.000   25.000 1000.000 !  3.565  0.30/0.30:
1:C_8B:H3'        1:C_8B:H6             1.990  3.700    25.000   25.000 1000.000 !  2.850  0.30/0.30:
1:C_8B:H3'        1:U3'_9B:H6           1.980  3.670    25.000   25.000 1000.000 !  2.830  0.30/0.30:
1:C_8B:H3'        1:C_8B:H1'            2.717  5.046    25.000   25.000 1000.000 !  3.882  0.30/0.30:
!**********************************************
!cross-strand
1:PUR_5:H2        1:A_4B:H2             3.207  5.955    25.000   25.000 1000.000 !  4.581  0.30/0.30:
1:PUR_5B:H2       1:A_4:H2              3.207  5.955    25.000   25.000 1000.000 !  4.581  0.30/0.30:
1:PUR_5:H6    1:A_4B:H2         2.632    4.888   25.000   25.000 1000.000 !  3.759  0.30/0.30:
1:PUR_5B:H6    1:A_4:H2         2.632    4.888   25.000   25.000 1000.000 !  3.759  0.30/0.30:
!**********************************************
!
!  DIHEDRAL RESTRAINTS
!**********************************************
!
! (From Mark who got them from Chen)
!
#NMR_dihedral
!alpha    P-O5'; first strand
!
1:G5'_1:O3'        1:G_2:P            1:G_2:O5'          1:G_2:C5'          -150.000 150.000 50.00 50.00 1000.000
1:G_2:O3'          1:C_3:P            1:C_3:O5'          1:C_3:C5'          -150.000 150.000 50.00 50.00 1000.000
1:C_3:O3'          1:A_4:P            1:A_4:O5'          1:A_4:C5'          -150.000 150.000 50.00 50.00 1000.000
1:A_4:O3'          1:PUR_5:P          1:PUR_5:O5'        1:PUR_5:C5'        -150.000 150.000 50.00 50.00 1000.000
1:PUR_5:O3'        1:G_6:P            1:G_6:O5'          1:G_6:C5'          -150.000 150.000 50.00 50.00 1000.000
1:G_6:O3'          1:C_7:P            1:C_7:O5'          1:C_7:C5'          -150.000 150.000 50.00 50.00 1000.000
1:C_7:O3'          1:C_8:P            1:C_8:O5'          1:C_8:C5'          -150.000 150.000 50.00 50.00 1000.000
1:C_8:O3'          1:U3'_9:P          1:U3'_9:O5'        1:U3'_9:C5'        -150.000 150.000 50.00 50.00 1000.000
!
!alpha     P-O5'; second strand
!
1:G5'_1B:O3'       1:G_2B:P           1:G_2B:O5'         1:G_2B:C5'         -150.000 150.000 50.00 50.00 1000.000
1:G_2B:O3'         1:C_3B:P           1:C_3B:O5'         1:C_3B:C5'         -150.000 150.000 50.00 50.00 1000.000
1:C_3B:O3'         1:A_4B:P           1:A_4B:O5'         1:A_4B:C5'         -150.000 150.000 50.00 50.00 1000.000
1:A_4B:O3'         1:PUR_5B:P         1:PUR_5B:O5'       1:PUR_5B:C5'       -150.000 150.000 50.00 50.00 1000.000
1:PUR_5B:O3'       1:G_6B:P           1:G_6B:O5'         1:G_6B:C5'         -150.000 150.000 50.00 50.00 1000.000
1:G_6B:O3'         1:C_7B:P           1:C_7B:O5'         1:C_7B:C5'         -150.000 150.000 50.00 50.00 1000.000
1:C_7B:O3'         1:C_8B:P           1:C_8B:O5'         1:C_8B:C5'         -150.000 150.000 50.00 50.00 1000.000
1:C_8B:O3'         1:U3'_9B:P         1:U3'_9B:O5'       1:U3'_9B:C5'       -150.000 150.000 50.00 50.00 1000.000
!
!beta      O5'-C5'; first strand
!
!
1:G_2:P            1:G_2:O5'          1:G_2:C5'          1:G_2:C4'          150.000 -150.000 50.00 50.00 1000.000
1:C_3:P            1:C_3:O5'          1:C_3:C5'          1:C_3:C4'          150.000 -150.000 50.00 50.00 1000.000
1:A_4:P            1:A_4:O5'          1:A_4:C5'          1:A_4:C4'          150.000 -150.000 50.00 50.00 1000.000
1:PUR_5:P          1:PUR_5:O5'        1:PUR_5:C5'        1:PUR_5:C4'        150.000 -150.000 50.00 50.00 1000.000
1:G_6:P            1:G_6:O5'          1:G_6:C5'          1:G_6:C4'          150.000 -150.000 50.00 50.00 1000.000
1:C_7:P            1:C_7:O5'          1:C_7:C5'          1:C_7:C4'          150.000 -150.000 50.00 50.00 1000.000
1:C_8:P            1:C_8:O5'          1:C_8:C5'          1:C_8:C4'          150.000 -150.000 50.00 50.00 1000.000
1:U3'_9:P          1:U3'_9:O5'        1:U3'_9:C5'        1:U3'_9:C4'        150.000 -150.000 50.00 50.00 1000.000
!
!beta      O5'-C5'; second strand
!
1:G_2B:P           1:G_2B:O5'         1:G_2B:C5'         1:G_2B:C4'         150.000 -150.000 50.00 50.00 1000.000
1:C_3B:P           1:C_3B:O5'         1:C_3B:C5'         1:C_3B:C4'         150.000 -150.000 50.00 50.00 1000.000
1:A_4B:P           1:A_4B:O5'         1:A_4B:C5'         1:A_4B:C4'         150.000 -150.000 50.00 50.00 1000.000
1:PUR_5B:P         1:PUR_5B:O5'       1:PUR_5B:C5'       1:PUR_5B:C4'       150.000 -150.000 50.00 50.00 1000.000
1:G_6B:P           1:G_6B:O5'         1:G_6B:C5'         1:G_6B:C4'         150.000 -150.000 50.00 50.00 1000.000
1:C_7B:P           1:C_7B:O5'         1:C_7B:C5'         1:C_7B:C4'         150.000 -150.000 50.00 50.00 1000.000
1:C_8B:P           1:C_8B:O5'         1:C_8B:C5'         1:C_8B:C4'         150.000 -150.000 50.00 50.00 1000.000
1:U3'_9B:P         1:U3'_9B:O5'       1:U3'_9B:C5'       1:U3'_9B:C4'       150.000 -150.000 50.00 50.00 1000.000
!
!gamma     C5'-C4'; first strand
!
!
1:G5'_1:O5'        1:G5'_1:C5'        1:G5'_1:C4'        1:G5'_1:C3'        30.000 90.000 50.00 50.00 1000.000
1:G_2:O5'          1:G_2:C5'          1:G_2:C4'          1:G_2:C3'          30.000 90.000 50.00 50.00 1000.000
1:C_3:O5'          1:C_3:C5'          1:C_3:C4'          1:C_3:C3'          30.000 90.000 50.00 50.00 1000.000
1:A_4:O5'          1:A_4:C5'          1:A_4:C4'          1:A_4:C3'          30.000 90.000 50.00 50.00 1000.000
1:PUR_5:O5'        1:PUR_5:C5'        1:PUR_5:C4'        1:PUR_5:C3'        30.000 90.000 50.00 50.00 1000.000
1:G_6:O5'          1:G_6:C5'          1:G_6:C4'          1:G_6:C3'          30.000 90.000 50.00 50.00 1000.000
1:C_7:O5'          1:C_7:C5'          1:C_7:C4'          1:C_7:C3'          30.000 90.000 50.00 50.00 1000.000
1:C_8:O5'          1:C_8:C5'          1:C_8:C4'          1:C_8:C3'          30.000 90.000 50.00 50.00 1000.000
1:U3'_9:O5'        1:U3'_9:C5'        1:U3'_9:C4'        1:U3'_9:C3'        30.000 90.000 50.00 50.00 1000.000
!
!gamma     C5'-C4'; second strand
!
1:G5'_1B:O5'       1:G5'_1B:C5'       1:G5'_1B:C4'       1:G5'_1B:C3'       30.000 90.000 50.00 50.00 1000.000
1:G_2B:O5'         1:G_2B:C5'         1:G_2B:C4'         1:G_2B:C3'         30.000 90.000 50.00 50.00 1000.000
1:C_3B:O5'         1:C_3B:C5'         1:C_3B:C4'         1:C_3B:C3'         30.000 90.000 50.00 50.00 1000.000
1:A_4B:O5'         1:A_4B:C5'         1:A_4B:C4'         1:A_4B:C3'          30.000 90.000 50.00 50.00 1000.000
1:PUR_5B:O5'       1:PUR_5B:C5'       1:PUR_5B:C4'       1:PUR_5B:C3'        30.000 90.000 50.00 50.00 1000.000
1:G_6B:O5'         1:G_6B:C5'         1:G_6B:C4'         1:G_6B:C3'         30.000 90.000 50.00 50.00 1000.000
1:C_7B:O5'         1:C_7B:C5'         1:C_7B:C4'         1:C_7B:C3'         30.000 90.000 50.00 50.00 1000.000
1:C_8B:O5'         1:C_8B:C5'         1:C_8B:C4'         1:C_8B:C3'         30.000 90.000 50.00 50.00 1000.000
1:U3'_9B:O5'       1:U3'_9B:C5'       1:U3'_9B:C4'       1:U3'_9B:C3'       30.000 90.000 50.00 50.00 1000.000
!
!delta     C4'-C3'; first strand
!
!
1:G5'_1:C5'        1:G5'_1:C4'        1:G5'_1:C3'        1:G5'_1:O3'        70.000 110.000 50.00 50.00 1000.000
1:G_2:C5'          1:G_2:C4'          1:G_2:C3'          1:G_2:O3'          70.000 110.000 50.00 50.00 1000.000
1:C_3:C5'          1:C_3:C4'          1:C_3:C3'          1:C_3:O3'          70.000 110.000 50.00 50.00 1000.000
1:A_4:C5'          1:A_4:C4'          1:A_4:C3'          1:A_4:O3'          70.000 110.000 50.00 50.00 1000.000
1:PUR_5:C5'    1:PUR_5:C4'       1:PUR_5:C3'        1:PUR_5:O3'        70.000 110.000 50.00 50.00 1000.000
1:G_6:C5'          1:G_6:C4'          1:G_6:C3'          1:G_6:O3'          70.000 110.000 50.00 50.00 1000.000
1:C_7:C5'          1:C_7:C4'          1:C_7:C3'          1:C_7:O3'          70.000 110.000 50.00 50.00 1000.000
1:C_8:C5'          1:C_8:C4'          1:C_8:C3'          1:C_8:O3'          70.000 110.000 50.00 50.00 1000.000
1:U3'_9:C5'        1:U3'_9:C4'        1:U3'_9:C3'        1:U3'_9:O3'        70.000 110.000 50.00 50.00 1000.000
!
!delta     C4'-C3'; second strand
!
1:G5'_1B:C5'       1:G5'_1B:C4'       1:G5'_1B:C3'       1:G5'_1B:O3'       70.000 110.000 50.00 50.00 1000.000
1:G_2B:C5'         1:G_2B:C4'         1:G_2B:C3'         1:G_2B:O3'         70.000 110.000 50.00 50.00 1000.000
1:C_3B:C5'         1:C_3B:C4'         1:C_3B:C3'         1:C_3B:O3'         70.000 110.000 50.00 50.00 1000.000
1:A_4B:C5'         1:A_4B:C4'         1:A_4B:C3'         1:A_4B:O3'         70.000 110.000 50.00 50.00 1000.000
1:PUR_5B:C5'    1:PUR_5B:C4'       1:PUR_5B:C3'       1:PUR_5B:O3'       70.000 110.000 50.00 50.00 1000.000
1:G_6B:C5'         1:G_6B:C4'         1:G_6B:C3'         1:G_6B:O3'         70.000 110.000 50.00 50.00 1000.000
1:C_7B:C5'         1:C_7B:C4'         1:C_7B:C3'         1:C_7B:O3'         70.000 110.000 50.00 50.00 1000.000
1:C_8B:C5'         1:C_8B:C4'         1:C_8B:C3'         1:C_8B:O3'         70.000 110.000 50.00 50.00 1000.000
1:U3'_9B:C5'       1:U3'_9B:C4'       1:U3'_9B:C3'       1:U3'_9B:O3'       70.000 110.000 50.00 50.00 1000.000
!
!epsilon   C3'-O3'; first strand
!
!
1:G5'_1:C4'        1:G5'_1:C3'        1:G5'_1:O3'        1:G_2:P            -170.000 -100.000 50.00 50.00 1000.000
1:G_2:C4'          1:G_2:C3'          1:G_2:O3'          1:C_3:P            -170.000 -100.000 50.00 50.00 1000.000
1:C_3:C4'          1:C_3:C3'          1:C_3:O3'          1:A_4:P            -170.000 -100.000 50.00 50.00 1000.000
1:A_4:C4'          1:A_4:C3'       1:A_4:O3'          1:PUR_5:P          -170.000 -100.000 50.00 50.00 1000.000
1:PUR_5:C4'        1:PUR_5:C3'        1:PUR_5:O3'        1:G_6:P            -170.000 -100.000 50.00 50.00 1000.000
1:G_6:C4'          1:G_6:C3'          1:G_6:O3'          1:C_7:P            -170.000 -100.000 50.00 50.00 1000.000
1:C_7:C4'          1:C_7:C3'          1:C_7:O3'          1:C_8:P            -170.000 -100.000 50.00 50.00 1000.000
1:C_8:C4'          1:C_8:C3'          1:C_8:O3'          1:U3'_9:P          -170.000 -100.000 50.00 50.00 1000.000  
!
!epsilon   C3'-O3'; second strand
!
1:G5'_1B:C4'       1:G5'_1B:C3'       1:G5'_1B:O3'       1:G_2B:P           -170.000 -100.000 50.00 50.00 1000.000
1:G_2B:C4'         1:G_2B:C3'         1:G_2B:O3'         1:C_3B:P           -170.000 -100.000 50.00 50.00 1000.000
1:C_3B:C4'         1:C_3B:C3'         1:C_3B:O3'         1:A_4B:P           -170.000 -100.000 50.00 50.00 1000.000
1:A_4B:C4'         1:A_4B:C3'       1:A_4B:O3'         1:PUR_5B:P         -170.000 -100.000 50.00 50.00 1000.000
1:PUR_5B:C4'       1:PUR_5B:C3'       1:PUR_5B:O3'       1:G_6B:P           -170.000 -100.000 50.00 50.00 1000.000
1:G_6B:C4'         1:G_6B:C3'         1:G_6B:O3'         1:C_7B:P           -170.000 -100.000 50.00 50.00 1000.000
1:C_7B:C4'         1:C_7B:C3'         1:C_7B:O3'         1:C_8B:P           -170.000 -100.000 50.00 50.00 1000.000
1:C_8B:C4'         1:C_8B:C3'         1:C_8B:O3'         1:U3'_9B:P         -170.000 -100.000 50.00 50.00 1000.000   
!
!zeta      O3'-P; first strand
!
!
1:G5'_1:C3'        1:G5'_1:O3'        1:G_2:P            1:G_2:O5'          -150.000 150.000 50.00 50.00 1000.000
1:G_2:C3'          1:G_2:O3'          1:C_3:P            1:C_3:O5'          -150.000 150.000 50.00 50.00 1000.000
1:C_3:C3'          1:C_3:O3'          1:A_4:P            1:A_4:O5'          -150.000 150.000 50.00 50.00 1000.000
1:A_4:C3'          1:A_4:O3'          1:PUR_5:P          1:PUR_5:O5'        -150.000 150.000 50.00 50.00 1000.000
1:PUR_5:C3'        1:PUR_5:O3'        1:G_6:P            1:G_6:O5'          -150.000 150.000 50.00 50.00 1000.000
1:G_6:C3'          1:G_6:O3'          1:C_7:P            1:C_7:O5'          -150.000 150.000 50.00 50.00 1000.000
1:C_7:C3'          1:C_7:O3'          1:C_8:P            1:C_8:O5'          -150.000 150.000 50.00 50.00 1000.000
1:C_8:C3'          1:C_8:O3'          1:U3'_9:P          1:U3'_9:O5'        -150.000 150.000 50.00 50.00 1000.000
!
!zeta       O3'-P; second strand
!
1:G5'_1B:C3'       1:G5'_1B:O3'       1:G_2B:P           1:G_2B:O5'         -150.000 150.000 50.00 50.00 1000.000
1:G_2B:C3'         1:G_2B:O3'         1:C_3B:P           1:C_3B:O5'         -150.000 150.000 50.00 50.00 1000.000
1:C_3B:C3'         1:C_3B:O3'         1:A_4B:P           1:A_4B:O5'         -150.000 150.000 50.00 50.00 1000.000
1:A_4B:C3'         1:A_4B:O3'         1:PUR_5B:P         1:PUR_5B:O5'       -150.000 150.000 50.00 50.00 1000.000
1:PUR_5B:C3'       1:PUR_5B:O3'       1:G_6B:P           1:G_6B:O5'         -150.000 150.000 50.00 50.00 1000.000
1:G_6B:C3'         1:G_6B:O3'         1:C_7B:P           1:C_7B:O5'         -150.000 150.000 50.00 50.00 1000.000
1:C_7B:C3'         1:C_7B:O3'         1:C_8B:P           1:C_8B:O5'         -150.000 150.000 50.00 50.00 1000.000
1:C_8B:C3'         1:C_8B:O3'         1:U3'_9B:P         1:U3'_9B:O5'       -150.000 150.000 50.00 50.00 1000.000
!
!chi        Glycosidic torsions; strand 1
!
!
1:G5'_1:O4'        1:G5'_1:C1'        1:G5'_1:N9         1:G5'_1:C4         150.000 -150.000 50.00 50.00 1000.000
1:G_2:O4'          1:G_2:C1'          1:G_2:N9           1:G_2:C4           150.000 -150.000 50.00 50.00 1000.000
1:C_3:O4'          1:C_3:C1'          1:C_3:N1           1:C_3:C2           150.000 -150.000 50.00 50.00 1000.000
1:A_4:O4'          1:A_4:C1'          1:A_4:N9           1:A_4:C4           150.000 -150.000 50.00 50.00 1000.000
1:PUR_5:O4'        1:PUR_5:C1'        1:PUR_5:N9         1:PUR_5:C4         150.000 -150.000 50.00 50.00 1000.000
1:G_6:O4'          1:G_6:C1'          1:G_6:N9           1:G_6:C4           150.000 -150.000 50.00 50.00 1000.000
1:C_7:O4'          1:C_7:C1'          1:C_7:N1           1:C_7:C2           150.000 -150.000 50.00 50.00 1000.000
1:C_8:O4'          1:C_8:C1'          1:C_8:N1           1:C_8:C2           150.000 -150.000 50.00 50.00 1000.000
1:U3'_9:O4'        1:U3'_9:C1'        1:U3'_9:N1         1:U3'_9:C2         150.000 -150.000 50.00 50.00 1000.000
!
!chi         Glycosidic torsions; strand 2
!
1:G5'_1B:O4'       1:G5'_1B:C1'       1:G5'_1B:N9        1:G5'_1B:C4        150.000 -150.000 50.00 50.00 1000.000
1:G_2B:O4'         1:G_2B:C1'         1:G_2B:N9          1:G_2B:C4          150.000 -150.000 50.00 50.00 1000.000
1:C_3B:O4'         1:C_3B:C1'         1:C_3B:N1          1:C_3B:C2          150.000 -150.000 50.00 50.00 1000.000
1:A_4B:O4'         1:A_4B:C1'         1:A_4B:N9          1:A_4B:C4          150.000 -150.000 50.00 50.00 1000.000
1:PUR_5B:O4'       1:PUR_5B:C1'       1:PUR_5B:N9        1:PUR_5B:C4        150.000 -150.000 50.00 50.00 1000.000
1:G_6B:O4'         1:G_6B:C1'         1:G_6B:N9          1:G_6B:C4          150.000 -150.000 50.00 50.00 1000.000
1:C_7B:O4'         1:C_7B:C1'         1:C_7B:N1          1:C_7B:C2          150.000 -150.000 50.00 50.00 1000.000
1:C_8B:O4'         1:C_8B:C1'         1:C_8B:N1          1:C_8B:C2          150.000 -150.000 50.00 50.00 1000.000
1:U3'_9B:O4'       1:U3'_9B:C1'       1:U3'_9B:N1        1:U3'_9B:C2        150.000 -150.000 50.00 50.00 1000.000

  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          1H5'        G   1  11.286  -5.738  -8.132
    2   2H5*    G   1          2H5'        G   1  11.293  -5.267  -6.423
    3    H4*    G   1           H4'        G   1  12.129  -3.455  -7.855
    4    H3*    G   1           H3'        G   1   9.433  -2.866  -6.590
    5    H2*    G   1           H2'        G   1   9.830  -0.588  -7.342
    6   2HO*    G   1          HO2'        G   1  12.201  -0.793  -6.935
    7    H1*    G   1           H1'        G   1  10.590  -1.396  -9.852
    8    H8     G   1           H8         G   1   7.898  -3.849  -9.179
    9    H1     G   1           H1         G   1   5.517   2.102  -9.681
   10   1H2     G   1          1H2         G   1   8.876   3.056  -9.573
   11   2H2     G   1          2H2         G   1   7.193   3.588  -9.631
   12    H5T    G   1           H5'        G   1   9.066  -5.358  -8.176
   13   1H5*    G   2          1H5'        G   2  12.084   0.266  -5.412
   14   2H5*    G   2          2H5'        G   2  11.826   0.710  -3.717
   15    H4*    G   2           H4'        G   2  11.642   2.634  -5.307
   16    H3*    G   2           H3'        G   2   9.185   1.866  -3.712
   17    H2*    G   2           H2'        G   2   8.184   3.909  -4.556
   18   2HO*    G   2          HO2'        G   2  10.391   4.990  -4.527
   19    H1*    G   2           H1'        G   2   8.931   3.424  -7.129
   20    H8     G   2           H8         G   2   8.179  -0.052  -6.009
   21    H1     G   2           H1         G   2   2.901   3.572  -6.663
   22   1H2     G   2          1H2         G   2   5.189   6.212  -6.493
   23   2H2     G   2          2H2         G   2   3.487   5.752  -6.597
   24   1H5*    C   3          1H5'        C   3   9.455   6.039  -3.174
   25   2H5*    C   3          2H5'        C   3   9.429   6.386  -1.439
   26    H4*    C   3           H4'        C   3   7.734   7.710  -2.593
   27    H3*    C   3           H3'        C   3   6.648   5.492  -0.837
   28    H2*    C   3           H2'        C   3   4.499   6.519  -1.138
   29   2HO*    C   3          HO2'        C   3   5.089   8.704  -1.023
   30    H1*    C   3           H1'        C   3   4.857   6.917  -3.834
   31   1H4     C   3          1H4         C   3   3.187   0.542  -3.416
   32   2H4     C   3          2H4         C   3   1.704   1.457  -3.655
   33    H5     C   3           H5         C   3   5.339   1.648  -2.964
   34    H6     C   3           H6         C   3   6.450   3.785  -2.829
   35   1H5*    A   4          1H5'        A   4   5.215   9.276   0.935
   36   2H5*    A   4          2H5'        A   4   5.029   9.038   2.686
   37    H4*    A   4           H4'        A   4   2.878   9.627   1.573
   38    H3*    A   4           H3'        A   4   3.092   6.854   2.756
   39    H2*    A   4           H2'        A   4   0.816   6.517   2.212
   40   2HO*    A   4          HO2'        A   4  -0.025   8.563   2.785
   41    H1*    A   4           H1'        A   4   0.970   7.653  -0.283
   42    H8     A   4           H8         A   4   3.971   5.414   0.770
   43   1H6     A   4          1H6         A   4   0.277   0.710  -0.939
   44   2H6     A   4          2H6         A   4   1.913   1.125  -0.427
   45    H2     A   4           H2         A   4  -2.073   4.437  -1.137
   46    H2   P5P   5           H2         P   5  -6.616   4.128   1.335
   47    H6   P5P   5           H6         P   5  -3.014   2.059   1.211
   48    H8   P5P   5           H8         P   5  -0.809   6.021   3.317
   49    H1'  P5P   5           H1'        P   5  -4.071   7.850   2.550
   50    H2'  P5P   5           H2'        P   5  -4.419   6.294   4.760
   51    H3'  P5P   5           H3'        P   5  -2.136   6.621   5.533
   52    H4'  P5P   5           H4'        P   5  -2.642   9.569   5.027
   53   1H5'  P5P   5          1H5'        P   5  -0.242   9.723   4.625
   54   2H5'  P5P   5          2H5'        P   5  -0.555   9.070   6.244
   55   'HO2  P5P   5          HO2'        P   5  -5.036   8.469   5.746
   56   1H5*    G   6          1H5'        G   6  -5.997   6.876   6.712
   57   2H5*    G   6          2H5'        G   6  -6.224   6.138   8.305
   58    H4*    G   6           H4'        G   6  -7.697   5.135   6.595
   59    H3*    G   6           H3'        G   6  -5.549   3.354   7.771
   60    H2*    G   6           H2'        G   6  -6.618   1.523   6.618
   61   2HO*    G   6          HO2'        G   6  -8.800   2.561   7.036
   62    H1*    G   6           H1'        G   6  -6.902   2.879   4.263
   63    H8     G   6           H8         G   6  -3.595   4.105   5.520
   64    H1     G   6           H1         G   6  -3.291  -1.893   3.212
   65   1H2     G   6          1H2         G   6  -6.754  -1.828   3.571
   66   2H2     G   6          2H2         G   6  -5.334  -2.791   3.172
   67   1H5*    C   7          1H5'        C   7  -9.051   1.163   8.429
   68   2H5*    C   7          2H5'        C   7  -9.070   0.481  10.066
   69    H4*    C   7           H4'        C   7  -9.220  -1.292   8.372
   70    H3*    C   7           H3'        C   7  -6.590  -1.202   9.881
   71    H2*    C   7           H2'        C   7  -6.105  -3.324   8.829
   72   2HO*    C   7          HO2'        C   7  -8.419  -3.995   8.965
   73    H1*    C   7           H1'        C   7  -6.930  -2.486   6.357
   74   1H4     C   7          1H4         C   7  -0.926   0.208   6.969
   75   2H4     C   7          2H4         C   7  -0.712  -1.409   6.307
   76    H5     C   7           H5         C   7  -3.103   0.950   7.887
   77    H6     C   7           H6         C   7  -5.432   0.363   8.103
   78   1H5*    C   8          1H5'        C   8  -8.134  -5.187  10.441
   79   2H5*    C   8          2H5'        C   8  -7.810  -5.728  12.098
   80    H4*    C   8           H4'        C   8  -6.853  -7.266  10.411
   81    H3*    C   8           H3'        C   8  -4.845  -5.734  12.093
   82    H2*    C   8           H2'        C   8  -3.172  -7.160  11.114
   83   2HO*    C   8          HO2'        C   8  -4.809  -9.009  11.119
   84    H1*    C   8           H1'        C   8  -4.197  -6.953   8.569
   85   1H4     C   8          1H4         C   8  -0.581  -1.488   9.556
   86   2H4     C   8          2H4         C   8   0.479  -2.744   8.916
   87    H5     C   8           H5         C   8  -2.934  -1.994  10.186
   88    H6     C   8           H6         C   8  -4.596  -3.747  10.287
   89   1H5*    U   9          1H5'        U   9  -3.356  -9.578  12.496
   90   2H5*    U   9          2H5'        U   9  -2.943  -9.880  14.193
   91    H4*    U   9           H4'        U   9  -0.972 -10.118  12.724
   92    H3*    U   9           H3'        U   9  -0.912  -7.755  14.635
   93    H2*    U   9           H2'        U   9   1.346  -7.404  13.954
   94   2HO*    U   9          HO2'        U   9   2.444  -8.930  12.649
   95    H1*    U   9           H1'        U   9   0.849  -7.908  11.257
   96    H3     U   9           H3         U   9   2.000  -3.498  11.675
   97    H5     U   9           H5         U   9  -1.984  -3.658  12.998
   98    H6     U   9           H6         U   9  -1.911  -6.066  12.811
   99    H3T    U   9          HO3'        U   9   0.618 -10.098  14.752
  100   1H5*    G   1          1H5'        G   1   9.761  -7.217   6.655
  101   2H5*    G   1          2H5'        G   1   9.360  -7.533   4.961
  102    H4*    G   1           H4'        G   1   8.314  -9.218   6.330
  103    H3*    G   1           H3'        G   1   6.320  -7.192   5.284
  104    H2*    G   1           H2'        G   1   4.591  -8.591   6.199
  105   2HO*    G   1          HO2'        G   1   5.913 -10.586   5.694
  106    H1*    G   1           H1'        G   1   5.796  -8.844   8.622
  107    H8     G   1           H8         G   1   6.950  -5.423   7.864
  108    H1     G   1           H1         G   1   0.569  -5.561   8.662
  109   1H2     G   1          1H2         G   1   1.004  -9.027   8.532
  110   2H2     G   1          2H2         G   1  -0.142  -7.689   8.657
  111    H5T    G   1           H5'        G   1   7.913  -5.837   5.000
  112   1H5*    G   2          1H5'        G   2   4.572 -10.825   4.289
  113   2H5*    G   2          2H5'        G   2   4.020 -10.826   2.604
  114    H4*    G   2           H4'        G   2   2.199 -11.355   4.223
  115    H3*    G   2           H3'        G   2   1.956  -8.790   2.637
  116    H2*    G   2           H2'        G   2  -0.277  -8.605   3.508
  117   2HO*    G   2          HO2'        G   2  -1.230 -10.207   4.731
  118    H1*    G   2           H1'        G   2   0.496  -9.161   6.080
  119    H8     G   2           H8         G   2   3.364  -7.100   4.869
  120    H1     G   2           H1         G   2  -2.016  -3.702   5.858
  121   1H2     G   2          1H2         G   2  -3.537  -6.850   5.743
  122   2H2     G   2          2H2         G   2  -3.782  -5.110   5.895
  123   1H5*    C   3          1H5'        C   3  -1.774 -10.689   2.164
  124   2H5*    C   3          2H5'        C   3  -2.165 -10.768   0.441
  125    H4*    C   3           H4'        C   3  -4.016  -9.747   1.666
  126    H3*    C   3           H3'        C   3  -2.434  -7.856  -0.092
  127    H2*    C   3           H2'        C   3  -4.151  -6.254   0.292
  128   2HO*    C   3          HO2'        C   3  -6.057  -7.288   0.220
  129    H1*    C   3           H1'        C   3  -4.388  -6.842   2.978
  130   1H4     C   3          1H4         C   3   0.766  -2.709   2.383
  131   2H4     C   3          2H4         C   3  -0.653  -1.748   2.786
  132    H5     C   3           H5         C   3   0.595  -5.116   1.873
  133    H6     C   3           H6         C   3  -0.916  -6.998   1.793
  134   1H5*    A   4          1H5'        A   4  -6.706  -8.233  -1.550
  135   2H5*    A   4          2H5'        A   4  -6.706  -7.974  -3.308
  136    H4*    A   4           H4'        A   4  -8.246  -6.419  -2.151
  137    H3*    A   4           H3'        A   4  -5.802  -5.149  -3.413
  138    H2*    A   4           H2'        A   4  -6.841  -3.027  -2.908
  139   2HO*    A   4          HO2'        A   4  -9.014  -3.726  -3.370
  140    H1*    A   4           H1'        A   4  -7.467  -3.723  -0.352
  141    H8     A   4           H8         A   4  -4.115  -5.181  -1.684
  142   1H6     A   4          1H6         A   4  -1.631  -0.009   0.692
  143   2H6     A   4          2H6         A   4  -1.260  -1.594   0.014
  144    H2     A   4           H2         A   4  -6.003   0.446   0.778
  145    H2   P5P   5           H2         P   5  -5.195   3.902  -1.636
  146    H6   P5P   5           H6         P   5  -2.232   1.048  -2.199
  147    H8   P5P   5           H8         P   5  -5.679  -1.931  -4.287
  148    H1'  P5P   5           H1'        P   5  -8.191   0.716  -3.017
  149    H2'  P5P   5           H2'        P   5  -6.921   1.552  -5.293
  150    H3'  P5P   5           H3'        P   5  -6.862  -0.681  -6.227
  151    H4'  P5P   5           H4'        P   5  -9.792  -0.833  -5.475
  152   1H5'  P5P   5          1H5'        P   5  -9.428  -3.229  -5.287
  153   2H5'  P5P   5          2H5'        P   5  -8.943  -2.693  -6.907
  154   'HO2  P5P   5          HO2'        P   5  -8.808   2.486  -4.545
  155   1H5*    G   6          1H5'        G   6  -8.527   3.060  -7.175
  156   2H5*    G   6          2H5'        G   6  -7.941   3.652  -8.734
  157    H4*    G   6           H4'        G   6  -7.577   5.275  -6.890
  158    H3*    G   6           H3'        G   6  -5.126   4.110  -8.231
  159    H2*    G   6           H2'        G   6  -3.844   5.745  -6.996
  160   2HO*    G   6          HO2'        G   6  -5.686   7.345  -7.236
  161    H1*    G   6           H1'        G   6  -5.129   5.278  -4.630
  162    H8     G   6           H8         G   6  -4.903   1.873  -6.208
  163    H1     G   6           H1         G   6   0.716   3.886  -3.806
  164   1H2     G   6          1H2         G   6  -0.779   7.030  -3.902
  165   2H2     G   6          2H2         G   6   0.696   6.110  -3.610
  166   1H5*    C   7          1H5'        C   7  -4.486   8.243  -8.550
  167   2H5*    C   7          2H5'        C   7  -3.923   8.650 -10.182
  168    H4*    C   7           H4'        C   7  -2.283   9.358  -8.492
  169    H3*    C   7           H3'        C   7  -1.411   7.008 -10.194
  170    H2*    C   7           H2'        C   7   0.766   7.310  -9.228
  171   2HO*    C   7          HO2'        C   7   1.283   9.031  -7.925
  172    H1*    C   7           H1'        C   7  -0.232   7.587  -6.675
  173   1H4     C   7          1H4         C   7  -0.291   1.074  -7.765
  174   2H4     C   7          2H4         C   7   1.303   1.487  -7.141
  175    H5     C   7           H5         C   7  -1.890   2.821  -8.485
  176    H6     C   7           H6         C   7  -2.306   5.198  -8.506
  177   1H5*    C   8          1H5'        C   8   1.566   9.996 -10.577
  178   2H5*    C   8          2H5'        C   8   2.156  10.116 -12.244
  179    H4*    C   8           H4'        C   8   4.001   9.713 -10.658
  180    H3*    C   8           H3'        C   8   3.382   7.420 -12.547
  181    H2*    C   8           H2'        C   8   5.412   6.409 -11.735
  182   2HO*    C   8          HO2'        C   8   6.414   8.654 -11.545
  183    H1*    C   8           H1'        C   8   4.873   6.975  -9.105
  184   1H4     C   8          1H4         C   8   1.262   1.596 -10.410
  185   2H4     C   8          2H4         C   8   2.869   1.074  -9.903
  186    H5     C   8           H5         C   8   0.767   4.001 -10.821
  187    H6     C   8           H6         C   8   1.713   6.224 -10.781
  188   1H5*    U   9          1H5'        U   9   7.450   7.682 -13.077
  189   2H5*    U   9          2H5'        U   9   7.838   7.612 -14.804
  190    H4*    U   9           H4'        U   9   8.926   5.780 -13.595
  191    H3*    U   9           H3'        U   9   6.677   4.921 -15.445
  192    H2*    U   9           H2'        U   9   7.354   2.661 -15.022
  193   2HO*    U   9          HO2'        U   9   9.707   3.467 -14.946
  194    H1*    U   9           H1'        U   9   7.716   3.047 -12.309
  195    H3     U   9           H3         U   9   4.073   0.320 -12.776
  196    H5     U   9           H5         U   9   2.621   4.136 -13.765
  197    H6     U   9           H6         U   9   4.871   4.997 -13.582
  198    H3T    U   9          HO3'        U   9   8.381   4.598 -16.856