*HEADER    DNA                                     07-JUL-06   2HLI              
*TITLE     SOLUTION STRUCTURE OF CROTONALDEHYDE-DERIVED N2-[3-OXO-1(S)-          
*TITLE    2 METHYL-PROPYL]-DG DNA ADDUCT IN THE 5'-CPG-3' SEQUENCE               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA DODECAMER WITH S-CROTONALDEHYDE ADDUCT;                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: DNA DODECAMER;                                             
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: ALL ADDUCTED SEQUENCES WERE MADE BY DR.               
*SOURCE   4 RIZZO AND DR. HARRIS LAB AT VANDERBILT;                              
*SOURCE   5 MOL_ID: 2;                                                           
*SOURCE   6 SYNTHETIC: YES                                                       
*KEYWDS    INTERSTRAND DNA CROSS-LINK; S-CROTONALDEHYDE-DG ADDUCT; 5'-           
*KEYWDS   2 CPG-3' SEQUENCE                                                      
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    Y.-J.CHO, H.WANG, I.D.KOZEKOV, A.J.KURTZ, J.JACOB, M                  
*AUTHOR   2 VOEHLER, J.SMITH, T.M.HARRIS, C.J.RIZZO, M.P.STONE                   
*REVDAT   1   19-SEP-06 2HLI    0                                                


# 769 atoms read from pdb file /home/youngjin/OPEN_S/EM/xleap/o4.min.pdb.
# 2 CYT NU0:  (2 DC C4')-(2 DC O4')-(2 DC C1')-(2 DC C2') -44.7 -14.7
 &rst     iat =    39,    41,    42,    58,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
   rk2 =  32.0, rk3 =  32.0,    &end

# 2 CYT NU1:  (2 DC O4')-(2 DC C1')-(2 DC C2')-(2 DC C3')  18.1  48.1
 &rst     iat =    41,    42,    58,    56,
   r1 =  17.1, r2 =  18.1, r3 =  48.1, r4 =  49.1,
 &end

# 2 CYT NU2:  (2 DC C1')-(2 DC C2')-(2 DC C3')-(2 DC C4') -37.2  -6.7
 &rst     iat =    42,    58,    56,    39,
   r1 = -38.2, r2 = -37.2, r3 =  -6.7, r4 =  -5.7,
 &end

# 2 CYT NU3:  (2 DC C2')-(2 DC C3')-(2 DC C4')-(2 DC O4') -16.9  24.2
 &rst     iat =    58,    56,    39,    41,
   r1 = -17.9, r2 = -16.9, r3 =  24.2, r4 =  25.2,
 &end

# 2 CYT NU4:  (2 DC C3')-(2 DC C4')-(2 DC O4')-(2 DC C1')  -1.9  34.0
 &rst     iat =    56,    39,    41,    42,
   r1 =  -2.9, r2 =  -1.9, r3 =  34.0, r4 =  35.0,
 &end

# 3 THY NU0:  (3 DT C4')-(3 DT O4')-(3 DT C1')-(3 DT C2') -44.7 -14.7
 &rst     iat =    69,    71,    72,    90,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 3 THY NU1:  (3 DT O4')-(3 DT C1')-(3 DT C2')-(3 DT C3')  18.1  48.1
 &rst     iat =    71,    72,    90,    88,
   r1 =  17.1, r2 =  18.1, r3 =  48.1, r4 =  49.1,
 &end

# 3 THY NU2:  (3 DT C1')-(3 DT C2')-(3 DT C3')-(3 DT C4') -37.2  -6.7
 &rst     iat =    72,    90,    88,    69,
   r1 = -38.2, r2 = -37.2, r3 =  -6.7, r4 =  -5.7,
 &end

# 3 THY NU3:  (3 DT C2')-(3 DT C3')-(3 DT C4')-(3 DT O4') -16.9  24.2
 &rst     iat =    90,    88,    69,    71,
   r1 = -17.9, r2 = -16.9, r3 =  24.2, r4 =  25.2,
 &end

# 3 THY NU4:  (3 DT C3')-(3 DT C4')-(3 DT O4')-(3 DT C1')  -1.9  34.0
 &rst     iat =    88,    69,    71,    72,
   r1 =  -2.9, r2 =  -1.9, r3 =  34.0, r4 =  35.0,
 &end

# 4 ADE NU0:  (4 DA C4')-(4 DA O4')-(4 DA C1')-(4 DA C2') -39.4  -9.4
 &rst     iat =   101,   103,   104,   122,
   r1 = -40.4, r2 = -39.4, r3 =  -9.4, r4 =  -8.4,
 &end

# 4 ADE NU1:  (4 DA O4')-(4 DA C1')-(4 DA C2')-(4 DA C3')  19.8  49.8
 &rst     iat =   103,   104,   122,   120,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 &end

# 4 ADE NU2:  (4 DA C1')-(4 DA C2')-(4 DA C3')-(4 DA C4') -45.3 -15.3
 &rst     iat =   104,   122,   120,   101,
   r1 = -46.3, r2 = -45.3, r3 = -15.3, r4 = -14.3,
 &end

# 4 ADE NU3:  (4 DA C2')-(4 DA C3')-(4 DA C4')-(4 DA O4')  -0.7  31.1
 &rst     iat =   122,   120,   101,   103,
   r1 =  -1.7, r2 =  -0.7, r3 =  31.1, r4 =  32.1,
 &end

# 4 ADE NU4:  (4 DA C3')-(4 DA C4')-(4 DA O4')-(4 DA C1') -11.8  23.2
 &rst     iat =   120,   101,   103,   104,
   r1 = -12.8, r2 = -11.8, r3 =  23.2, r4 =  24.2,
 &end

# 5 GUA NU0:  (5 DG C4')-(5 DG O4')-(5 DG C1')-(5 DG C2') -39.4  -9.4
 &rst     iat =   133,   135,   136,   155,
   r1 = -40.4, r2 = -39.4, r3 =  -9.4, r4 =  -8.4,
 &end

# 5 GUA NU1:  (5 DG O4')-(5 DG C1')-(5 DG C2')-(5 DG C3')  19.8  49.8
 &rst     iat =   135,   136,   155,   153,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 &end

# 5 GUA NU2:  (5 DG C1')-(5 DG C2')-(5 DG C3')-(5 DG C4') -45.3 -15.3
 &rst     iat =   136,   155,   153,   133,
   r1 = -46.3, r2 = -45.3, r3 = -15.3, r4 = -14.3,
 &end

# 5 GUA NU3:  (5 DG C2')-(5 DG C3')-(5 DG C4')-(5 DG O4')  -0.7  31.1
 &rst     iat =   155,   153,   133,   135,
   r1 =  -1.7, r2 =  -0.7, r3 =  31.1, r4 =  32.1,
 &end

# 5 GUA NU4:  (5 DG C3')-(5 DG C4')-(5 DG O4')-(5 DG C1') -11.8  23.2
 &rst     iat =   153,   133,   135,   136,
   r1 = -12.8, r2 = -11.8, r3 =  23.2, r4 =  24.2,
 &end

# 6 CYT NU0:  (6 DC C4')-(6 DC O4')-(6 DC C1')-(6 DC C2') -48.6 -18.6
 &rst     iat =   166,   168,   169,   185,
   r1 = -49.6, r2 = -48.6, r3 = -18.6, r4 = -17.6,
 &end

# 6 CYT NU1:  (6 DC O4')-(6 DC C1')-(6 DC C2')-(6 DC C3')  15.6  45.6
 &rst     iat =   168,   169,   185,   183,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 6 CYT NU2:  (6 DC C1')-(6 DC C2')-(6 DC C3')-(6 DC C4') -33.3   0.0
 &rst     iat =   169,   185,   183,   166,
   r1 = -34.3, r2 = -33.3, r3 =   0.0, r4 =   1.0,
 &end

# 6 CYT NU3:  (6 DC C2')-(6 DC C3')-(6 DC C4')-(6 DC O4') -22.6  15.7
 &rst     iat =   185,   183,   166,   168,
   r1 = -23.6, r2 = -22.6, r3 =  15.7, r4 =  16.7,
 &end

# 6 CYT NU4:  (6 DC C3')-(6 DC C4')-(6 DC O4')-(6 DC C1')   7.3  37.3
 &rst     iat =   183,   166,   168,   169,
   r1 =   6.3, r2 =   7.3, r3 =  37.3, r4 =  38.3,
 &end

# 7 S NU0:  (7 DS C4')-(7 DS O4')-(7 DS C1')-(7 DS C2') -37.7  -7.7
# &rst     iat =   196,   197,   205,   202,
#   r1 = -38.7, r2 = -37.7, r3 =  -7.7, r4 =  -6.7,
# &end
#
# 7 S NU1:  (7 DS O4')-(7 DS C1')-(7 DS C2')-(7 DS C3')  18.8  48.8
# &rst     iat =   197,   205,   202,   199,
##   r1 =  17.8, r2 =  18.8, r3 =  48.8, r4 =  49.8,
# &end
#
# 7 S NU2:  (7 DS C1')-(7 DS C2')-(7 DS C3')-(7 DS C4') -45.3 -15.3
# &rst     iat =   205,   202,   199,   196,
#   r1 = -46.3, r2 = -45.3, r3 = -15.3, r4 = -14.3,
# &end
#
# 7 S NU3:  (7 DS C2')-(7 DS C3')-(7 DS C4')-(7 DS O4')  -0.7  33.0
# &rst     iat =   202,   199,   196,   197,
#   r1 =  -1.7, r2 =  -0.7, r3 =  33.0, r4 =  34.0,
# &end
#
# 7 S NU4:  (7 DS C3')-(7 DS C4')-(7 DS O4')-(7 DS C1') -15.0  23.2
# &rst     iat =   199,   196,   197,   205,
#   r1 = -16.0, r2 = -15.0, r3 =  23.2, r4 =  24.2,
# &end
#
# 8 ADE NU0:  (8 DA C4')-(8 DA O4')-(8 DA C1')-(8 DA C2') -39.4  -9.4
# &rst     iat =   240,   242,   243,   261,
#   r1 = -40.4, r2 = -39.4, r3 =  -9.4, r4 =  -8.4,
# &end
#
# 8 ADE NU1:  (8 DA O4')-(8 DA C1')-(8 DA C2')-(8 DA C3')  19.8  49.8
# &rst     iat =   242,   243,   261,   259,
#   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
# &end
#
# 8 ADE NU2:  (8 DA C1')-(8 DA C2')-(8 DA C3')-(8 DA C4') -45.3 -15.3
# &rst     iat =   243,   261,   259,   240,
#   r1 = -46.3, r2 = -45.3, r3 = -15.3, r4 = -14.3,
# &end
#
# 8 ADE NU3:  (8 DA C2')-(8 DA C3')-(8 DA C4')-(8 DA O4')  -0.7  31.1
# &rst     iat =   261,   259,   240,   242,
#   r1 =  -1.7, r2 =  -0.7, r3 =  31.1, r4 =  32.1,
# &end
#
## 8 ADE NU4:  (8 DA C3')-(8 DA C4')-(8 DA O4')-(8 DA C1') -11.8  23.2
# &rst     iat =   259,   240,   242,   243,
#   r1 = -12.8, r2 = -11.8, r3 =  23.2, r4 =  24.2,
# &end
#
# 9 GUA NU0:  (9 DG C4')-(9 DG O4')-(9 DG C1')-(9 DG C2') -39.4  -9.4
 &rst     iat =   272,   274,   275,   294,
   r1 = -40.4, r2 = -39.4, r3 =  -9.4, r4 =  -8.4,
 &end

# 9 GUA NU1:  (9 DG O4')-(9 DG C1')-(9 DG C2')-(9 DG C3')  19.8  49.8
 &rst     iat =   274,   275,   294,   292,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 &end

# 9 GUA NU2:  (9 DG C1')-(9 DG C2')-(9 DG C3')-(9 DG C4') -45.3 -15.3
 &rst     iat =   275,   294,   292,   272,
   r1 = -46.3, r2 = -45.3, r3 = -15.3, r4 = -14.3,
 &end

# 9 GUA NU3:  (9 DG C2')-(9 DG C3')-(9 DG C4')-(9 DG O4')  -0.7  31.1
 &rst     iat =   294,   292,   272,   274,
   r1 =  -1.7, r2 =  -0.7, r3 =  31.1, r4 =  32.1,
 &end

# 9 GUA NU4:  (9 DG C3')-(9 DG C4')-(9 DG O4')-(9 DG C1') -11.8  23.2
 &rst     iat =   292,   272,   274,   275,
   r1 = -12.8, r2 = -11.8, r3 =  23.2, r4 =  24.2,
 &end

# 10 THY NU0:  (10 DT C4')-(10 DT O4')-(10 DT C1')-(10 DT C2') -44.7 -14.7
 &rst     iat =   305,   307,   308,   326,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 10 THY NU1:  (10 DT O4')-(10 DT C1')-(10 DT C2')-(10 DT C3')  18.1  48.1
 &rst     iat =   307,   308,   326,   324,
   r1 =  17.1, r2 =  18.1, r3 =  48.1, r4 =  49.1,
 &end

# 10 THY NU2:  (10 DT C1')-(10 DT C2')-(10 DT C3')-(10 DT C4') -37.2  -6.7
 &rst     iat =   308,   326,   324,   305,
   r1 = -38.2, r2 = -37.2, r3 =  -6.7, r4 =  -5.7,
 &end

# 10 THY NU3:  (10 DT C2')-(10 DT C3')-(10 DT C4')-(10 DT O4') -16.9  24.2
 &rst     iat =   326,   324,   305,   307,
   r1 = -17.9, r2 = -16.9, r3 =  24.2, r4 =  25.2,
 &end

# 10 THY NU4:  (10 DT C3')-(10 DT C4')-(10 DT O4')-(10 DT C1')  -1.9  34.0
 &rst     iat =   324,   305,   307,   308,
   r1 =  -2.9, r2 =  -1.9, r3 =  34.0, r4 =  35.0,
 &end

# 11 CYT NU0:  (11 DC C4')-(11 DC O4')-(11 DC C1')-(11 DC C2') -44.7 -14.7
 &rst     iat =   337,   339,   340,   356,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 11 CYT NU1:  (11 DC O4')-(11 DC C1')-(11 DC C2')-(11 DC C3')  18.1  48.1
 &rst     iat =   339,   340,   356,   354,
   r1 =  17.1, r2 =  18.1, r3 =  48.1, r4 =  49.1,
 &end

# 11 CYT NU2:  (11 DC C1')-(11 DC C2')-(11 DC C3')-(11 DC C4') -37.2  -6.7
 &rst     iat =   340,   356,   354,   337,
   r1 = -38.2, r2 = -37.2, r3 =  -6.7, r4 =  -5.7,
 &end

# 11 CYT NU3:  (11 DC C2')-(11 DC C3')-(11 DC C4')-(11 DC O4') -16.9  24.2
 &rst     iat =   356,   354,   337,   339,
   r1 = -17.9, r2 = -16.9, r3 =  24.2, r4 =  25.2,
 &end

# 11 CYT NU4:  (11 DC C3')-(11 DC C4')-(11 DC O4')-(11 DC C1')  -1.9  34.0
 &rst     iat =   354,   337,   339,   340,
   r1 =  -2.9, r2 =  -1.9, r3 =  34.0, r4 =  35.0,
 &end

# 14 GUA NU0:  (14 DG C4')-(14 DG O4')-(14 DG C1')-(14 DG C2') -39.4  -9.4
 &rst     iat =   429,   431,   432,   451,
   r1 = -40.4, r2 = -39.4, r3 =  -9.4, r4 =  -8.4,
 &end

# 14 GUA NU1:  (14 DG O4')-(14 DG C1')-(14 DG C2')-(14 DG C3')  19.8  49.8
 &rst     iat =   431,   432,   451,   449,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 &end

# 14 GUA NU2:  (14 DG C1')-(14 DG C2')-(14 DG C3')-(14 DG C4') -45.3 -15.3
 &rst     iat =   432,   451,   449,   429,
   r1 = -46.3, r2 = -45.3, r3 = -15.3, r4 = -14.3,
 &end

# 14 GUA NU3:  (14 DG C2')-(14 DG C3')-(14 DG C4')-(14 DG O4')  -0.7  31.1
 &rst     iat =   451,   449,   429,   431,
   r1 =  -1.7, r2 =  -0.7, r3 =  31.1, r4 =  32.1,
 &end

# 14 GUA NU4:  (14 DG C3')-(14 DG C4')-(14 DG O4')-(14 DG C1') -11.8  23.2
 &rst     iat =   449,   429,   431,   432,
   r1 = -12.8, r2 = -11.8, r3 =  23.2, r4 =  24.2,
 &end

# 15 ADE NU0:  (15 DA C4')-(15 DA O4')-(15 DA C1')-(15 DA C2') -39.4  -9.4
 &rst     iat =   462,   464,   465,   483,
   r1 = -40.4, r2 = -39.4, r3 =  -9.4, r4 =  -8.4,
 &end

# 15 ADE NU1:  (15 DA O4')-(15 DA C1')-(15 DA C2')-(15 DA C3')  19.8  49.8
 &rst     iat =   464,   465,   483,   481,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 &end

# 15 ADE NU2:  (15 DA C1')-(15 DA C2')-(15 DA C3')-(15 DA C4') -45.3 -15.3
 &rst     iat =   465,   483,   481,   462,
   r1 = -46.3, r2 = -45.3, r3 = -15.3, r4 = -14.3,
 &end

# 15 ADE NU3:  (15 DA C2')-(15 DA C3')-(15 DA C4')-(15 DA O4')  -0.7  31.1
 &rst     iat =   483,   481,   462,   464,
   r1 =  -1.7, r2 =  -0.7, r3 =  31.1, r4 =  32.1,
 &end

# 15 ADE NU4:  (15 DA C3')-(15 DA C4')-(15 DA O4')-(15 DA C1') -11.8  23.2
 &rst     iat =   481,   462,   464,   465,
   r1 = -12.8, r2 = -11.8, r3 =  23.2, r4 =  24.2,
 &end

# 16 CYT NU0:  (16 DC C4')-(16 DC O4')-(16 DC C1')-(16 DC C2') -44.7 -14.7
 &rst     iat =   494,   496,   497,   513,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 16 CYT NU1:  (16 DC O4')-(16 DC C1')-(16 DC C2')-(16 DC C3')  18.1  48.1
 &rst     iat =   496,   497,   513,   511,
   r1 =  17.1, r2 =  18.1, r3 =  48.1, r4 =  49.1,
 &end

# 16 CYT NU2:  (16 DC C1')-(16 DC C2')-(16 DC C3')-(16 DC C4') -37.2  -6.7
 &rst     iat =   497,   513,   511,   494,
   r1 = -38.2, r2 = -37.2, r3 =  -6.7, r4 =  -5.7,
 &end

# 16 CYT NU3:  (16 DC C2')-(16 DC C3')-(16 DC C4')-(16 DC O4') -16.9  24.2
 &rst     iat =   513,   511,   494,   496,
   r1 = -17.9, r2 = -16.9, r3 =  24.2, r4 =  25.2,
 &end

# 16 CYT NU4:  (16 DC C3')-(16 DC C4')-(16 DC O4')-(16 DC C1')  -1.9  34.0
 &rst     iat =   511,   494,   496,   497,
   r1 =  -2.9, r2 =  -1.9, r3 =  34.0, r4 =  35.0,
 &end

# 17 THY NU0:  (17 DT C4')-(17 DT O4')-(17 DT C1')-(17 DT C2') -44.7 -14.7
 &rst     iat =   524,   526,   527,   545,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 17 THY NU1:  (17 DT O4')-(17 DT C1')-(17 DT C2')-(17 DT C3')  18.1  48.1
 &rst     iat =   526,   527,   545,   543,
   r1 =  17.1, r2 =  18.1, r3 =  48.1, r4 =  49.1,
 &end

# 17 THY NU2:  (17 DT C1')-(17 DT C2')-(17 DT C3')-(17 DT C4') -37.2  -6.7
 &rst     iat =   527,   545,   543,   524,
   r1 = -38.2, r2 = -37.2, r3 =  -6.7, r4 =  -5.7,
 &end

# 17 THY NU3:  (17 DT C2')-(17 DT C3')-(17 DT C4')-(17 DT O4') -16.9  24.2
 &rst     iat =   545,   543,   524,   526,
   r1 = -17.9, r2 = -16.9, r3 =  24.2, r4 =  25.2,
 &end

# 17 THY NU4:  (17 DT C3')-(17 DT C4')-(17 DT O4')-(17 DT C1')  -1.9  34.0
 &rst     iat =   543,   524,   526,   527,
   r1 =  -2.9, r2 =  -1.9, r3 =  34.0, r4 =  35.0,
 &end

# 18 CYT NU0:  (18 DC C4')-(18 DC O4')-(18 DC C1')-(18 DC C2') -44.7 -14.7
 &rst     iat =   556,   558,   559,   575,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 18 CYT NU1:  (18 DC O4')-(18 DC C1')-(18 DC C2')-(18 DC C3')  18.1  48.1
 &rst     iat =   558,   559,   575,   573,
   r1 =  17.1, r2 =  18.1, r3 =  48.1, r4 =  49.1,
 &end

# 18 CYT NU2:  (18 DC C1')-(18 DC C2')-(18 DC C3')-(18 DC C4') -37.2  -6.7
 &rst     iat =   559,   575,   573,   556,
   r1 = -38.2, r2 = -37.2, r3 =  -6.7, r4 =  -5.7,
 &end

# 18 CYT NU3:  (18 DC C2')-(18 DC C3')-(18 DC C4')-(18 DC O4') -16.9  24.2
 &rst     iat =   575,   573,   556,   558,
   r1 = -17.9, r2 = -16.9, r3 =  24.2, r4 =  25.2,
 &end

# 18 CYT NU4:  (18 DC C3')-(18 DC C4')-(18 DC O4')-(18 DC C1')  -1.9  34.0
 &rst     iat =   573,   556,   558,   559,
   r1 =  -2.9, r2 =  -1.9, r3 =  34.0, r4 =  35.0,
 &end

# 19 GUA NU0:  (19 DG C4')-(19 DG O4')-(19 DG C1')-(19 DG C2') -39.4  -9.4
 &rst     iat =   586,   588,   589,   608,
   r1 = -40.4, r2 = -39.4, r3 =  -9.4, r4 =  -8.4,
 &end

# 19 GUA NU1:  (19 DG O4')-(19 DG C1')-(19 DG C2')-(19 DG C3')  19.8  49.8
 &rst     iat =   588,   589,   608,   606,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 &end

# 19 GUA NU2:  (19 DG C1')-(19 DG C2')-(19 DG C3')-(19 DG C4') -45.3 -15.3
 &rst     iat =   589,   608,   606,   586,
   r1 = -46.3, r2 = -45.3, r3 = -15.3, r4 = -14.3,
 &end

# 19 GUA NU3:  (19 DG C2')-(19 DG C3')-(19 DG C4')-(19 DG O4')  -0.7  31.1
 &rst     iat =   608,   606,   586,   588,
   r1 =  -1.7, r2 =  -0.7, r3 =  31.1, r4 =  32.1,
 &end

# 19 GUA NU4:  (19 DG C3')-(19 DG C4')-(19 DG O4')-(19 DG C1') -11.8  23.2
 &rst     iat =   606,   586,   588,   589,
   r1 = -12.8, r2 = -11.8, r3 =  23.2, r4 =  24.2,
 &end

# 20 CYT NU0:  (20 DC C4')-(20 DC O4')-(20 DC C1')-(20 DC C2') -44.7 -14.7
 &rst     iat =   619,   621,   622,   638,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 20 CYT NU1:  (20 DC O4')-(20 DC C1')-(20 DC C2')-(20 DC C3')  18.1  48.1
 &rst     iat =   621,   622,   638,   636,
   r1 =  17.1, r2 =  18.1, r3 =  48.1, r4 =  49.1,
 &end

# 20 CYT NU2:  (20 DC C1')-(20 DC C2')-(20 DC C3')-(20 DC C4') -37.2  -6.7
 &rst     iat =   622,   638,   636,   619,
   r1 = -38.2, r2 = -37.2, r3 =  -6.7, r4 =  -5.7,
 &end

# 20 CYT NU3:  (20 DC C2')-(20 DC C3')-(20 DC C4')-(20 DC O4') -16.9  24.2
 &rst     iat =   638,   636,   619,   621,
   r1 = -17.9, r2 = -16.9, r3 =  24.2, r4 =  25.2,
 &end

# 20 CYT NU4:  (20 DC C3')-(20 DC C4')-(20 DC O4')-(20 DC C1')  -1.9  34.0
 &rst     iat =   636,   619,   621,   622,
   r1 =  -2.9, r2 =  -1.9, r3 =  34.0, r4 =  35.0,
 &end

# 21 THY NU0:  (21 DT C4')-(21 DT O4')-(21 DT C1')-(21 DT C2') -44.7 -14.7
 &rst     iat =   649,   651,   652,   670,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 21 THY NU1:  (21 DT O4')-(21 DT C1')-(21 DT C2')-(21 DT C3')  18.1  48.1
 &rst     iat =   651,   652,   670,   668,
   r1 =  17.1, r2 =  18.1, r3 =  48.1, r4 =  49.1,
 &end

# 21 THY NU2:  (21 DT C1')-(21 DT C2')-(21 DT C3')-(21 DT C4') -37.2  -6.7
 &rst     iat =   652,   670,   668,   649,
   r1 = -38.2, r2 = -37.2, r3 =  -6.7, r4 =  -5.7,
 &end

# 21 THY NU3:  (21 DT C2')-(21 DT C3')-(21 DT C4')-(21 DT O4') -16.9  24.2
 &rst     iat =   670,   668,   649,   651,
   r1 = -17.9, r2 = -16.9, r3 =  24.2, r4 =  25.2,
 &end

# 21 THY NU4:  (21 DT C3')-(21 DT C4')-(21 DT O4')-(21 DT C1')  -1.9  34.0
 &rst     iat =   668,   649,   651,   652,
   r1 =  -2.9, r2 =  -1.9, r3 =  34.0, r4 =  35.0,
 &end

# 22 ADE NU0:  (22 DA C4')-(22 DA O4')-(22 DA C1')-(22 DA C2') -37.7  -7.7
 &rst     iat =   681,   683,   684,   702,
   r1 = -38.7, r2 = -37.7, r3 =  -7.7, r4 =  -6.7,
 &end

# 22 ADE NU1:  (22 DA O4')-(22 DA C1')-(22 DA C2')-(22 DA C3')  18.8  48.8
 &rst     iat =   683,   684,   702,   700,
   r1 =  17.8, r2 =  18.8, r3 =  48.8, r4 =  49.8,
 &end

# 22 ADE NU2:  (22 DA C1')-(22 DA C2')-(22 DA C3')-(22 DA C4') -45.3 -15.3
 &rst     iat =   684,   702,   700,   681,
   r1 = -46.3, r2 = -45.3, r3 = -15.3, r4 = -14.3,
 &end

# 22 ADE NU3:  (22 DA C2')-(22 DA C3')-(22 DA C4')-(22 DA O4')  -0.7  33.0
 &rst     iat =   702,   700,   681,   683,
   r1 =  -1.7, r2 =  -0.7, r3 =  33.0, r4 =  34.0,
 &end

# 22 ADE NU4:  (22 DA C3')-(22 DA C4')-(22 DA O4')-(22 DA C1') -15.0  23.2
 &rst     iat =   700,   681,   683,   684,
   r1 = -16.0, r2 = -15.0, r3 =  23.2, r4 =  24.2,
 &end

# 23 GUA NU0:  (23 DG C4')-(23 DG O4')-(23 DG C1')-(23 DG C2') -38.6  -8.6
 &rst     iat =   713,   715,   716,   735,
   r1 = -39.6, r2 = -38.6, r3 =  -8.6, r4 =  -7.6,
 &end

# 23 GUA NU1:  (23 DG O4')-(23 DG C1')-(23 DG C2')-(23 DG C3')  18.1  48.1
 &rst     iat =   715,   716,   735,   733,
   r1 =  17.1, r2 =  18.1, r3 =  48.1, r4 =  49.1,
 &end

# 23 GUA NU2:  (23 DG C1')-(23 DG C2')-(23 DG C3')-(23 DG C4') -38.5  -6.7
 &rst     iat =   716,   735,   733,   713,
   r1 = -39.5, r2 = -38.5, r3 =  -6.7, r4 =  -5.7,
 &end

# 23 GUA NU3:  (23 DG C2')-(23 DG C3')-(23 DG C4')-(23 DG O4') -16.9  33.0
 &rst     iat =   735,   733,   713,   715,
   r1 = -17.9, r2 = -16.9, r3 =  33.0, r4 =  34.0,
 &end

# 23 GUA NU4:  (23 DG C3')-(23 DG C4')-(23 DG O4')-(23 DG C1') -15.0  34.0
 &rst     iat =   733,   713,   715,   716,
   r1 = -16.0, r2 = -15.0, r3 =  34.0, r4 =  35.0,
 &end

#
#   1  GUA  H1     24  CYT  N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 760, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, 
      rk2=32.0, rk3=32.0, ir6=1, ialtd=0,
 &end
#
#   1  GUA  H22    24  CYT  O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  23, 762, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   1  GUA  N1     24  CYT  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  18, 760, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   1  GUA  O6     24  CYT  H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 759, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   1  GUA  O6     24  CYT  N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 757, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   2  CYT  H42    23  GUA  O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 724, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   2  CYT  N3     23  GUA  H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  53, 726, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   2  CYT  N3     23  GUA  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  53, 725, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   2  CYT  N4     23  GUA  O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 724, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   2  CYT  O2     23  GUA  H22     1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  55, 730, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   3  THY  H3     22  ADE  N1      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 695, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   3  THY  N3     22  ADE  N1      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  84, 695, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   3  THY  O4     22  ADE  H61     1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 693, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   3  THY  H3     21  THY  H3      Add from w-NOESY
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 665, r1= 1.21, r2= 1.71, r3= 5.00, r4= 5.50,  
      rk2=0.0, rk3=32.0, ir6=1, ialtd=0,
 &end
#
#   4  ADE  H61    21  THY  O4      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 663, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, 
      rk2=32.0, rk3=32.0, ir6=1, ialtd=0,
 &end
#
#   4  ADE  N1     21  THY  H3      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 665, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   4  ADE  N1     21  THY  N3      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 664, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   5  GUA  H1     20  CYT  N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 633, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   5  GUA  H22    20  CYT  O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 635, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   5  GUA  N1     20  CYT  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 633, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   5  GUA  O6     20  CYT  H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 632, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   5  GUA  O6     20  CYT  N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 630, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   6  CYT  H42    19  GUA  O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 597, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   6  CYT  N3     19  GUA  H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 599, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   6  CYT  N3     19  GUA  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 598, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   6  CYT  N4     19  GUA  O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 597, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   6  CYT  O2     19  GUA  H22     1.75   2.05
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 603, r1= 1.25, r2= 1.75, r3= 2.05, r4= 2.55,  &end
#
#   7  DS   H1     18  CYT  N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 570, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   7  DS   H2     18  CYT  O2      1.75   2.05
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 572, r1= 1.25, r2= 1.75, r3= 2.05, r4= 2.55,  &end
#
#   7  DS   N1     18  CYT  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 570, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   7  DS   O6     18  CYT  H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 569, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   7  DS   O6     18  CYT  N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 567, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   8  ADE  H61    17  THY  O4      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 538, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   8  ADE  N1     17  THY  H3      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 540, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   8  ADE  N1     17  THY  N3      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 539, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   9  GUA  H1     16  CYT  N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 508, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   9  GUA  H22    16  CYT  O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 510, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   9  GUA  N1     16  CYT  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 508, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   9  GUA  O6     16  CYT  H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 507, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   9  GUA  O6     16  CYT  N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 505, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  10  THY  H3     15  ADE  N1      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 476, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#  10  THY  N3     15  ADE  N1      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 476, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#  10  THY  O4     15  ADE  H61     1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 474, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  11  CYT  H42    14  GUA  O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 440, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  11  CYT  N3     14  GUA  H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 442, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  11  CYT  N3     14  GUA  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 441, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#  11  CYT  N4     14  GUA  O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 440, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  11  CYT  O2     14  GUA  H22     1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 446, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#  12  CYT  H42    13  GUA  O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 407, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  12  CYT  N3     13  GUA  H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 409, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  12  CYT  N3     13  GUA  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 408, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#  12  CYT  N4     13  GUA  O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 407, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  12  CYT  O2     13  GUA  H22     1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 413, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
# 3 THY H1' 3 THY H2'1 5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  91, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, 
      rk2=0.0, rk3=32.0, ir6=1, ialtd=0,
 &end
#
# 6 CYT H1' 6 CYT H2'1 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 186, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 7 S H1' 7 S H2'1 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 204, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 10 THY H1' 10 THY H2'1 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 327, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 16 CYT H1' 16 CYT H2'1 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 514, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 17 THY H1' 17 THY H2'1 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 546, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 20 CYT H1' 20 CYT H2'1 7.32
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 639, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,  &end
#
# 3 THY H1' 3 THY H2'2 2.43
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  92, r1= 1.30, r2= 1.80, r3= 2.43, r4= 2.93,  &end
#
# 6 CYT H1' 6 CYT H2'2 2.48
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 187, r1= 1.30, r2= 1.80, r3= 2.48, r4= 2.98,  &end
#
# 7 S H1' 7 S H2'2 2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 203, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 9 GUA H1' 9 GUA H2'2 2.67
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 296, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17,  &end
#
# 10 THY H1' 10 THY H2'2 2.49
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 328, r1= 1.30, r2= 1.80, r3= 2.49, r4= 2.99,  &end
#
# 17 THY H1' 17 THY H2'2 2.32 m
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 547, r1= 1.30, r2= 1.80, r3= 2.37, r4= 2.87,  &end
#
# 20 CYT H1' 20 CYT H2'2 2.49
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 640, r1= 1.30, r2= 1.80, r3= 2.49, r4= 2.99,  &end
#
# 8 ADE H1' 7 S H3g 5.1
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 231, r1= 3.92, r2= 3.95, r3= 5.10, r4= 5.60,  
      rk2=32.0, rk3=32.0, ir6=1, ialtd=0, &end
#
# 19 GUA H1' 19 GUA H4' 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 587, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  
      rk2=0.0, rk3=32.0, ir6=1, ialtd=0, &end
#
# 10 THY H1' 11 CYT H5 6.33
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 346, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,  &end
#
# 3 THY H1' 3 THY H6 3.15 m
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  76, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 6 CYT H1' 6 CYT H6 5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 173, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
# 9 GUA H1' 10 THY H6 5.95 m
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 312, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 10 THY H1' 10 THY H6 6.49
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 312, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,  &end
#
# 15 ADE H1' 16 CYT H6 3.86 m
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 501, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 17 THY H1' 17 THY H6 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 531, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 17 THY H1' 18 CYT H6 7.95 m
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 563, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 4 ADE H1' 5 GUA H8 4.9 m
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 140, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 16 CYT H1' 17 THY M 6.21
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr2= 534, 535, 536,
 &end
#
# 1 GUA H2'1 1 GUA H1' 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  10, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 2 CYT H2'1 2 CYT H1' 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  43, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 4 ADE H2'1 4 ADE H1' 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 105, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 5 GUA H2'1 5 GUA H1' 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 137, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 11 CYT H2'1 11 CYT H1' 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 341, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 13 GUA H2'1 13 GUA H1' 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 400, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 14 GUA H2'1 14 GUA H1' 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 433, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 18 CYT H2'1 18 CYT H1' 5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 560, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 21 THY H2'1 21 THY H1' 5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 653, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 24 CYT H2'1 24 CYT H1' 5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 750, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
# 1 GUA H2'1 1 GUA H3' 2.81
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  27, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
# 6 CYT H2'1 6 CYT H3' 2.53
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 184, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03,  &end
#
# 8 ADE H2'1 8 ADE H3' 2.67
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 260, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17,  &end
#
# 11 CYT H2'1 11 CYT H3' 2.75
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 355, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,  &end
#
# 13 GUA H2'1 13 GUA H3' 2.76
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 417, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
# 14 GUA H2'1 14 GUA H3' 2.66
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 450, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16,  &end
#
# 19 GUA H2'1 19 GUA H3' 2.67
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 607, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17,  &end
#
# 22 ADE H2'1 22 ADE H3' 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 701, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 24 CYT H2'1 24 CYT H3' 2.55
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 764, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05,  &end
#
# 2 CYT H2'1 2 CYT H5 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  48, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 6 CYT H2'1 6 CYT H5 4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 175, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 11 CYT H2'1 11 CYT H5 5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 346, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
# 15 ADE H2'1 16 CYT H5 6.84
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 503, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,  &end
#
# 18 CYT H2'1 18 CYT H5 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 565, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 20 CYT H2'1 20 CYT H5 5.2
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 628, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 2 CYT H2'1 2 CYT H6 2.34
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  46, r1= 1.30, r2= 1.80, r3= 2.34, r4= 2.84,  &end
#
# 6 CYT H2'1 6 CYT H6 2.26
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 173, r1= 1.30, r2= 1.80, r3= 2.26, r4= 2.76,  &end
#
# 10 THY H2'1 10 THY H6 2.71
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 312, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
# 11 CYT H2'1 11 CYT H6 2.31
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 344, r1= 1.30, r2= 1.80, r3= 2.31, r4= 2.81,  &end
#
# 15 ADE H2'1 16 CYT H6 5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 501, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
# 16 CYT H2'1 17 THY H6 2.4 m
 &rst
  ixpk= 0, nxpk= 0, iat= 514, 531, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 20 CYT H2'1 20 CYT H6 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 626, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 1 GUA H2'1 1 GUA H8 2.96
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  13, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 4 ADE H2'1 5 GUA H8 2.95 m
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 140, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 5 GUA H2'1 5 GUA H8 2.23 m
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 140, r1= 1.30, r2= 1.80, r3= 2.33, r4= 2.83,  &end
#
# 8 ADE H2'1 8 ADE H8 2.53
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 247, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03,  &end
#
# 9 GUA H2'1 9 GUA H8 2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 279, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 13 GUA H2'1 13 GUA H8 2.72
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 403, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,  &end
#
# 14 GUA H2'1 14 GUA H8 2.45 m
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 436, r1= 1.30, r2= 1.80, r3= 2.65, r4= 2.95,  &end
#
# 19 GUA H2'1 19 GUA H8 2.47
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 593, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,  &end
#
# 23 GUA H2'1 23 GUA H8 2.29
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 720, r1= 1.30, r2= 1.80, r3= 2.29, r4= 2.79,  &end
#
# 16 CYT H2'1 17 THY M 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 514,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 534, 535, 536,
 &end
#
# 17 THY H2'1 17 THY M 7.07
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr2= 534, 535, 536,
 &end
#
# 21 THY H2'1 21 THY M 6.85
 &rst
  ixpk= 0, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
 igr2= 659, 660, 661,
 &end
#
# 1 GUA H2'2 1 GUA H1' 2.38
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  10, r1= 1.30, r2= 1.80, r3= 2.38, r4= 2.88,  &end
#
# 2 CYT H2'2 2 CYT H1' 2.54
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  43, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04,  &end
#
# 4 ADE H2'2 4 ADE H1' 2.43
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 105, r1= 1.30, r2= 1.80, r3= 2.43, r4= 2.93,  &end
#
# 5 GUA H2'2 5 GUA H1' 2.36
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 137, r1= 1.30, r2= 1.80, r3= 2.36, r4= 2.86,  &end
#
# 8 ADE H2'2 8 ADE H1' 2.59
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 244, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09,  &end
#
# 11 CYT H2'2 11 CYT H1' 2.43
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 341, r1= 1.30, r2= 1.80, r3= 2.43, r4= 2.93,  &end
#
# 13 GUA H2'2 13 GUA H1' 2.46
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 400, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96,  &end
#
# 14 GUA H2'2 14 GUA H1' 2.42
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 433, r1= 1.30, r2= 1.80, r3= 2.42, r4= 2.92,  &end
#
# 16 CYT H2'2 16 CYT H1' 2.38
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 498, r1= 1.30, r2= 1.80, r3= 2.38, r4= 2.88,  &end
#
# 18 CYT H2'2 18 CYT H1' 2.48
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 560, r1= 1.30, r2= 1.80, r3= 2.48, r4= 2.98,  &end
#
# 21 THY H2'2 21 THY H1' 2.53
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 653, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03,  &end
#
# 24 CYT H2'2 24 CYT H1' 2.51
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 750, r1= 1.30, r2= 1.80, r3= 2.51, r4= 3.01,  &end
#
# 6 CYT H2'2 6 CYT H2'1 2.11
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 186, r1= 1.30, r2= 1.80, r3= 2.11, r4= 2.61,  &end
#
# 16 CYT H2'2 16 CYT H2'1 2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 514, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60,  &end
#
# 21 THY H2'2 21 THY H2'1 2.17
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 671, r1= 1.30, r2= 1.80, r3= 2.17, r4= 2.67,  &end
#
# 1 GUA H2'2 1 GUA H3' 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  27, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 3 THY H2'2 3 THY H3' 3.03
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  89, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 6 CYT H2'2 6 CYT H3' 2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 184, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 13 GUA H2'2 13 GUA H3' 4.9
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 417, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 14 GUA H2'2 14 GUA H3' 2.81
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 450, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
# 19 GUA H2'2 19 GUA H3' 2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 607, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 22 ADE H2'2 22 ADE H3' 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 701, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 23 GUA H2'2 23 GUA H3' 2.82
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 734, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 24 CYT H2'2 24 CYT H3' 6.12
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 764, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,  &end
#
# 15 ADE H2'2 16 CYT H5 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 503, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 2 CYT H2'2 2 CYT H6 4.6
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  46, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 6 CYT H2'2 6 CYT H6 3.29 m
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 173, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 10 THY H2'2 10 THY H6 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 312, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 11 CYT H2'2 11 CYT H6 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 344, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 15 ADE H2'2 16 CYT H6 2.77
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 501, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,  &end
#
# 16 CYT H2'2 16 CYT H6 2.81 m
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 501, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 18 CYT H2'2 18 CYT H6 2.47 m
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 563, r1= 1.30, r2= 1.80, r3= 3.67, r4= 3.97,  &end
#
# 1 GUA H2'2 1 GUA H8 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  13, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 4 ADE H2'2 5 GUA H8 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 140, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 5 GUA H2'2 5 GUA H8 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 140, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 8 ADE H2'2 8 ADE H8 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 247, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 9 GUA H2'2 9 GUA H8 5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 279, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
# 14 GUA H2'2 14 GUA H8 5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 436, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
# 19 GUA H2'2 19 GUA H8 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 593, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 23 GUA H2'2 23 GUA H8 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 720, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 16 CYT H2'2 17 THY M 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 534, 535, 536,
 &end
#
# 1 GUA H3' 1 GUA H1' 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  10, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 4 ADE H3' 4 ADE H1' 5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 105, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 5 GUA H3' 5 GUA H1' 6.11
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 137, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,  &end
#
# 7 S H3' 7 S H1' 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 206, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 8 ADE H3' 8 ADE H1' 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 244, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 11 CYT H3' 11 CYT H1' 6.41
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 341, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,  &end
#
# 12 CYT H3' 12 CYT H1' 5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 371, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 14 GUA H3' 14 GUA H1' 5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 433, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 15 ADE H3' 15 ADE H1' 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 466, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 22 ADE H3' 22 ADE H1' 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 685, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 23 GUA H3' 23 GUA H1' 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 717, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 4 ADE H3' 4 ADE H2'1 2.63 m
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 123, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 7 S H3' 7 S H2'1 2.72
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 204, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,  &end
#
# 4 ADE H3' 4 ADE H2'2 2.63 m
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 124, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.13,  &end
#
# 21 THY H3' 21 THY H2'2 2.87
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 672, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
# 2 CYT H3' 2 CYT H6 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  46, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 3 THY H3' 3 THY H6 4.14 m
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  76, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.64,  &end
#
# 6 CYT H3' 6 CYT H6 6.91
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 173, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,  &end
#
# 12 CYT H3' 12 CYT H6 2.91
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 374, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 15 ADE H3' 16 CYT H6 6.93
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 501, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,  &end
#
# 24 CYT H3' 24 CYT H6 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 764, 753, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 1 GUA H3' 1 GUA H8 6.26
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  13, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,  &end
#
# 5 GUA H3' 5 GUA H8 5.7
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 140, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 7 S H3' 7 S H8 6.74
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 211, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,  &end
#
# 9 GUA H3' 9 GUA H8 6.29
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 279, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,  &end
#
# 13 GUA H3' 13 GUA H8 6.79
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 403, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,  &end
#
# 14 GUA H3' 14 GUA H8 5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 436, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 19 GUA H3' 19 GUA H8 7.78
 &rst
  ixpk= 0, nxpk= 0, iat= 607, 593, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,  &end
#
# 23 GUA H3' 23 GUA H8 4.27 m
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 720, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 7 S H3g 7 S H1a 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 226, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 7 S H3g 7 S Qb 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 229, 228,
 &end
#
# 1 GUA H4' 1 GUA H1' 2.88
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  10, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
# 2 CYT H4' 2 CYT H1' 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  43, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 4 ADE H4' 4 ADE H1' 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 105, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 5 GUA H4' 5 GUA H1' 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 137, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 7 S H4' 7 S H1' 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 206, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 11 CYT H4' 11 CYT H1' 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 341, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 12 CYT H4' 12 CYT H1' 5.2
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 371, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 14 GUA H4' 14 GUA H1' 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 433, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 15 ADE H4' 15 ADE H1' 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 466, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 21 THY H4' 21 THY H1' 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 653, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 22 ADE H4' 22 ADE H1' 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 685, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 23 GUA H4' 23 GUA H1' 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 717, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 24 CYT H4' 24 CYT H1' 4
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 750, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 1 GUA H4' 1 GUA H2'1 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  29, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 2 CYT H4' 2 CYT H2'1 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  59, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 4 ADE H4' 4 ADE H2'1 5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 123, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
# 5 GUA H4' 5 GUA H2'1 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 156, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 7 S H4' 7 S H2'1 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 204, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 10 THY H4' 10 THY H2'1 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 327, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 15 ADE H4' 15 ADE H2'1 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 484, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 16 CYT H4' 16 CYT H2'1 5.3
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 514, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 21 THY H4' 21 THY H2'1 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 671, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 22 ADE H4' 22 ADE H2'1 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 703, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 23 GUA H4' 23 GUA H2'1 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 736, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 1 GUA H4' 1 GUA H2'2 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  30, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 2 CYT H4' 2 CYT H2'2 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  60, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 4 ADE H4' 4 ADE H2'2 6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 124, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
# 5 GUA H4' 5 GUA H2'2 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 157, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 7 S H4' 7 S H2'2 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 203, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 15 ADE H4' 15 ADE H2'2 5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 485, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 22 ADE H4' 22 ADE H2'2 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 704, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 23 GUA H4' 23 GUA H2'2 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 737, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 4 ADE H4' 4 ADE H3' 2.88
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 121, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
# 15 ADE H4' 15 ADE H3' 2.78 m
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 482, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.28,  &end
#
# 8 ADE H5'1 7 S H3g 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 231, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.18,  &end
#
# 12 CYT H4' 12 CYT H6 6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 374, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
# 4 ADE H4' 4 ADE H8 5.76
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 108, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
# 2 CYT H5 1 GUA H1' 6.1
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  10, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 24 CYT H5 23 GUA H1' 5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 717, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 2 CYT H5 1 GUA H2'1 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  29, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.90,  &end
#
# 6 CYT H5 5 GUA H2'1 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 156, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 11 CYT H5 10 THY H2'1 6.33
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 327, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,  &end
#
# 16 CYT H5 16 CYT H2'1 6.47
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 514, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,  &end
#
# 18 CYT H5 17 THY H2'1 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 546, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 20 CYT H5 19 GUA H2'1 3.39 m
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 609, r1= 1.30, r2= 1.80, r3= 3.59, r4= 3.89,  &end
#
# 24 CYT H5 23 GUA H2'1 5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 736, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
# 2 CYT H5 1 GUA H2'2 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  30, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 6 CYT H5 5 GUA H2'2 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 157, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 11 CYT H5 10 THY H2'2 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 328, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 18 CYT H5 17 THY H2'2 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 547, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 20 CYT H5 19 GUA H2'2 3.7
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 610, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 24 CYT H5 23 GUA H2'2 3.42  m
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 737, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 2 CYT H5 2 CYT H6 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  46, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 6 CYT H5 6 CYT H6 2.45
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 173, r1= 1.30, r2= 1.80, r3= 2.45, r4= 2.95,  &end
#
# 11 CYT H5 11 CYT H6 2.52
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 344, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02,  &end
#
# 12 CYT H5 11 CYT H6 6.21
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 344, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,  &end
#
# 12 CYT H5 12 CYT H6 2.43
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 374, r1= 1.30, r2= 1.80, r3= 2.43, r4= 2.93,  &end
#
# 16 CYT H5 16 CYT H6 2.61
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 501, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11,  &end
#
# 18 CYT H5 18 CYT H6 2.58
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 563, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08,  &end
#
# 20 CYT H5 20 CYT H6 2.63
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 626, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13,  &end
#
# 24 CYT H5 24 CYT H6 2.51
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 753, r1= 1.30, r2= 1.80, r3= 2.51, r4= 3.01,  &end
#
# 20 CYT H5 19 GUA H8 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 593, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 24 CYT H5 23 GUA H8 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 720, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 16 CYT H5 17 THY M 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 534, 535, 536,
 &end
#
# 18 CYT H5 17 THY M 6.14
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr2= 534, 535, 536,
 &end
#
# 5 GUA H5'1 5 GUA H1' 3.6 m
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 137, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.10,  &end
#
# 7 S H5'1 7 S H1' 3.7 m
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 206, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.20,  &end
#
# 15 ADE H5'1 15 ADE H1' 3.72 m
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 466, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 6 CYT H5'1 6 CYT H2'1 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 186, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 7 S H5'1 7 S H2'1 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 204, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 7 S H5'1 7 S H2'2 4.22 m
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 203, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.72,  &end
#
# 4 ADE H5'1 4 ADE H3' 5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 121, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 15 ADE H5'1 15 ADE H3' 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 482, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 10 THY H5'1 10 THY H6 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 312, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 4 ADE H5'1 4 ADE H8 3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 108, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 5 GUA H5'1 5 GUA H8 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 140, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 5 GUA H5'2 5 GUA H1' 4.38 m
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 137, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 7 S H5'2 7 S H1' 5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 206, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
# 15 ADE H5'2 15 ADE H1' 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 466, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 4 ADE H5'2 4 ADE H3' 2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 121, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 4 ADE H5'2 4 ADE H8 5.8
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 108, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 2 CYT H6 1 GUA H1' 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  10, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 2 CYT H6 2 CYT H1' 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  43, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 6 CYT H6 5 GUA H1' 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 137, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 11 CYT H6 11 CYT H1' 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 341, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 12 CYT H6 12 CYT H1' 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 371, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 16 CYT H6 16 CYT H1' 6.18
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 498, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,  &end
#
# 20 CYT H6 19 GUA H1' 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 590, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 24 CYT H6 24 CYT H1' 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 753, 750, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 2 CYT H6 1 GUA H2'1 4.3
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  29, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 11 CYT H6 10 THY H2'1 3.63 m
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 327, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.13,  &end
#
# 16 CYT H6 16 CYT H2'1 2.68
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 514, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18,  &end
#
# 20 CYT H6 19 GUA H2'1 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 609, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 21 THY H6 21 THY H2'1 2.46 m
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 671, r1= 1.30, r2= 1.80, r3= 2.56, r4= 2.96,  &end
#
# 2 CYT H6 1 GUA H2'2 2.71
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  30, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
# 3 THY H6 2 CYT H2'2 2.39
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  60, r1= 1.30, r2= 1.80, r3= 2.39, r4= 2.89,  &end
#
# 18 CYT H6 17 THY H2'2 2.32
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 547, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82,  &end
#
# 20 CYT H6 19 GUA H2'2 2.81
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 610, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
# 21 THY H6 21 THY H2'2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 672, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 24 CYT H6 23 GUA H2'2 2.53
 &rst
  ixpk= 0, nxpk= 0, iat= 753, 737, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03,  &end
#
# 3 THY H6 2 CYT H3' 3.68 m
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  57, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 12 CYT H6 11 CYT H3' 8.59
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 355, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09,  &end
#
# 24 CYT H6 23 GUA H3' 6.28
 &rst
  ixpk= 0, nxpk= 0, iat= 753, 734, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,  &end
#
# 24 CYT H6 23 GUA H8 3.69 m
 &rst
  ixpk= 0, nxpk= 0, iat= 753, 720, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 16 CYT H6 17 THY M 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 534, 535, 536,
 &end
#
# 5 GUA H8 5 GUA H1' 6.28
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 137, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,  &end
#
# 7 S H8 7 S H1' 7.78
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 206, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,  &end
#
# 8 ADE H8 7 S H1' 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 206, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 8 ADE H8 8 ADE H1' 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 244, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 13 GUA H8 13 GUA H1' 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 400, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 14 GUA H8 13 GUA H1' 5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 400, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
# 14 GUA H8 14 GUA H1' 5.76
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 433, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
# 15 ADE H8 15 ADE H1' 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 466, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 19 GUA H8 18 CYT H1' 5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 560, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
# 19 GUA H8 19 GUA H1' 5.1
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 590, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 23 GUA H8 22 ADE H1' 6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 685, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 4 ADE H8 3 THY H2'1 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  91, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 7 S H8 6 CYT H2'1 5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 186, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 7 S H8 7 S H2'1 2.65
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 204, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
# 9 GUA H8 8 ADE H2'1 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 262, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 19 GUA H8 18 CYT H2'1 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 576, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 22 ADE H8 21 THY H2'1 5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 671, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
# 23 GUA H8 22 ADE H2'1 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 703, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 4 ADE H8 3 THY H2'2 3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  92, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
# 7 S H8 6 CYT H2'2 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 187, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 7 S H8 7 S H2'2 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 203, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 8 ADE H8 7 S H2'2 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 203, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 9 GUA H8 8 ADE H2'2 2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 263, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 14 GUA H8 13 GUA H2'2 2.57 m
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 420, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.07,  &end
#
# 19 GUA H8 18 CYT H2'2 2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 577, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 22 ADE H8 21 THY H2'2 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 672, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 23 GUA H8 22 ADE H2'2 2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 704, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 4 ADE H8 3 THY H3' 6.62
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  89, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,  &end
#
# 14 GUA H8 13 GUA H3' 5.8
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 417, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 15 ADE H8 16 CYT H5 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 503, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 15 ADE H8 16 CYT H6 5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 501, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
# 3 THY M 2 CYT H1' 6.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1=  79,  80,  81,
 &end
#
# 7 S M 18 CYT H1' 5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 223, 224, 225,
 &end
#
# 7 S M 19 GUA H1' 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 223, 224, 225,
 &end
#
# 21 THY M 20 CYT H1' 6.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 659, 660, 661,
 &end
#
# 7 S M 7 S H1a 2.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr1= 223, 224, 225,
 &end
#
# 10 THY M 9 GUA H2'1 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 315, 316, 317,
 &end
#
# 21 THY M 20 CYT H2'1 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 659, 660, 661,
 &end
#
# 3 THY M 2 CYT H2'2 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=  79,  80,  81,
 &end
#
# 10 THY M 9 GUA H2'2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 315, 316, 317,
 &end
#
# 21 THY M 20 CYT H2'2 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 659, 660, 661,
 &end
#
# 7 S M 7 S H3g 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 223, 224, 225,
 &end
#
# 7 S M 19 GUA H4' 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 223, 224, 225,
 &end
#
# 3 THY M 2 CYT H5 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  48, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=  79,  80,  81,
 &end
#
# 21 THY M 20 CYT H5 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 659, 660, 661,
 &end
#
# 3 THY M 2 CYT H6 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=  79,  80,  81,
 &end
#
# 3 THY M 3 THY H6 2.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1=  79,  80,  81,
 &end
#
# 10 THY M 10 THY H6 3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 315, 316, 317,
 &end
#
# 17 THY M 17 THY H6 3.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr1= 534, 535, 536,
 &end
#
# 10 THY M 9 GUA H8 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 279, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 315, 316, 317,
 &end
#
# 7 S M 7 S Qb 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 223, 224, 225,
 igr2= 229, 228,
 &end
#
# 12 CYT Q5' 12 CYT H1' 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 365, 366,
 &end
#
# 1 GUA Q5' 1 GUA H2'1 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  29, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=   4,   5,
 &end
#
# 13 GUA Q5' 13 GUA H2'1 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 394, 395,
 &end
#
# 1 GUA Q5' 1 GUA H2'2 5.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=   4,   5,
 &end
#
# 13 GUA Q5' 13 GUA H2'2 6.4
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1= 394, 395,
 &end
#
# 1 GUA Q5' 1 GUA H3' 2.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  27, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   4,   5,
 &end
#
# 13 GUA Q5' 13 GUA H3' 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr1= 394, 395,
 &end
#
# 12 CYT Q5' 12 CYT H6 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 365, 366,
 &end
#
# 1 GUA Q5' 1 GUA H8 6.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr1=   4,   5,
 &end
#
# 13 GUA Q5' 13 GUA H8 6.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1= 394, 395,
 &end
# 769 atoms read from pdb file /home/youngjin/OPEN_S/EM/xleap/o4.n.pdb.
# 2 CYT ALPHA:  (1 DG5 O3')-(2 DC P)-(2 DC O5')-(2 DC C5') -90.0 -50.0
 &rst     iat =    31,    32,    35,    36,
   r1 = -91.0, r2 = -90.0, r3 = -50.0, r4 = -49.0,
   rk2 =  00.0, rk3 =  00.0,    &end

# 3 THY ALPHA:  (2 DC O3')-(3 DT P)-(3 DT O5')-(3 DT C5') -90.0 -50.0
 &rst     iat =    61,    62,    65,    66,
   r1 = -91.0, r2 = -90.0, r3 = -50.0, r4 = -49.0,
 &end

# 4 ADE ALPHA:  (3 DT O3')-(4 DA P)-(4 DA O5')-(4 DA C5') -90.0 -50.0
 &rst     iat =    93,    94,    97,    98,
   r1 = -91.0, r2 = -90.0, r3 = -50.0, r4 = -49.0,
 &end

# 5 GUA ALPHA:  (4 DA O3')-(5 DG P)-(5 DG O5')-(5 DG C5') -90.0 -50.0
 &rst     iat =   125,   126,   129,   130,
   r1 = -91.0, r2 = -90.0, r3 = -50.0, r4 = -49.0,
 &end

# 6 CYT ALPHA:  (5 DG O3')-(6 DC P)-(6 DC O5')-(6 DC C5') -70.m -50.0
 &rst     iat =   158,   159,   162,   163,
   r1 = -71.0, r2 = -70.0, r3 = -50.0, r4 = -49.0,
 &end

# 7 S ALPHA:  (6 DC O3')-(7 DS P)-(7 DS O5')-(7 DS C5') -90.0 -50.0
# &rst     iat =   188,   190,   192,   193,
#   r1 = -91.0, r2 = -90.0, r3 = -50.0, r4 = -49.0,
# &end
#
# 8 ADE ALPHA:  (7 DS O3')-(8 DA P)-(8 DA O5')-(8 DA C5') -90.0 -50.0
# &rst     iat =   200,   233,   236,   237,
#   r1 = -91.0, r2 = -90.0, r3 = -50.0, r4 = -49.0,
## &end
#
# 9 GUA ALPHA:  (8 DA O3')-(9 DG P)-(9 DG O5')-(9 DG C5') -90.0 -50.0
 &rst     iat =   264,   265,   268,   269,
   r1 = -91.0, r2 = -90.0, r3 = -50.0, r4 = -49.0,
 &end

# 11 CYT ALPHA:  (10 DT O3')-(11 DC P)-(11 DC O5')-(11 DC C5') -90.0 -50.0
 &rst     iat =   329,   330,   333,   334,
   r1 = -91.0, r2 = -90.0, r3 = -50.0, r4 = -49.0,
 &end

# 14 GUA ALPHA:  (13 DG5 O3')-(14 DG P)-(14 DG O5')-(14 DG C5') -90.0 -50.0
 &rst     iat =   421,   422,   425,   426,
   r1 = -91.0, r2 = -90.0, r3 = -50.0, r4 = -49.0,
 &end

# 15 ADE ALPHA:  (14 DG O3')-(15 DA P)-(15 DA O5')-(15 DA C5') -90.m -50.0
 &rst     iat =   454,   455,   458,   459,
   r1 = -71.0, r2 = -70.0, r3 = -50.0, r4 = -49.0,
 &end

# 16 CYT ALPHA:  (15 DA O3')-(16 DC P)-(16 DC O5')-(16 DC C5') -90.0 -50.0
 &rst     iat =   486,   487,   490,   491,
   r1 = -91.0, r2 = -90.0, r3 = -50.0, r4 = -49.0,
 &end

# 17 THY ALPHA:  (16 DC O3')-(17 DT P)-(17 DT O5')-(17 DT C5') -70.m -50.0
 &rst     iat =   516,   517,   520,   521,
   r1 = -71.0, r2 = -70.0, r3 = -50.0, r4 = -49.0,
 &end

# 18 CYT ALPHA:  (17 DT O3')-(18 DC P)-(18 DC O5')-(18 DC C5') -90.0 -50.0
 &rst     iat =   548,   549,   552,   553,
   r1 = -91.0, r2 = -90.0, r3 = -50.0, r4 = -49.0,
 &end

# 19 GUA ALPHA:  (18 DC O3')-(19 DG P)-(19 DG O5')-(19 DG C5') -90.0 -50.0
 &rst     iat =   578,   579,   582,   583,
   r1 = -91.0, r2 = -90.0, r3 = -50.0, r4 = -49.0,
 &end

# 21 THY ALPHA:  (20 DC O3')-(21 DT P)-(21 DT O5')-(21 DT C5') -90.0 -50.0
 &rst     iat =   641,   642,   645,   646,
   r1 = -91.0, r2 = -90.0, r3 = -50.0, r4 = -49.0,
 &end

# 22 ADE ALPHA:  (21 DT O3')-(22 DA P)-(22 DA O5')-(22 DA C5') -90.0 -50.0
 &rst     iat =   673,   674,   677,   678,
   r1 = -91.0, r2 = -90.0, r3 = -50.0, r4 = -49.0,
 &end

# 23 GUA ALPHA:  (22 DA O3')-(23 DG P)-(23 DG O5')-(23 DG C5') -90.0 -50.0
 &rst     iat =   705,   706,   709,   710,
   r1 = -91.0, r2 = -90.0, r3 = -50.0, r4 = -49.0,
 &end

# 2 CYT BETA:  (2 DC P)-(2 DC O5')-(2 DC C5')-(2 DC C4') 135.0 210.0
 &rst     iat =    32,    35,    36,    39,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 3 THY BETA:  (3 DT P)-(3 DT O5')-(3 DT C5')-(3 DT C4') 135.0 210.0
 &rst     iat =    62,    65,    66,    69,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 4 ADE BETA:  (4 DA P)-(4 DA O5')-(4 DA C5')-(4 DA C4') 135.0 210.0
 &rst     iat =    94,    97,    98,   101,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 5 GUA BETA:  (5 DG P)-(5 DG O5')-(5 DG C5')-(5 DG C4') 135.0 210.0
 &rst     iat =   126,   129,   130,   133,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 6 CYT BETA:  (6 DC P)-(6 DC O5')-(6 DC C5')-(6 DC C4') 135.0 210.0
 &rst     iat =   159,   162,   163,   166,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 7 S BETA:  (7 DS P)-(7 DS O5')-(7 DS C5')-(7 DS C4') 135.0 210.0
# &rst     iat =   190,   192,   193,   196,
#   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
# &end
#
# 8 ADE BETA:  (8 DA P)-(8 DA O5')-(8 DA C5')-(8 DA C4') 135.0 210.0
# &rst     iat =   233,   236,   237,   240,
#   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
# &end
#
# 9 GUA BETA:  (9 DG P)-(9 DG O5')-(9 DG C5')-(9 DG C4') 135.0 210.0
 &rst     iat =   265,   268,   269,   272,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 10 THY BETA:  (10 DT P)-(10 DT O5')-(10 DT C5')-(10 DT C4') 135.0 210.0
 &rst     iat =   298,   301,   302,   305,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 11 CYT BETA:  (11 DC P)-(11 DC O5')-(11 DC C5')-(11 DC C4') 135.0 210.0
 &rst     iat =   330,   333,   334,   337,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 12 CYT BETA:  (12 DC3 P)-(12 DC3 O5')-(12 DC3 C5')-(12 DC3 C4') 135.0 210.0
 &rst     iat =   360,   363,   364,   367,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 14 GUA BETA:  (14 DG P)-(14 DG O5')-(14 DG C5')-(14 DG C4') 135.0 210.0
 &rst     iat =   422,   425,   426,   429,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 15 ADE BETA:  (15 DA P)-(15 DA O5')-(15 DA C5')-(15 DA C4') 135.0 210.0
 &rst     iat =   455,   458,   459,   462,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 16 CYT BETA:  (16 DC P)-(16 DC O5')-(16 DC C5')-(16 DC C4') 135.0 210.0
 &rst     iat =   487,   490,   491,   494,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 17 THY BETA:  (17 DT P)-(17 DT O5')-(17 DT C5')-(17 DT C4') 135.0 210.0
 &rst     iat =   517,   520,   521,   524,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 18 CYT BETA:  (18 DC P)-(18 DC O5')-(18 DC C5')-(18 DC C4') 135.0 210.0
 &rst     iat =   549,   552,   553,   556,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 19 GUA BETA:  (19 DG P)-(19 DG O5')-(19 DG C5')-(19 DG C4') 135.0 210.0
 &rst     iat =   579,   582,   583,   586,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 20 CYT BETA:  (20 DC P)-(20 DC O5')-(20 DC C5')-(20 DC C4') 135.0 210.0
 &rst     iat =   612,   615,   616,   619,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 21 THY BETA:  (21 DT P)-(21 DT O5')-(21 DT C5')-(21 DT C4') 135.0 210.0
 &rst     iat =   642,   645,   646,   649,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 22 ADE BETA:  (22 DA P)-(22 DA O5')-(22 DA C5')-(22 DA C4') 1m5.0 210.0
 &rst     iat =   674,   677,   678,   681,
   r1 = 159.0, r2 = 160.0, r3 = 210.0, r4 = 211.0,
 &end

# 23 GUA BETA:  (23 DG P)-(23 DG O5')-(23 DG C5')-(23 DG C4') 135.0 210.0
 &rst     iat =   706,   709,   710,   713,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 24 CYT BETA:  (24 DC3 P)-(24 DC3 O5')-(24 DC3 C5')-(24 DC3 C4') 135.0 210.0
 &rst     iat =   739,   742,   743,   746,
   r1 = 134.0, r2 = 135.0, r3 = 210.0, r4 = 211.0,
 &end

# 2 CYT EPSILN:  (2 DC C4')-(2 DC C3')-(2 DC O3')-(3 DT P) 120.0 200.0
 &rst     iat =    39,    56,    61,    62,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 3 THY EPSILN:  (3 DT C4')-(3 DT C3')-(3 DT O3')-(4 DA P) 120.0 200.0
 &rst     iat =    69,    88,    93,    94,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 4 ADE EPSILN:  (4 DA C4')-(4 DA C3')-(4 DA O3')-(5 DG P) 120.0 200.0
 &rst     iat =   101,   120,   125,   126,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 5 GUA EPSILN:  (5 DG C4')-(5 DG C3')-(5 DG O3')-(6 DC P) 120.0 200.0
 &rst     iat =   133,   153,   158,   159,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 6 CYT EPSILN:  (6 DC C4')-(6 DC C3')-(6 DC O3')-(7 DS P) 120.0 200.0
 &rst     iat =   166,   183,   188,   190,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 7 S EPSILN:  (7 DS C4')-(7 DS C3')-(7 DS O3')-(8 DA P) 120.0 200.0
 &rst     iat =   196,   199,   200,   233,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 8 ADE EPSILN:  (8 DA C4')-(8 DA C3')-(8 DA O3')-(9 DG P) 120.0 200.0
 &rst     iat =   240,   259,   264,   265,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 9 GUA EPSILN:  (9 DG C4')-(9 DG C3')-(9 DG O3')-(10 DT P) 120.0 200.0
 &rst     iat =   272,   292,   297,   298,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 10 THY EPSILN:  (10 DT C4')-(10 DT C3')-(10 DT O3')-(11 DC P) 120.0 200.0
 &rst     iat =   305,   324,   329,   330,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 11 CYT EPSILN:  (11 DC C4')-(11 DC C3')-(11 DC O3')-(12 DC3 P) 120.m 200.0
 &rst     iat =   337,   354,   359,   360,
   r1 = 129.0, r2 = 130.0, r3 = 200.0, r4 = 201.0,
 &end

# 14 GUA EPSILN:  (14 DG C4')-(14 DG C3')-(14 DG O3')-(15 DA P) 120.0 200.0
 &rst     iat =   429,   449,   454,   455,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 15 ADE EPSILN:  (15 DA C4')-(15 DA C3')-(15 DA O3')-(16 DC P) 120.0 200.0
 &rst     iat =   462,   481,   486,   487,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 16 CYT EPSILN:  (16 DC C4')-(16 DC C3')-(16 DC O3')-(17 DT P) 120.0 200.0
 &rst     iat =   494,   511,   516,   517,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 17 THY EPSILN:  (17 DT C4')-(17 DT C3')-(17 DT O3')-(18 DC P) 120.0 200.0
 &rst     iat =   524,   543,   548,   549,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 18 CYT EPSILN:  (18 DC C4')-(18 DC C3')-(18 DC O3')-(19 DG P) 120.0 200.0
 &rst     iat =   556,   573,   578,   579,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 19 GUA EPSILN:  (19 DG C4')-(19 DG C3')-(19 DG O3')-(20 DC P) 120.0 200.0
 &rst     iat =   586,   606,   611,   612,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 20 CYT EPSILN:  (20 DC C4')-(20 DC C3')-(20 DC O3')-(21 DT P) 120.0 200.0
 &rst     iat =   619,   636,   641,   642,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 21 THY EPSILN:  (21 DT C4')-(21 DT C3')-(21 DT O3')-(22 DA P) 120.0 200.0
 &rst     iat =   649,   668,   673,   674,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 22 ADE EPSILN:  (22 DA C4')-(22 DA C3')-(22 DA O3')-(23 DG P) 120.0 200.0
 &rst     iat =   681,   700,   705,   706,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 23 GUA EPSILN:  (23 DG C4')-(23 DG C3')-(23 DG O3')-(24 DC3 P) 120.0 200.0
 &rst     iat =   713,   733,   738,   739,
   r1 = 119.0, r2 = 120.0, r3 = 200.0, r4 = 201.0,
 &end

# 2 CYT GAMMA:  (2 DC O5')-(2 DC C5')-(2 DC C4')-(2 DC C3')  40.0  80.0
 &rst     iat =    35,    36,    39,    56,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 3 THY GAMMA:  (3 DT O5')-(3 DT C5')-(3 DT C4')-(3 DT C3')  40.0  80.0
 &rst     iat =    65,    66,    69,    88,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 4 ADE GAMMA:  (4 DA O5')-(4 DA C5')-(4 DA C4')-(4 DA C3')  40.0  80.0
 &rst     iat =    97,    98,   101,   120,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 5 GUA GAMMA:  (5 DG O5')-(5 DG C5')-(5 DG C4')-(5 DG C3')  40.0  80.0
 &rst     iat =   129,   130,   133,   153,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 6 CYT GAMMA:  (6 DC O5')-(6 DC C5')-(6 DC C4')-(6 DC C3')  40.0  80.0
 &rst     iat =   162,   163,   166,   183,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 7 S GAMMA:  (7 DS O5')-(7 DS C5')-(7 DS C4')-(7 DS C3')  40.0  80.0
# &rst     iat =   192,   193,   196,   199,
#   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
# &end
#
# 8 ADE GAMMA:  (8 DA O5')-(8 DA C5')-(8 DA C4')-(8 DA C3')  40.0  80.0
# &rst     iat =   236,   237,   240,   259,
#   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
# &end
#
# 9 GUA GAMMA:  (9 DG O5')-(9 DG C5')-(9 DG C4')-(9 DG C3')  40.0  80.0
 &rst     iat =   268,   269,   272,   292,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 10 THY GAMMA:  (10 DT O5')-(10 DT C5')-(10 DT C4')-(10 DT C3')  40.0  80.0
 &rst     iat =   301,   302,   305,   324,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 11 CYT GAMMA:  (11 DC O5')-(11 DC C5')-(11 DC C4')-(11 DC C3')  40.0  80.0
 &rst     iat =   333,   334,   337,   354,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 12 CYT GAMMA:  (12 DC3 O5')-(12 DC3 C5')-(12 DC3 C4')-(12 DC3 C3')  40.0  80.m
 &rst     iat =   363,   364,   367,   384,
   r1 =  39.0, r2 =  40.0, r3 =  70.0, r4 =  71.0,
 &end

# 14 GUA GAMMA:  (14 DG O5')-(14 DG C5')-(14 DG C4')-(14 DG C3')  40.0  80.0
 &rst     iat =   425,   426,   429,   449,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 15 ADE GAMMA:  (15 DA O5')-(15 DA C5')-(15 DA C4')-(15 DA C3')  40.0  80.0
 &rst     iat =   458,   459,   462,   481,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 16 CYT GAMMA:  (16 DC O5')-(16 DC C5')-(16 DC C4')-(16 DC C3')  40.0  80.0
 &rst     iat =   490,   491,   494,   511,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 17 THY GAMMA:  (17 DT O5')-(17 DT C5')-(17 DT C4')-(17 DT C3')  40.0  80.m
 &rst     iat =   520,   521,   524,   543,
   r1 =  39.0, r2 =  40.0, r3 =  70.0, r4 =  71.0,
 &end

# 18 CYT GAMMA:  (18 DC O5')-(18 DC C5')-(18 DC C4')-(18 DC C3')  40.0  80.0
 &rst     iat =   552,   553,   556,   573,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 19 GUA GAMMA:  (19 DG O5')-(19 DG C5')-(19 DG C4')-(19 DG C3')  40.0  80.0
 &rst     iat =   582,   583,   586,   606,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 20 CYT GAMMA:  (20 DC O5')-(20 DC C5')-(20 DC C4')-(20 DC C3')  40.0  80.0
 &rst     iat =   615,   616,   619,   636,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 21 THY GAMMA:  (21 DT O5')-(21 DT C5')-(21 DT C4')-(21 DT C3')  40.0  80.0
 &rst     iat =   645,   646,   649,   668,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 22 ADE GAMMA:  (22 DA O5')-(22 DA C5')-(22 DA C4')-(22 DA C3')  40.0  80.m
 &rst     iat =   677,   678,   681,   700,
   r1 =  39.0, r2 =  40.0, r3 =  70.0, r4 =  71.0,
 &end

# 23 GUA GAMMA:  (23 DG O5')-(23 DG C5')-(23 DG C4')-(23 DG C3')  40.0  80.0
 &rst     iat =   709,   710,   713,   733,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 24 CYT GAMMA:  (24 DC3 O5')-(24 DC3 C5')-(24 DC3 C4')-(24 DC3 C3')  40.0  80.0
 &rst     iat =   742,   743,   746,   763,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 2 CYT ZETA:  (2 DC C3')-(2 DC O3')-(3 DT P)-(3 DT O5') 160.0 285.0
 &rst     iat =    56,    61,    62,    65,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end

# 3 THY ZETA:  (3 DT C3')-(3 DT O3')-(4 DA P)-(4 DA O5') 160.0 285.0
 &rst     iat =    88,    93,    94,    97,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end

# 4 ADE ZETA:  (4 DA C3')-(4 DA O3')-(5 DG P)-(5 DG O5') 160.0 285.0
 &rst     iat =   120,   125,   126,   129,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end

# 5 GUA ZETA:  (5 DG C3')-(5 DG O3')-(6 DC P)-(6 DC O5') 160.0 285.0
 &rst     iat =   153,   158,   159,   162,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end

# 6 CYT ZETA:  (6 DC C3')-(6 DC O3')-(7 DS P)-(7 DS O5') 160.0 285.0
 &rst     iat =   183,   188,   190,   192,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end

# 7 S ZETA:  (7 DS C3')-(7 DS O3')-(8 DA P)-(8 DA O5') 160.0 285.0
 &rst     iat =   199,   200,   233,   236,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end

# 8 ADE ZETA:  (8 DA C3')-(8 DA O3')-(9 DG P)-(9 DG O5') 160.0 285.0
 &rst     iat =   259,   264,   265,   268,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end

# 9 GUA ZETA:  (9 DG C3')-(9 DG O3')-(10 DT P)-(10 DT O5') 160.0 285.0
 &rst     iat =   292,   297,   298,   301,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end

# 10 THY ZETA:  (10 DT C3')-(10 DT O3')-(11 DC P)-(11 DC O5') 160.m 285.0
 &rst     iat =   324,   329,   330,   333,
   r1 = 179.0, r2 = 180.0, r3 = 285.0, r4 = 286.0,
 &end

# 11 CYT ZETA:  (11 DC C3')-(11 DC O3')-(12 DC3 P)-(12 DC3 O5') 160.0 285.0
 &rst     iat =   354,   359,   360,   363,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end

# 14 GUA ZETA:  (14 DG C3')-(14 DG O3')-(15 DA P)-(15 DA O5') 160.0 285.0
 &rst     iat =   449,   454,   455,   458,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end

# 15 ADE ZETA:  (15 DA C3')-(15 DA O3')-(16 DC P)-(16 DC O5') 160.0 285.0
 &rst     iat =   481,   486,   487,   490,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end

# 16 CYT ZETA:  (16 DC C3')-(16 DC O3')-(17 DT P)-(17 DT O5') 160.0 285.0
 &rst     iat =   511,   516,   517,   520,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end

# 17 THY ZETA:  (17 DT C3')-(17 DT O3')-(18 DC P)-(18 DC O5') 160.0 285.0
 &rst     iat =   543,   548,   549,   552,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end

# 18 CYT ZETA:  (18 DC C3')-(18 DC O3')-(19 DG P)-(19 DG O5') 160.0 285.0
 &rst     iat =   573,   578,   579,   582,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end

# 19 GUA ZETA:  (19 DG C3')-(19 DG O3')-(20 DC P)-(20 DC O5') 160.0 285.0
 &rst     iat =   606,   611,   612,   615,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end

# 20 CYT ZETA:  (20 DC C3')-(20 DC O3')-(21 DT P)-(21 DT O5') 160.0 285.0
 &rst     iat =   636,   641,   642,   645,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end

# 21 THY ZETA:  (21 DT C3')-(21 DT O3')-(22 DA P)-(22 DA O5') 160.0 285.0
 &rst     iat =   668,   673,   674,   677,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end

# 22 ADE ZETA:  (22 DA C3')-(22 DA O3')-(23 DG P)-(23 DG O5') 160.0 285.0
 &rst     iat =   700,   705,   706,   709,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end

# 23 GUA ZETA:  (23 DG C3')-(23 DG O3')-(24 DC3 P)-(24 DC3 O5') 160.0 285.0
 &rst     iat =   733,   738,   739,   742,
   r1 = 159.0, r2 = 160.0, r3 = 285.0, r4 = 286.0,
 &end


  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          1H5*        G   1   1.017  -8.975  -3.477
    2   2H5*    G   1          2H5*        G   1  -0.362  -7.908  -3.163
    3    H4*    G   1           H4*        G   1   2.418  -6.920  -3.943
    4    H3*    G   1           H3*        G   1   1.679  -8.003  -1.408
    5    H1*    G   1           H1*        G   1   2.225  -4.415  -2.395
    6    H8     G   1           H8         G   1  -1.614  -4.859  -1.740
    7    H1     G   1           H1         G   1   0.611   1.203  -1.771
    8   1H2     G   1          1H2         G   1   2.812   1.144  -2.066
    9   2H2     G   1          2H2         G   1   3.636  -0.399  -2.331
   10    H5T    G   1           H5T        G   1  -0.062  -7.083  -5.351
   11   1H2*    G   1          1H2*        G   1   0.292  -6.193  -0.841
   12   2H2*    G   1          2H2*        G   1   1.842  -5.503  -0.280
   13   1H5*    C   2          1H5*        C   2   5.209  -5.000  -2.149
   14   2H5*    C   2          2H5*        C   2   6.621  -5.615  -1.292
   15    H4*    C   2           H4*        C   2   6.785  -3.231  -1.666
   16    H3*    C   2           H3*        C   2   7.300  -4.382   0.806
   17    H1*    C   2           H1*        C   2   5.477  -1.078   0.342
   18   1H4     C   2          1H4         C   2  -0.542  -0.155   1.666
   19   2H4     C   2          2H4         C   2  -0.969  -1.873   1.637
   20    H5     C   2           H5         C   2   0.732  -3.597   1.302
   21    H6     C   2           H6         C   2   3.116  -3.946   0.809
   22   1H2*    C   2          1H2*        C   2   5.254  -3.737   1.797
   23   2H2*    C   2          2H2*        C   2   6.230  -2.303   2.228
   24   1H5*    T   3          1H5*        T   3  10.015  -0.333   3.495
   25   2H5*    T   3          2H5*        T   3   8.879  -1.537   4.102
   26    H4*    T   3           H4*        T   3   8.547   1.465   3.898
   27    H3*    T   3           H3*        T   3   9.088  -0.266   6.026
   28   1H2*    T   3          1H2*        T   3   7.065  -1.525   5.607
   29   2H2*    T   3          2H2*        T   3   6.586  -0.473   6.979
   30    H1*    T   3           H1*        T   3   5.913   1.302   5.417
   31    H3     T   3           H3         T   3   1.558   0.810   4.707
   32   1H5M    T   3          1H5M        T   3   2.314  -3.853   3.748
   33   2H5M    T   3          2H5M        T   3   3.857  -4.142   4.584
   34   3H5M    T   3          3H5M        T   3   2.358  -3.903   5.513
   35    H6     T   3           H6         T   3   5.241  -2.305   4.687
   36   1H5*    A   4          1H5*        A   4   7.866   5.664   4.952
   37   2H5*    A   4          2H5*        A   4   8.895   5.562   6.362
   38    H4*    A   4           H4*        A   4   6.339   6.318   6.379
   39    H3*    A   4           H3*        A   4   8.062   5.438   8.523
   40    H1*    A   4           H1*        A   4   4.308   5.115   7.901
   41    H8     A   4           H8         A   4   6.070   1.634   7.958
   42   1H6     A   4          1H6         A   4   0.192  -0.524   8.148
   43   2H6     A   4          2H6         A   4   1.882  -1.026   8.117
   44    H2     A   4           H2         A   4   0.009   3.809   8.267
   45   1H2*    A   4          1H2*        A   4   6.714   3.636   9.049
   46   2H2*    A   4          2H2*        A   4   5.689   4.854   9.850
   47   1H5*    G   5          1H5*        G   5   4.105   7.907   8.851
   48   2H5*    G   5          2H5*        G   5   4.360   9.256   9.960
   49    H4*    G   5           H4*        G   5   2.041   8.644   9.959
   50    H3*    G   5           H3*        G   5   3.557   8.731  12.363
   51    H1*    G   5           H1*        G   5   0.619   6.477  11.480
   52    H8     G   5           H8         G   5   3.910   4.363  11.550
   53    H1     G   5           H1         G   5  -1.619   1.027  11.564
   54   1H2     G   5          1H2         G   5  -3.308   2.445  11.697
   55   2H2     G   5          2H2         G   5  -3.012   4.185  11.697
   56   1H2*    G   5          1H2*        G   5   3.366   6.442  12.795
   57   2H2*    G   5          2H2*        G   5   1.803   6.942  13.509
   58   1H5*    C   6          1H5*        C   6  -1.123   8.584  12.685
   59   2H5*    C   6          2H5*        C   6  -1.720   9.729  13.892
   60    H4*    C   6           H4*        C   6  -2.993   7.664  13.993
   61    H3*    C   6           H3*        C   6  -1.792   8.789  16.301
   62    H1*    C   6           H1*        C   6  -2.298   5.240  15.523
   63   1H4     C   6          1H4         C   6   1.728   0.567  14.617
   64   2H4     C   6          2H4         C   6   3.158   1.579  14.853
   65    H5     C   6           H5         C   6   2.983   3.963  15.314
   66    H6     C   6           H6         C   6   1.410   5.818  15.541
   67   1H2*    C   6          1H2*        C   6  -0.071   7.155  16.360
   68   2H2*    C   6          2H2*        C   6  -1.290   6.368  17.412
   69   1H5*  KAG   7          1H5*      KAG   7  -6.626   7.347  18.526
   70   2H5*  KAG   7          2H5*      KAG   7  -5.048   6.554  18.398
   71    H4*  KAG   7           H4*      KAG   7  -7.535   5.451  17.042
   72    H3*  KAG   7           H3*      KAG   7  -7.339   5.624  19.775
   73   2H2*  KAG   7          2H2*      KAG   7  -6.289   3.141  20.188
   74   1H2*  KAG   7          1H2*      KAG   7  -5.234   4.570  19.974
   75    H1*  KAG   7           H1*      KAG   7  -6.059   2.487  17.936
   76    H8   KAG   7           H8       KAG   7  -3.096   4.997  18.203
   77    H1   KAG   7           H1       KAG   7  -1.490  -1.256  18.096
   78    H2   KAG   7           H2       KAG   7  -3.219  -2.462  18.309
   79    H1M  KAG   7           H1M      KAG   7  -5.956  -1.200  16.808
   80    H2M  KAG   7           H2M      KAG   7  -5.844  -2.968  16.843
   81    H3M  KAG   7           H3M      KAG   7  -7.162  -2.144  17.691
   82    H1A  KAG   7           H1A      KAG   7  -5.636  -1.208  19.312
   83    H2B  KAG   7           H2B      KAG   7  -4.634  -3.186  20.362
   84    H1B  KAG   7           H1B      KAG   7  -4.877  -4.122  18.883
   85    H3G  KAG   7           H3G      KAG   7  -7.202  -2.928  20.578
   86   1H5*    A   8          1H5*        A   8  -8.390   1.236  19.265
   87   2H5*    A   8          2H5*        A   8  -9.803   0.857  20.261
   88    H4*    A   8           H4*        A   8  -8.218  -0.791  20.799
   89    H3*    A   8           H3*        A   8  -8.954   1.008  22.883
   90    H1*    A   8           H1*        A   8  -5.732  -0.729  22.326
   91    H8     A   8           H8         A   8  -4.859   3.048  22.268
   92   1H6     A   8          1H6         A   8   0.923   0.921  21.134
   93   2H6     A   8          2H6         A   8  -0.007   2.395  21.420
   94    H2     A   8           H2         A   8  -1.733  -2.487  21.142
   95   1H2*    A   8          1H2*        A   8  -6.843   2.072  22.853
   96   2H2*    A   8          2H2*        A   8  -6.536   0.796  24.072
   97   1H5*    G   9          1H5*        G   9  -8.740  -3.722  21.980
   98   2H5*    G   9          2H5*        G   9  -9.681  -4.884  22.907
   99    H4*    G   9           H4*        G   9  -7.448  -5.692  22.789
  100    H3*    G   9           H3*        G   9  -8.611  -5.130  25.338
  101    H1*    G   9           H1*        G   9  -4.978  -4.960  24.252
  102    H8     G   9           H8         G   9  -6.299  -1.362  24.996
  103    H1     G   9           H1         G   9   0.103  -1.955  24.421
  104   1H2     G   9          1H2         G   9   0.598  -4.091  24.183
  105   2H2     G   9          2H2         G   9  -0.683  -5.291  24.015
  106   1H2*    G   9          1H2*        G   9  -7.085  -3.446  25.853
  107   2H2*    G   9          2H2*        G   9  -6.083  -4.826  26.386
  108   1H5*    T  10          1H5*        T  10  -4.781  -7.686  24.826
  109   2H5*    T  10          2H5*        T  10  -4.885  -9.169  25.779
  110    H4*    T  10           H4*        T  10  -2.584  -8.427  25.639
  111    H3*    T  10           H3*        T  10  -3.801  -9.051  28.104
  112   1H2*    T  10          1H2*        T  10  -4.086  -6.740  28.666
  113   2H2*    T  10          2H2*        T  10  -2.536  -7.113  29.474
  114    H1*    T  10           H1*        T  10  -1.274  -6.476  27.494
  115    H3     T  10           H3         T  10  -0.472  -2.053  27.729
  116   1H5M    T  10          1H5M        T  10  -4.915  -1.527  29.479
  117   2H5M    T  10          2H5M        T  10  -5.301  -1.408  27.760
  118   3H5M    T  10          3H5M        T  10  -5.789  -2.852  28.679
  119    H6     T  10           H6         T  10  -4.499  -4.677  28.132
  120   1H5*    C  11          1H5*        C  11   1.565 -11.133  28.948
  121   2H5*    C  11          2H5*        C  11   0.338 -10.041  29.608
  122    H4*    C  11           H4*        C  11   2.560  -9.104  27.752
  123    H3*    C  11           H3*        C  11   2.899 -10.005  30.428
  124    H1*    C  11           H1*        C  11   2.851  -6.489  29.127
  125   1H4     C  11          1H4         C  11  -0.849  -1.870  31.095
  126   2H4     C  11          2H4         C  11  -2.215  -2.934  31.448
  127    H5     C  11           H5         C  11  -2.023  -5.364  31.271
  128    H6     C  11           H6         C  11  -0.509  -7.187  30.608
  129   1H2*    C  11          1H2*        C  11   1.730  -8.200  31.385
  130   2H2*    C  11          2H2*        C  11   3.346  -7.434  31.277
  131   1H5*    C  12          1H5*        C  12   6.680  -8.580  32.923
  132   2H5*    C  12          2H5*        C  12   4.930  -8.356  32.747
  133    H4*    C  12           H4*        C  12   6.949  -6.077  32.530
  134    H3*    C  12           H3*        C  12   5.405  -7.198  34.882
  135    H1*    C  12           H1*        C  12   5.190  -3.784  32.993
  136   1H4     C  12          1H4         C  12  -0.760  -2.536  34.422
  137   2H4     C  12          2H4         C  12  -1.271  -4.230  34.336
  138    H5     C  12           H5         C  12   0.335  -6.016  33.904
  139    H6     C  12           H6         C  12   2.708  -6.485  33.504
  140    H3T    C  12           H3T        C  12   7.337  -6.467  35.968
  141   1H2*    C  12          1H2*        C  12   4.775  -5.084  35.569
  142   2H2*    C  12          2H2*        C  12   6.239  -4.310  34.906
  143   1H5*    G  13          1H5*        G  13   0.874   7.903  36.367
  144   2H5*    G  13          2H5*        G  13   1.032   9.138  35.114
  145    H4*    G  13           H4*        G  13   2.448   7.262  34.574
  146    H3*    G  13           H3*        G  13   0.446   8.227  32.769
  147    H1*    G  13           H1*        G  13   1.763   4.797  33.197
  148    H8     G  13           H8         G  13  -2.039   4.459  33.775
  149    H1     G  13           H1         G  13   1.454  -0.928  34.407
  150   1H2     G  13          1H2         G  13   3.602  -0.391  34.278
  151   2H2     G  13          2H2         G  13   4.098   1.303  34.205
  152    H5T    G  13           H5T        G  13  -1.194   8.767  35.769
  153   1H2*    G  13          1H2*        G  13  -0.896   6.307  33.060
  154   2H2*    G  13          2H2*        G  13   0.099   5.744  31.676
  155   1H5*    G  14          1H5*        G  14   5.317   6.109  34.231
  156   2H5*    G  14          2H5*        G  14   6.083   6.922  32.863
  157    H4*    G  14           H4*        G  14   6.911   4.576  33.427
  158    H3*    G  14           H3*        G  14   6.854   5.866  30.983
  159    H1*    G  14           H1*        G  14   5.757   2.252  31.386
  160    H8     G  14           H8         G  14   2.564   4.504  31.053
  161    H1     G  14           H1         G  14   1.671  -1.884  30.795
  162   1H2     G  14          1H2         G  14   3.660  -2.834  30.505
  163   2H2     G  14          2H2         G  14   5.128  -1.874  30.666
  164   1H2*    G  14          1H2*        G  14   4.820   4.902  30.251
  165   2H2*    G  14          2H2*        G  14   5.970   3.726  29.551
  166   1H5*    A  15          1H5*        A  15   9.931   1.756  28.281
  167   2H5*    A  15          2H5*        A  15   8.808   2.863  27.493
  168    H4*    A  15           H4*        A  15   8.546  -0.080  28.026
  169    H3*    A  15           H3*        A  15   8.834   1.551  25.738
  170    H1*    A  15           H1*        A  15   5.879  -0.311  26.687
  171    H8     A  15           H8         A  15   4.604   3.344  27.153
  172   1H6     A  15          1H6         A  15  -0.879   0.371  27.872
  173   2H6     A  15          2H6         A  15  -0.161   1.978  27.735
  174    H2     A  15           H2         A  15   2.209  -2.632  27.649
  175   1H2*    A  15          1H2*        A  15   6.695   2.601  26.176
  176   2H2*    A  15          2H2*        A  15   6.290   1.394  24.915
  177   1H5*    C  16          1H5*        C  16   7.895  -4.149  27.688
  178   2H5*    C  16          2H5*        C  16   8.934  -4.299  26.290
  179    H4*    C  16           H4*        C  16   6.442  -5.106  26.309
  180    H3*    C  16           H3*        C  16   8.137  -4.489  24.106
  181    H1*    C  16           H1*        C  16   4.566  -4.205  24.532
  182   1H4     C  16          1H4         C  16   0.530   0.542  24.308
  183   2H4     C  16          2H4         C  16   1.786   1.771  24.113
  184    H5     C  16           H5         C  16   4.133   1.185  23.953
  185    H6     C  16           H6         C  16   5.723  -0.673  24.176
  186   1H2*    C  16          1H2*        C  16   6.915  -2.431  23.717
  187   2H2*    C  16          2H2*        C  16   6.045  -3.597  22.676
  188   1H5*    T  17          1H5*        T  17   5.579  -8.977  21.701
  189   2H5*    T  17          2H5*        T  17   6.309  -7.380  21.579
  190    H4*    T  17           H4*        T  17   3.350  -8.013  21.947
  191    H3*    T  17           H3*        T  17   5.050  -7.853  19.612
  192   1H2*    T  17          1H2*        T  17   5.138  -5.508  19.739
  193   2H2*    T  17          2H2*        T  17   3.676  -5.711  18.724
  194    H1*    T  17           H1*        T  17   2.269  -5.828  20.746
  195    H3     T  17           H3         T  17   0.849  -1.584  21.106
  196   1H5M    T  17          1H5M        T  17   5.446  -0.180  21.434
  197   2H5M    T  17          2H5M        T  17   6.281  -1.488  20.569
  198   3H5M    T  17          3H5M        T  17   5.303  -0.298  19.677
  199    H6     T  17           H6         T  17   5.235  -3.535  20.660
  200   1H5*    C  18          1H5*        C  18   0.776  -9.263  20.828
  201   2H5*    C  18          2H5*        C  18  -0.202 -10.496  20.032
  202    H4*    C  18           H4*        C  18  -1.493  -8.506  20.244
  203    H3*    C  18           H3*        C  18  -0.872  -9.527  17.580
  204    H1*    C  18           H1*        C  18  -1.896  -6.175  19.002
  205   1H4     C  18          1H4         C  18   1.047  -0.813  17.688
  206   2H4     C  18          2H4         C  18   2.557  -1.602  17.219
  207    H5     C  18           H5         C  18   2.779  -4.025  17.187
  208    H6     C  18           H6         C  18   1.599  -6.131  17.664
  209   1H2*    C  18          1H2*        C  18  -0.222  -7.455  16.802
  210   2H2*    C  18          2H2*        C  18  -1.968  -7.079  16.778
  211   1H5*    G  19          1H5*        G  19  -4.610  -7.100  18.226
  212   2H5*    G  19          2H5*        G  19  -6.055  -7.730  17.427
  213    H4*    G  19           H4*        G  19  -5.968  -5.360  17.133
  214    H3*    G  19           H3*        G  19  -6.043  -7.080  14.859
  215    H1*    G  19           H1*        G  19  -4.660  -3.684  15.294
  216    H8     G  19           H8         G  19  -1.449  -5.859  14.710
  217    H1     G  19           H1         G  19  -0.779   0.566  14.642
  218   1H2     G  19          1H2         G  19  -2.801   1.480  14.873
  219   2H2     G  19          2H2         G  19  -4.207   0.447  15.132
  220   1H2*    G  19          1H2*        G  19  -3.905  -6.373  14.097
  221   2H2*    G  19          2H2*        G  19  -4.901  -5.082  13.346
  222   1H5*    C  20          1H5*        C  20  -9.067  -4.162  11.491
  223   2H5*    C  20          2H5*        C  20  -7.537  -3.708  10.762
  224    H4*    C  20           H4*        C  20  -9.052  -2.297  12.990
  225    H3*    C  20           H3*        C  20  -9.111  -1.927  10.295
  226    H1*    C  20           H1*        C  20  -6.479   0.099  12.340
  227   1H4     C  20          1H4         C  20  -0.445  -1.268  11.314
  228   2H4     C  20          2H4         C  20  -0.736  -3.010  11.234
  229    H5     C  20           H5         C  20  -2.973  -3.943  11.364
  230    H6     C  20           H6         C  20  -5.335  -3.373  11.664
  231   1H2*    C  20          1H2*        C  20  -6.791  -1.724   9.959
  232   2H2*    C  20          2H2*        C  20  -7.186   0.005  10.124
  233   1H5*    T  21          1H5*        T  21  -8.170   2.338  11.502
  234   2H5*    T  21          2H5*        T  21  -9.308   3.447  10.729
  235    H4*    T  21           H4*        T  21  -7.147   4.321  10.365
  236    H3*    T  21           H3*        T  21  -8.686   3.570   8.076
  237   1H2*    T  21          1H2*        T  21  -7.152   1.867   7.481
  238   2H2*    T  21          2H2*        T  21  -6.371   3.240   6.646
  239    H1*    T  21           H1*        T  21  -5.039   3.756   8.615
  240    H3     T  21           H3         T  21  -1.276   1.329   8.221
  241   1H5M    T  21          1H5M        T  21  -4.150  -2.362   6.837
  242   2H5M    T  21          2H5M        T  21  -3.886  -2.672   8.557
  243   3H5M    T  21          3H5M        T  21  -5.485  -2.138   7.991
  244    H6     T  21           H6         T  21  -5.945   0.130   8.181
  245   1H5*    A  22          1H5*        A  22  -5.625   7.225   8.270
  246   2H5*    A  22          2H5*        A  22  -6.073   8.502   7.138
  247    H4*    A  22           H4*        A  22  -3.638   8.387   7.585
  248    H3*    A  22           H3*        A  22  -4.671   8.861   5.072
  249    H1*    A  22           H1*        A  22  -1.853   6.521   5.627
  250    H8     A  22           H8         A  22  -4.969   4.207   5.267
  251   1H6     A  22          1H6         A  22  -0.563  -0.217   4.603
  252   2H6     A  22          2H6         A  22  -2.307   0.044   4.612
  253    H2     A  22           H2         A  22   1.449   3.587   5.101
  254   1H2*    A  22          1H2*        A  22  -4.684   6.497   4.476
  255   2H2*    A  22          2H2*        A  22  -3.186   7.101   3.718
  256   1H5*    G  23          1H5*        G  23  -0.341  11.685   3.405
  257   2H5*    G  23          2H5*        G  23  -1.632  10.502   3.184
  258    H4*    G  23           H4*        G  23   1.309   9.824   3.599
  259    H3*    G  23           H3*        G  23  -0.404  10.365   1.224
  260    H1*    G  23           H1*        G  23   1.616   7.403   2.501
  261    H8     G  23           H8         G  23  -2.179   6.774   1.899
  262    H1     G  23           H1         G  23   1.563   1.542   1.540
  263   1H2     G  23          1H2         G  23   3.669   2.176   1.559
  264   2H2     G  23          2H2         G  23   4.104   3.868   1.822
  265   1H2*    G  23          1H2*        G  23  -0.529   8.278   0.540
  266   2H2*    G  23          2H2*        G  23   1.232   8.209   0.314
  267   1H5*    C  24          1H5*        C  24   5.017   8.263   0.587
  268   2H5*    C  24          2H5*        C  24   5.322   9.352  -0.772
  269    H4*    C  24           H4*        C  24   5.411   6.962  -1.399
  270    H3*    C  24           H3*        C  24   3.213   8.610  -2.660
  271    H1*    C  24           H1*        C  24   3.907   4.858  -1.943
  272   1H4     C  24          1H4         C  24  -1.777   2.315  -1.439
  273   2H4     C  24          2H4         C  24  -2.622   3.867  -1.339
  274    H5     C  24           H5         C  24  -1.414   5.986  -1.451
  275    H6     C  24           H6         C  24   0.828   6.976  -1.615
  276    H3T    C  24           H3T        C  24   4.673   8.382  -4.474
  277   1H2*    C  24          1H2*        C  24   2.325   6.724  -3.626
  278   2H2*    C  24          2H2*        C  24   3.917   5.975  -3.895