*HEADER    DNA/RNA                                 30-JAN-03   1NTQ              
*TITLE     5'(DCCUCCUU)3':3'(RAGGAGGAAA)5'                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-R(*AP*AP*AP*GP*GP*AP*GP*GP*A)-3';                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: 5'-D(*CP*CP*UP*CP*CP*UP*U)-3';                             
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 MOL_ID: 2;                                                           
*SOURCE   4 SYNTHETIC: YES                                                       
*KEYWDS    DNA, RNA, HYBRID, PROPYNYL                                            
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    B.M.ZNOSKO, T.W.BARNES III, T.R.KRUGH, D.H.TURNER                     
*REVDAT   1   10-JUN-03 1NTQ    0                                                

!BIOSYM restraint 1
!
!  See Table S2 of Supporting Information for an Experimental Distance Restraint table for ODN:RNA, PrODN:RNA, and sPrODN1:RNA.
!
!#distance
!
!Hydrogen bonding distances (based on Theoretical numbers and observed NOEs between
!exchangeable protons on 1D and 2D NOESY spectra
!
1:A_3:N1      	   1:U3'_7B:H3            1.800    2.500    50.000   50.000 1000.000	 !Hbond
1:A_3:H61      	   1:U3'_7B:O4            1.800    2.500    50.000   50.000 1000.000	 !Hbond
1:A_4:N1      	   1:U_6B:H3              1.800    2.500    50.000   50.000 1000.000	 !Hbond
1:A_4:H61      	   1:U_6B:O4              1.800    2.500    50.000   50.000 1000.000	 !Hbond
1:G_5:H1           1:C_5B:N3              1.800    2.500    50.000   50.000 1000.000	 !Hbond
1:G_5:O6           1:C_5B:H42             1.800    2.500    50.000   50.000 1000.000	 !Hbond
1:G_5:H22	   1:C_5B:O2              1.800    2.500    50.000   50.000 1000.000	 !Hbond
1:G_6:H1           1:C_4B:N3              1.800    2.500    50.000   50.000 1000.000	 !Hbond
1:G_6:O6           1:C_4B:H42             1.800    2.500    50.000   50.000 1000.000	 !Hbond
1:G_6:H22          1:C_4B:O2              1.800    2.500    50.000   50.000 1000.000	 !Hbond
1:A_7:N1      	   1:U_3B:H3              1.800    2.500    50.000   50.000 1000.000	 !Hbond
1:A_7:H61      	   1:U_3B:O4              1.800    2.500    50.000   50.000 1000.000	 !Hbond
1:G_8:H1           1:C_2B:N3              1.800    2.500    50.000   50.000 1000.000	 !Hbond
1:G_8:O6           1:C_2B:H42             1.800    2.500    50.000   50.000 1000.000	 !Hbond
1:G_8:H22	   1:C_2B:O2              1.800    2.500    50.000   50.000 1000.000	 !Hbond
1:G_9:H1           1:C5'_1B:N3            1.800    2.500    50.000   50.000 1000.000	 !Hbond
1:G_9:O6           1:C5'_1B:H42           1.800    2.500    50.000   50.000 1000.000	 !Hbond
1:G_9:H22          1:C5'_1B:O2            1.800    2.500    50.000   50.000 1000.000	 !Hbond
!
!************	
!
!STRANDS 1 & 2 TOGETHER
!
1:C5'_1B:H6       1:C5'_1B:H5         1.505    3.512    25.000   25.000 1000.000 !  2.508  0.40/0.40:      
1:U5'_1:H6        1:U5'_1:H5          1.774    4.139    25.000   25.000 1000.000 !  2.956  0.40/0.40:      
1:C5'_1B:H6       1:C5'_1B:H1'        2.175    5.076    25.000   25.000 1000.000 !  3.626  0.40/0.40:      
1:C5'_1B:H3'      1:C5'_1B:H6         2.352    5.487    25.000   25.000 1000.000 !  3.919  0.40/0.40:      
1:C5'_1B:H3'      1:C5'_1B:H2'1       1.964    4.582    25.000   25.000 1000.000 !  3.273  0.40/0.40:      
1:C5'_1B:H4'      1:C5'_1B:H1'        1.940    4.526    25.000   25.000 1000.000 !  3.233  0.40/0.40:      
1:A_2:H2          1:A_3:H1'           2.264    5.282    25.000   25.000 1000.000 !  3.773  0.40/0.40:      
1:C_2B:H6         1:C5'_1B:H2'1       1.451    3.386    25.000   25.000 1000.000 !  2.419  0.40/0.40:      
1:C_2B:H6         1:C5'_1B:H3'        2.438    5.689    25.000   25.000 1000.000 !  4.063  0.40/0.40:      
1:C_2B:H6         1:C_2B:H5           1.518    3.543    25.000   25.000 1000.000 !  2.531  0.40/0.40:      
1:C_2B:H6         1:C_2B:H1'          1.946    4.540    25.000   25.000 1000.000 !  3.243  0.40/0.40:      
1:C_2B:H6         1:C_2B:H4'          2.075    4.843    25.000   25.000 1000.000 !  3.459  0.40/0.40:      
1:A_2:H8          1:A_2:H1'           2.092    4.882    25.000   25.000 1000.000 !  3.487  0.40/0.40:      
1:C_2B:H1'        1:C_2B:H2'1         1.986    4.635    25.000   25.000 1000.000 !  3.311  0.40/0.40:      
1:A_2:H1'         1:A_2:H2'           2.231    5.205    25.000   25.000 1000.000 !  3.718  0.40/0.40:      
1:C_2B:H1'        1:C_2B:H4'          1.908    4.452    25.000   25.000 1000.000 !  3.180  0.40/0.40:      
1:A_2:H1'         1:A_2:H4'           2.252    5.254    25.000   25.000 1000.000 !  3.753  0.40/0.40:      
1:C_2B:H3'        1:C_2B:H6           2.101    4.902    25.000   25.000 1000.000 !  3.501  0.40/0.40:      
1:C_2B:H3'        1:C_2B:H2'1         2.082    4.859    25.000   25.000 1000.000 !  3.470  0.40/0.40:      
1:U_3B:H5         1:C_2B:H3'          2.318    5.408    25.000   25.000 1000.000 !  3.863  0.40/0.40:      
1:U_3B:H5         1:C_2B:H2'1         1.884    4.397    25.000   25.000 1000.000 !  3.141  0.40/0.40:      
1:U_3B:H6         1:C_2B:H1'          2.037    4.754    25.000   25.000 1000.000 !  3.396  0.40/0.40:      
1:U_3B:H6         1:C_2B:H2'2         1.981    4.623    25.000   25.000 1000.000 !  3.302  0.40/0.40:      
1:U_3B:H6         1:C_2B:H3'          2.592    6.000    25.000   25.000 1000.000 !  4.321  0.40/0.40:      
1:U_3B:H6         1:U_3B:H5           1.485    3.464    25.000   25.000 1000.000 !  2.474  0.40/0.40:      
1:U_3B:H6         1:C_2B:H2'1         1.481    3.455    25.000   25.000 1000.000 !  2.468  0.40/0.40:      
1:U_3B:H6         1:U_3B:H3'          2.021    4.716    25.000   25.000 1000.000 !  3.369  0.40/0.40:      
1:A_3:H8          1:A_2:H2'           1.888    4.406    25.000   25.000 1000.000 !  3.147  0.40/0.40:      
1:A_3:H8          1:A_3:H1'           2.904    6.000    25.000   25.000 1000.000 !  4.840  0.40/0.40:      
1:U_3B:H1'        1:U_3B:H6           2.471    5.766    25.000   25.000 1000.000 !  4.119  0.40/0.40:      
1:U_3B:H1'        1:U_3B:H2'1         1.988    4.640    25.000   25.000 1000.000 !  3.314  0.40/0.40:      
1:U_3B:H1'        1:U_3B:H2'2         1.741    4.063    25.000   25.000 1000.000 !  2.902  0.40/0.40:      
1:U_3B:H1'        1:U_3B:H3'          2.712    6.000    25.000   25.000 1000.000 !  4.520  0.40/0.40:      
1:U_3B:H1'        1:U_3B:H4'          2.008    4.686    25.000   25.000 1000.000 !  3.347  0.40/0.40:      
1:U_3B:H1'        1:C_4B:H6           2.629    6.000    25.000   25.000 1000.000 !  4.381  0.40/0.40:      
1:A_3:H3'         1:A_3:H8            1.872    4.367    25.000   25.000 1000.000 !  3.119  0.40/0.40:      
1:U_3B:H3'        1:U_3B:H2'1         1.744    4.070    25.000   25.000 1000.000 !  2.907  0.40/0.40:      
1:C_4B:H5         1:U_3B:H2'1         2.181    5.089    25.000   25.000 1000.000 !  3.635  0.40/0.40:      
1:C_4B:H6         1:U_3B:H2'1         1.894    4.420    25.000   25.000 1000.000 !  3.157  0.40/0.40:      
1:C_4B:H6         1:U_3B:H2'2         2.001    4.668    25.000   25.000 1000.000 !  3.334  0.40/0.40:      
1:C_4B:H6         1:C_4B:H5           1.461    3.410    25.000   25.000 1000.000 !  2.436  0.40/0.40:      
1:C_4B:H6         1:C_4B:H2'1         1.989    4.642    25.000   25.000 1000.000 !  3.316  0.40/0.40:      
1:C_4B:H6         1:C_4B:H3'          1.904    4.442    25.000   25.000 1000.000 !  3.173  0.40/0.40:      
1:C_4B:H6         1:C_5B:H5           2.482    5.790    25.000   25.000 1000.000 !  4.136  0.40/0.40:      
1:A_4:H8          1:A_3:H1'           2.386    5.566    25.000   25.000 1000.000 !  3.976  0.40/0.40:      
1:A_4:H8          1:A_4:H1'           2.466    5.755    25.000   25.000 1000.000 !  4.111  0.40/0.40:      
1:A_4:H8          1:A_4:H2'           1.750    4.083    25.000   25.000 1000.000 !  2.916  0.40/0.40:      
1:A_4:H8          1:A_4:H3'           2.111    4.926    25.000   25.000 1000.000 !  3.519  0.40/0.40:      
1:A_4:H1'         1:A_3:H2            2.599    6.000    25.000   25.000 1000.000 !  4.331  0.40/0.40:      
1:C_4B:H1'        1:C_4B:H6           2.498    5.829    25.000   25.000 1000.000 !  4.163  0.40/0.40:      
1:C_4B:H1'        1:C_4B:H2'1         2.003    4.673    25.000   25.000 1000.000 !  3.338  0.40/0.40:      
1:A_4:H1'         1:A_4:H2'           1.806    4.215    25.000   25.000 1000.000 !  3.011  0.40/0.40:      
1:C_4B:H1'        1:C_4B:H2'2         1.705    3.977    25.000   25.000 1000.000 !  2.841  0.40/0.40:      
1:C_4B:H1'        1:C_4B:H3'          2.861    6.000    25.000   25.000 1000.000 !  4.768  0.40/0.40:      
1:C_4B:H1'        1:C_4B:H4'          2.124    4.955    25.000   25.000 1000.000 !  3.540  0.40/0.40:      
1:A_4:H1'         1:A_4:H4'           2.249    5.248    25.000   25.000 1000.000 !  3.749  0.40/0.40:      
1:C_4B:H3'        1:C_4B:H2'1         1.651    3.852    25.000   25.000 1000.000 !  2.752  0.40/0.40:      
1:C_5B:H6         1:C_4B:H1'          2.486    5.800    25.000   25.000 1000.000 !  4.143  0.40/0.40:      
1:C_5B:H6         1:C_4B:H2'2         1.703    3.973    25.000   25.000 1000.000 !  2.838  0.40/0.40:      
1:C_5B:H6         1:C_4B:H2'1         1.767    4.124    25.000   25.000 1000.000 !  2.946  0.40/0.40:      
1:C_5B:H6         1:C_4B:H3'          1.848    4.311    25.000   25.000 1000.000 !  3.080  0.40/0.40:      
1:C_5B:H6         1:C_5B:H5           1.478    3.449    25.000   25.000 1000.000 !  2.464  0.40/0.40:      
1:C_5B:H6         1:C_5B:H2'1         1.819    4.245    25.000   25.000 1000.000 !  3.032  0.40/0.40:      
1:C_5B:H6         1:U_6B:H5           2.365    5.518    25.000   25.000 1000.000 !  3.941  0.40/0.40:      
1:G_5:H8          1:A_4:H1'           2.875    6.000    25.000   25.000 1000.000 !  4.792  0.40/0.40:      
1:G_5:H8          1:A_4:H2'           1.721    4.016    25.000   25.000 1000.000 !  2.869  0.40/0.40:      
1:G_5:H8          1:G_5:H1'           3.058    6.000    25.000   25.000 1000.000 !  5.097  0.40/0.40:      
1:G_5:H8          1:G_5:H2'           2.645    6.000    25.000   25.000 1000.000 !  4.409  0.40/0.40:      
1:G_5:H8          1:G_5:H3'           1.848    4.311    25.000   25.000 1000.000 !  3.080  0.40/0.40:      
1:G_5:H1'         1:A_4:H2            2.292    5.349    25.000   25.000 1000.000 !  3.821  0.40/0.40:      
1:G_5:H1'         1:A_4:H2'           2.389    5.575    25.000   25.000 1000.000 !  3.982  0.40/0.40:      
1:C_5B:H1'        1:C_5B:H6           2.678    6.000    25.000   25.000 1000.000 !  4.463  0.40/0.40:      
1:C_5B:H1'        1:C_5B:H2'1         1.916    4.472    25.000   25.000 1000.000 !  3.194  0.40/0.40:      
1:C_5B:H1'        1:C_5B:H2'2         1.689    3.942    25.000   25.000 1000.000 !  2.816  0.40/0.40:      
1:G_5:H1'         1:G_5:H2'           1.946    4.540    25.000   25.000 1000.000 !  3.243  0.40/0.40:      
1:G_5:H1'         1:G_5:H3'           2.081    4.855    25.000   25.000 1000.000 !  3.468  0.40/0.40:      
1:C_5B:H1'        1:C_5B:H3'          3.507    6.000    25.000   25.000 1000.000 !  5.845  0.40/0.40:      
1:C_5B:H1'        1:C_5B:H4'          1.971    4.599    25.000   25.000 1000.000 !  3.285  0.40/0.40:      
1:C_5B:H1'        1:U_6B:H6           2.629    6.000    25.000   25.000 1000.000 !  4.382  0.40/0.40:      
1:G_5:H1'         1:G_6:H8            3.190    6.000    25.000   25.000 1000.000 !  5.317  0.40/0.40:      
1:C_5B:H3'        1:C_5B:H6           2.522    5.885    25.000   25.000 1000.000 !  4.203  0.40/0.40:      
1:C_5B:H3'        1:C_5B:H2'1         1.646    3.840    25.000   25.000 1000.000 !  2.743  0.40/0.40:      
1:U_6B:H6         1:C_5B:H2'2         1.569    3.662    25.000   25.000 1000.000 !  2.615  0.40/0.40:      
1:U_6B:H6         1:U_6B:H5           1.505    3.512    25.000   25.000 1000.000 !  2.508  0.40/0.40:      
1:U_6B:H6         1:U_6B:H1'          2.569    5.994    25.000   25.000 1000.000 !  4.281  0.40/0.40:      
1:U_6B:H6         1:U_6B:H2'1         1.491    3.480    25.000   25.000 1000.000 !  2.485  0.40/0.40:      
1:U_6B:H6         1:U_6B:H3'          1.979    4.617    25.000   25.000 1000.000 !  3.298  0.40/0.40:      
1:G_6:H8          1:G_5:H2'           1.643    3.834    25.000   25.000 1000.000 !  2.738  0.40/0.40:      
1:G_6:H8          1:G_6:H1'           2.211    5.160    25.000   25.000 1000.000 !  3.685  0.40/0.40:      
1:U_6B:H1'        1:U_6B:H2'2         1.697    3.960    25.000   25.000 1000.000 !  2.829  0.40/0.40:      
1:U_6B:H1'        1:U_6B:H2'1         1.841    4.296    25.000   25.000 1000.000 !  3.069  0.40/0.40:      
1:U_6B:H1'        1:U_6B:H3'          2.667    6.000    25.000   25.000 1000.000 !  4.444  0.40/0.40:      
1:U_6B:H1'        1:U_6B:H4'          2.041    4.762    25.000   25.000 1000.000 !  3.402  0.40/0.40:      
1:U_6B:H1'        1:U3'_7B:H6         2.775    6.000    25.000   25.000 1000.000 !  4.625  0.40/0.40:      
1:G_6:H2'         1:G_6:H1'           1.685    3.932    25.000   25.000 1000.000 !  2.808  0.40/0.40:      
1:G_6:H3'         1:G_6:H8            1.713    3.997    25.000   25.000 1000.000 !  2.855  0.40/0.40:      
1:U_6B:H3'        1:U_6B:H2'2         1.788    4.171    25.000   25.000 1000.000 !  2.979  0.40/0.40:      
1:U_6B:H3'        1:U_6B:H2'1         1.596    3.723    25.000   25.000 1000.000 !  2.659  0.40/0.40:      
1:A_7:H2          1:C_4B:H1'          2.298    5.361    25.000   25.000 1000.000 !  3.830  0.40/0.40:      
1:A_7:H2          1:A_7:H1'           3.411    6.000    25.000   25.000 1000.000 !  5.684  0.40/0.40:      
1:A_7:H2          1:G_8:H1'           1.939    4.524    25.000   25.000 1000.000 !  3.232  0.40/0.40:      
1:U3'_7B:H6       1:U_6B:H2'2         1.861    4.342    25.000   25.000 1000.000 !  3.101  0.40/0.40:      
1:U3'_7B:H6       1:U_6B:H2'1         1.967    4.590    25.000   25.000 1000.000 !  3.279  0.40/0.40:      
1:U3'_7B:H6       1:U3'_7B:H5         1.529    3.568    25.000   25.000 1000.000 !  2.549  0.40/0.40:      
1:U3'_7B:H6       1:U3'_7B:H2'1       1.562    3.644    25.000   25.000 1000.000 !  2.603  0.40/0.40:      
1:A_7:H8          1:G_6:H1'           2.518    5.875    25.000   25.000 1000.000 !  4.196  0.40/0.40:      
1:A_7:H8          1:G_6:H3'           2.075    4.843    25.000   25.000 1000.000 !  3.459  0.40/0.40:      
1:A_7:H8          1:A_7:H1'           2.355    5.494    25.000   25.000 1000.000 !  3.925  0.40/0.40:      
1:A_7:H8          1:G_6:H2'           1.640    3.828    25.000   25.000 1000.000 !  2.734  0.40/0.40:      
1:U3'_7B:H1'      1:U3'_7B:H6         2.452    5.722    25.000   25.000 1000.000 !  4.087  0.40/0.40:      
1:U3'_7B:H1'      1:U3'_7B:H2'1       1.967    4.590    25.000   25.000 1000.000 !  3.279  0.40/0.40:      
1:U3'_7B:H1'      1:U3'_7B:H3'        2.925    6.000    25.000   25.000 1000.000 !  4.874  0.40/0.40:      
1:U3'_7B:H1'      1:U3'_7B:H4'        2.463    5.747    25.000   25.000 1000.000 !  4.105  0.40/0.40:      
1:A_7:H1'         1:G_8:H8            2.528    5.898    25.000   25.000 1000.000 !  4.213  0.40/0.40:      
1:A_7:H2'         1:A_7:H8            2.063    4.815    25.000   25.000 1000.000 !  3.439  0.40/0.40:      
1:A_7:H2'         1:A_7:H1'           1.598    3.728    25.000   25.000 1000.000 !  2.663  0.40/0.40:      
1:A_7:H2'         1:G_8:H8            1.593    3.718    25.000   25.000 1000.000 !  2.656  0.40/0.40:      
1:A_7:H3'         1:A_7:H8            1.951    4.552    25.000   25.000 1000.000 !  3.252  0.40/0.40:      
1:A_7:H3'         1:G_8:H8            2.138    4.989    25.000   25.000 1000.000 !  3.564  0.40/0.40:      
1:U3'_7B:H4'      1:U3'_7B:H2'1       1.891    4.413    25.000   25.000 1000.000 !  3.152  0.40/0.40:      
1:G_8:H8          1:G_8:H1'           2.554    5.959    25.000   25.000 1000.000 !  4.257  0.40/0.40:      
1:G_8:H1'         1:G_9:H8            2.616    6.000    25.000   25.000 1000.000 !  4.360  0.40/0.40:      
1:G_8:H2'         1:G_8:H8            2.327    5.429    25.000   25.000 1000.000 !  3.878  0.40/0.40:      
1:G_8:H2'         1:G_8:H1'           1.589    3.708    25.000   25.000 1000.000 !  2.649  0.40/0.40:      
1:G_8:H3'         1:G_8:H8            2.033    4.743    25.000   25.000 1000.000 !  3.388  0.40/0.40:      
1:G_9:H8          1:G_8:H2'           1.623    3.787    25.000   25.000 1000.000 !  2.705  0.40/0.40:      
1:G_9:H8          1:G_9:H1'           2.431    5.672    25.000   25.000 1000.000 !  4.051  0.40/0.40:      
1:G_9:H1'         1:G_9:H4'           1.897    4.426    25.000   25.000 1000.000 !  3.162  0.40/0.40:      
1:G_9:H2'         1:G_9:H1'           1.659    3.871    25.000   25.000 1000.000 !  2.765  0.40/0.40:      
1:G_9:H3'         1:G_9:H8            1.938    4.522    25.000   25.000 1000.000 !  3.230  0.40/0.40:      
1:A_10:H8         1:G_9:H2'           1.755    4.094    25.000   25.000 1000.000 !  2.924  0.40/0.40:      
1:A_10:H8         1:A_10:H1'          2.361    5.510    25.000   25.000 1000.000 !  3.936  0.40/0.40:      
1:A_10:H8         1:A_10:H3'          2.051    4.785    25.000   25.000 1000.000 !  3.418  0.40/0.40:      
1:A_10:H1'        1:G_9:H2'           2.479    5.785    25.000   25.000 1000.000 !  4.132  0.40/0.40:      
1:A_10:H1'        1:A_10:H3'          2.183    5.094    25.000   25.000 1000.000 !  3.638  0.40/0.40:      
1:A_10:H1'        1:G3'_11:H8         2.259    5.271    25.000   25.000 1000.000 !  3.765  0.40/0.40:      
1:A_10:H2'        1:A_10:H1'          1.618    3.775    25.000   25.000 1000.000 !  2.697  0.40/0.40:      
1:G3'_11:H8       1:A_10:H2'          1.907    4.450    25.000   25.000 1000.000 !  3.179  0.40/0.40:      
1:G3'_11:H8       1:G3'_11:H1'        2.183    5.094    25.000   25.000 1000.000 !  3.638  0.40/0.40:      
1:G3'_11:H8       1:G5'_11:H3'        2.312    5.394    25.000   25.000 1000.000 !  3.853  0.40/0.40:      
1:G3'_11:H1'      1:G3'_11:H4'        1.987    4.637    25.000   25.000 1000.000 !  3.312  0.40/0.40:      
1:G3'_11:H2'      1:G3'_11:H1'        1.912    4.461    25.000   25.000 1000.000 !  3.186  0.40/0.40:      
1:A_2:H3'         1:A_2:H8            0.000    6.000    25.000   25.000 1000.000
1:A_7:H1'         1:A_7:H4'           0.000    6.000    25.000   25.000 1000.000
1:A_7:H3'         1:G_8:H8            0.000    6.000    25.000   25.000 1000.000
1:G_8:H4'         1:G_8:H8            0.000    6.000    25.000   25.000 1000.000
1:A_10:H1'        1:A_10:H4'          0.000    6.000    25.000   25.000 1000.000
1:C_5B:H5         1:C_5B:H6           0.000    6.000    25.000   25.000 1000.000
!	    
!**********************************************
!
!  DIHEDRAL RESTRAINTS
!**********************************************
!
! 
!
#NMR_dihedral
!alpha (NOT TIGHTLY RESTRAINED)    P-O5'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO
!
1:A_2:O3'          1:A_3:P            1:A_3:O5'          1:A_3:C5'          -150.000 150.000 50.00 50.00 1000.000
1:A_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:G_5:P            1:G_5:O5'          1:G_5:C5'          -150.000 150.000 50.00 50.00 1000.000
1:G_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:A_7:P            1:A_7:O5'          1:A_7:C5'          -150.000 150.000 50.00 50.00 1000.000
1:A_7:O3'          1:G_8:P            1:G_8:O5'          1:G_8:C5'          -150.000 150.000 50.00 50.00 1000.000
1:G_8:O3'          1:G_9:P            1:G_9:O5'          1:G_9:C5'          -150.000 150.000 50.00 50.00 1000.000
1:G_9:O3'          1:A_10:P           1:A_10:O5'         1:A_10:C5'         -150.000 150.000 50.00 50.00 1000.000
!
!beta (NOT TIGHTLY RESTRAINED) O5'-C5'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO
!
1:A_3:P            1:A_3:O5'          1:A_3:C5'          1:A_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:G_5:P            1:G_5:O5'          1:G_5:C5'          1:G_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:A_7:P            1:A_7:O5'          1:A_7:C5'          1:A_7:C4'          150.000 -150.000 50.00 50.00 1000.000
1:G_8:P            1:G_8:O5'          1:G_8:C5'          1:G_8:C4'          150.000 -150.000 50.00 50.00 1000.000
1:G_9:P            1:G_9:O5'          1:G_9:C5'          1:G_9:C4'          150.000 -150.000 50.00 50.00 1000.000
1:A_10:P           1:A_10:O5'         1:A_10:C5'         1:A_10:C4'         150.000 -150.000 50.00 50.00 1000.000
!
!gamma     C5'-C4'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO
!
!
1:A_2:O5'          1:A_2:C5'          1:A_2:C4'          1:A_2:C3'          30.000 90.000 50.00 50.00 1000.000
1:A_3:O5'          1:A_3:C5'          1:A_3:C4'          1:A_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:G_5:O5'          1:G_5:C5'          1:G_5:C4'          1:G_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:A_7:O5'          1:A_7:C5'          1:A_7:C4'          1:A_7:C3'          30.000 90.000 50.00 50.00 1000.000
1:G_8:O5'          1:G_8:C5'          1:G_8:C4'          1:G_8:C3'          30.000 90.000 50.00 50.00 1000.000
1:G_9:O5'          1:G_9:C5'          1:G_9:C4'          1:G_9:C3'          30.000 90.000 50.00 50.00 1000.000
1:A_10:O5'         1:A_10:C5'         1:A_10:C4'         1:A_10:C3'         30.000 90.000 50.00 50.00 1000.000
!
!
!delta     C4'-C3'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO
!
!
1:A_2:C5'          1:A_2:C4'          1:A_2:C3'          1:A_2:O3'          70.000 110.000 50.00 50.00 1000.000
1:A_3:C5'          1:A_3:C4'          1:A_3:C3'          1:A_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:G_5:C5'          1:G_5:C4'          1:G_5:C3'          1:G_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:A_7:C5'          1:A_7:C4'          1:A_7:C3'          1:A_7:O3'          70.000 110.000 50.00 50.00 1000.000
1:G_8:C5'          1:G_8:C4'          1:G_8:C3'          1:G_8:O3'          70.000 110.000 50.00 50.00 1000.000
1:G_9:C5'          1:G_9:C4'          1:G_9:C3'          1:G_9:O3'          70.000 110.000 50.00 50.00 1000.000
1:A_10:C5'         1:A_10:C4'         1:A_10:C3'         1:A_10:O3'         70.000 110.000 50.00 50.00 1000.000
!
!
!
!epsilon   C3'-O3'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO
!
1:A_2:C4'          1:A_2:C3'          1:A_2:O3'          1:A_3:P            -170.000 -100.000 50.00 50.00 1000.000
1:A_3:C4'          1:A_3:C3'          1:A_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:G_5:P            -170.000 -100.000 50.00 50.00 1000.000
1:G_5:C4'          1:G_5:C3'          1:G_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:A_7:P            -170.000 -100.000 50.00 50.00 1000.000
1:A_7:C4'          1:A_7:C3'          1:A_7:O3'          1:G_8:P            -170.000 -100.000 50.00 50.00 1000.000
1:G_8:C4'          1:G_8:C3'          1:G_8:O3'          1:G_9:P            -170.000 -100.000 50.00 50.00 1000.000 
1:G_9:C4'          1:G_9:C3'          1:G_9:O3'          1:A_10:P           -170.000 -100.000 50.00 50.00 1000.000
!
!
!zeta      O3'-P; first strand (RNA) ONLY RESTRAINED TO C3'ENDO
!
1:A_2:C3'          1:A_2:O3'          1:A_3:P          1:A_3:O5'            -150.000 150.000 50.00 50.00 1000.000
1:A_3:C3'          1:A_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:G_5:P          1:G_5:O5'            -150.000 150.000 50.00 50.00 1000.000
1:G_5:C3'          1:G_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:A_7:P          1:A_7:O5'            -150.000 150.000 50.00 50.00 1000.000
1:A_7:C3'          1:A_7:O3'          1:G_8:P          1:G_8:O5'            -150.000 150.000 50.00 50.00 1000.000
1:G_8:C3'          1:G_8:O3'          1:G_9:P          1:G_9:O5'            -150.000 150.000 50.00 50.00 1000.000 
1:G_9:C3'          1:G_9:O3'          1:A_10:P         1:A_10:O5'           -150.000 150.000 50.00 50.00 1000.000
!
!
!chi        Glycosidic torsions; strand 1 (RNA) ONLY RESTRAINED TO C3'ENDO
!
!
1:A_2:O4'          1:A_2:C1'          1:A_2:N9          1:A_2:C4            150.000 -150.000 50.00 50.00 1000.000
1:A_3:O4'          1:A_3:C1'          1:A_3:N9          1:A_3:C4            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:G_5:O4'          1:G_5:C1'          1:G_5:N9          1:G_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:A_7:O4'          1:A_7:C1'          1:A_7:N9          1:A_7:C4            150.000 -150.000 50.00 50.00 1000.000
1:G_8:O4'          1:G_8:C1'          1:G_8:N9          1:G_8:C4            150.000 -150.000 50.00 50.00 1000.000
1:G_9:O4'          1:G_9:C1'          1:G_9:N9          1:G_9:C4            150.000 -150.000 50.00 50.00 1000.000
1:A_10:O4'         1:A_10:C1'         1:A_10:N9         1:A_10:C4           150.000 -150.000 50.00 50.00 1000.000
!
!
!
!
!
!
#3J_dihedral
!alpha    P-O5'; first strand
!
1:C5'_1B:O3'        1:C_2B:P            1:C_2B:O5'          1:C_2B:C5'          1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -150.0 -90.0 -30.0
1:C_2B:O3'          1:U_3B:P            1:U_3B:O5'          1:U_3B:C5'          1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -150.0 -90.0 -30.0
1:U_3B:O3'          1:C_4B:P            1:C_4B:O5'          1:C_4B:C5'          1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -150.0 -90.0 -30.0
1:C_4B:O3'          1:C_5B:P            1:C_5B:O5'          1:C_5B:C5'          1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -150.0 -90.0 -30.0
1:C_5B:O3'          1:U_6B:P            1:U_6B:O5'          1:U_6B:C5'          1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -150.0 -90.0 -30.0
1:U_6B:O3'          1:U3'_7B:P          1:U3'_7B:O5'        1:U3'_7B:C5'        1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -150.0 -90.0 -30.0
!
!beta      O5'-C5'; first strand
!
!
1:C_2B:P            1:C_2B:O5'          1:C_2B:C5'          1:C_2B:C4'          1 1 50.00 50.00 1000.000 90.0 180.0 -180.0 -90.0 
1:U_3B:P            1:U_3B:O5'          1:U_3B:C5'          1:U_3B:C4'          1 1 50.00 50.00 1000.000 90.0 180.0 -180.0 -90.0
1:C_4B:P            1:C_4B:O5'          1:C_4B:C5'          1:C_4B:C4'	        1 1 50.00 50.00 1000.000 90.0 180.0 -180.0 -90.0
1:C_5B:P            1:C_5B:O5'          1:C_5B:C5'          1:C_5B:C4'          1 1 50.00 50.00 1000.000 90.0 180.0 -180.0 -90.0
1:U_6B:P            1:U_6B:O5'          1:U_6B:C5'          1:U_6B:C4'          1 1 50.00 50.00 1000.000 90.0 180.0 -180.0 -90.0
1:U3'_7B:P          1:U3'_7B:O5'        1:U3'_7B:C5'        1:U3'_7B:C4'        1 1 50.00 50.00 1000.000 90.0 180.0 -180.0 -90.0
!
!gamma     C5'-C4'; first strand
!
!
1:C5'_1B:O5'        1:C5'_1B:C5'        1:C5'_1B:C4'        1:C5'_1B:C3'        1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -30.0
1:C_2B:O5'          1:C_2B:C5'          1:C_2B:C4'          1:C_2B:C3'          1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -30.0
1:U_3B:O5'          1:U_3B:C5'          1:U_3B:C4'          1:U_3B:C3'          1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -30.0
1:C_4B:O5'          1:C_4B:C5'          1:C_4B:C4'          1:C_4B:C3'          1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -30.0
1:C_5B:O5'          1:C_5B:C5'          1:C_5B:C4'          1:C_5B:C3'          1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -30.0
1:U_6B:O5'          1:U_6B:C5'          1:U_6B:C4'          1:U_6B:C3'          1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -30.0
1:U3'_7B:O5'        1:U3'_7B:C5'        1:U3'_7B:C4'        1:U3'_7B:C3'        1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -30.0
!
!delta     C4'-C3'; first strand
!
!
1:C5'_1B:C5'        1:C5'_1B:C4'        1:C5'_1B:C3'        1:C5'_1B:O3'        1 1 50.00 50.00 1000.000 60.0 180.0
1:C_2B:C5'          1:C_2B:C4'          1:C_2B:C3'          1:C_2B:O3'          1 1 50.00 50.00 1000.000 60.0 180.0
1:U_3B:C5'          1:U_3B:C4'          1:U_3B:C3'          1:U_3B:O3'          1 1 50.00 50.00 1000.000 60.0 180.0
1:C_4B:C5'          1:C_4B:C4'          1:C_4B:C3'          1:C_4B:O3'          1 1 50.00 50.00 1000.000 60.0 180.0
1:C_5B:C5'          1:C_5B:C4'          1:C_5B:C3'          1:C_5B:O3'          1 1 50.00 50.00 1000.000 60.0 180.0
1:U_6B:C5'          1:U_6B:C4'          1:U_6B:C3'          1:U_6B:O3'          1 1 50.00 50.00 1000.000 60.0 180.0
1:U3'_7B:C5'        1:U3'_7B:C4'        1:U3'_7B:C3'        1:U3'_7B:O3'        1 1 50.00 50.00 1000.000 60.0 180.0
!
!
!epsilon   C3'-O3'; first strand
!
!
1:C5'_1B:C4'        1:C5'_1B:C3'        1:C5'_1B:O3'        1:C_2B:P             1 1 50.00 50.00 1000.000 -180.0 -90.0
1:C_2B:C4'          1:C_2B:C3'          1:C_2B:O3'          1:U_3B:P             1 1 50.00 50.00 1000.000 -180.0 -90.0
1:U_3B:C4'          1:U_3B:C3'          1:U_3B:O3'          1:C_4B:P             1 1 50.00 50.00 1000.000 -180.0 -90.0
1:C_4B:C4'          1:C_4B:C3'          1:C_4B:O3'          1:C_5B:P             1 1 50.00 50.00 1000.000 -180.0 -90.0
1:C_5B:C4'          1:C_5B:C3'          1:C_5B:O3'          1:U_6B:P             1 1 50.00 50.00 1000.000 -180.0 -90.0
1:U_6B:C4'          1:U_6B:C3'          1:U_6B:O3'          1:U3'_7B:P           1 1 50.00 50.00 1000.000 -180.0 -90.0  
!
!zeta      O3'-P; first strand
!
!
1:C5'_1B:C3'        1:C5'_1B:O3'        1:C_2B:P            1:C_2B:O5'          1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -150.0 -90.0 -30.0
1:C_2B:C3'          1:C_2B:O3'          1:U_3B:P            1:U_3B:O5'          1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -150.0 -90.0 -30.0
1:U_3B:C3'          1:U_3B:O3'          1:C_4B:P            1:C_4B:O5'          1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -150.0 -90.0 -30.0
1:C_4B:C3'          1:C_4B:O3'          1:C_5B:P            1:C_5B:O5'          1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -150.0 -90.0 -30.00
1:C_5B:C3'          1:C_5B:O3'          1:U_6B:P            1:U_6B:O5'          1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -150.0 -90.0 -30.0
1:U_6B:C3'          1:U_6B:O3'          1:U3'_7B:P          1:U3'_7B:O5'        1 1 50.00 50.00 1000.000 30.0 90.0 150.0 180.0 -180.0 -150.0 -90.0 -30.0
!
!chi        Glycosidic torsions; strand 1
!
!
1:C5'_1B:O4'        1:C5'_1B:C1'        1:C5'_1B:N1         1:C5'_1B:C2         1 1 50.00 50.00 1000.000 0.0 60.0 -180.0 -120.0
1:C_2B:O4'          1:C_2B:C1'          1:C_2B:N1           1:C_2B:C2           1 1 50.00 50.00 1000.000 0.0 60.0 -180.0 -120.0
1:U_3B:O4'          1:U_3B:C1'          1:U_3B:N1           1:U_3B:C2           1 1 50.00 50.00 1000.000 0.0 60.0 -180.0 -120.0
1:C_4B:O4'          1:C_4B:C1'          1:C_4B:N1           1:C_4B:C2           1 1 50.00 50.00 1000.000 0.0 60.0 -180.0 -120.0
1:C_5B:O4'          1:C_5B:C1'          1:C_5B:N1           1:C_5B:C2           1 1 50.00 50.00 1000.000 0.0 60.0 -180.0 -120.0
1:U_6B:O4'          1:U_6B:C1'          1:U_6B:N1           1:U_6B:C2           1 1 50.00 50.00 1000.000 0.0 60.0 -180.0 -120.0
1:U3'_7B:O4'        1:U3'_7B:C1'        1:U3'_7B:N1         1:U3'_7B:C2         1 1 50.00 50.00 1000.000 0.0 60.0 -180.0 -120.0



  Entry H atom name         Submitted Coord H atom name
    1   1H5*    A   2          1H5*        A   2   6.990  -5.008  14.097
    2   2H5*    A   2          2H5*        A   2   8.016  -6.232  13.349
    3    H4*    A   2           H4*        A   2   6.456  -7.552  14.491
    4    H3*    A   2           H3*        A   2   5.182  -7.160  11.717
    5    H2*    A   2           H2*        A   2   3.528  -8.716  12.335
    6   2HO*    A   2          2HO*        A   2   5.332  -9.961  13.435
    7    H1*    A   2           H1*        A   2   3.410  -7.749  15.051
    8    H8     A   2           H8         A   2   3.061  -4.544  13.503
    9   1H6     A   2          1H6         A   2  -2.934  -5.551  12.432
   10   2H6     A   2          2H6         A   2  -1.601  -4.298  12.612
   11    H2     A   2           H2         A   2  -1.111  -9.458  12.899
   12    H5T    A   2           H5T        A   2   7.041  -5.934  11.397
   13   1H5*    A   3          1H5*        A   3   6.052 -11.113  10.484
   14   2H5*    A   3          2H5*        A   3   6.630 -11.092   8.813
   15    H4*    A   3           H4*        A   3   4.267 -11.930   9.036
   16    H3*    A   3           H3*        A   3   4.619  -9.309   7.488
   17    H2*    A   3           H2*        A   3   2.264  -9.303   7.057
   18   2HO*    A   3          2HO*        A   3   1.671 -11.241   6.537
   19    H1*    A   3           H1*        A   3   1.504 -10.192   9.633
   20    H8     A   3           H8         A   3   4.290  -7.505   9.552
   21   1H6     A   3          1H6         A   3  -0.052  -3.107   9.568
   22   2H6     A   3          2H6         A   3   1.741  -3.484   9.705
   23    H2     A   3           H2         A   3  -2.125  -6.880   9.032
   24   1H5*    A   4          1H5*        A   4   2.238 -12.400   4.987
   25   2H5*    A   4          2H5*        A   4   2.403 -12.112   3.253
   26    H4*    A   4           H4*        A   4   0.007 -12.020   4.177
   27    H3*    A   4           H3*        A   4   1.128  -9.555   2.745
   28    H2*    A   4           H2*        A   4  -1.026  -8.530   2.964
   29   2HO*    A   4          2HO*        A   4  -2.451 -10.014   2.476
   30    H1*    A   4           H1*        A   4  -1.496  -9.466   5.598
   31    H8     A   4           H8         A   4   2.068  -8.101   4.992
   32   1H6     A   4          1H6         A   4   0.054  -2.389   6.240
   33   2H6     A   4          2H6         A   4   1.500  -3.467   5.901
   34    H2     A   4           H2         A   4  -3.476  -4.929   6.048
   35   1H5*    G   5          1H5*        G   5  -2.866 -11.011   0.839
   36   2H5*    G   5          2H5*        G   5  -2.958 -10.576  -0.868
   37    H4*    G   5           H4*        G   5  -4.867  -9.706   0.595
   38    H3*    G   5           H3*        G   5  -3.159  -7.667  -0.933
   39    H2*    G   5           H2*        G   5  -4.696  -5.959  -0.173
   40   2HO*    G   5          2HO*        G   5  -6.460  -7.610  -0.465
   41    H1*    G   5           H1*        G   5  -4.891  -6.956   2.456
   42    H8     G   5           H8         G   5  -1.276  -7.113   1.153
   43    H1     G   5           H1         G   5  -2.445  -1.133   3.368
   44   1H2     G   5          1H2         G   5  -6.000  -2.236   3.195
   45   2H2     G   5          2H2         G   5  -4.890  -0.858   3.536
   46   1H5*    G   6          1H5*        G   6  -7.433  -6.836  -2.074
   47   2H5*    G   6          2H5*        G   6  -7.572  -6.253  -3.735
   48    H4*    G   6           H4*        G   6  -8.418  -4.645  -1.958
   49    H3*    G   6           H3*        G   6  -6.110  -3.699  -3.743
   50    H2*    G   6           H2*        G   6  -6.299  -1.533  -2.679
   51   2HO*    G   6          2HO*        G   6  -8.717  -1.951  -2.655
   52    H1*    G   6           H1*        G   6  -6.632  -2.560  -0.078
   53    H8     G   6           H8         G   6  -3.943  -4.573  -1.929
   54    H1     G   6           H1         G   6  -1.283   0.809   0.530
   55   1H2     G   6          1H2         G   6  -4.841   1.838   0.963
   56   2H2     G   6          2H2         G   6  -3.120   2.346   1.126
   57   1H5*    A   7          1H5*        A   7  -9.211  -0.480  -4.054
   58   2H5*    A   7          2H5*        A   7  -9.246   0.228  -5.672
   59    H4*    A   7           H4*        A   7  -8.710   1.878  -3.840
   60    H3*    A   7           H3*        A   7  -6.524   1.410  -5.942
   61    H2*    A   7           H2*        A   7  -5.279   3.209  -4.893
   62   2HO*    A   7          2HO*        A   7  -7.394   4.323  -4.529
   63    H1*    A   7           H1*        A   7  -5.797   2.351  -2.267
   64    H8     A   7           H8         A   7  -5.145  -0.667  -4.546
   65   1H6     A   7          1H6         A   7   0.908  -0.124  -3.499
   66   2H6     A   7          2H6         A   7  -0.444  -1.157  -4.194
   67    H2     A   7           H2         A   7  -0.922   3.510  -1.975
   68   1H5*    G   8          1H5*        G   8  -7.369   5.870  -5.818
   69   2H5*    G   8          2H5*        G   8  -7.145   6.616  -7.402
   70    H4*    G   8           H4*        G   8  -5.704   7.586  -5.559
   71    H3*    G   8           H3*        G   8  -4.241   6.298  -7.931
   72    H2*    G   8           H2*        G   8  -2.180   7.145  -6.956
   73   2HO*    G   8          2HO*        G   8  -3.510   9.096  -6.282
   74    H1*    G   8           H1*        G   8  -2.862   6.423  -4.324
   75    H8     G   8           H8         G   8  -3.944   3.633  -6.714
   76    H1     G   8           H1         G   8   2.421   3.058  -5.617
   77   1H2     G   8          1H2         G   8   2.056   6.531  -4.314
   78   2H2     G   8          2H2         G   8   3.217   5.214  -4.722
   79   1H5*    G   9          1H5*        G   9  -2.604  10.465  -7.666
   80   2H5*    G   9          2H5*        G   9  -2.258  11.138  -9.263
   81    H4*    G   9           H4*        G   9  -0.249  10.997  -7.722
   82    H3*    G   9           H3*        G   9  -0.142   9.386 -10.332
   83    H2*    G   9           H2*        G   9   2.129   8.773  -9.772
   84   2HO*    G   9          2HO*        G   9   2.207  11.085  -8.766
   85    H1*    G   9           H1*        G   9   1.610   8.311  -7.040
   86    H8     G   9           H8         G   9  -1.288   6.813  -9.001
   87    H1     G   9           H1         G   9   3.729   2.728  -9.295
   88   1H2     G   9          1H2         G   9   5.680   5.786  -8.424
   89   2H2     G   9          2H2         G   9   5.783   4.061  -8.939
   90   1H5*    A  10          1H5*        A  10   3.742  11.165 -10.437
   91   2H5*    A  10          2H5*        A  10   4.103  11.860 -12.019
   92    H4*    A  10           H4*        A  10   5.733  10.071 -11.409
   93    H3*    A  10           H3*        A  10   3.859   9.365 -13.743
   94    H2*    A  10           H2*        A  10   5.056   7.323 -14.042
   95   2HO*    A  10          2HO*        A  10   6.974   6.910 -12.894
   96    H1*    A  10           H1*        A  10   5.313   6.778 -11.265
   97    H8     A  10           H8         A  10   1.807   8.090 -12.102
   98   1H6     A  10          1H6         A  10  -0.029   2.299 -13.192
   99   2H6     A  10          2H6         A  10  -0.540   4.050 -12.970
  100    H2     A  10           H2         A  10   4.286   2.147 -12.787
  101    H3T    A  10           H3T        A  10   5.348  11.060 -14.005
  102   1H5*    C   1          1H5*        C   1  10.300  -3.347 -11.597
  103   2H5*    C   1          2H5*        C   1  10.818  -3.500  -9.913
  104    H4*    C   1           H4*        C   1  10.732  -1.104 -10.796
  105    H3*    C   1           H3*        C   1   8.933  -1.809  -8.402
  106    H1*    C   1           H1*        C   1   8.313   0.903 -11.102
  107   1H4     C   1          1H4         C   1   2.130  -1.406  -9.195
  108   2H4     C   1          2H4         C   1   1.972   0.355  -9.514
  109    H5     C   1           H5         C   1   4.297  -2.468  -9.292
  110    H6     C   1           H6         C   1   6.693  -2.306  -9.670
  111   2H2*    C   1          2H2*        C   1   9.761   0.997  -9.338
  112   1H2*    C   1          1H2*        C   1   8.407   0.574  -8.284
  113    H5T    C   1           H5T        C   1   8.118  -3.399 -10.804
  114   1H5*    C   2          1H5*        C   2  11.077   1.927  -7.382
  115   2H5*    C   2          2H5*        C   2  11.689   1.841  -5.723
  116    H4*    C   2           H4*        C   2  10.276   3.858  -6.088
  117    H3*    C   2           H3*        C   2   9.076   1.789  -4.150
  118    H1*    C   2           H1*        C   2   7.040   4.158  -6.428
  119   1H4     C   2          1H4         C   2   3.540  -1.718  -6.004
  120   2H4     C   2          2H4         C   2   2.355  -0.363  -6.010
  121    H5     C   2           H5         C   2   5.915  -1.240  -6.058
  122    H6     C   2           H6         C   2   7.717   0.382  -6.008
  123   2H2*    C   2          2H2*        C   2   8.202   4.707  -4.580
  124   1H2*    C   2          1H2*        C   2   7.281   3.442  -3.777
  125   1H5*    U   3          1H5*        U   3   8.765   5.955  -2.717
  126   2H5*    U   3          2H5*        U   3   9.309   6.154  -1.050
  127    H4*    U   3           H4*        U   3   7.085   7.228  -1.543
  128    H3*    U   3           H3*        U   3   7.624   5.686   0.820
  129    H1*    U   3           H1*        U   3   4.323   5.773  -1.181
  130    H3     U   3           H3         U   3   1.583   2.273  -2.292
  131    H5     U   3           H5         U   3   5.496   0.481  -2.617
  132    H6     U   3           H6         U   3   6.488   2.645  -1.976
  133   2H2*    U   3          2H2*        U   3   4.992   4.887   0.972
  134   1H2*    U   3          1H2*        U   3   6.262   3.873   0.265
  135   1H5*    C   4          1H5*        C   4   3.333   8.343   0.730
  136   2H5*    C   4          2H5*        C   4   3.123   8.915   2.391
  137    H4*    C   4           H4*        C   4   0.967   8.259   1.423
  138    H3*    C   4           H3*        C   4   1.905   6.313   3.614
  139    H1*    C   4           H1*        C   4  -0.317   5.530   0.520
  140   1H4     C   4          1H4         C   4   3.464  -0.099   1.348
  141   2H4     C   4          2H4         C   4   1.831  -0.603   0.784
  142    H5     C   4           H5         C   4   3.876   2.221   1.928
  143    H6     C   4           H6         C   4   3.063   4.516   2.086
  144   2H2*    C   4          2H2*        C   4  -0.924   6.580   2.439
  145   1H2*    C   4          1H2*        C   4  -0.262   5.212   3.335
  146   1H5*    C   5          1H5*        C   5  -2.332   7.692   3.866
  147   2H5*    C   5          2H5*        C   5  -2.786   8.243   5.480
  148    H4*    C   5           H4*        C   5  -4.475   6.714   4.393
  149    H3*    C   5           H3*        C   5  -3.690   6.540   7.135
  150    H1*    C   5           H1*        C   5  -4.380   3.533   4.798
  151   1H4     C   5          1H4         C   5   1.728   0.307   4.526
  152   2H4     C   5          2H4         C   5   0.486  -0.832   3.898
  153    H5     C   5           H5         C   5   1.125   2.555   5.124
  154    H6     C   5           H6         C   5  -0.585   4.243   5.462
  155   2H2*    C   5          2H2*        C   5  -4.021   3.807   7.162
  156   1H2*    C   5          1H2*        C   5  -2.441   4.572   6.941
  157   1H5*    U   6          1H5*        U   6  -7.590   3.585   5.796
  158   2H5*    U   6          2H5*        U   6  -8.649   3.608   7.213
  159    H4*    U   6           H4*        U   6  -8.548   1.341   6.291
  160    H3*    U   6           H3*        U   6  -7.042   1.591   8.962
  161    H1*    U   6           H1*        U   6  -6.398  -0.832   5.971
  162    H3     U   6           H3         U   6  -2.135  -2.198   6.708
  163    H5     U   6           H5         U   6  -2.155   1.730   8.499
  164    H6     U   6           H6         U   6  -4.599   1.830   8.113
  165   2H2*    U   6          2H2*        U   6  -7.892  -1.040   7.649
  166   1H2*    U   6          1H2*        U   6  -6.606  -0.768   8.830
  167   1H5*    U   7          1H5*        U   7  -9.999  -1.959   8.549
  168   2H5*    U   7          2H5*        U   7 -10.841  -2.233  10.081
  169    H4*    U   7           H4*        U   7  -9.871  -4.355   9.199
  170    H3*    U   7           H3*        U   7  -8.554  -3.288  11.768
  171    H1*    U   7           H1*        U   7  -6.872  -5.369   8.927
  172    H3     U   7           H3         U   7  -2.511  -4.098   9.215
  173    H5     U   7           H5         U   7  -4.476  -0.979  11.456
  174    H6     U   7           H6         U   7  -6.622  -2.128  11.083
  175    H3T    U   7           H3T        U   7 -10.666  -4.113  11.854
  176   2H2*    U   7          2H2*        U   7  -8.104  -6.099  10.672
  177   1H2*    U   7          1H2*        U   7  -7.062  -5.168  11.763