*HEADER    RNA                                     25-JUN-04   1TUT              
*TITLE     J4/5 LOOP FROM THE CANDIDA ALBICANS AND CANDIDA                       
*TITLE    2 DUBLINIENSIS GROUP I INTRONS                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-R(*GP*AP*GP*GP*AP*AP*GP*GP*CP*GP*A)-3';                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: 5'-R(*UP*CP*GP*UP*UP*AP*AP*UP*CP*UP*C)-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    RNA, NMR, INTERNAL LOOP, TANDEM MISMATCH, GU PAIRS, AA PAIRS          
*EXPDTA    NMR                                                                   
*AUTHOR    B.M.ZNOSKO, S.D.KENNEDY, P.C.WILLE, T.R.KRUGH, D.H.TURNER             
*REVDAT   1   28-DEC-04 1TUT    0                                                
!BIOSYM restraint 1
!
#distance
!
!Standard hydrogen bond restraints
!
1:G5'_1:H1         1:C_21:N3             1.600    2.100    25.000   25.000 1000.000    !Hbond
1:G5'_1:O6         1:C_21:H42            1.600    2.100    25.000   25.000 1000.000    !Hbond
1:G5'_1:H22        1:C_21:O2             1.600    2.100    25.000   25.000 1000.000    !Hbond
1:A_2:H61          1:U_20:O4             1.600    2.100    25.000   25.000 1000.000    !Hbond
1:A_2:N1           1:U_20:H3             1.600    2.100    25.000   25.000 1000.000    !Hbond
1:G_3:H1           1:C_19:N3             1.600    2.100    25.000   25.000 1000.000    !Hbond
1:G_3:O6           1:C_19:H42            1.600    2.100    25.000   25.000 1000.000    !Hbond
1:G_3:H22          1:C_19:O2             1.600    2.100    25.000   25.000 1000.000    !Hbond
1:G_8:O6           1:U_14:H3             1.600    2.100    25.000   25.000 1000.000    !Hbond
1:G_8:H1           1:U_14:O2             1.600    2.100    25.000   25.000 1000.000    !Hbond
1:C_9:N3           1:G_13:H1             1.600    2.100    25.000   25.000 1000.000    !Hbond
1:C_9:H42          1:G_13:O6             1.600    2.100    25.000   25.000 1000.000    !Hbond
1:C_9:O2           1:G_13:H22            1.600    2.100    25.000   25.000 1000.000    !Hbond
1:G_10:H1          1:C_12:N3             1.600    2.100    25.000   25.000 1000.000    !Hbond
1:G_10:O6          1:C_12:H42            1.600    2.100    25.000   25.000 1000.000    !Hbond
1:G_10:H22         1:C_12:O2             1.600    2.100    25.000   25.000 1000.000    !Hbond
1:A3'_11:H61       1:U5'_11B:O4          1.600    2.100    25.000   25.000 1000.000    !Hbond
1:A3'_11:N1        1:U5'_11B:H3          1.600    2.100    25.000   25.000 1000.000    !Hbond
!
!Non-exchangeable proton restraints from 200, 400, 600 ms NOESY
1:G5'_1:H8         1:G5'_1:H2'           2.771    5.146    25.000   25.000 1000.000 !  3.959  0.30/0.30: 200
1:G5'_1:H8         1:G5'_1:H3'           2.187    4.061    25.000   25.000 1000.000 !  3.124  0.30/0.30: 200
1:G5'_1:H8         1:G5'_1:H4'           2.950    5.479    25.000   25.000 1000.000 !  4.215  0.30/0.30: 200
1:G5'_1:H8         1:A_2:H8          2.706    5.026    25.000   25.000 1000.000 !  3.866  0.30/0.30: 200
1:G5'_1:H1'        1:G5'_1:H8            1.000    5.000    25.000   25.000 1000.000 !  3.087  0.30/0.30: 200 overlap
1:G5'_1:H1'        1:G5'_1:H2'           1.803    3.348    25.000   25.000 1000.000 !  2.576  0.30/0.30: 200
1:G5'_1:H1'        1:G5'_1:H3'           2.099    3.898    25.000   25.000 1000.000 !  2.998  0.30/0.30: 200
1:G5'_1:H1'        1:G5'_1:H4'           2.208    4.100    25.000   25.000 1000.000 !  3.154  0.30/0.30: 200
!1:G5'_1:H1'        1:P_22:H2          2.561    4.755    25.000   25.000 1000.000 !  3.658  0.30/0.30: 200 asn
!1:A_2:H2           1:C_21:H1'          2.252    4.182    25.000   25.000 1000.000 !  3.217  0.30/0.30: 200 overlap
1:A_2:H8           1:G5'_1:H1'           2.606    4.840    25.000   25.000 1000.000 !  3.723  0.30/0.30: 200
1:A_2:H8           1:G5'_1:H2'           1.670    3.101    25.000   25.000 1000.000 !  2.385  0.30/0.30: 200
1:A_2:H8           1:G5'_1:H3'           1.937    3.598    25.000   25.000 1000.000 !  2.768  0.30/0.30: 200
1:A_2:H8           1:A_2:H1'          2.558    4.751    25.000   25.000 1000.000 !  3.655  0.30/0.30: 200
1:A_2:H8           1:A_2:H2'          1.993    4.650    25.000   25.000 1000.000 !  3.321  0.40/0.40: 400
1:A_2:H8           1:G_3:H8          3.161    5.871    25.000   25.000 1000.000 !  4.516  0.30/0.30: 200
1:A_2:H1'          1:G5'_1:H2'           3.152    5.853    25.000   25.000 1000.000 !  4.502  0.30/0.30: 200
1:A_2:H1'          1:G_3:H8          3.128    5.810    25.000   25.000 1000.000 !  4.469  0.30/0.30: 200
1:A_2:H2'          1:A_2:H1'          1.792    3.327    25.000   25.000 1000.000 !  2.559  0.30/0.30: 200
1:A_2:H3'          1:A_2:H1'          2.487    4.620    25.000   25.000 1000.000 !  3.553  0.30/0.30: 200
1:G_3:H8           1:A_2:H2'          1.535    3.581    25.000   25.000 1000.000 !  2.558  0.40/0.40: 400
1:G_3:H8           1:G_3:H2'          2.644    6.170    25.000   25.000 1000.000 !  4.407  0.40/0.40: 400
1:G_3:H8           1:G_3:H3'          2.601    4.830    25.000   25.000 1000.000 !  3.716  0.30/0.30: 200
1:G_3:H1'          1:A_2:H2          2.276    4.226    25.000   25.000 1000.000 !  3.251  0.30/0.30: 200
1:G_3:H1'          1:A_2:H2'          3.030    5.627    25.000   25.000 1000.000 !  4.329  0.30/0.30: 200
1:G_3:H1'          1:G_3:H8          2.844    5.281    25.000   25.000 1000.000 !  4.062  0.30/0.30: 200
1:G_3:H1'          1:G_3:H3'          2.573    4.779    25.000   25.000 1000.000 !  3.676  0.30/0.30: 200
1:G_3:H1'          1:G_3:H4'          2.286    4.245    25.000   25.000 1000.000 !  3.265  0.30/0.30: 200
!1:G_3:H1'          1:G_4:H8          2.276    4.226    25.000   25.000 1000.000 !  3.251  0.30/0.30: 200 overlap
1:G_3:H2'          1:G_3:H1'          1.795    3.334    25.000   25.000 1000.000 !  2.565  0.30/0.30: 200
1:G_3:H2'          1:G_4:H8          1.551    3.619    25.000   25.000 1000.000 !  2.585  0.40/0.40: 400
1:G_4:H8           1:G_3:H3'          2.195    4.077    25.000   25.000 1000.000 !  3.136  0.30/0.30: 200
1:G_4:H8           1:G_4:H3'          1.635    3.815    25.000   25.000 1000.000 !  2.725  0.40/0.40: 400
1:G_4:H1'          1:G_4:H8          3.166    5.880    25.000   25.000 1000.000 !  4.523  0.30/0.30: 200
1:G_4:H1'          1:G_4:H3'          2.596    4.821    25.000   25.000 1000.000 !  3.709  0.30/0.30: 200
1:G_4:H1'          1:G_4:H4'          2.482    4.609    25.000   25.000 1000.000 !  3.546  0.30/0.30: 200
1:G_4:H1'          1:A_5:H8          2.932    5.446    25.000   25.000 1000.000 !  4.189  0.30/0.30: 200
1:G_4:H2'          1:G_4:H1'          2.110    3.919    25.000   25.000 1000.000 !  3.015  0.30/0.30: 200
1:G_4:H2'          1:A_5:H8          1.521    3.548    25.000   25.000 1000.000 !  2.534  0.40/0.40: 400
1:A_5:H8           1:G_4:H3'          2.656    4.933    25.000   25.000 1000.000 !  3.795  0.30/0.30: 200
!1:A_5:H8           1:A_5:H4'          1.994    3.703    25.000   25.000 1000.000 !  2.848  0.30/0.30: 200 too tight
1:A_5:H1'          1:G_4:H2'          2.297    5.360    25.000   25.000 1000.000 !  3.829  0.40/0.40: 400
1:A_5:H1'          1:A_5:H8          2.479    4.604    25.000   25.000 1000.000 !  3.542  0.30/0.30: 200
1:A_6:H8           1:A_6:H1'          2.410    4.476    25.000   25.000 1000.000 !  3.443  0.30/0.30: 200
1:A_6:H8           1:G_7:H8          3.176    5.899    25.000   25.000 1000.000 !  4.538  0.30/0.30: 200
!1:A_6:H1'          1:A_6:H2'          2.096    3.893    25.000   25.000 1000.000 !  2.994  0.30/0.30: 200
1:A_6:H1'          1:A_6:H3'          2.361    4.384    25.000   25.000 1000.000 !  3.373  0.30/0.30: 200
1:A_6:H1'          1:A_6:H4'          2.535    5.915    25.000   25.000 1000.000 !  4.225  0.40/0.40: 400
1:A_6:H1'          1:G_7:H8          3.137    5.827    25.000   25.000 1000.000 !  4.482  0.30/0.30: 200
1:G_7:H8           1:A_6:H2'          1.924    4.490    25.000   25.000 1000.000 !  3.207  0.40/0.40: 400
1:G_7:H8           1:A_6:H3'          2.510    5.857    25.000   25.000 1000.000 !  4.184  0.40/0.40: 400
1:G_7:H8           1:G_7:H2'          1.977    3.671    25.000   25.000 1000.000 !  2.824  0.40/0.40: 400
1:G_7:H8           1:G_7:H3'          1.852    3.439    25.000   25.000 1000.000 !  2.645  0.30/0.30: 200
1:G_7:H8           1:G_8:H8          2.659    6.205    25.000   25.000 1000.000 !  4.432  0.40/0.40: 400
!Use 35C spectrum to get restraints for G7H1'
1:G_7:H1'          1:G_7:H8          2.186    6.557    25.000   25.000 1000.000 !  4.371  0.50/0.50: 600 35C
1:G_7:H1'          1:G_8:H8          2.000    7.000    25.000   25.000 1000.000 !  6.459  0.30/0.30: 200 too weak
1:G_7:H2'          1:G_8:H8          1.000    5.000    25.000   25.000 1000.000 !  2.880  0.30/0.30: 200 overlap
1:G_7:H3'          1:G_8:H8          1.895    3.519    25.000   25.000 1000.000 !  2.707  0.30/0.30: 200
1:G_8:H8           1:G_8:H2'          2.616    4.859    25.000   25.000 1000.000 !  3.738  0.30/0.30: 200
1:G_8:H8           1:G_8:H3'          1.000    5.000    25.000   25.000 1000.000 !  2.284  0.30/0.30: 200 overlap
1:G_8:H1'          1:G_8:H8          2.935    5.451    25.000   25.000 1000.000 !  4.193  0.30/0.30: 200
1:G_8:H1'          1:G_8:H2'          1.702    3.161    25.000   25.000 1000.000 !  2.432  0.30/0.30: 200
1:G_8:H1'          1:C_9:H6          2.665    4.950    25.000   25.000 1000.000 !  3.808  0.30/0.30: 200
1:G_8:H3'          1:G_8:H1'          1.000    5.000    25.000   25.000 1000.000 !  2.939  0.30/0.30: 200 overlap
!1:G_8:H3'          1:C_9:H6          2.093    3.887    25.000   25.000 1000.000 !  2.990  0.30/0.30: 200 overlap
1:C_9:H5           1:G_8:H8          3.119    5.793    25.000   25.000 1000.000 !  4.456  0.30/0.30: 200
1:C_9:H5           1:C_9:H6          1.712    3.180    25.000   25.000 1000.000 !  2.446  0.30/0.30: 200
1:C_9:H6           1:G_8:H8          3.192    5.928    25.000   25.000 1000.000 !  4.560  0.30/0.30: 200
!1:C_9:H6           1:G_10:H8          1.924    4.490    25.000   25.000 1000.000 !  3.207  0.40/0.40: 400
1:C_9:H1'          1:C_9:H6          2.459    4.567    25.000   25.000 1000.000 !  3.513  0.30/0.30: 200
1:C_9:H1'          1:C_9:H3'          2.062    3.829    25.000   25.000 1000.000 !  2.946  0.30/0.30: 200
1:C_9:H1'          1:G_10:H8          2.959    5.496    25.000   25.000 1000.000 !  4.228  0.30/0.30: 200
1:C_9:H2'          1:C_9:H1'          1.734    3.220    25.000   25.000 1000.000 !  2.477  0.30/0.30: 200
1:G_10:H8          1:C_9:H2'          1.680    3.120    25.000   25.000 1000.000 !  2.400  0.30/0.30: 200
1:G_10:H8          1:C_9:H3'          2.298    4.268    25.000   25.000 1000.000 !  3.283  0.30/0.30: 200
1:G_10:H8          1:G_10:H1'          2.596    4.821    25.000   25.000 1000.000 !  3.709  0.30/0.30: 200
1:G_10:H8          1:G_10:H3'          1.933    3.589    25.000   25.000 1000.000 !  2.761  0.30/0.30: 200
1:G_10:H1'         1:G_10:H4'          1.872    3.477    25.000   25.000 1000.000 !  2.675  0.30/0.30: 200
1:G_10:H1'         1:A3'_11:H8           2.947    5.473    25.000   25.000 1000.000 !  4.210  0.30/0.30: 200
1:G_10:H2'         1:G_10:H1'          1.926    3.578    25.000   25.000 1000.000 !  2.752  0.30/0.30: 200
1:G_10:H2'         1:A3'_11:H8           1.660    3.083    25.000   25.000 1000.000 !  2.372  0.30/0.30: 200
1:A3'_11:H2        1:U5'_11B:H1'         2.693    6.285    25.000   25.000 1000.000 !  4.489  0.40/0.40: 400
1:U5'_11B:H6       1:U5'_11B:H5          1.613    2.996    25.000   25.000 1000.000 !  2.305  0.30/0.30: 200
1:U5'_11B:H6       1:U5'_11B:H3'         1.000    5.000    25.000   25.000 1000.000 !  2.539  0.30/0.30: 200 overlap
1:U5'_11B:H6       1:U5'_11B:H4'         2.598    6.063    25.000   25.000 1000.000 !  4.330  0.40/0.40: 400
1:U5'_11B:H6       1:C_12:H6          1.000    6.000    25.000   25.000 1000.000 !  3.161  0.30/0.30: 200 near diagonal
1:A3'_11:H8        1:G_10:H8          2.848    6.646    25.000   25.000 1000.000 !  4.747  0.40/0.40: 400
1:A3'_11:H8        1:G_10:H3'          2.036    3.781    25.000   25.000 1000.000 !  2.908  0.30/0.30: 200
!1:A3'_11:H8        1:U5'_11B:H6          2.340    4.345    25.000   25.000 1000.000 !  3.343  0.30/0.30: 200 asn
1:A3'_11:H8        1:A3'_11:H3'          1.777    3.301    25.000   25.000 1000.000 !  2.539  0.30/0.30: 200
!1:A3'_11:H8        1:C_12:H6          2.059    3.825    25.000   25.000 1000.000 !  2.942  0.30/0.30: 200 asn
1:A3'_11:H1'       1:G_10:H2'          3.076    5.713    25.000   25.000 1000.000 !  4.395  0.30/0.30: 200
1:A3'_11:H1'       1:A3'_11:H2           2.883    8.074    25.000   25.000 1000.000 !  5.767  0.50/0.50: 600
1:U5'_11B:H1'      1:U5'_11B:H6          2.773    5.150    25.000   25.000 1000.000 !  3.961  0.30/0.30: 200
1:A3'_11:H1'       1:A3'_11:H8           2.975    5.526    25.000   25.000 1000.000 !  4.250  0.30/0.30: 200
1:A3'_11:H1'       1:A3'_11:H3'          2.262    4.201    25.000   25.000 1000.000 !  3.232  0.30/0.30: 200
1:U5'_11B:H1'      1:C_12:H6          2.176    5.077    25.000   25.000 1000.000 !  3.626  0.40/0.40: 400
1:A3'_11:H2'       1:A3'_11:H8           2.171    4.032    25.000   25.000 1000.000 !  3.102  0.30/0.30: 200
1:A3'_11:H2'       1:A3'_11:H1'          1.861    3.457    25.000   25.000 1000.000 !  2.659  0.30/0.30: 200
1:U5'_11B:H2'      1:U5'_11B:H1'         1.867    3.468    25.000   25.000 1000.000 !  2.668  0.30/0.30: 200
1:U5'_11B:H2'      1:C_12:H6          1.000    5.000    25.000   25.000 1000.000 !  2.462  0.30/0.30: 200 overlap
1:U5'_11B:H4'      1:U5'_11B:H1'         2.373    4.407    25.000   25.000 1000.000 !  3.390  0.30/0.30: 200
1:C_12:H5          1:U5'_11B:H6          2.469    4.585    25.000   25.000 1000.000 !  3.527  0.30/0.30: 200
1:C_12:H5          1:U5'_11B:H2'         2.406    4.468    25.000   25.000 1000.000 !  3.437  0.30/0.30: 200
1:C_12:H6          1:C_12:H5          1.665    3.093    25.000   25.000 1000.000 !  2.379  0.30/0.30: 200
1:C_12:H6          1:C_12:H2'          1.900    5.000    25.000   25.000 1000.000 !  2.714  0.30/0.30: 200 overlap
1:C_12:H6          1:G_13:H8          2.208    5.153    25.000   25.000 1000.000 !  3.681  0.40/0.40: 400
1:C_12:H1'         1:A3'_11:H2           2.878    5.345    25.000   25.000 1000.000 !  4.111  0.30/0.30: 200
1:C_12:H1'         1:C_12:H6          1.632    3.808    25.000   25.000 1000.000 !  2.720  0.40/0.40: 400
1:C_12:H1'         1:C_12:H2'          1.809    3.359    25.000   25.000 1000.000 !  2.584  0.30/0.30: 200
1:C_12:H1'         1:C_12:H3'          2.180    4.049    25.000   25.000 1000.000 !  3.114  0.30/0.30: 200
1:C_12:H1'         1:C_12:H4'          2.558    4.751    25.000   25.000 1000.000 !  3.655  0.30/0.30: 200
1:C_12:H1'         1:G_13:H8          2.614    4.854    25.000   25.000 1000.000 !  3.734  0.30/0.30: 200
1:C_12:H2'         1:G_13:H8          1.738    3.227    25.000   25.000 1000.000 !  2.482  0.30/0.30: 200
1:G_13:H8          1:C_12:H3'          2.104    3.908    25.000   25.000 1000.000 !  3.006  0.30/0.30: 200
1:G_13:H8          1:G_13:H1'          2.601    4.830    25.000   25.000 1000.000 !  3.716  0.30/0.30: 200
1:G_13:H8          1:G_13:H4'          2.474    4.594    25.000   25.000 1000.000 !  3.534  0.30/0.30: 200
1:G_13:H8          1:U_14:H6          2.930    5.441    25.000   25.000 1000.000 !  4.185  0.30/0.30: 200
1:G_13:H1'         1:G_13:H3'          2.080    3.862    25.000   25.000 1000.000 !  2.971  0.30/0.30: 200
1:G_13:H1'         1:G_13:H4'          2.283    4.240    25.000   25.000 1000.000 !  3.262  0.30/0.30: 200
1:G_13:H1'         1:U_14:H6          2.781    5.164    25.000   25.000 1000.000 !  3.973  0.30/0.30: 200
1:G_13:H2'         1:G_13:H1'          1.886    3.503    25.000   25.000 1000.000 !  2.695  0.30/0.30: 200
1:G_13:H2'         1:U_14:H6          1.632    3.030    25.000   25.000 1000.000 !  2.331  0.30/0.30: 200
1:U_14:H5          1:G_13:H8          2.655    4.931    25.000   25.000 1000.000 !  3.793  0.30/0.30: 200
1:U_14:H5          1:G_13:H2'          2.671    4.961    25.000   25.000 1000.000 !  3.816  0.30/0.30: 200
1:U_14:H5          1:U_14:H6          1.778    3.302    25.000   25.000 1000.000 !  2.540  0.30/0.30: 200
1:U_14:H5          1:U_14:H3'          2.468    5.000    25.000   25.000 1000.000 !  3.525  0.30/0.30: 200 overlap
1:U_14:H1'         1:G_13:H2'          3.147    5.844    25.000   25.000 1000.000 !  4.496  0.30/0.30: 200
1:U_14:H1'         1:U_14:H6          3.128    5.810    25.000   25.000 1000.000 !  4.469  0.30/0.30: 200
1:U_14:H1'         1:U_14:H3'          2.113    3.924    25.000   25.000 1000.000 !  3.019  0.30/0.30: 200
1:U_14:H1'         1:U_15:H6          2.637    4.897    25.000   25.000 1000.000 !  3.767  0.30/0.30: 200
!1:U_14:H1'         1:U_15:H1'          2.938    5.457    25.000   25.000 1000.000 !  4.198  0.30/0.30: 200
1:U_14:H2'         1:U_14:H1'          1.845    3.426    25.000   25.000 1000.000 !  2.635  0.30/0.30: 200
1:U_14:H2'         1:U_15:H6          1.577    2.929    25.000   25.000 1000.000 !  2.253  0.30/0.30: 200
1:U_14:H4'         1:U_14:H1'          2.875    5.340    25.000   25.000 1000.000 !  4.108  0.30/0.30: 200
1:U_15:H5          1:U_14:H6          2.562    5.978    25.000   25.000 1000.000 !  4.270  0.40/0.40: 400
1:U_15:H5          1:U_14:H2'          2.739    5.087    25.000   25.000 1000.000 !  3.913  0.30/0.30: 200
1:U_15:H5          1:U_15:H6          1.770    3.286    25.000   25.000 1000.000 !  2.528  0.30/0.30: 200
!1:U_15:H5          1:U_15:H1'          2.296    4.263    25.000   25.000 1000.000 !  3.279  0.30/0.30: 200 too tigt
1:U_15:H6          1:U_15:H2'          1.763    4.114    25.000   25.000 1000.000 !  2.939  0.40/0.40: 400
1:U_15:H6          1:U_15:H3'          1.806    3.354    25.000   25.000 1000.000 !  2.580  0.30/0.30: 200
1:U_15:H6          1:A_16:H8          2.924    5.430    25.000   25.000 1000.000 !  4.177  0.30/0.30: 200
1:U_15:H1'         1:U_15:H6          2.546    4.729    25.000   25.000 1000.000 !  3.637  0.30/0.30: 200
1:U_15:H1'         1:U_15:H4'          2.041    3.790    25.000   25.000 1000.000 !  2.915  0.30/0.30: 200
1:U_15:H1'         1:A_16:H8          3.119    5.793    25.000   25.000 1000.000 !  4.456  0.30/0.30: 200
1:U_15:H2'         1:U_15:H1'          1.866    3.466    25.000   25.000 1000.000 !  2.666  0.30/0.30: 200
1:U_15:H2'         1:A_16:H8          1.741    4.062    25.000   25.000 1000.000 !  2.901  0.40/0.40: 400
1:A_16:H8          1:U_15:H3'          2.260    4.197    25.000   25.000 1000.000 !  3.228  0.30/0.30: 200
1:A_16:H8          1:A_16:H1'          2.578    4.788    25.000   25.000 1000.000 !  3.683  0.30/0.30: 200
1:A_16:H8          1:A_16:H2'          2.154    4.000    25.000   25.000 1000.000 !  3.077  0.30/0.30: 200
1:A_16:H8          1:A_16:H3'          2.128    3.952    25.000   25.000 1000.000 !  3.040  0.30/0.30: 200
1:A_16:H8          1:A_16:H4'          3.306    6.140    25.000   25.000 1000.000 !  4.723  0.30/0.30: 200
1:A_16:H8          1:A_17:H8          3.553    8.361    25.000   25.000 1000.000 !  5.992  0.40/0.40: 400
1:A_16:H1'         1:A_16:H2'          2.482    4.609    25.000   25.000 1000.000 !  3.546  0.30/0.30: 200
1:A_16:H1'         1:A_16:H3'          2.298    5.362    25.000   25.000 1000.000 !  3.830  0.40/0.40: 400
1:A_16:H1'         1:A_16:H4'          2.941    5.462    25.000   25.000 1000.000 !  4.202  0.30/0.30: 200
1:A_16:H1'         1:A_17:H8          2.808    5.215    25.000   25.000 1000.000 !  4.011  0.30/0.30: 200
1:A_17:H8          1:A_16:H2'          1.522    3.551    25.000   25.000 1000.000 !  2.536  0.40/0.40: 400
!1:A_17:H8          1:A_17:H2'          1.718    3.191    25.000   25.000 1000.000 !  2.455  0.30/0.30: 200 overlap
1:A_17:H8          1:A_17:H3'          1.848    3.432    25.000   25.000 1000.000 !  2.640  0.30/0.30: 200
1:A_17:H8          1:U_18:H5          3.180    7.420    25.000   25.000 1000.000 !  5.300  0.40/0.40: 400
1:A_17:H8          1:U_18:H6          2.837    5.268    25.000   25.000 1000.000 !  4.053  0.30/0.30: 200
1:A_17:H1'         1:A_17:H8          2.315    4.299    25.000   25.000 1000.000 !  3.307  0.30/0.30: 200
1:A_17:H1'         1:A_17:H4'          2.196    5.125    25.000   25.000 1000.000 !  3.660  0.40/0.40: 400
1:A_17:H1'         1:U_18:H6          2.430    5.670    25.000   25.000 1000.000 !  4.050  0.40/0.40: 400
1:A_17:H2'         1:A_17:H1'          1.708    3.172    25.000   25.000 1000.000 !  2.440  0.30/0.30: 200
1:A_17:H2'         1:U_18:H6          1.000    5.000    25.000   25.000 1000.000 !  3.211  0.30/0.30: 200 overlap
1:A_17:H3'         1:A_17:H1'          2.787    5.176    25.000   25.000 1000.000 !  3.981  0.30/0.30: 200
!1:U_18:H5          1:U_18:H6          2.518    4.677    25.000   25.000 1000.000 !  3.597  0.30/0.30: 200 broad
1:U_18:H6          1:A_17:H3'          1.776    3.299    25.000   25.000 1000.000 !  2.538  0.30/0.30: 200
1:U_18:H2'         1:C_19:H6          1.637    3.039    25.000   25.000 1000.000 !  2.338  0.30/0.30: 200
1:C_19:H5          1:C_19:H6          1.723    3.200    25.000   25.000 1000.000 !  2.462  0.30/0.30: 200
1:C_19:H6          1:U_18:H2'          1.637    3.039    25.000   25.000 1000.000 !  2.338  0.30/0.30: 200
1:C_19:H1'         1:C_19:H6          2.931    6.839    25.000   25.000 1000.000 !  4.885  0.40/0.40: 400
1:C_19:H1'         1:C_19:H3'          3.093    5.744    25.000   25.000 1000.000 !  4.419  0.30/0.30: 200
1:C_19:H1'         1:C_19:H4'          2.769    5.142    25.000   25.000 1000.000 !  3.956  0.30/0.30: 200
1:C_19:H1'         1:U_20:H6          2.355    5.494    25.000   25.000 1000.000 !  3.924  0.40/0.40: 400
1:C_19:H2'         1:C_19:H1'          2.179    4.047    25.000   25.000 1000.000 !  3.113  0.30/0.30: 200
1:C_19:H2'         1:U_20:H5          2.514    4.670    25.000   25.000 1000.000 !  3.592  0.30/0.30: 200
1:C_19:H2'         1:U_20:H6          1.590    2.953    25.000   25.000 1000.000 !  2.272  0.30/0.30: 200
1:U_18:H2'         1:C_19:H5          2.615    4.857    25.000   25.000 1000.000 !  3.736  0.30/0.30: 200
1:U_20:H5          1:C_19:H6          2.589    4.808    25.000   25.000 1000.000 !  3.698  0.30/0.30: 200
!1:U_20:H5          1:C_19:H4'          3.176    7.410    25.000   25.000 1000.000 !  5.293  0.40/0.40: 400 asn
1:U_20:H5          1:U_20:H6          1.747    3.244    25.000   25.000 1000.000 !  2.495  0.30/0.30: 200
1:U_20:H5          1:C_21:H5          2.631    4.886    25.000   25.000 1000.000 !  3.759  0.30/0.30: 200
!1:U_20:H6          1:C_19:H4'          2.336    4.339    25.000   25.000 1000.000 !  3.338  0.30/0.30: 200 asn
1:U_20:H6          1:U_20:H2'          2.220    4.122    25.000   25.000 1000.000 !  3.171  0.30/0.30: 200
1:U_20:H6          1:U_20:H3'          1.763    3.274    25.000   25.000 1000.000 !  2.518  0.30/0.30: 200
1:U_20:H6          1:C_19:H3'          1.951    3.622    25.000   25.000 1000.000 !  2.786  0.30/0.30: 200
1:U_20:H1'         1:C_19:H2'          3.142    5.835    25.000   25.000 1000.000 !  4.489  0.30/0.30: 200
1:U_20:H1'         1:U_20:H6          2.599    4.826    25.000   25.000 1000.000 !  3.712  0.30/0.30: 200
1:U_20:H1'         1:U_20:H2'          1.738    3.227    25.000   25.000 1000.000 !  2.482  0.30/0.30: 200
1:U_20:H1'         1:U_20:H3'          2.185    4.058    25.000   25.000 1000.000 !  3.121  0.30/0.30: 200
1:U_20:H1'         1:U_20:H4'          2.012    3.737    25.000   25.000 1000.000 !  2.874  0.30/0.30: 200
1:U_20:H1'         1:C_21:H5          2.779    5.161    25.000   25.000 1000.000 !  3.970  0.40/0.40: 400
1:U_20:H1'         1:C_21:H6          2.744    5.097    25.000   25.000 1000.000 !  3.921  0.30/0.30: 200
1:U_20:H2'         1:C_21:H5          2.285    4.244    25.000   25.000 1000.000 !  3.265  0.30/0.30: 200
1:U_20:H2'         1:C_21:H6          1.523    2.828    25.000   25.000 1000.000 !  2.175  0.30/0.30: 200
1:C_21:H5          1:U_20:H6          2.191    6.572    25.000   25.000 1000.000 !  4.381  0.60/0.60: 600
1:C_21:H5          1:U_20:H3'          2.713    5.038    25.000   25.000 1000.000 !  3.875  0.30/0.30: 200
1:C_21:H5          1:C_21:H6          1.725    3.204    25.000   25.000 1000.000 !  2.465  0.30/0.30: 200
1:C_21:H6          1:U_20:H3'          1.886    3.503    25.000   25.000 1000.000 !  2.695  0.30/0.30: 200
1:C_21:H6          1:C_21:H3'          1.861    3.457    25.000   25.000 1000.000 !  2.659  0.30/0.30: 200
!1:C_21:H6          1:P_22:H8          3.394    6.000    25.000   25.000 1000.000 !  4.848  0.30/0.30: 200
1:C_21:H1'         1:C_21:H6          2.654    4.928    25.000   25.000 1000.000 !  3.791  0.30/0.30: 200
1:C_21:H1'         1:C_21:H2'          1.802    3.347    25.000   25.000 1000.000 !  2.574  0.30/0.30: 200
1:C_21:H1'         1:C_21:H3'          2.346    4.357    25.000   25.000 1000.000 !  3.351  0.30/0.30: 200
1:C_21:H1'         1:C_21:H4'          1.996    3.707    25.000   25.000 1000.000 !  2.851  0.30/0.30: 200
1:C_21:H2'         1:C_21:H6          1.796    4.190    25.000   25.000 1000.000 !  2.993  0.40/0.40: 400
!1:P_22:H6          1:C_21:H5          4.640    6.000    25.000   25.000 1000.000 !  6.629  0.30/0.30: 200
!1:P_22:H6          1:P_22:H2          3.755    6.000    25.000   25.000 1000.000 !  5.364  0.30/0.30: 200
!1:P_22:H8          1:C_21:H5          4.042    6.000    25.000   25.000 1000.000 !  5.774  0.30/0.30: 200
!1:P_22:H8          1:C_21:H1'          2.969    5.514    25.000   25.000 1000.000 !  4.241  0.30/0.30: 200
!1:P_22:H8          1:C_21:H2'O          1.612    2.994    25.000   25.000 1000.000 !  2.303  0.30/0.30: 200
!1:P_22:H8          1:C_21:H4'          1.984    3.685    25.000   25.000 1000.000 !  2.835  0.30/0.30: 200
!1:P_22:H8          1:P_22:H1'          2.706    5.026    25.000   25.000 1000.000 !  3.866  0.30/0.30: 200
!1:P_22:H1'         1:P_22:H2          3.430    6.000    25.000   25.000 1000.000 !  4.900  0.30/0.30: 200
!1:P_22:H1'         1:P_22:H3'          2.433    4.518    25.000   25.000 1000.000 !  3.476  0.30/0.30: 200
!1:P_22:H2'         1:P_22:H8          2.421    4.495    25.000   25.000 1000.000 !  3.458  0.30/0.30: 200
!1:P_22:H2'         1:P_22:H1'          1.925    3.575    25.000   25.000 1000.000 !  2.750  0.30/0.30: 200
!1:P_22:H3'         1:P_22:H8          1.637    3.039    25.000   25.000 1000.000 !  2.338  0.30/0.30: 200
!1:P_22:H4'         1:P_22:H1'          2.619    4.864    25.000   25.000 1000.000 !  3.741  0.30/0.30: 200
!
!AH2 Restraints in the Loop
!
1:A_6:H2           1:A_17:H1'          2.386    4.431    25.000   25.000 1000.000 !  3.409  0.30/0.30: 200
1:G_7:H1'          1:A_6:H2          2.537    4.711    25.000   25.000 1000.000 !  3.624  0.30/0.30: 200 
1:A_17:H2          1:A_6:H1'          2.658    4.936    25.000   25.000 1000.000 !  3.797  0.30/0.30: 200
!
!No confirmation
!1:A_5:H8           1:A_17:H2          2.559    4.753    25.000   25.000 1000.000 !  3.656  0.30/0.30: 200 ?
!1:A_5:H1'          1:A_5:H2          3.212    5.965    25.000   25.000 1000.000 !  4.588  0.30/0.30: 200
!1:A_6:H2           1:G_7:H8          3.008    7.018    25.000   25.000 1000.000 !  5.013  0.40/0.40: 400 
!1:A_6:H2           1:A_16:H2          2.503    4.649    25.000   25.000 1000.000 !  3.576  0.30/0.30: 200
!1:A_17:H1'         1:A_17:H2          1.990    5.969    25.000   25.000 1000.000 !  3.979  0.60/0.60: 600
!
!Cobalt Hexamine Restraints
!
!1:U_14:H3           2:NCO_28H:HN11       2.239    4.158    25.000   25.000 1000.000 !
!1:G_8:H1            2:NCO_28H:HN11       3.114    5.784    25.000   25.000 1000.000 !
!1:G_13:H1           2:NCO_28H:HN11       3.314    6.154    25.000   25.000 1000.000 !
!
!To force A-A pairs sheared
1:A_17:H62           1:A_5:N3             1.435    2.665    25.000   25.000 1000.000
1:A_17:H61           1:A_5:O2'            1.526    2.834    25.000   25.000 1000.000
1:A_6:H61            1:A_16:N3            1.435    2.665    25.000   25.000 1000.000
1:A_6:H62            1:A_16:O2'           1.526    2.834    25.000   25.000 1000.000
!1:A_5:H2             1:A_17:N7            2.000    5.000    25.000   25.000 1000.000
!1:A_16:H2            1:A_6:N7             2.000    5.000    25.000   25.000 1000.000
!1:A_5:H2             1:A_17:H8            2.000    5.000    25.000   25.000 1000.000
!1:A_16:H2            1:A_6:H8             2.000    5.000    25.000   25.000 1000.000
!
!**********************************************
!  DIHEDRAL RESTRAINTS
!**********************************************
! (FROM CHEN)
!
#NMR_dihedral
!
!SUGAR PHOSPHATE BACKBONE TORSION ANGLES
!
!alpha    P-O5'; first strand
1:G5'_1:O3'        1:A_2:P            1:A_2:O5'          1:A_2:C5'          -98.000 -38.000 50.00 50.00 1000.000
1:A_2:O3'          1:G_3:P            1:G_3:O5'          1:G_3:C5'          -98.000 -38.000 50.00 50.00 1000.000
!1:G_3:O3'          1:G_4:P            1:G_4:O5'          1:G_4:C5'          -98.000 -38.000 50.00 50.00 1000.000
!1:G_4:O3'          1:A_5:P            1:A_5:O5'          1:A_5:C5'          -98.000 -38.000 50.00 50.00 1000.000
!1:A_5:O3'          1:A_6:P            1:A_6:O5'          1:A_6:C5'          -98.000 -38.000 50.00 50.00 1000.000
!1:A_6:O3'          1:G_7:P            1:G_7:O5'          1:G_7:C5'          -98.000 -38.000 50.00 50.00 1000.000
!1:G_7:O3'          1:G_8:P            1:G_8:O5'          1:G_8:C5'          -98.000 -38.000 50.00 50.00 1000.000
1:G_8:O3'          1:C_9:P            1:C_9:O5'          1:C_9:C5'          -98.000 -38.000 50.00 50.00 1000.000
1:C_9:O3'          1:G_10:P           1:G_10:O5'         1:G_10:C5'         -98.000 -38.000 50.00 50.00 1000.000
1:G_10:O3'         1:A3'_11:P         1:A3'_11:O5'       1:A3'_11:C5'       -98.000 -38.000 50.00 50.00 1000.000
1:U5'_11B:O3'      1:C_12:P           1:C_12:O5'         1:C_12:C5'         -98.000 -38.000 50.00 50.00 1000.000
1:C_12:O3'         1:G_13:P           1:G_13:O5'         1:G_13:C5'         -98.000 -38.000 50.00 50.00 1000.000
1:G_13:O3'         1:U_14:P           1:U_14:O5'         1:U_14:C5'         -98.000 -38.000 50.00 50.00 1000.000
!1:U_14:O3'         1:U_15:P           1:U_15:O5'         1:U_15:C5'         -98.000 -38.000 50.00 50.00 1000.000
!1:U_15:O3'         1:A_16:P           1:A_16:O5'         1:A_16:C5'         -98.000 -38.000 50.00 50.00 1000.000
1:A_16:O3'         1:A_17:P           1:A_17:O5'         1:A_17:C5'         -98.000 -38.000 50.00 50.00 1000.000
!1:A_17:O3'         1:U_18:P           1:U_18:O5'         1:U_18:C5'         -98.000 -38.000 50.00 50.00 1000.000
!1:U_18:O3'         1:C_19:P           1:C_19:O5'         1:C_19:C5'         -98.000 -38.000 50.00 50.00 1000.000
1:C_19:O3'         1:U_20:P           1:U_20:O5'         1:U_20:C5'         -98.000 -38.000 50.00 50.00 1000.000
1:U_20:O3'         1:C_21:P           1:C_21:O5'         1:C_21:C5'         -98.000 -38.000 50.00 50.00 1000.000
!1:C_21:O3'         1:PUR_22:P         1:PUR_22:O5'       1:PUR_22:C5'       -98.000 -38.000 50.00 50.00 1000.000
!
!beta      O5'-C5'; first strand
1:A_2:P            1:A_2:O5'          1:A_2:C5'          1:A_2:C4'          120.000 -120.000 50.00 50.00 1000.000
1:G_3:P            1:G_3:O5'          1:G_3:C5'          1:G_3:C4'          120.000 -120.000 50.00 50.00 1000.000
!1:G_4:P            1:G_4:O5'          1:G_4:C5'          1:G_4:C4'          120.000 -120.000 50.00 50.00 1000.000
1:A_5:P            1:A_5:O5'          1:A_5:C5'          1:A_5:C4'          120.000 -120.000 50.00 50.00 1000.000
1:A_6:P            1:A_6:O5'          1:A_6:C5'          1:A_6:C4'          120.000 -120.000 50.00 50.00 1000.000
!1:G_7:P            1:G_7:O5'          1:G_7:C5'          1:G_7:C4'          120.000 -120.000 50.00 50.00 1000.000
1:G_8:P            1:G_8:O5'          1:G_8:C5'          1:G_8:C4'          120.000 -120.000 50.00 50.00 1000.000
1:C_9:P            1:C_9:O5'          1:C_9:C5'          1:C_9:C4'          120.000 -120.000 50.00 50.00 1000.000
1:G_10:P           1:G_10:O5'         1:G_10:C5'         1:G_10:C4'         120.000 -120.000 50.00 50.00 1000.000
1:A3'_11:P         1:A3'_11:O5'       1:A3'_11:C5'       1:A3'_11:C4'       120.000 -120.000 50.00 50.00 1000.000
1:C_12:P           1:C_12:O5'         1:C_12:C5'         1:C_12:C4'         120.000 -120.000 50.00 50.00 1000.000
1:G_13:P           1:G_13:O5'         1:G_13:C5'         1:G_13:C4'         120.000 -120.000 50.00 50.00 1000.000
1:U_14:P           1:U_14:O5'         1:U_14:C5'         1:U_14:C4'         120.000 -120.000 50.00 50.00 1000.000
!1:U_15:P           1:U_15:O5'         1:U_15:C5'         1:U_15:C4'         120.000 -120.000 50.00 50.00 1000.000
1:A_16:P           1:A_16:O5'         1:A_16:C5'         1:A_16:C4'         120.000 -120.000 50.00 50.00 1000.000
1:A_17:P           1:A_17:O5'         1:A_17:C5'         1:A_17:C4'         120.000 -120.000 50.00 50.00 1000.000
!1:U_18:P           1:U_18:O5'         1:U_18:C5'         1:U_18:C4'         120.000 -120.000 50.00 50.00 1000.000
1:C_19:P           1:C_19:O5'         1:C_19:C5'         1:C_19:C4'         120.000 -120.000 50.00 50.00 1000.000
1:U_20:P           1:U_20:O5'         1:U_20:C5'         1:U_20:C4'         120.000 -120.000 50.00 50.00 1000.000
1:C_21:P           1:C_21:O5'         1:C_21:C5'         1:C_21:C4'         120.000 -120.000 50.00 50.00 1000.000
!1:PUR_22:P         1:PUR_22:O5'       1:PUR_22:C5'       1:PUR_22:C4'       120.000 -120.000 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'        0.000 120.000 50.00 50.00 1000.000
1:A_2:O5'          1:A_2:C5'          1:A_2:C4'          1:A_2:C3'          0.000 120.000 50.00 50.00 1000.000
1:G_3:O5'          1:G_3:C5'          1:G_3:C4'          1:G_3:C3'          0.000 120.000 50.00 50.00 1000.000
!1:G_4:O5'          1:G_4:C5'          1:G_4:C4'          1:G_4:C3'          0.000 120.000 50.00 50.00 1000.000
1:A_5:O5'          1:A_5:C5'          1:A_5:C4'          1:A_5:C3'          0.000 120.000 50.00 50.00 1000.000
1:A_6:O5'          1:A_6:C5'          1:A_6:C4'          1:A_6:C3'          0.000 120.000 50.00 50.00 1000.000
!1:G_7:O5'          1:G_7:C5'          1:G_7:C4'          1:G_7:C3'          0.000 120.000 50.00 50.00 1000.000
1:G_8:O5'          1:G_8:C5'          1:G_8:C4'          1:G_8:C3'          0.000 120.000 50.00 50.00 1000.000
1:C_9:O5'          1:C_9:C5'          1:C_9:C4'          1:C_9:C3'          0.000 120.000 50.00 50.00 1000.000
1:G_10:O5'         1:G_10:C5'         1:G_10:C4'         1:G_10:C3'         0.000 120.000 50.00 50.00 1000.000
1:A3'_11:O5'       1:A3'_11:C5'       1:A3'_11:C4'       1:A3'_11:C3'       0.000 120.000 50.00 50.00 1000.000
1:U5'_11B:O5'      1:U5'_11B:C5'      1:U5'_11B:C4'      1:U5'_11B:C3'      0.000 120.000 50.00 50.00 1000.000
1:C_12:O5'         1:C_12:C5'         1:C_12:C4'         1:C_12:C3'         0.000 120.000 50.00 50.00 1000.000
1:G_13:O5'         1:G_13:C5'         1:G_13:C4'         1:G_13:C3'         0.000 120.000 50.00 50.00 1000.000
1:U_14:O5'         1:U_14:C5'         1:U_14:C4'         1:U_14:C3'         0.000 120.000 50.00 50.00 1000.000
!1:U_15:O5'         1:U_15:C5'         1:U_15:C4'         1:U_15:C3'         0.000 120.000 50.00 50.00 1000.000
1:A_16:O5'         1:A_16:C5'         1:A_16:C4'         1:A_16:C3'         0.000 120.000 50.00 50.00 1000.000
1:A_17:O5'         1:A_17:C5'         1:A_17:C4'         1:A_17:C3'         0.000 120.000 50.00 50.00 1000.000
!1:U_18:O5'         1:U_18:C5'         1:U_18:C4'         1:U_18:C3'       0.000 120.000 50.00 50.00 1000.000
1:C_19:O5'         1:C_19:C5'         1:C_19:C4'         1:C_19:C3'         0.000 120.000 50.00 50.00 1000.000
1:U_20:O5'         1:U_20:C5'         1:U_20:C4'         1:U_20:C3'         0.000 120.000 50.00 50.00 1000.000
1:C_21:O5'         1:C_21:C5'         1:C_21:C4'         1:C_21:C3'         0.000 120.000 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'        72.000 92.000 50.00 50.00 1000.000
!1:A_2:C5'          1:A_2:C4'          1:A_2:C3'          1:A_2:O3'          72.000 92.000 50.00 50.00 1000.000
!1:G_3:C5'          1:G_3:C4'          1:G_3:C3'          1:G_3:O3'          72.000 92.000 50.00 50.00 1000.000
!1:G_4:C5'          1:G_4:C4'          1:G_4:C3'          1:G_4:O3'          72.000 92.000 50.00 50.00 1000.000
!1:A_5:C5'          1:A_5:C4'          1:A_5:C3'          1:A_5:O3'          72.000 92.000 50.00 50.00 1000.000
!1:A_6:C5'          1:A_6:C4'          1:A_6:C3'          1:A_6:O3'          72.000 92.000 50.00 50.00 1000.000
!1:G_7:C5'          1:G_7:C4'          1:G_7:C3'          1:G_7:O3'          147.000 167.000 50.00 50.00 1000.000
!1:G_8:C5'          1:G_8:C4'          1:G_8:C3'          1:G_8:O3'          72.000 92.000 50.00 50.00 1000.000
!1:C_9:C5'          1:C_9:C4'          1:C_9:C3'          1:C_9:O3'          72.000 92.000 50.00 50.00 1000.000
!1:G_10:C5'         1:G_10:C4'         1:G_10:C3'         1:G_10:O3'         72.000 92.000 50.00 50.00 1000.000
!1:A3'_11:C5'       1:A3'_11:C4'       1:A3'_11:C3'       1:A3'_11:O3'       147.000 167.000 50.00 50.00 1000.000
!1:U5'_11B:C5'      1:U5'_11B:C4'      1:U5'_11B:C3'      1:U5'_11B:O3'      147.000 167.000 50.00 50.00 1000.000
!1:C_12:C5'         1:C_12:C4'         1:C_12:C3'         1:C_12:O3'         72.000 92.000 50.00 50.00 1000.000
!1:G_13:C5'         1:G_13:C4'         1:G_13:C3'         1:G_13:O3'         72.000 92.000 50.00 50.00 1000.000
!1:U_14:C5'         1:U_14:C4'         1:U_14:C3'         1:U_14:O3'         72.000 92.000 50.00 50.00 1000.000
!1:U_15:C5'         1:U_15:C4'         1:U_15:C3'         1:U_15:O3'         72.000 92.000 50.00 50.00 1000.000
!1:A_16:C5'         1:A_16:C4'         1:A_16:C3'         1:A_16:O3'         72.000 167.000 50.00 50.00 1000.000
!1:A_17:C5'         1:A_17:C4'         1:A_17:C3'         1:A_17:O3'         72.000 167.000 50.00 50.00 1000.000
!1:U_18:C5'         1:U_18:C4'         1:U_18:C3'         1:U_18:O3'         22.000 -143.000 50.00 50.00 1000.000
!1:C_19:C5'         1:C_19:C4'         1:C_19:C3'         1:C_19:O3'         72.000 92.000 50.00 50.00 1000.000
!1:U_20:C5'         1:U_20:C4'         1:U_20:C3'         1:U_20:O3'         72.000 92.000 50.00 50.00 1000.000
!1:C_21:C5'         1:C_21:C4'         1:C_21:C3'         1:C_21:O3'         72.000 92.000 50.00 50.00 1000.000
!1:PUR_22:C5'       1:PUR_22:C4'       1:PUR_22:C3'       1:PUR_22:O3'       52.000 112.000 50.00 50.00 1000.000
!
!epsilon   C3'-O3'; first strand
1:G5'_1:C4'        1:G5'_1:C3'        1:G5'_1:O3'        1:A_2:P            -180.000 -123.000 50.00 50.00 1000.000
1:A_2:C4'          1:A_2:C3'          1:A_2:O3'          1:G_3:P            -180.000 -123.000 50.00 50.00 1000.000
1:G_3:C4'          1:G_3:C3'          1:G_3:O3'          1:G_4:P            -180.000 -123.000 50.00 50.00 1000.000
!1:G_4:C4'          1:G_4:C3'          1:G_4:O3'          1:A_5:P            -180.000 -123.000 50.00 50.00 1000.000
!1:A_5:C4'          1:A_5:C3'          1:A_5:O3'          1:A_6:P            -180.000 -123.000 50.00 50.00 1000.000
1:A_6:C4'          1:A_6:C3'          1:A_6:O3'          1:G_7:P            -180.000 -123.000 50.00 50.00 1000.000
!1:G_7:C4'          1:G_7:C3'          1:G_7:O3'          1:G_8:P            -180.000 -123.000 50.00 50.00 1000.000
1:G_8:C4'          1:G_8:C3'          1:G_8:O3'          1:C_9:P            -180.000 -123.000 50.00 50.00 1000.000
1:C_9:C4'          1:C_9:C3'          1:C_9:O3'          1:G_10:P           -180.000 -123.000 50.00 50.00 1000.000
1:G_10:C4'         1:G_10:C3'         1:G_10:O3'         1:A3'_11:P         -180.000 -123.000 50.00 50.00 1000.000
1:U5'_11B:C4'      1:U5'_11B:C3'      1:U5'_11B:O3'      1:C_12:P           -180.000 -123.000 50.00 50.00 1000.000
1:C_12:C4'         1:C_12:C3'         1:C_12:O3'         1:G_13:P           -180.000 -123.000 50.00 50.00 1000.000
1:G_13:C4'         1:G_13:C3'         1:G_13:O3'         1:U_14:P           -180.000 -123.000 50.00 50.00 1000.000
1:U_14:C4'         1:U_14:C3'         1:U_14:O3'         1:U_15:P           -180.000 -123.000 50.00 50.00 1000.000
!1:U_15:C4'         1:U_15:C3'         1:U_15:O3'         1:A_16:P           -180.000 -123.000 50.00 50.00 1000.000
!1:A_16:C4'         1:A_16:C3'         1:A_16:O3'         1:A_17:P           -180.000 -123.000 50.00 50.00 1000.000
!1:A_17:C4'         1:A_17:C3'         1:A_17:O3'         1:U_18:P           -180.000 -123.000 50.00 50.00 1000.000
!1:U_18:C4'         1:U_18:C3'         1:U_18:O3'         1:C_19:P           -180.000 -123.000 50.00 50.00 1000.000
1:C_19:C4'         1:C_19:C3'         1:C_19:O3'         1:U_20:P           -180.000 -123.000 50.00 50.00 1000.000
1:U_20:C4'         1:U_20:C3'         1:U_20:O3'         1:C_21:P           -180.000 -123.000 50.00 50.00 1000.000
!1:C_21:C4'         1:C_21:C3'         1:C_21:O3'         1:PUR_22:P         -180.000 -123.000 50.00 50.00 1000.000
!
!zeta      O3'-P; first strand
1:G5'_1:C3'        1:G5'_1:O3'        1:A_2:P            1:A_2:O5'          -101.000 -41.000 50.00 50.00 1000.000
1:A_2:C3'          1:A_2:O3'          1:G_3:P            1:G_3:O5'          -101.000 -41.000 50.00 50.00 1000.000
!1:G_3:C3'          1:G_3:O3'          1:G_4:P            1:G_4:O5'          -101.000 -41.000 50.00 50.00 1000.000
!1:G_4:C3'          1:G_4:O3'          1:A_5:P            1:A_5:O5'          -101.000 -41.000 50.00 50.00 1000.000
!1:A_5:C3'          1:A_5:O3'          1:A_6:P            1:A_6:O5'          -101.000 -41.000 50.00 50.00 1000.000
!1:A_6:C3'          1:A_6:O3'          1:G_7:P            1:G_7:O5'          -126.000 -41.000 50.00 50.00 1000.000
!1:G_7:C3'          1:G_7:O3'          1:G_8:P            1:G_8:O5'          -126.000 -41.000 50.00 50.00 1000.000
1:G_8:C3'          1:G_8:O3'          1:C_9:P            1:C_9:O5'          -101.000 -41.000 50.00 50.00 1000.000
1:C_9:C3'          1:C_9:O3'          1:G_10:P           1:G_10:O5'         -101.000 -41.000 50.00 50.00 1000.000
1:G_10:C3'         1:G_10:O3'         1:A3'_11:P         1:A3'_11:O5'       -101.000 -41.000 50.00 50.00 1000.000
1:U5'_11B:C3'      1:U5'_11B:O3'      1:C_12:P           1:C_12:O5'         -101.000 -41.000 50.00 50.00 1000.000
1:C_12:C3'         1:C_12:O3'         1:G_13:P           1:G_13:O5'         -101.000 -41.000 50.00 50.00 1000.000
1:G_13:C3'         1:G_13:O3'         1:U_14:P           1:U_14:O5'         -101.000 -41.000 50.00 50.00 1000.000
!1:U_14:C3'         1:U_14:O3'         1:U_15:P           1:U_15:O5'         -101.000 -41.000 50.00 50.00 1000.000
!1:U_15:C3'         1:U_15:O3'         1:A_16:P           1:A_16:O5'         -101.000 -41.000 50.00 50.00 1000.000
!1:A_16:C3'         1:A_16:O3'         1:A_17:P           1:A_17:O5'         -101.000 -41.000 50.00 50.00 1000.000
!1:A_17:C3'         1:A_17:O3'         1:U_18:P           1:U_18:O5'         -101.000 -41.000 50.00 50.00 1000.000
!1:U_18:C3'         1:U_18:O3'         1:C_19:P           1:C_19:O5'         -101.000 -41.000 50.00 50.00 1000.000
1:C_19:C3'         1:C_19:O3'         1:U_20:P           1:U_20:O5'         -101.000 -41.000 50.00 50.00 1000.000
1:U_20:C3'         1:U_20:O3'         1:C_21:P           1:C_21:O5'         -101.000 -41.000 50.00 50.00 1000.000
!1:C_21:C3'         1:C_21:O3'         1:PUR_22:P         1:PUR_22:O5'       -101.000 -41.000 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          -180.000 -128.000 50.00 50.00 1000.000
1:A_2:O4'          1:A_2:C1'          1:A_2:N9           1:A_2:C4            -180.000 -128.000 50.00 50.00 1000.000
1:G_3:O4'          1:G_3:C1'          1:G_3:N9           1:G_3:C4            -180.000 -128.000 50.00 50.00 1000.000
!1:G_4:O4'          1:G_4:C1'          1:G_4:N9           1:G_4:C4            -180.000 -128.000 50.00 50.00 1000.000
1:A_5:O4'          1:A_5:C1'          1:A_5:N9           1:A_5:C4            -180.000 -128.000 50.00 50.00 1000.000
1:A_6:O4'          1:A_6:C1'          1:A_6:N9           1:A_6:C4            -180.000 -128.000 50.00 50.00 1000.000
!1:G_7:O4'          1:G_7:C1'          1:G_7:N9           1:G_7:C4            -180.000 -128.000 50.00 50.00 1000.000
1:G_8:O4'          1:G_8:C1'          1:G_8:N9           1:G_8:C4            -180.000 -128.000 50.00 50.00 1000.000
1:C_9:O4'          1:C_9:C1'          1:C_9:N1           1:C_9:C2            -180.000 -128.000 50.00 50.00 1000.000
1:G_10:O4'         1:G_10:C1'         1:G_10:N9          1:G_10:C4           -180.000 -128.000 50.00 50.00 1000.000
1:A3'_11:O4'       1:A3'_11:C1'       1:A3'_11:N9        1:A3'_11:C4         -180.000 -128.000 50.00 50.00 1000.000
1:U5'_11B:O4'      1:U5'_11B:C1'      1:U5'_11B:N1       1:U5'_11B:C2        -180.000 -128.000 50.00 50.00 1000.000
1:C_12:O4'         1:C_12:C1'         1:C_12:N1          1:C_12:C2           -180.000 -128.000 50.00 50.00 1000.000
1:G_13:O4'         1:G_13:C1'         1:G_13:N9          1:G_13:C4           -180.000 -128.000 50.00 50.00 1000.000
1:U_14:O4'         1:U_14:C1'         1:U_14:N1          1:U_14:C2           -180.000 -128.000 50.00 50.00 1000.000
!1:U_15:O4'         1:U_15:C1'         1:U_15:N1          1:U_15:C2           -180.000 -128.000 50.00 50.00 1000.000
1:A_16:O4'         1:A_16:C1'         1:A_16:N9          1:A_16:C4           -180.000 -68.000 50.00 50.00 1000.000
!1:U_18:O4'         1:U_18:C1'         1:U_18:N1          1:U_18:C2           -180.000 -128.000 50.00 50.00 1000.000
1:A_17:O4'         1:A_17:C1'         1:A_17:N9          1:A_17:C4           -180.000 -68.000 50.00 50.00 1000.000
1:C_19:O4'         1:C_19:C1'         1:C_19:N1          1:C_19:C2           -180.000 -128.000 50.00 50.00 1000.000
1:U_20:O4'         1:U_20:C1'         1:U_20:N1          1:U_20:C2           -180.000 -128.000 50.00 50.00 1000.000
1:C_21:O4'         1:C_21:C1'         1:C_21:N1          1:C_21:C2           -180.000 -128.000 50.00 50.00 1000.000
!1:PUR_22:O4'       1:PUR_22:C1'       1:PUR_22:N9        1:PUR_22:C4         -180.000 -128.000 50.00 50.00 1000.000
!
!
!ENDOCYCLIC SUGAR TORSION ANGLES
!
!v0
1:G5'_1:C4'        1:G5'_1:O4'        1:G5'_1:C1'        1:G5'_1:C2'         -15.000 15.000 50.00 50.00 1000.000
1:A_2:C4'          1:A_2:O4'          1:A_2:C1'          1:A_2:C2'           -15.000 15.000 50.00 50.00 1000.000
1:G_3:C4'          1:G_3:O4'          1:G_3:C1'          1:G_3:C2'           -15.000 15.000 50.00 50.00 1000.000
1:G_4:C4'          1:G_4:O4'          1:G_4:C1'          1:G_4:C2'           -15.000 15.000 50.00 50.00 1000.000
1:A_5:C4'          1:A_5:O4'          1:A_5:C1'          1:A_5:C2'           -15.000 15.000 50.00 50.00 1000.000
1:A_6:C4'          1:A_6:O4'          1:A_6:C1'          1:A_6:C2'           -15.000 15.000 50.00 50.00 1000.000
!1:G_7:C4'          1:G_7:O4'          1:G_7:C1'          1:G_7:C2'           -15.000 15.000 50.00 50.00 1000.000
1:G_8:C4'          1:G_8:O4'          1:G_8:C1'          1:G_8:C2'           -15.000 15.000 50.00 50.00 1000.000
1:C_9:C4'          1:C_9:O4'          1:C_9:C1'          1:C_9:C2'           -15.000 15.000 50.00 50.00 1000.000
1:G_10:C4'         1:G_10:O4'         1:G_10:C1'         1:G_10:C2'          -15.000 15.000 50.00 50.00 1000.000
!1:A3'_11:C4'       1:A3'_11:O4'       1:A3'_11:C1'       1:A3'_11:C2'        -19.000 11.000 50.00 50.00 1000.000
!1:U5'_11B:C4'      1:U5'_11B:O4'      1:U5'_11B:C1'      1:U5'_11B:C2'       -19.000 11.000 50.00 50.00 1000.000
1:C_12:C4'         1:C_12:O4'         1:C_12:C1'         1:C_12:C2'          -15.000 15.000 50.00 50.00 1000.000
1:G_13:C4'         1:G_13:O4'         1:G_13:C1'         1:G_13:C2'          -15.000 15.000 50.00 50.00 1000.000
1:U_14:C4'         1:U_14:O4'         1:U_14:C1'         1:U_14:C2'          -15.000 15.000 50.00 50.00 1000.000
1:U_15:C4'         1:U_15:O4'         1:U_15:C1'         1:U_15:C2'          -15.000 15.000 50.00 50.00 1000.000
!1:A_16:C4'         1:A_16:O4'         1:A_16:C1'         1:A_16:C2'          -15.000 15.000 50.00 50.00 1000.000
!1:U_18:C4'         1:U_18:O4'         1:U_18:C1'         1:U_18:C2'          -15.000 15.000 50.00 50.00 1000.000
!1:A_17:C4'         1:A_17:O4'         1:A_17:C1'         1:A_17:C2'          -15.000 15.000 50.00 50.00 1000.000
1:C_19:C4'         1:C_19:O4'         1:C_19:C1'         1:C_19:C2'          -15.000 15.000 50.00 50.00 1000.000
1:U_20:C4'         1:U_20:O4'         1:U_20:C1'         1:U_20:C2'          -15.000 15.000 50.00 50.00 1000.000
1:C_21:C4'         1:C_21:O4'         1:C_21:C1'         1:C_21:C2'          -15.000 15.000 50.00 50.00 1000.000
!1:PUR_22:C4'       1:PUR_22:O4'       1:PUR_22:C1'       1:PUR_22:C2'        -15.000 15.000 50.00 50.00 1000.000
!
!v1
1:G5'_1:O4'        1:G5'_1:C1'        1:G5'_1:C2'        1:G5'_1:C3'         -40.000 -10.000 50.00 50.00 1000.000
1:A_2:O4'          1:A_2:C1'          1:A_2:C2'          1:A_2:C3'           -40.000 -10.000 50.00 50.00 1000.000
1:G_3:O4'          1:G_3:C1'          1:G_3:C2'          1:G_3:C3'           -40.000 -10.000 50.00 50.00 1000.000
1:G_4:O4'          1:G_4:C1'          1:G_4:C2'          1:G_4:C3'           -40.000 -10.000 50.00 50.00 1000.00
1:A_5:O4'          1:A_5:C1'          1:A_5:C2'          1:A_5:C3'           -40.000 -10.000 50.00 50.00 1000.000
1:A_6:O4'          1:A_6:C1'          1:A_6:C2'          1:A_6:C3'           -40.000 -10.000 50.00 50.00 1000.000
!1:G_7:O4'          1:G_7:C1'          1:G_7:C2'          1:G_7:C3'           -40.000 -10.000 50.00 50.00 1000.000
1:G_8:O4'          1:G_8:C1'          1:G_8:C2'          1:G_8:C3'           -40.000 -10.000 50.00 50.00 1000.000
1:C_9:O4'          1:C_9:C1'          1:C_9:C2'          1:C_9:C3'           -40.000 -10.000 50.00 50.00 1000.000
1:G_10:O4'         1:G_10:C1'         1:G_10:C2'         1:G_10:C3'          -40.000 -10.000 50.00 50.00 1000.000
!1:A3'_11:O4'       1:A3'_11:C1'       1:A3'_11:C2'       1:A3'_11:C3'         10.000  40.000 50.00 50.00 1000.000
!1:U5'_11B:O4'      1:U5'_11B:C1'      1:U5'_11B:C2'      1:U5'_11B:C3'        10.000  40.000 50.00 50.00 1000.000
1:C_12:O4'         1:C_12:C1'         1:C_12:C2'         1:C_12:C3'          -40.000 -10.000 50.00 50.00 1000.000
1:G_13:O4'         1:G_13:C1'         1:G_13:C2'         1:G_13:C3'          -40.000 -10.000 50.00 50.00 1000.000
1:U_14:O4'         1:U_14:C1'         1:U_14:C2'         1:U_14:C3'          -40.000 -10.000 50.00 50.00 1000.000
1:U_15:O4'         1:U_15:C1'         1:U_15:C2'         1:U_15:C3'          -40.000 -10.000 50.00 50.00 1000.000
!1:A_16:O4'         1:A_16:C1'         1:A_16:C2'         1:A_16:C3'          -40.000 -10.000 50.00 50.00 1000.000
!1:U_18:O4'         1:U_18:C1'         1:U_18:C2'         1:U_18:C3'          -40.000 -10.000 50.00 50.00 1000.000
!1:A_17:O4'         1:A_17:C1'         1:A_17:C2'         1:A_17:C3'          -40.000 -10.000 50.00 50.00 1000.000
1:C_19:O4'         1:C_19:C1'         1:C_19:C2'         1:C_19:C3'          -40.000 -10.000 50.00 50.00 1000.000
1:U_20:O4'         1:U_20:C1'         1:U_20:C2'         1:U_20:C3'          -40.000 -10.000 50.00 50.00 1000.000
1:C_21:O4'         1:C_21:C1'         1:C_21:C2'         1:C_21:C3'          -40.000 -10.000 50.00 50.00 1000.000
!1:PUR_22:O4'       1:PUR_22:C1'       1:PUR_22:C2'       1:PUR_22:C3'        -40.000 -10.000 50.00 50.00 1000.000
!
!v2
1:G5'_1:C1'        1:G5'_1:C2'        1:G5'_1:C3'        1:G5'_1:C4'         22.000 52.000 50.00 50.00 1000.000
1:A_2:C1'          1:A_2:C2'          1:A_2:C3'          1:A_2:C4'           22.000 52.000 50.00 50.00 1000.000
1:G_3:C1'          1:G_3:C2'          1:G_3:C3'          1:G_3:C4'           22.000 52.000 50.00 50.00 1000.000
1:G_4:C1'          1:G_4:C2'          1:G_4:C3'          1:G_4:C4'           22.000 52.000 50.00 50.00 1000.000
1:A_5:C1'          1:A_5:C2'          1:A_5:C3'          1:A_5:C4'           22.000 52.000 50.00 50.00 1000.000
1:A_6:C1'          1:A_6:C2'          1:A_6:C3'          1:A_6:C4'           22.000 52.000 50.00 50.00 1000.000
!1:G_7:C1'          1:G_7:C2'          1:G_7:C3'          1:G_7:C4'           22.000 52.000 50.00 50.00 1000.000
1:G_8:C1'          1:G_8:C2'          1:G_8:C3'          1:G_8:C4'           22.000 52.000 50.00 50.00 1000.000
1:C_9:C1'          1:C_9:C2'          1:C_9:C3'          1:C_9:C4'           22.000 52.000 50.00 50.00 1000.000
1:G_10:C1'         1:G_10:C2'         1:G_10:C3'         1:G_10:C4'          22.000 52.000 50.00 50.00 1000.000
!1:A3'_11:C1'       1:A3'_11:C2'       1:A3'_11:C3'       1:A3'_11:C4'       -50.000 -20.000 50.00 50.00 1000.000
!1:U5'_11B:C1'      1:U5'_11B:C2'      1:U5'_11B:C3'      1:U5'_11B:C4'      -50.000 -20.000 50.00 50.00 1000.000
1:C_12:C1'         1:C_12:C2'         1:C_12:C3'         1:C_12:C4'          22.000 52.000 50.00 50.00 1000.000
1:G_13:C1'         1:G_13:C2'         1:G_13:C3'         1:G_13:C4'          22.000 52.000 50.00 50.00 1000.000
1:U_14:C1'         1:U_14:C2'         1:U_14:C3'         1:U_14:C4'          22.000 52.000 50.00 50.00 1000.000
1:U_15:C1'         1:U_15:C2'         1:U_15:C3'         1:U_15:C4'          22.000 52.000 50.00 50.00 1000.000
!1:A_16:C1'         1:A_16:C2'         1:A_16:C3'         1:A_16:C4'          22.000 52.000 50.00 50.00 1000.000
!1:U_18:C1'         1:U_18:C2'         1:U_18:C3'         1:U_18:C4'          22.000 52.000 50.00 50.00 1000.000
!1:A_17:C1'         1:A_17:C2'         1:A_17:C3'         1:A_17:C4'          22.000 52.000 50.00 50.00 1000.000
1:C_19:C1'         1:C_19:C2'         1:C_19:C3'         1:C_19:C4'          22.000 52.000 50.00 50.00 1000.000
1:U_20:C1'         1:U_20:C2'         1:U_20:C3'         1:U_20:C4'          22.000 52.000 50.00 50.00 1000.000
1:C_21:C1'         1:C_21:C2'         1:C_21:C3'         1:C_21:C4'          22.000 52.000 50.00 50.00 1000.000
!1:PUR_22:C1'       1:PUR_22:C2'       1:PUR_22:C3'       1:PUR_22:C4'        22.000 52.000 50.00 50.00 1000.000
!
!v3
1:G5'_1:C2'        1:G5'_1:C3'        1:G5'_1:C4'        1:G5'_1:O4'         -51.000 -21.000 50.00 50.00 1000.000
1:A_2:C2'          1:A_2:C3'          1:A_2:C4'          1:A_2:O4'           -51.000 -21.000 50.00 50.00 1000.000
1:G_3:C2'          1:G_3:C3'          1:G_3:C4'          1:G_3:O4'           -51.000 -21.000 50.00 50.00 1000.000
1:G_4:C2'          1:G_4:C3'          1:G_4:C4'          1:G_4:O4'           -51.000 -21.000 50.00 50.00 1000.000
1:A_5:C2'          1:A_5:C3'          1:A_5:C4'          1:A_5:O4'           -51.000 -21.000 50.00 50.00 1000.000
1:A_6:C2'          1:A_6:C3'          1:A_6:C4'          1:A_6:O4'           -51.000 -21.000 50.00 50.00 1000.000
!1:G_7:C2'          1:G_7:C3'          1:G_7:C4'          1:G_7:O4'           -51.000 -21.000 50.00 50.00 1000.000
1:G_8:C2'          1:G_8:C3'          1:G_8:C4'          1:G_8:O4'           -51.000 -21.000 50.00 50.00 1000.000
1:C_9:C2'          1:C_9:C3'          1:C_9:C4'          1:C_9:O4'           -51.000 -21.000 50.00 50.00 1000.000
1:G_10:C2'         1:G_10:C3'         1:G_10:C4'         1:G_10:O4'          -51.000 -21.000 50.00 50.00 1000.000
!1:A3'_11:C2'       1:A3'_11:C3'       1:A3'_11:C4'       1:A3'_11:O4'         18.000  48.000 50.00 50.00 1000.000
!1:U5'_11B:C2'      1:U5'_11B:C3'      1:U5'_11B:C4'      1:U5'_11B:O4'        18.000  48.000 50.00 50.00 1000.000
1:C_12:C2'         1:C_12:C3'         1:C_12:C4'         1:C_12:O4'          -51.000 -21.000 50.00 50.00 1000.000
1:G_13:C2'         1:G_13:C3'         1:G_13:C4'         1:G_13:O4'          -51.000 -21.000 50.00 50.00 1000.000
1:U_14:C2'         1:U_14:C3'         1:U_14:C4'         1:U_14:O4'          -51.000 -21.000 50.00 50.00 1000.000
1:U_15:C2'         1:U_15:C3'         1:U_15:C4'         1:U_15:O4'          -51.000 -21.000 50.00 50.00 1000.000
!1:A_16:C2'         1:A_16:C3'         1:A_16:C4'         1:A_16:O4'          -51.000 -21.000 50.00 50.00 1000.000
!1:U_18:C2'         1:U_18:C3'         1:U_18:C4'         1:U_18:O4'          -51.000 -21.000 50.00 50.00 1000.000
!1:A_17:C2'         1:A_17:C3'         1:A_17:C4'         1:A_17:O4'          -51.000 -21.000 50.00 50.00 1000.000
1:C_19:C2'         1:C_19:C3'         1:C_19:C4'         1:C_19:O4'          -51.000 -21.000 50.00 50.00 1000.000
1:U_20:C2'         1:U_20:C3'         1:U_20:C4'         1:U_20:O4'          -51.000 -21.000 50.00 50.00 1000.000
1:C_21:C2'         1:C_21:C3'         1:C_21:C4'         1:C_21:O4'          -51.000 -21.000 50.00 50.00 1000.000
!1:PUR_22:C2'       1:PUR_22:C3'       1:PUR_22:C4'       1:PUR_22:O4'        -51.000 -21.000 50.00 50.00 1000.000
!
!v4
1:G5'_1:C3'        1:G5'_1:C4'        1:G5'_1:O4'        1:G5'_1:C1'         5.000 35.000 50.00 50.00 1000.000
1:A_2:C3'          1:A_2:C4'          1:A_2:O4'          1:A_2:C1'           5.000 35.000 50.00 50.00 1000.000
1:G_3:C3'          1:G_3:C4'          1:G_3:O4'          1:G_3:C1'           5.000 35.000 50.00 50.00 1000.000
1:G_4:C3'          1:G_4:C4'          1:G_4:O4'          1:G_4:C1'           5.000 35.000 50.00 50.00 1000.000
1:A_5:C3'          1:A_5:C4'          1:A_5:O4'          1:A_5:C1'           5.000 35.000 50.00 50.00 1000.000
1:A_6:C3'          1:A_6:C4'          1:A_6:O4'          1:A_6:C1'           5.000 35.000 50.00 50.00 1000.000
!1:G_7:C3'          1:G_7:C4'          1:G_7:O4'          1:G_7:C1'           5.000 35.000 50.00 50.00 1000.000
1:G_8:C3'          1:G_8:C4'          1:G_8:O4'          1:G_8:C1'           5.000 35.000 50.00 50.00 1000.000
1:C_9:C3'          1:C_9:C4'          1:C_9:O4'          1:C_9:C1'           5.000 35.000 50.00 50.00 1000.000
1:G_10:C3'         1:G_10:C4'         1:G_10:O4'         1:G_10:C1'          5.000 35.000 50.00 50.00 1000.000
!1:A3'_11:C3'       1:A3'_11:C4'       1:A3'_11:O4'       1:A3'_11:C1'        -33.000 -3.000 50.00 50.00 1000.000
!1:U5'_11B:C3'      1:U5'_11B:C4'      1:U5'_11B:O4'      1:U5'_11B:C1'       -33.000 -3.000 50.00 50.00 1000.000
1:C_12:C3'         1:C_12:C4'         1:C_12:O4'         1:C_12:C1'          5.000 35.000 50.00 50.00 1000.000
1:G_13:C3'         1:G_13:C4'         1:G_13:O4'         1:G_13:C1'          5.000 35.000 50.00 50.00 1000.000
1:U_14:C3'         1:U_14:C4'         1:U_14:O4'         1:U_14:C1'          5.000 35.000 50.00 50.00 1000.000
1:U_15:C3'         1:U_15:C4'         1:U_15:O4'         1:U_15:C1'          5.000 35.000 50.00 50.00 1000.000
!1:A_16:C3'         1:A_16:C4'         1:A_16:O4'         1:A_16:C1'          5.000 35.000 50.00 50.00 1000.000
!1:U_18:C3'         1:U_18:C4'         1:U_18:O4'         1:U_18:C1'          5.000 35.000 50.00 50.00 1000.000
!1:A_17:C3'         1:A_17:C4'         1:A_17:O4'         1:A_17:C1'          5.000 35.000 50.00 50.00 1000.000
1:C_19:C3'         1:C_19:C4'         1:C_19:O4'         1:C_19:C1'          5.000 35.000 50.00 50.00 1000.000
1:U_20:C3'         1:U_20:C4'         1:U_20:O4'         1:U_20:C1'          5.000 35.000 50.00 50.00 1000.000
1:C_21:C3'         1:C_21:C4'         1:C_21:O4'         1:C_21:C1'          5.000 35.000 50.00 50.00 1000.000
!1:PUR_22:C3'       1:PUR_22:C4'       1:PUR_22:O4'       1:PUR_22:C1'        5.000 35.000 50.00 50.00 1000.000

  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          1H5*        G   1   8.535  -3.907   0.564
    2   2H5*    G   1          2H5*        G   1   9.756  -3.602   1.807
    3    H4*    G   1           H4*        G   1  10.056  -1.824   0.333
    4    H3*    G   1           H3*        G   1   8.161  -0.835   2.492
    5    H2*    G   1           H2*        G   1   8.389   1.325   1.581
    6   2HO*    G   1          2HO*        G   1  10.701   0.910   1.010
    7    H1*    G   1           H1*        G   1   7.926   0.480  -0.959
    8    H8     G   1           H8         G   1   5.765  -2.002   0.632
    9    H1     G   1           H1         G   1   3.289   3.914   1.138
   10   1H2     G   1          1H2         G   1   6.565   4.935   0.503
   11   2H2     G   1          2H2         G   1   4.921   5.434   0.895
   12    H5T    G   1           H5T        G   1   8.192  -2.828   3.180
   13   1H5*    A   2          1H5*        A   2  10.961   1.709   3.432
   14   2H5*    A   2          2H5*        A   2  11.235   1.750   5.180
   15    H4*    A   2           H4*        A   2  10.400   3.895   4.329
   16    H3*    A   2           H3*        A   2   8.458   2.396   6.102
   17    H2*    A   2           H2*        A   2   7.120   4.406   6.049
   18   2HO*    A   2          2HO*        A   2   8.950   5.851   6.166
   19    H1*    A   2           H1*        A   2   7.434   4.805   3.346
   20    H8     A   2           H8         A   2   7.019   1.072   3.812
   21   1H6     A   2          1H6         A   2   0.940   2.306   4.565
   22   2H6     A   2          2H6         A   2   2.126   1.010   4.418
   23    H2     A   2           H2         A   2   3.097   6.142   4.404
   24   1H5*    G   3          1H5*        G   3   9.267   6.442   7.854
   25   2H5*    G   3          2H5*        G   3   9.194   6.291   9.618
   26    H4*    G   3           H4*        G   3   7.621   8.007   8.679
   27    H3*    G   3           H3*        G   3   6.452   5.643  10.161
   28    H2*    G   3           H2*        G   3   4.322   6.710   9.967
   29   2HO*    G   3          2HO*        G   3   5.004   8.833  10.416
   30    H1*    G   3           H1*        G   3   4.666   7.499   7.351
   31    H8     G   3           H8         G   3   5.991   3.937   7.971
   32    H1     G   3           H1         G   3  -0.419   4.371   7.515
   33   1H2     G   3          1H2         G   3   0.219   7.810   7.521
   34   2H2     G   3          2H2         G   3  -1.015   6.551   7.538
   35   1H5*    G   4          1H5*        G   4   3.763   7.943  14.022
   36   2H5*    G   4          2H5*        G   4   3.540   6.620  12.854
   37    H4*    G   4           H4*        G   4   2.740   9.495  12.256
   38    H3*    G   4           H3*        G   4   1.164   7.265  13.550
   39    H2*    G   4           H2*        G   4  -0.782   7.987  12.355
   40   2HO*    G   4          2HO*        G   4  -0.256  10.298  12.455
   41    H1*    G   4           H1*        G   4   0.462   8.074   9.954
   42    H8     G   4           H8         G   4   2.568   5.370  11.059
   43    H1     G   4           H1         G   4  -3.526   3.346  10.704
   44   1H2     G   4          1H2         G   4  -4.287   6.724  10.753
   45   2H2     G   4          2H2         G   4  -4.903   5.074  10.680
   46   1H5*    A   5          1H5*        A   5  -2.597   9.287  13.533
   47   2H5*    A   5          2H5*        A   5  -2.939   9.682  15.224
   48    H4*    A   5           H4*        A   5  -4.506   8.033  14.460
   49    H3*    A   5           H3*        A   5  -2.456   6.838  16.347
   50    H2*    A   5           H2*        A   5  -3.827   4.864  16.320
   51   2HO*    A   5          2HO*        A   5  -5.863   6.038  16.367
   52    H1*    A   5           H1*        A   5  -4.261   4.954  13.587
   53    H8     A   5           H8         A   5  -0.729   5.932  14.805
   54   1H6     A   5          1H6         A   5   0.610  -0.055  13.745
   55   2H6     A   5          2H6         A   5   1.317   1.515  14.137
   56    H2     A   5           H2         A   5  -3.708   0.433  13.279
   57   1H5*    A   6          1H5*        A   6  -6.985   7.845  17.313
   58   2H5*    A   6          2H5*        A   6  -7.154   7.911  19.078
   59    H4*    A   6           H4*        A   6  -9.158   6.980  17.940
   60    H3*    A   6           H3*        A   6  -7.636   5.166  19.828
   61    H2*    A   6           H2*        A   6  -9.382   3.537  19.470
   62   2HO*    A   6          2HO*        A   6 -11.031   5.278  19.509
   63    H1*    A   6           H1*        A   6  -9.603   3.945  16.776
   64    H8     A   6           H8         A   6  -5.895   3.993  17.524
   65   1H6     A   6          1H6         A   6  -5.205  -0.812  16.775
   66   2H6     A   6          2H6         A   6  -6.343  -2.149  16.627
   67    H2     A   6           H2         A   6 -10.403  -0.594  17.314
   68   1H5*    G   7          1H5*        G   7  -8.596   3.503  23.494
   69   2H5*    G   7          2H5*        G   7  -7.586   3.725  22.050
   70    H4*    G   7           H4*        G   7  -9.927   1.799  21.983
   71    H3*    G   7           H3*        G   7  -7.192   1.362  23.194
   72    H2*    G   7           H2*        G   7  -7.218  -0.841  22.330
   73   2HO*    G   7          2HO*        G   7  -9.620  -1.003  22.787
   74    H1*    G   7           H1*        G   7  -8.174  -0.193  19.861
   75    H8     G   7           H8         G   7  -5.840   2.479  21.033
   76    H1     G   7           H1         G   7  -2.748  -2.992  19.710
   77   1H2     G   7          1H2         G   7  -5.974  -4.288  19.453
   78   2H2     G   7          2H2         G   7  -4.249  -4.625  19.382
   79   1H5*    G   8          1H5*        G   8  -9.672  -2.110  24.161
   80   2H5*    G   8          2H5*        G   8  -9.266  -2.726  25.766
   81    H4*    G   8           H4*        G   8  -9.060  -4.364  23.811
   82    H3*    G   8           H3*        G   8  -6.767  -3.844  25.706
   83    H2*    G   8           H2*        G   8  -5.569  -5.602  24.568
   84   2HO*    G   8          2HO*        G   8  -7.722  -6.774  24.323
   85    H1*    G   8           H1*        G   8  -6.270  -4.811  22.036
   86    H8     G   8           H8         G   8  -5.629  -1.525  23.687
   87    H1     G   8           H1         G   8  -0.231  -4.926  22.860
   88   1H2     G   8          1H2         G   8  -2.414  -7.566  22.287
   89   2H2     G   8          2H2         G   8  -0.741  -7.055  22.490
   90   1H5*    C   9          1H5*        C   9  -7.038  -8.102  25.626
   91   2H5*    C   9          2H5*        C   9  -6.917  -8.728  27.280
   92    H4*    C   9           H4*        C   9  -5.141  -9.619  25.786
   93    H3*    C   9           H3*        C   9  -4.259  -7.853  28.081
   94    H2*    C   9           H2*        C   9  -1.997  -8.437  27.491
   95   2HO*    C   9          2HO*        C   9  -2.688 -10.680  26.972
   96    H1*    C   9           H1*        C   9  -2.386  -8.171  24.785
   97   1H4     C   9          1H4         C   9  -1.438  -1.981  26.887
   98   2H4     C   9          2H4         C   9   0.138  -2.640  26.470
   99    H5     C   9           H5         C   9  -3.473  -3.383  26.932
  100    H6     C   9           H6         C   9  -4.332  -5.592  26.504
  101   1H5*    G  10          1H5*        G  10  -2.007 -11.743  28.370
  102   2H5*    G  10          2H5*        G  10  -1.994 -12.171  30.090
  103    H4*    G  10           H4*        G  10   0.279 -12.162  29.100
  104    H3*    G  10           H3*        G  10  -0.331 -10.137  31.263
  105    H2*    G  10           H2*        G  10   1.991  -9.505  31.194
  106   2HO*    G  10          2HO*        G  10   2.524 -11.877  30.823
  107    H1*    G  10           H1*        G  10   2.204  -9.554  28.459
  108    H8     G  10           H8         G  10  -1.166  -8.017  29.376
  109    H1     G  10           H1         G  10   3.785  -3.915  29.509
  110   1H2     G  10          1H2         G  10   5.698  -6.826  29.697
  111   2H2     G  10          2H2         G  10   5.692  -5.064  29.765
  112   1H5*    A  11          1H5*        A  11   3.398 -12.139  32.560
  113   2H5*    A  11          2H5*        A  11   3.212 -12.449  34.296
  114    H4*    A  11           H4*        A  11   5.219 -11.098  33.890
  115    H3*    A  11           H3*        A  11   2.936  -9.580  35.215
  116    H2*    A  11           H2*        A  11   4.457  -7.767  35.499
  117   2HO*    A  11          2HO*        A  11   6.238  -9.374  35.954
  118    H1*    A  11           H1*        A  11   5.528  -7.976  32.963
  119    H8     A  11           H8         A  11   1.702  -8.601  33.243
  120   1H6     A  11          1H6         A  11   1.242  -2.488  32.216
  121   2H6     A  11          2H6         A  11   0.331  -3.984  32.396
  122    H2     A  11           H2         A  11   5.513  -3.438  32.793
  123    H3T    A  11           H3T        A  11   3.775 -11.292  36.437
  124   1H5*    U  11          1H5*        U  11   5.113   6.216  32.195
  125   2H5*    U  11          2H5*        U  11   6.644   6.369  31.320
  126    H4*    U  11           H4*        U  11   7.171   4.902  33.056
  127    H3*    U  11           H3*        U  11   6.418   3.158  30.677
  128    H2*    U  11           H2*        U  11   7.205   1.319  31.929
  129   2HO*    U  11          2HO*        U  11   8.992   2.635  32.862
  130    H1*    U  11           H1*        U  11   5.933   2.122  34.227
  131    H3     U  11           H3         U  11   3.527  -1.459  32.741
  132    H5     U  11           H5         U  11   1.806   1.903  30.919
  133    H6     U  11           H6         U  11   3.751   3.198  31.540
  134    H5T    U  11           H5T        U  11   5.902   5.006  29.737
  135   1H5*    C  12          1H5*        C  12  10.327   2.112  30.565
  136   2H5*    C  12          2H5*        C  12  10.858   1.987  28.880
  137    H4*    C  12           H4*        C  12  10.799  -0.202  30.010
  138    H3*    C  12           H3*        C  12   8.721   0.140  27.833
  139    H2*    C  12           H2*        C  12   8.286  -2.221  28.132
  140   2HO*    C  12          2HO*        C  12  10.594  -2.687  28.480
  141    H1*    C  12           H1*        C  12   8.323  -2.089  30.879
  142   1H4     C  12          1H4         C  12   2.441  -0.113  28.391
  143   2H4     C  12          2H4         C  12   2.305  -1.807  28.843
  144    H5     C  12           H5         C  12   4.559   1.145  28.710
  145    H6     C  12           H6         C  12   6.877   0.944  29.363
  146   1H5*    G  13          1H5*        G  13  11.116  -3.453  26.819
  147   2H5*    G  13          2H5*        G  13  11.175  -3.590  25.053
  148    H4*    G  13           H4*        G  13  10.194  -5.587  26.224
  149    H3*    G  13           H3*        G  13   8.456  -4.072  24.262
  150    H2*    G  13           H2*        G  13   6.825  -5.820  24.573
  151   2HO*    G  13          2HO*        G  13   8.665  -7.430  24.761
  152    H1*    G  13           H1*        G  13   7.073  -5.916  27.294
  153    H8     G  13           H8         G  13   7.249  -2.246  26.267
  154    H1     G  13           H1         G  13   1.338  -4.779  25.992
  155   1H2     G  13          1H2         G  13   3.064  -7.807  26.154
  156   2H2     G  13          2H2         G  13   1.499  -7.024  25.935
  157   1H5*    U  14          1H5*        U  14   7.876  -8.111  23.058
  158   2H5*    U  14          2H5*        U  14   7.857  -8.188  21.290
  159    H4*    U  14           H4*        U  14   5.744  -8.989  22.368
  160    H3*    U  14           H3*        U  14   5.572  -6.582  20.542
  161    H2*    U  14           H2*        U  14   3.178  -6.765  20.773
  162   2HO*    U  14          2HO*        U  14   3.319  -9.163  20.767
  163    H1*    U  14           H1*        U  14   3.234  -7.222  23.480
  164    H3     U  14           H3         U  14   1.366  -3.080  22.877
  165    H5     U  14           H5         U  14   5.501  -2.433  22.595
  166    H6     U  14           H6         U  14   5.855  -4.822  22.623
  167   1H5*    U  15          1H5*        U  15   2.651  -9.629  19.104
  168   2H5*    U  15          2H5*        U  15   2.480  -9.456  17.350
  169    H4*    U  15           H4*        U  15   0.345  -9.147  18.657
  170    H3*    U  15           H3*        U  15   1.342  -6.827  16.986
  171    H2*    U  15           H2*        U  15  -0.773  -5.762  17.499
  172   2HO*    U  15          2HO*        U  15  -1.908  -7.883  17.393
  173    H1*    U  15           H1*        U  15  -0.708  -6.451  20.149
  174    H3     U  15           H3         U  15  -0.193  -1.930  19.916
  175    H5     U  15           H5         U  15   3.593  -3.443  18.878
  176    H6     U  15           H6         U  15   2.668  -5.674  18.884
  177   1H5*    A  16          1H5*        A  16  -2.882  -7.695  15.883
  178   2H5*    A  16          2H5*        A  16  -3.047  -7.435  14.142
  179    H4*    A  16           H4*        A  16  -4.682  -6.144  15.501
  180    H3*    A  16           H3*        A  16  -2.711  -4.565  13.830
  181    H2*    A  16           H2*        A  16  -4.021  -2.617  14.398
  182   2HO*    A  16          2HO*        A  16  -6.095  -3.795  14.303
  183    H1*    A  16           H1*        A  16  -4.223  -3.260  17.048
  184    H8     A  16           H8         A  16  -0.748  -4.316  15.904
  185   1H6     A  16          1H6         A  16   0.861   1.464  17.550
  186   2H6     A  16          2H6         A  16   1.496  -0.159  17.284
  187    H2     A  16           H2         A  16  -3.484   1.358  17.225
  188   1H5*    A  17          1H5*        A  17  -7.189  -5.533  12.997
  189   2H5*    A  17          2H5*        A  17  -7.680  -5.174  11.331
  190    H4*    A  17           H4*        A  17  -9.437  -4.771  13.104
  191    H3*    A  17           H3*        A  17  -8.589  -2.453  11.361
  192    H2*    A  17           H2*        A  17 -10.322  -1.166  12.424
  193   2HO*    A  17          2HO*        A  17 -11.865  -2.925  12.599
  194    H1*    A  17           H1*        A  17  -9.605  -1.875  14.926
  195    H8     A  17           H8         A  17  -6.217  -1.826  13.400
  196   1H6     A  17          1H6         A  17  -6.398   4.289  14.210
  197   2H6     A  17          2H6         A  17  -5.366   2.902  13.846
  198    H2     A  17           H2         A  17 -10.563   2.803  14.410
  199   1H5*    U  18          1H5*        U  18 -10.542  -0.966   8.098
  200   2H5*    U  18          2H5*        U  18  -9.210  -1.714   9.011
  201    H4*    U  18           H4*        U  18 -10.454   0.946   9.827
  202    H3*    U  18           H3*        U  18  -8.203   0.366   7.895
  203    H2*    U  18           H2*        U  18  -7.120   2.372   8.677
  204   2HO*    U  18          2HO*        U  18  -9.250   3.474   8.920
  205    H1*    U  18           H1*        U  18  -7.548   1.838  11.319
  206    H3     U  18           H3         U  18  -3.085   1.198  10.171
  207    H5     U  18           H5         U  18  -4.992  -2.391   9.170
  208    H6     U  18           H6         U  18  -7.111  -1.422   9.817
  209   1H5*    C  19          1H5*        C  19  -9.438   4.624   7.520
  210   2H5*    C  19          2H5*        C  19  -9.480   5.041   5.798
  211    H4*    C  19           H4*        C  19  -8.107   6.626   7.157
  212    H3*    C  19           H3*        C  19  -6.723   4.987   5.022
  213    H2*    C  19           H2*        C  19  -4.751   6.265   5.462
  214   2HO*    C  19          2HO*        C  19  -5.827   8.296   5.679
  215    H1*    C  19           H1*        C  19  -5.064   6.287   8.201
  216   1H4     C  19          1H4         C  19  -2.069   0.520   7.442
  217   2H4     C  19          2H4         C  19  -0.818   1.751   7.556
  218    H5     C  19           H5         C  19  -4.437   1.143   6.954
  219    H6     C  19           H6         C  19  -5.992   2.995   6.914
  220   1H5*    U  20          1H5*        U  20  -6.067   9.459   4.365
  221   2H5*    U  20          2H5*        U  20  -5.998   9.724   2.613
  222    H4*    U  20           H4*        U  20  -3.975  10.576   3.842
  223    H3*    U  20           H3*        U  20  -3.632   8.391   1.776
  224    H2*    U  20           H2*        U  20  -1.266   8.598   2.092
  225   2HO*    U  20          2HO*        U  20  -1.457  10.978   2.242
  226    H1*    U  20           H1*        U  20  -1.384   8.892   4.821
  227    H3     U  20           H3         U  20   0.679   4.904   4.577
  228    H5     U  20           H5         U  20  -3.316   4.024   3.637
  229    H6     U  20           H6         U  20  -3.758   6.396   3.473
  230   1H5*    C  21          1H5*        C  21  -0.786  11.795   0.670
  231   2H5*    C  21          2H5*        C  21  -0.836  11.863  -1.102
  232    H4*    C  21           H4*        C  21   1.475  11.562  -0.293
  233    H3*    C  21           H3*        C  21   0.254   9.237  -1.808
  234    H2*    C  21           H2*        C  21   2.330   8.108  -1.667
  235   2HO*    C  21          2HO*        C  21   3.370  10.326  -2.058
  236    H1*    C  21           H1*        C  21   2.949   8.957   0.917
  237   1H4     C  21          1H4         C  21  -0.864   3.489   1.251
  238   2H4     C  21          2H4         C  21   0.804   3.017   1.556
  239    H5     C  21           H5         C  21  -1.458   5.817   0.620
  240    H6     C  21           H6         C  21  -0.555   7.992   0.141