*HEADER    DNA                                     17-JUL-06   2HPX              
*TITLE     13MER DUPLEX DNA CONTAINING A 4'-OXIDIZED ABASIC SITE,                
*TITLE    2 AVERAGED STRUCTURE                                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*CP*CP*AP*AP*AP*GP*(X4A)P*AP*CP*CP*GP*GP*G)-          
*COMPND   3 3';                                                                  
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: STRAND CONTAINING 4'-OXIDIZED ABASIC SITE;            
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: 5'-D(*CP*CP*CP*GP*GP*TP*AP*CP*TP*TP*TP*GP*G)-3';           
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 ENGINEERED: YES;                                                     
*COMPND  11 OTHER_DETAILS: TEMPLATE STRAND                                       
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 MOL_ID: 2;                                                           
*SOURCE   4 SYNTHETIC: YES                                                       
*KEYWDS    ABASIC SITE, DNA DAMAGE, BLEOMYCIN, NMR, MOLECULAR DYNAMICS           
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    J.CHEN, F.Y.DUPRADEAU, D.A.CASE, C.J.TURNER, J.STUBBE                 
*REVDAT   1   29-MAY-07 2HPX    0                                                


# 811 atoms read from pdb file GXAC_ox_ab_amber.pdb.
# 1 CYT NU7:  (1 DC5 H1')-(1 DC5 C1')-(1 DC5 C2')-(1 DC5 H2'1) 125.0 175.0
 &rst     iat =    10,     9,    25,    26,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
   rk2 =   200.0, rk3 =  200.0,    /
# 2 CYT NU7:  (2 DC H1')-(2 DC C1')-(2 DC C2')-(2 DC H2'1) 125.0 175.0
 &rst     iat =    40,    39,    55,    56,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /
# 8 ADE NU7:  (8 DA H1')-(8 DA C1')-(8 DA C2')-(8 DA H2'1) 125.0 175.0
 &rst     iat =   220,   219,   237,   238,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /
# 11 GUA NU7:  (11 DG H1')-(11 DG C1')-(11 DG C2')-(11 DG H2'1) 125.0 175.0
 &rst     iat =   312,   311,   330,   331,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /
# 12 GUA NU7:  (12 DG H1')-(12 DG C1')-(12 DG C2')-(12 DG H2'1) 125.0 175.0
 &rst     iat =   345,   344,   363,   364,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /
# 13 GUA NU7:  (13 DG3 H1')-(13 DG3 C1')-(13 DG3 C2')-(13 DG3 H2'1) 125.0 175.0
 &rst     iat =   378,   377,   396,   397,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /
# 17 GUA NU7:  (17 DG H1')-(17 DG C1')-(17 DG C2')-(17 DG H2'1) 125.0 175.0
 &rst     iat =   500,   499,   518,   519,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /
# 18 GUA NU7:  (18 DG H1')-(18 DG C1')-(18 DG C2')-(18 DG H2'1) 125.0 175.0
 &rst     iat =   533,   532,   551,   552,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /
# 24 THY NU7:  (24 DT H1')-(24 DT C1')-(24 DT C2')-(24 DT H2'1) 125.0 175.0
 &rst     iat =   724,   723,   741,   742,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /
# 25 GUA NU7:  (25 DG H1')-(25 DG C1')-(25 DG C2')-(25 DG H2'1) 125.0 175.0
 &rst     iat =   756,   755,   774,   775,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /
# 26 GUA NU7:  (26 DG3 H1')-(26 DG3 C1')-(26 DG3 C2')-(26 DG3 H2'1) 125.0 175.0
 &rst     iat =   789,   788,   807,   808,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /
# 1 CYT NU9:  (1 DC5 H1')-(1 DC5 C1')-(1 DC5 C2')-(1 DC5 H2'2)  20.0  40.0
 &rst     iat =    10,     9,    25,    27,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /
# 2 CYT NU9:  (2 DC H1')-(2 DC C1')-(2 DC C2')-(2 DC H2'2)  20.0  40.0
 &rst     iat =    40,    39,    55,    57,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /
# 8 ADE NU9:  (8 DA H1')-(8 DA C1')-(8 DA C2')-(8 DA H2'2)  20.0  40.0
 &rst     iat =   220,   219,   237,   239,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /
# 12 GUA NU9:  (12 DG H1')-(12 DG C1')-(12 DG C2')-(12 DG H2'2)  20.0  40.0
 &rst     iat =   345,   344,   363,   365,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /
# 13 GUA NU9:  (13 DG3 H1')-(13 DG3 C1')-(13 DG3 C2')-(13 DG3 H2'2)  20.0  40.0
 &rst     iat =   378,   377,   396,   398,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /
# 17 GUA NU9:  (17 DG H1')-(17 DG C1')-(17 DG C2')-(17 DG H2'2)  20.0  40.0
 &rst     iat =   500,   499,   518,   520,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /
# 18 GUA NU9:  (18 DG H1')-(18 DG C1')-(18 DG C2')-(18 DG H2'2)  20.0  40.0
 &rst     iat =   533,   532,   551,   553,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /
#
# 1 CYT H42 26 GUA O6 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 796, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=0.0, rk3=50.0, ir6=1, ialtd=0,
 /
#
# 1 CYT N3 26 GUA H1 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  20, 798, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 1 CYT N3 26 GUA N1 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  20, 797, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 1 CYT N4 26 GUA O6 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 796, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 1 CYT O2 26 GUA H22 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  22, 802, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 2 CYT H42 25 GUA O6 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 763, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 2 CYT N3 25 GUA H1 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 765, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 2 CYT N3 25 GUA N1 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 764, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 2 CYT N4 25 GUA O6 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  47, 763, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 2 CYT O2 25 GUA H22 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 769, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 3 ADE H61 24 THY O4 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 734, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 3 ADE N1 24 THY H3 1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 736, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  /
#
# 3 ADE N1 24 THY N3 2.72 2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 735, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  /
#
# 4 ADE H61 23 THY O4 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 702, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 4 ADE N1 23 THY H3 1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 704, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  /
#
# 4 ADE N1 23 THY N3 2.72 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 703, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  /
#
# 5 ADE H61 22 THY O4 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 670, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 5 ADE N1 22 THY H3 1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 672, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  /
#
# 5 ADE N1 22 THY N3 2.72 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 671, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  /
#
# 6 GUA H1 21 CYT N3 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 640, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 6 GUA H22 21 CYT O2 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 642, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 6 GUA N1 21 CYT N3 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 640, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 6 GUA O6 21 CYT H42 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 639, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 6 GUA O6 21 CYT N4 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 637, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 8 ADE H61 19 THY O4 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 576, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 8 ADE N1 19 THY H3 1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 578, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  /
#
# 8 ADE N1 19 THY N3 2.72 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 577, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  /
#
# 9 CYT H42 18 GUA O6 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 540, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 9 CYT N3 18 GUA H1 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 542, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 9 CYT N3 18 GUA N1 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 541, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 9 CYT N4 18 GUA O6 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 540, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 9 CYT O2 18 GUA H22 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 546, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 10 CYT H42 17 GUA O6 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 507, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 10 CYT N3 17 GUA H1 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 509, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 10 CYT N3 17 GUA N1 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 508, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 10 CYT N4 17 GUA O6 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 507, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 10 CYT O2 17 GUA H22 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 513, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 11 GUA H1 16 CYT N3 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 480, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 11 GUA H22 16 CYT O2 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 482, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 11 GUA N1 16 CYT N3 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 480, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 11 GUA O6 16 CYT H42 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 479, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 11 GUA O6 16 CYT N4 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 477, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 12 GUA H1 15 CYT N3 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 450, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 12 GUA H22 15 CYT O2 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 452, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 12 GUA N1 15 CYT N3 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 450, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 12 GUA O6 15 CYT H42 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 449, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 12 GUA O6 15 CYT N4 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 447, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 13 GUA H1 14 CYT N3 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 420, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 13 GUA H22 14 CYT O2 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 422, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 13 GUA N1 14 CYT N3 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 420, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 13 GUA O6 14 CYT H42 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 419, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 13 GUA O6 14 CYT N4 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 417, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
#  chirality for residue 1 atoms:  C2' O4' N1 H1'
 &rst iat=25,8,11,10, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  /
#
#  chirality for residue 1 atoms:  C3' C1' H2'1 H2'2
 &rst iat=23,9,26,27, /
#
#  chirality for residue 1 atoms:  O3' C2' C4' H3'
 &rst iat=28,25,6,24, /
#
#  chirality for residue 1 atoms:  C3' C5' O4' H4'
 &rst iat=23,3,8,7, /
#
#  chirality for residue 1 atoms:  C4' O5' H5'1 H5'2
 &rst iat=6,2,4,5, /
#
#  chirality for residue 2 atoms:  C2' O4' N1 H1'
 &rst iat=55,38,41,40, /
#
#  chirality for residue 2 atoms:  C3' C1' H2'1 H2'2
 &rst iat=53,39,56,57, /
#
#  chirality for residue 2 atoms:  O3' C2' C4' H3'
 &rst iat=58,55,36,54, /
#
#  chirality for residue 2 atoms:  C3' C5' O4' H4'
 &rst iat=53,33,38,37, /
#
#  chirality for residue 2 atoms:  C4' O5' H5'1 H5'2
 &rst iat=36,32,34,35, /
#
#  chirality for residue 3 atoms:  C2' O4' N9 H1'
 &rst iat=87,68,71,70, /
#
#  chirality for residue 3 atoms:  C3' C1' H2'1 H2'2
 &rst iat=85,69,88,89, /
#
#  chirality for residue 3 atoms:  O3' C2' C4' H3'
 &rst iat=90,87,66,86, /
#
#  chirality for residue 3 atoms:  C3' C5' O4' H4'
 &rst iat=85,63,68,67, /
#
#  chirality for residue 3 atoms:  C4' O5' H5'1 H5'2
 &rst iat=66,62,64,65, /
#
#  chirality for residue 4 atoms:  C2' O4' N9 H1'
 &rst iat=119,100,103,102, /
#
#  chirality for residue 4 atoms:  C3' C1' H2'1 H2'2
 &rst iat=117,101,120,121, /
#
#  chirality for residue 4 atoms:  O3' C2' C4' H3'
 &rst iat=122,119,98,118, /
#
#  chirality for residue 4 atoms:  C3' C5' O4' H4'
 &rst iat=117,95,100,99, /
#
#  chirality for residue 4 atoms:  C4' O5' H5'1 H5'2
 &rst iat=98,94,96,97, /
#
#  chirality for residue 5 atoms:  C2' O4' N9 H1'
 &rst iat=151,132,135,134, /
#
#  chirality for residue 5 atoms:  C3' C1' H2'1 H2'2
 &rst iat=149,133,152,153, /
#
#  chirality for residue 5 atoms:  O3' C2' C4' H3'
 &rst iat=154,151,130,150, /
#
#  chirality for residue 5 atoms:  C3' C5' O4' H4'
 &rst iat=149,127,132,131, /
#
#  chirality for residue 5 atoms:  C4' O5' H5'1 H5'2
 &rst iat=130,126,128,129, /
#
#  chirality for residue 6 atoms:  C2' O4' N9 H1'
 &rst iat=184,164,167,166, /
#
#  chirality for residue 6 atoms:  C3' C1' H2'1 H2'2
 &rst iat=182,165,185,186, /
#
#  chirality for residue 6 atoms:  O3' C2' C4' H3'
 &rst iat=187,184,162,183, /
#
#  chirality for residue 6 atoms:  C3' C5' O4' H4'
 &rst iat=182,159,164,163, /
#
#  chirality for residue 6 atoms:  C4' O5' H5'1 H5'2
 &rst iat=162,158,160,161, /
#
#  chirality for residue 8 atoms:  C2' O4' N9 H1'
 &rst iat=237,218,221,220, /
#
#  chirality for residue 8 atoms:  C3' C1' H2'1 H2'2
 &rst iat=235,219,238,239, /
#
#  chirality for residue 8 atoms:  O3' C2' C4' H3'
 &rst iat=240,237,216,236, /
#
#  chirality for residue 8 atoms:  C3' C5' O4' H4'
 &rst iat=235,213,218,217, /
#
#  chirality for residue 8 atoms:  C4' O5' H5'1 H5'2
 &rst iat=216,212,214,215, /
#
#  chirality for residue 9 atoms:  C2' O4' N1 H1'
 &rst iat=267,250,253,252, /
#
#  chirality for residue 9 atoms:  C3' C1' H2'1 H2'2
 &rst iat=265,251,268,269, /
#
#  chirality for residue 9 atoms:  O3' C2' C4' H3'
 &rst iat=270,267,248,266, /
#
#  chirality for residue 9 atoms:  C3' C5' O4' H4'
 &rst iat=265,245,250,249, /
#
#  chirality for residue 9 atoms:  C4' O5' H5'1 H5'2
 &rst iat=248,244,246,247, /
#
#  chirality for residue 10 atoms:  C2' O4' N1 H1'
 &rst iat=297,280,283,282, /
#
#  chirality for residue 10 atoms:  C3' C1' H2'1 H2'2
 &rst iat=295,281,298,299, /
#
#  chirality for residue 10 atoms:  O3' C2' C4' H3'
 &rst iat=300,297,278,296, /
#
#  chirality for residue 10 atoms:  C3' C5' O4' H4'
 &rst iat=295,275,280,279, /
#
#  chirality for residue 10 atoms:  C4' O5' H5'1 H5'2
 &rst iat=278,274,276,277, /
#
#  chirality for residue 11 atoms:  C2' O4' N9 H1'
 &rst iat=330,310,313,312, /
#
#  chirality for residue 11 atoms:  C3' C1' H2'1 H2'2
 &rst iat=328,311,331,332, /
#
#  chirality for residue 11 atoms:  O3' C2' C4' H3'
 &rst iat=333,330,308,329, /
#
#  chirality for residue 11 atoms:  C3' C5' O4' H4'
 &rst iat=328,305,310,309, /
#
#  chirality for residue 11 atoms:  C4' O5' H5'1 H5'2
 &rst iat=308,304,306,307, /
#
#  chirality for residue 12 atoms:  C2' O4' N9 H1'
 &rst iat=363,343,346,345, /
#
#  chirality for residue 12 atoms:  C3' C1' H2'1 H2'2
 &rst iat=361,344,364,365, /
#
#  chirality for residue 12 atoms:  O3' C2' C4' H3'
 &rst iat=366,363,341,362, /
#
#  chirality for residue 12 atoms:  C3' C5' O4' H4'
 &rst iat=361,338,343,342, /
#
#  chirality for residue 12 atoms:  C4' O5' H5'1 H5'2
 &rst iat=341,337,339,340, /
#
#  chirality for residue 13 atoms:  C2' O4' N9 H1'
 &rst iat=396,376,379,378, /
#
#  chirality for residue 13 atoms:  C3' C1' H2'1 H2'2
 &rst iat=394,377,397,398, /
#
#  chirality for residue 13 atoms:  O3' C2' C4' H3'
 &rst iat=399,396,374,395, /
#
#  chirality for residue 13 atoms:  C3' C5' O4' H4'
 &rst iat=394,371,376,375, /
#
#  chirality for residue 13 atoms:  C4' O5' H5'1 H5'2
 &rst iat=374,370,372,373, /
#
#  chirality for residue 14 atoms:  C2' O4' N1 H1'
 &rst iat=425,408,411,410, /
#
#  chirality for residue 14 atoms:  C3' C1' H2'1 H2'2
 &rst iat=423,409,426,427, /
#
#  chirality for residue 14 atoms:  O3' C2' C4' H3'
 &rst iat=428,425,406,424, /
#
#  chirality for residue 14 atoms:  C3' C5' O4' H4'
 &rst iat=423,403,408,407, /
#
#  chirality for residue 14 atoms:  C4' O5' H5'1 H5'2
 &rst iat=406,402,404,405, /
#
#  chirality for residue 15 atoms:  C2' O4' N1 H1'
 &rst iat=455,438,441,440, /
#
#  chirality for residue 15 atoms:  C3' C1' H2'1 H2'2
 &rst iat=453,439,456,457, /
#
#  chirality for residue 15 atoms:  O3' C2' C4' H3'
 &rst iat=458,455,436,454, /
#
#  chirality for residue 15 atoms:  C3' C5' O4' H4'
 &rst iat=453,433,438,437, /
#
#  chirality for residue 15 atoms:  C4' O5' H5'1 H5'2
 &rst iat=436,432,434,435, /
#
#  chirality for residue 16 atoms:  C2' O4' N1 H1'
 &rst iat=485,468,471,470, /
#
#  chirality for residue 16 atoms:  C3' C1' H2'1 H2'2
 &rst iat=483,469,486,487, /
#
#  chirality for residue 16 atoms:  O3' C2' C4' H3'
 &rst iat=488,485,466,484, /
#
#  chirality for residue 16 atoms:  C3' C5' O4' H4'
 &rst iat=483,463,468,467, /
#
#  chirality for residue 16 atoms:  C4' O5' H5'1 H5'2
 &rst iat=466,462,464,465, /
#
#  chirality for residue 17 atoms:  C2' O4' N9 H1'
 &rst iat=518,498,501,500, /
#
#  chirality for residue 17 atoms:  C3' C1' H2'1 H2'2
 &rst iat=516,499,519,520, /
#
#  chirality for residue 17 atoms:  O3' C2' C4' H3'
 &rst iat=521,518,496,517, /
#
#  chirality for residue 17 atoms:  C3' C5' O4' H4'
 &rst iat=516,493,498,497, /
#
#  chirality for residue 17 atoms:  C4' O5' H5'1 H5'2
 &rst iat=496,492,494,495, /
#
#  chirality for residue 18 atoms:  C2' O4' N9 H1'
 &rst iat=551,531,534,533, /
#
#  chirality for residue 18 atoms:  C3' C1' H2'1 H2'2
 &rst iat=549,532,552,553, /
#
#  chirality for residue 18 atoms:  O3' C2' C4' H3'
 &rst iat=554,551,529,550, /
#
#  chirality for residue 18 atoms:  C3' C5' O4' H4'
 &rst iat=549,526,531,530, /
#
#  chirality for residue 18 atoms:  C4' O5' H5'1 H5'2
 &rst iat=529,525,527,528, /
#
#  chirality for residue 19 atoms:  C2' O4' N1 H1'
 &rst iat=583,564,567,566, /
#
#  chirality for residue 19 atoms:  C3' C1' H2'1 H2'2
 &rst iat=581,565,584,585, /
#
#  chirality for residue 19 atoms:  O3' C2' C4' H3'
 &rst iat=586,583,562,582, /
#
#  chirality for residue 19 atoms:  C3' C5' O4' H4'
 &rst iat=581,559,564,563, /
#
#  chirality for residue 19 atoms:  C4' O5' H5'1 H5'2
 &rst iat=562,558,560,561, /
#
#  chirality for residue 20 atoms:  C2' O4' N9 H1'
 &rst iat=615,596,599,598, /
#
#  chirality for residue 20 atoms:  C3' C1' H2'1 H2'2
 &rst iat=613,597,616,617, /
#
#  chirality for residue 20 atoms:  O3' C2' C4' H3'
 &rst iat=618,615,594,614, /
#
#  chirality for residue 20 atoms:  C3' C5' O4' H4'
 &rst iat=613,591,596,595, /
#
#  chirality for residue 20 atoms:  C4' O5' H5'1 H5'2
 &rst iat=594,590,592,593, /
#
#  chirality for residue 21 atoms:  C2' O4' N1 H1'
 &rst iat=645,628,631,630, /
#
#  chirality for residue 21 atoms:  C3' C1' H2'1 H2'2
 &rst iat=643,629,646,647, /
#
#  chirality for residue 21 atoms:  O3' C2' C4' H3'
 &rst iat=648,645,626,644, /
#
#  chirality for residue 21 atoms:  C3' C5' O4' H4'
 &rst iat=643,623,628,627, /
#
#  chirality for residue 21 atoms:  C4' O5' H5'1 H5'2
 &rst iat=626,622,624,625, /
#
#  chirality for residue 22 atoms:  C2' O4' N1 H1'
 &rst iat=677,658,661,660, /
#
#  chirality for residue 22 atoms:  C3' C1' H2'1 H2'2
 &rst iat=675,659,678,679, /
#
#  chirality for residue 22 atoms:  O3' C2' C4' H3'
 &rst iat=680,677,656,676, /
#
#  chirality for residue 22 atoms:  C3' C5' O4' H4'
 &rst iat=675,653,658,657, /
#
#  chirality for residue 22 atoms:  C4' O5' H5'1 H5'2
 &rst iat=656,652,654,655, /
#
#  chirality for residue 23 atoms:  C2' O4' N1 H1'
 &rst iat=709,690,693,692, /
#
#  chirality for residue 23 atoms:  C3' C1' H2'1 H2'2
 &rst iat=707,691,710,711, /
#
#  chirality for residue 23 atoms:  O3' C2' C4' H3'
 &rst iat=712,709,688,708, /
#
#  chirality for residue 23 atoms:  C3' C5' O4' H4'
 &rst iat=707,685,690,689, /
#
#  chirality for residue 23 atoms:  C4' O5' H5'1 H5'2
 &rst iat=688,684,686,687, /
#
#  chirality for residue 24 atoms:  C2' O4' N1 H1'
 &rst iat=741,722,725,724, /
#
#  chirality for residue 24 atoms:  C3' C1' H2'1 H2'2
 &rst iat=739,723,742,743, /
#
#  chirality for residue 24 atoms:  O3' C2' C4' H3'
 &rst iat=744,741,720,740, /
#
#  chirality for residue 24 atoms:  C3' C5' O4' H4'
 &rst iat=739,717,722,721, /
#
#  chirality for residue 24 atoms:  C4' O5' H5'1 H5'2
 &rst iat=720,716,718,719, /
#
#  chirality for residue 25 atoms:  C2' O4' N9 H1'
 &rst iat=774,754,757,756, /
#
#  chirality for residue 25 atoms:  C3' C1' H2'1 H2'2
 &rst iat=772,755,775,776, /
#
#  chirality for residue 25 atoms:  O3' C2' C4' H3'
 &rst iat=777,774,752,773, /
#
#  chirality for residue 25 atoms:  C3' C5' O4' H4'
 &rst iat=772,749,754,753, /
#
#  chirality for residue 25 atoms:  C4' O5' H5'1 H5'2
 &rst iat=752,748,750,751, /
#
#  chirality for residue 26 atoms:  C2' O4' N9 H1'
 &rst iat=807,787,790,789, /
#
#  chirality for residue 26 atoms:  C3' C1' H2'1 H2'2
 &rst iat=805,788,808,809, /
#
#  chirality for residue 26 atoms:  O3' C2' C4' H3'
 &rst iat=810,807,785,806, /
#
#  chirality for residue 26 atoms:  C3' C5' O4' H4'
 &rst iat=805,782,787,786, /
#
#  chirality for residue 26 atoms:  C4' O5' H5'1 H5'2
 &rst iat=785,781,783,784, /
# 811 atoms read from pdb file GXAC_ox_ab_amber.pdb.
# 2 CYT BETA:  (2 DC P)-(2 DC O5')-(2 DC C5')-(2 DC C4') -175.0 -115.0
 &rst     iat =    29,    32,    33,    36,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
   rk2 =   200.0, rk3 =   200.0,    
        /
# 2 CYT EPSLN:  (2 DC C4')-(2 DC C3')-(2 DC O3')-(3 DA P) 125.0 180.0
 &rst     iat =    36,    53,    58,    59,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 2 CYT GAMMA:  (2 DC O5')-(2 DC C5')-(2 DC C4')-(2 DC C3')  25.0  55.0
 &rst     iat =    32,    33,    36,    53,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 3 ADE BETA:  (3 DA P)-(3 DA O5')-(3 DA C5')-(3 DA C4') -175.0 -115.0
 &rst     iat =    59,    62,    63,    66,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 3 ADE EPSLN:  (3 DA C4')-(3 DA C3')-(3 DA O3')-(4 DA P) 125.0 180.0
 &rst     iat =    66,    85,    90,    91,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 3 ADE GAMMA:  (3 DA O5')-(3 DA C5')-(3 DA C4')-(3 DA C3')  25.0  55.0
 &rst     iat =    62,    63,    66,    85,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 4 ADE BETA:  (4 DA P)-(4 DA O5')-(4 DA C5')-(4 DA C4') -175.0 -115.0
 &rst     iat =    91,    94,    95,    98,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 4 ADE EPSLN:  (4 DA C4')-(4 DA C3')-(4 DA O3')-(5 DA P) 125.0 180.0
 &rst     iat =    98,   117,   122,   123,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 4 ADE GAMMA:  (4 DA O5')-(4 DA C5')-(4 DA C4')-(4 DA C3')  25.0  65.0
 &rst     iat =    94,    95,    98,   117,
   r1 =  24.0, r2 =  25.0, r3 =  65.0, r4 =  66.0,
 /
# 5 ADE BETA:  (5 DA P)-(5 DA O5')-(5 DA C5')-(5 DA C4') -175.0 -115.0
 &rst     iat =   123,   126,   127,   130,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 5 ADE EPSLN:  (5 DA C4')-(5 DA C3')-(5 DA O3')-(6 DG P) 125.0 180.0
 &rst     iat =   130,   149,   154,   155,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 5 ADE GAMMA:  (5 DA O5')-(5 DA C5')-(5 DA C4')-(5 DA C3')  25.0  55.0
 &rst     iat =   126,   127,   130,   149,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 6 GUA BETA:  (6 DG P)-(6 DG O5')-(6 DG C5')-(6 DG C4') -175.0 -115.0
 &rst     iat =   155,   158,   159,   162,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 6 GUA EPSLN:  (6 DG C4')-(6 DG C3')-(6 DG O3')-(7 X4A P) 140.0 300.0
 &rst     iat =   162,   182,   187,   188,
   r1 = 139.0, r2 = 140.0, r3 = 300.0, r4 = 301.0,
 /
# 6 GUA GAMMA:  (6 DG O5')-(6 DG C5')-(6 DG C4')-(6 DG C3')  25.0  55.0
 &rst     iat =   158,   159,   162,   182,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 8 ADE GAMMA:  (8 DA O5')-(8 DA C5')-(8 DA C4')-(8 DA C3')  25.0  55.0
 &rst     iat =   212,   213,   216,   235,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 8 ADE BETA:  (8 DA P)-(8 DA O5')-(8 DA C5')-(8 DA C4') -175.0 -115.0
 &rst     iat =   209,   212,   213,   216,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 8 ADE EPSLN:  (8 DA C4')-(8 DA C3')-(8 DA O3')-(9 DC P) 125.0 180.0
 &rst     iat =   216,   235,   240,   241,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 9 CYT BETA:  (9 DC P)-(9 DC O5')-(9 DC C5')-(9 DC C4') -175.0 -115.0
 &rst     iat =   241,   244,   245,   248,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 9 CYT EPSLN:  (9 DC C4')-(9 DC C3')-(9 DC O3')-(10 DC P) 125.0 180.0
 &rst     iat =   248,   265,   270,   271,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 9 CYT GAMMA:  (9 DC O5')-(9 DC C5')-(9 DC C4')-(9 DC C3')  25.0  55.0
 &rst     iat =   244,   245,   248,   265,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 10 CYT BETA:  (10 DC P)-(10 DC O5')-(10 DC C5')-(10 DC C4') -175.0 -115.0
 &rst     iat =   271,   274,   275,   278,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 10 CYT EPSLN:  (10 DC C4')-(10 DC C3')-(10 DC O3')-(11 DG P) 125.0 180.0
 &rst     iat =   278,   295,   300,   301,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 10 CYT GAMMA:  (10 DC O5')-(10 DC C5')-(10 DC C4')-(10 DC C3')  25.0  55.0
 &rst     iat =   274,   275,   278,   295,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 11 GUA BETA:  (11 DG P)-(11 DG O5')-(11 DG C5')-(11 DG C4') -175.0 -115.0
 &rst     iat =   301,   304,   305,   308,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 11 GUA EPSLN:  (11 DG C4')-(11 DG C3')-(11 DG O3')-(12 DG P) 125.0 180.0
 &rst     iat =   308,   328,   333,   334,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 11 GUA GAMMA:  (11 DG O5')-(11 DG C5')-(11 DG C4')-(11 DG C3')  25.0  55.0
 &rst     iat =   304,   305,   308,   328,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 12 GUA BETA:  (12 DG P)-(12 DG O5')-(12 DG C5')-(12 DG C4') -175.0 -115.0
 &rst     iat =   334,   337,   338,   341,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 12 GUA EPSLN:  (12 DG C4')-(12 DG C3')-(12 DG O3')-(13 DG3 P) 125.0 180.0
 &rst     iat =   341,   361,   366,   367,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 12 GUA GAMMA:  (12 DG O5')-(12 DG C5')-(12 DG C4')-(12 DG C3')  25.0  55.0
 &rst     iat =   337,   338,   341,   361,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 13 GUA BETA:  (13 DG3 P)-(13 DG3 O5')-(13 DG3 C5')-(13 DG3 C4') -175.0 -115.0
 &rst     iat =   367,   370,   371,   374,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 14 CYT EPSLN:  (14 DC5 C4')-(14 DC5 C3')-(14 DC5 O3')-(15 DC P) 125.0 180.0
 &rst     iat =   406,   423,   428,   429,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 14 CYT GAMMA:  (14 DC5 O5')-(14 DC5 C5')-(14 DC5 C4')-(14 DC5 C3')  25.0  55.0
 &rst     iat =   402,   403,   406,   423,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 15 CYT BETA:  (15 DC P)-(15 DC O5')-(15 DC C5')-(15 DC C4') -175.0 -115.0
 &rst     iat =   429,   432,   433,   436,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 15 CYT EPSLN:  (15 DC C4')-(15 DC C3')-(15 DC O3')-(16 DC P) 125.0 180.0
 &rst     iat =   436,   453,   458,   459,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 15 CYT GAMMA:  (15 DC O5')-(15 DC C5')-(15 DC C4')-(15 DC C3')  25.0  55.0
 &rst     iat =   432,   433,   436,   453,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 16 CYT BETA:  (16 DC P)-(16 DC O5')-(16 DC C5')-(16 DC C4') -175.0 -115.0
 &rst     iat =   459,   462,   463,   466,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 16 CYT EPSLN:  (16 DC C4')-(16 DC C3')-(16 DC O3')-(17 DG P) 125.0 180.0
 &rst     iat =   466,   483,   488,   489,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 16 CYT GAMMA:  (16 DC O5')-(16 DC C5')-(16 DC C4')-(16 DC C3')  25.0  55.0
 &rst     iat =   462,   463,   466,   483,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 17 GUA BETA:  (17 DG P)-(17 DG O5')-(17 DG C5')-(17 DG C4') -175.0 -115.0
 &rst     iat =   489,   492,   493,   496,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 17 GUA EPSLN:  (17 DG C4')-(17 DG C3')-(17 DG O3')-(18 DG P) 125.0 180.0
 &rst     iat =   496,   516,   521,   522,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 17 GUA GAMMA:  (17 DG O5')-(17 DG C5')-(17 DG C4')-(17 DG C3')  25.0  55.0
 &rst     iat =   492,   493,   496,   516,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 18 GUA BETA:  (18 DG P)-(18 DG O5')-(18 DG C5')-(18 DG C4') -175.0 -115.0
 &rst     iat =   522,   525,   526,   529,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 18 GUA EPSLN:  (18 DG C4')-(18 DG C3')-(18 DG O3')-(19 DT P) 125.0 180.0
 &rst     iat =   529,   549,   554,   555,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 18 GUA GAMMA:  (18 DG O5')-(18 DG C5')-(18 DG C4')-(18 DG C3')  25.0  55.0
 &rst     iat =   525,   526,   529,   549,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 19 THY BETA:  (19 DT P)-(19 DT O5')-(19 DT C5')-(19 DT C4') -175.0 -115.0
 &rst     iat =   555,   558,   559,   562,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 19 THY EPSLN:  (19 DT C4')-(19 DT C3')-(19 DT O3')-(20 DA P) 125.0 180.0
 &rst     iat =   562,   581,   586,   587,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 19 THY GAMMA:  (19 DT O5')-(19 DT C5')-(19 DT C4')-(19 DT C3')  25.0  55.0
 &rst     iat =   558,   559,   562,   581,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 20 ADE BETA:  (20 DA P)-(20 DA O5')-(20 DA C5')-(20 DA C4') -175.0 -115.0
 &rst     iat =   587,   590,   591,   594,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 20 ADE EPSLN:  (20 DA C4')-(20 DA C3')-(20 DA O3')-(21 DC P) 125.0 180.0
 &rst     iat =   594,   613,   618,   619,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 20 ADE GAMMA:  (20 DA O5')-(20 DA C5')-(20 DA C4')-(20 DA C3')  25.0  55.0
 &rst     iat =   590,   591,   594,   613,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 21 CYT BETA:  (21 DC P)-(21 DC O5')-(21 DC C5')-(21 DC C4') -175.0 -115.0
 &rst     iat =   619,   622,   623,   626,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 21 CYT EPSLN:  (21 DC C4')-(21 DC C3')-(21 DC O3')-(22 DT P) 125.0 180.0
 &rst     iat =   626,   643,   648,   649,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 21 CYT GAMMA:  (21 DC O5')-(21 DC C5')-(21 DC C4')-(21 DC C3')  25.0  55.0
 &rst     iat =   622,   623,   626,   643,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 22 THY BETA:  (22 DT P)-(22 DT O5')-(22 DT C5')-(22 DT C4') -175.0 -115.0
 &rst     iat =   649,   652,   653,   656,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 22 THY EPSLN:  (22 DT C4')-(22 DT C3')-(22 DT O3')-(23 DT P) 125.0 180.0
 &rst     iat =   656,   675,   680,   681,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 22 THY GAMMA:  (22 DT O5')-(22 DT C5')-(22 DT C4')-(22 DT C3')  25.0  55.0
 &rst     iat =   652,   653,   656,   675,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 23 THY BETA:  (23 DT P)-(23 DT O5')-(23 DT C5')-(23 DT C4') -175.0 -115.0
 &rst     iat =   681,   684,   685,   688,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 23 THY EPSLN:  (23 DT C4')-(23 DT C3')-(23 DT O3')-(24 DT P) 125.0 180.0
 &rst     iat =   688,   707,   712,   713,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 23 THY GAMMA:  (23 DT O5')-(23 DT C5')-(23 DT C4')-(23 DT C3')  25.0  55.0
 &rst     iat =   684,   685,   688,   707,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 24 THY BETA:  (24 DT P)-(24 DT O5')-(24 DT C5')-(24 DT C4') -175.0 -115.0
 &rst     iat =   713,   716,   717,   720,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 24 THY EPSLN:  (24 DT C4')-(24 DT C3')-(24 DT O3')-(25 DG P) 125.0 180.0
 &rst     iat =   720,   739,   744,   745,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /
# 24 THY GAMMA:  (24 DT O5')-(24 DT C5')-(24 DT C4')-(24 DT C3')  25.0  55.0
 &rst     iat =   716,   717,   720,   739,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 25 GUA BETA:  (25 DG P)-(25 DG O5')-(25 DG C5')-(25 DG C4') -175.0 -115.0
 &rst     iat =   745,   748,   749,   752,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# 25 GUA GAMMA:  (25 DG O5')-(25 DG C5')-(25 DG C4')-(25 DG C3')  25.0  55.0
 &rst     iat =   748,   749,   752,   772,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /
# 26 GUA BETA:  (26 DG3 P)-(26 DG3 O5')-(26 DG3 C5')-(26 DG3 C4') -175.0 -115.0
 &rst     iat =   778,   781,   782,   785,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
# Distance restraints form NOE
# 1  CYT  H6  1  CYT  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  10, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00, 
      rk2=0.0, rk3=50.0, ir6=1, ialtd=0,
 /
#
# 1  CYT  H6  1  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  26, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1  CYT  H6  1  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  27, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1  CYT  H6  1  CYT  H5  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  15, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1  CYT  H1'  2  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  43, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1  CYT  H2'1  2  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  43, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1  CYT  H2'2  2  CYT  H6  2.5  4.5

 &rst
  ixpk= 0, nxpk= 0, iat=  27,  43, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2  CYT  H6  2  CYT  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  40, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2  CYT  H6  2  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  56, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2  CYT  H6  2  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  57, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2  CYT  H1'  3  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  73, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2  CYT  H2'1  3  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  73, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2  CYT  H2'2  3  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  73, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3  ADE  H8  3  ADE  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  70, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3  ADE  H8  3  ADE  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  88, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3  ADE  H8  3  ADE  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  89, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3  ADE  H1'  4  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  70, 105, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3  ADE  H2'1  4  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 105, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3  ADE  H2'2  4  ADE  H8  2.5  4.5

 &rst
  ixpk= 0, nxpk= 0, iat=  89, 105, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4  ADE  H8  4  ADE  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 102, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4  ADE  H8  4  ADE  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 120, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4  ADE  H8  4  ADE  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 121, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4  ADE  H1'  5  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 137, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4  ADE  H2'1  5  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 137, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4  ADE  H2'2  5  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 137, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5  ADE  H8  5  ADE  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 134, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5  ADE  H8  5  ADE  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 152, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5  ADE  H8  5  ADE  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 153, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5  ADE  H1'  6  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 169, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5  ADE  H2'1  6  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 169, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5  ADE  H2'2  6  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 169, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 6  GUA  H8  6  GUA  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 166, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 6  GUA  H8  6  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 185, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 6  GUA  H8  6  GUA  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 186, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 7  X4A  H1'  7  X4A  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 206, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 7  X4A  H1'  7  X4A  H2'2  2  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 207, r1= 1.50, r2= 2.00, r3= 5.50, r4= 6.00,  /
#
# 7  X4A  H3'  7  X4A  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 206, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 7  X4A  H3'  7  X4A  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 207, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 7  X4A  H3'  8  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 223, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 7  X4A  H2'1  8  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 223, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 7  X4A  H2'2  8  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 223, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 7  X4A  H2'1  7  X4A  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 207, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8  ADE  H8  8  ADE  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 220, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8  ADE  H8  8  ADE  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 238, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8  ADE  H8  8  ADE  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 239, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8  ADE  H1'  9  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 255, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8  ADE  H2'1  9  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 255, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8  ADE  H2'2  9  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 255, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 9  CYT  H6  9  CYT  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 252, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 9  CYT  H6  9  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 268, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 9  CYT  H6  9  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 269, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 9  CYT  H1'  10  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 285, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 9  CYT  H2'1  10  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 268, 285, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 9  CYT  H2'2  10  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 285, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 10  CYT  H6  10  CYT  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 282, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 10  CYT  H6  10  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 298, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 10  CYT  H6  10  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 299, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 10  CYT  H1'  11  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 315, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 10  CYT  H2'1  11  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 315, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 11  GUA  H8  11  GUA  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 312, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 11  GUA  H8  11  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 331, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 11  GUA  H8  11  GUA  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 332, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 11  GUA  H1'  12  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 348, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 11  GUA  H2'1  12  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 348, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 11  GUA  H2'2  12  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 348, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 12  GUA  H8  12  GUA  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 345, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 12  GUA  H8  12  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 364, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 12  GUA  H8  12  GUA  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 365, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 12  GUA  H1'  13  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 381, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 12  GUA  H2'1  13  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 381, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 12  GUA  H2'2  13  GUA  H8  2.5  4.5

 &rst
  ixpk= 0, nxpk= 0, iat= 365, 381, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 13  GUA  H8  13  GUA  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 378, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 13  GUA  H8  13  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 397, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 13  GUA  H8  13  GUA  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 398, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H6  14  CYT  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 410, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H6  14  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 426, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H6  14  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 427, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H1'  15  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 443, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H2'1  15  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 443, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H2'2  15  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 443, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 15  CYT  H6  15  CYT  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 440, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 15  CYT  H6  15  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 456, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 15  CYT  H6  15  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 457, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 15  CYT  H1'  16  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 473, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 15  CYT  H2'2  16  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 473, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 16  CYT  H6  16  CYT  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 470, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 16  CYT  H6  16  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 486, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 16  CYT  H6  16  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 487, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 16  CYT  H2'1  17  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 503, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 16  CYT  H2'2  17  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 503, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 16  CYT  H3'  17  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 503, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 17  GUA  H8  17  GUA  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 500, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 17  GUA  H8  17  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 519, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 17  GUA  H8  17  GUA  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 520, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 17  GUA  H1'  18  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 536, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 17  GUA  H2'1  18  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 536, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 17  GUA  H2'2  18  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 536, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 18  GUA  H8  18  GUA  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 533, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 18  GUA  H8  18  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 552, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 18  GUA  H8  18  GUA  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 553, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 18  GUA  H1'  19  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 569, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 18  GUA  H2'1  19  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 569, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 18  GUA  H2'2  19  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 569, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 18  GUA  H8  19  THY  H7  2  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.50, r2= 2.00, r3= 6.61, r4= 7.11,
 igr2= 572, 573, 574,
 /
#
# 19  THY  H6  19  THY  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 566, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 19  THY  H6  19  THY  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 584, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 19  THY  H6  19  THY  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 585, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 19  THY  H6  19  THY  H7  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 572, 573, 574,
 /
#
# 19  THY  H1'  20  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 601, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 19  THY  H2'1  20  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 601, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 19  THY  H2'2  20  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 601, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 20  ADE  H8  20  ADE  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 598, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 20  ADE  H8  20  ADE  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 616, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 20  ADE  H8  20  ADE  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 617, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 20  ADE  H1'  21  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 633, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 20  ADE  H2'1  21  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 633, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 20  ADE  H2'2  21  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 633, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 20  ADE  H8  21  CYT  H5  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 635, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H6  21  CYT  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 630, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H6  21  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 646, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H6  21  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 647, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H1'  22  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 663, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H2'1  22  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 646, 663, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H2'2  22  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 647, 663, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H3'  22  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 644, 663, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H6  22  THY  H7  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 633,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 666, 667, 668,
 /
#
# 21  CYT  H2'1  22  THY  H7  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 646,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 666, 667, 668,
 /
#
# 21  CYT  H2'2  22  THY  H7  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 647,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 666, 667, 668,
 /
#
# 22  THY  H6  22  THY  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 660, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 22  THY  H6  22  THY  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 678, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 22  THY  H6  22  THY  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 679, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 22  THY  H6  22  THY  H7  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 663,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 666, 667, 668,
 /
#
# 22  THY  H1'  23  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 695, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 23  THY  H6  23  THY  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 692, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 23  THY  H6  23  THY  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 710, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 23  THY  H6  23  THY  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 711, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 23  THY  H6  23  THY  H7  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 695,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 698, 699, 700,
 /
#
# 23  THY  H1'  24  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 727, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 23  THY  H2'1  24  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 727, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 23  THY  H2'2  24  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 727, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 24  THY  H6  24  THY  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 724, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 24  THY  H6  24  THY  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 742, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 24  THY  H6  24  THY  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 743, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 24  THY  H6  24  THY  H7  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 727,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 730, 731, 732,
 /
#
# 24  THY  H2'1  24  THY  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 743, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 24  THY  H3'  24  THY  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 742, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 24  THY  H1'  25  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 759, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 24  THY  H2'1  25  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 759, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 24  THY  H2'2  25  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 759, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 25  GUA  H8  25  GUA  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 756, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 25  GUA  H8  25  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 775, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 25  GUA  H8  25  GUA  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 776, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 25  GUA  H1'  26  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 756, 792, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 25  GUA  H2'  26  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 792, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 25  GUA  H2'2  26  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 792, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 26  GUA  H8  26  GUA  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 789, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 26  GUA  H8  26  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 808, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 26  GUA  H8  26  GUA  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 809, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /

  Entry H atom name         Submitted Coord H atom name
    1   1H5*    C   1          1H5'      DC5   1   2.081  -8.270  -5.941
    2   2H5*    C   1          2H5'      DC5   1   1.061  -6.823  -5.873
    3    H4*    C   1           H4'      DC5   1   4.017  -6.720  -6.584
    4    H3*    C   1           H3'      DC5   1   3.047  -7.523  -4.080
    5    H1*    C   1           H1'      DC5   1   4.202  -4.003  -4.947
    6   1H4     C   1          H42       DC5   1   0.365   0.916  -4.369
    7   2H4     C   1          H41       DC5   1  -1.102  -0.072  -4.293
    8    H5     C   1           H5       DC5   1  -1.026  -2.469  -4.486
    9    H6     C   1           H6       DC5   1   0.461  -4.397  -4.768
   10    H5T    C   1           H5T      DC5   1   1.679  -6.459  -8.126
   11   1H2*    C   1          1H2'      DC5   1   1.984  -5.529  -3.530
   12   2H2*    C   1          2H2'      DC5   1   3.610  -5.097  -2.947
   13   1H5*    C   2          1H5'       DC   2   6.793  -4.689  -4.035
   14   2H5*    C   2          2H5'       DC   2   8.023  -5.613  -3.167
   15    H4*    C   2           H4'       DC   2   8.464  -3.358  -2.713
   16    H3*    C   2           H3'       DC   2   7.833  -5.055  -0.542
   17    H1*    C   2           H1'       DC   2   6.893  -1.406  -0.920
   18   1H4     C   2          H42        DC   2   1.010   0.632  -0.931
   19   2H4     C   2          H41        DC   2   0.282  -0.980  -1.038
   20    H5     C   2           H5        DC   2   1.666  -2.968  -1.213
   21    H6     C   2           H6        DC   2   3.992  -3.763  -1.278
   22   1H2*    C   2          1H2'       DC   2   5.762  -4.110  -0.087
   23   2H2*    C   2          2H2'       DC   2   6.732  -2.957   0.859
   24   1H5*    A   3          1H5'       DA   3   9.329  -0.650   0.090
   25   2H5*    A   3          2H5'       DA   3  10.766  -0.846   1.099
   26    H4*    A   3           H4'       DA   3   9.969   1.307   1.521
   27    H3*    A   3           H3'       DA   3  10.129  -0.484   3.670
   28    H1*    A   3           H1'       DA   3   7.332   2.064   3.159
   29    H8     A   3           H8        DA   3   6.054  -1.588   2.582
   30   1H6     A   3          H61        DA   3   0.526   1.349   2.204
   31   2H6     A   3          H62        DA   3   1.258  -0.258   2.146
   32    H2     A   3           H2        DA   3   3.559   4.348   2.793
   33   1H2*    A   3          1H2'       DA   3   7.825  -0.864   3.829
   34   2H2*    A   3          2H2'       DA   3   7.906   0.557   4.903
   35   1H5*    A   4          1H5'       DA   4   8.914   3.966   4.156
   36   2H5*    A   4          2H5'       DA   4  10.028   4.649   5.342
   37    H4*    A   4           H4'       DA   4   8.077   5.969   5.376
   38    H3*    A   4           H3'       DA   4   8.969   4.727   7.733
   39    H1*    A   4           H1'       DA   4   5.351   5.268   6.738
   40    H8     A   4           H8        DA   4   6.256   1.466   6.507
   41   1H6     A   4          H61        DA   4   0.062   0.934   5.629
   42   2H6     A   4          H62        DA   4   1.527  -0.029   5.825
   43    H2     A   4           H2        DA   4   0.965   5.120   6.115
   44   1H2*    A   4          1H2'       DA   4   7.246   3.130   7.795
   45   2H2*    A   4          2H2'       DA   4   6.419   4.431   8.699
   46   1H5*    A   5          1H5'       DA   5   5.257   7.778   7.874
   47   2H5*    A   5          2H5'       DA   5   5.908   8.984   8.988
   48    H4*    A   5           H4'       DA   5   3.597   9.132   9.197
   49    H3*    A   5           H3'       DA   5   5.130   8.461  11.446
   50    H1*    A   5           H1'       DA   5   1.652   7.030  10.641
   51    H8     A   5           H8        DA   5   4.500   4.376  10.261
   52   1H6     A   5          H61        DA   5  -0.311   0.570   8.997
   53   2H6     A   5          H62        DA   5   1.437   0.596   9.231
   54    H2     A   5           H2        DA   5  -1.919   4.523   9.652
   55   1H2*    A   5          1H2'       DA   5   4.433   6.238  11.587
   56   2H2*    A   5          2H2'       DA   5   3.089   6.949  12.522
   57   1H5*    G   6          1H5'       DG   6   0.492   9.376  12.249
   58   2H5*    G   6          2H5'       DG   6   0.424  10.372  13.717
   59    H4*    G   6           H4'       DG   6  -1.362   8.807  13.790
   60    H3*    G   6           H3'       DG   6   0.615   8.925  15.830
   61    H1*    G   6           H1'       DG   6  -1.409   6.024  14.644
   62    H8     G   6           H8        DG   6   2.290   4.958  14.250
   63    H1     G   6           H1        DG   6  -2.166   0.751  12.256
   64   1H2     G   6          H22        DG   6  -4.144   1.741  12.290
   65   2H2     G   6          H21        DG   6  -4.284   3.447  12.704
   66   1H2*    G   6          1H2'       DG   6   1.446   6.786  15.357
   67   2H2*    G   6          2H2'       DG   6   0.138   6.303  16.482
   68   1H5*  X4A   7          1H5'      X4A   7  -3.840   7.450  18.778
   69   2H5*  X4A   7          2H5'      X4A   7  -3.035   5.891  18.747
   70    H4A  X4A   7           H4A      X4A   7  -5.530   7.406  16.344
   71    H1*  X4A   7           H1'      X4A   7  -2.991   4.018  17.299
   72    H1A  X4A   7           H1A      X4A   7  -3.143   3.860  14.579
   73    H3*  X4A   7           H3'      X4A   7  -4.908   5.117  18.441
   74   1H2*  X4A   7          1H2'      X4A   7  -5.267   3.287  17.069
   75   2H2*  X4A   7          2H2'      X4A   7  -5.507   4.313  15.609
   76   1H5*    A   8          1H5'       DA   8  -8.247   3.464  17.138
   77   2H5*    A   8          2H5'       DA   8  -9.567   4.108  18.115
   78    H4*    A   8           H4'       DA   8  -9.841   1.802  18.141
   79    H3*    A   8           H3'       DA   8  -9.601   3.028  20.577
   80    H1*    A   8           H1'       DA   8  -7.564  -0.217  19.842
   81    H8     A   8           H8        DA   8  -5.484   3.071  19.638
   82   1H6     A   8          H61        DA   8  -0.736  -0.860  18.550
   83   2H6     A   8          H62        DA   8  -1.143   0.842  18.801
   84    H2     A   8           H2        DA   8  -4.339  -3.236  18.945
   85   1H2*    A   8          1H2'       DA   8  -7.303   2.622  20.873
   86   2H2*    A   8          2H2'       DA   8  -7.925   1.183  21.698
   87   1H5*    C   9          1H5'       DC   9  -9.607  -1.612  20.389
   88   2H5*    C   9          2H5'       DC   9 -10.882  -2.214  21.453
   89    H4*    C   9           H4'       DC   9  -9.186  -3.850  21.405
   90    H3*    C   9           H3'       DC   9  -9.872  -2.653  23.890
   91    H1*    C   9           H1'       DC   9  -6.517  -3.959  22.742
   92   1H4     C   9          H42        DC   9  -1.371  -0.457  22.145
   93   2H4     C   9          H41        DC   9  -2.196   1.080  22.472
   94    H5     C   9           H5        DC   9  -4.574   1.149  22.927
   95    H6     C   9           H6        DC   9  -6.600  -0.214  23.082
   96   1H2*    C   9          1H2'       DC   9  -7.828  -1.595  24.166
   97   2H2*    C   9          2H2'       DC   9  -7.345  -3.162  24.855
   98   1H5*    C  10          1H5'       DC  10  -7.157  -6.433  23.591
   99   2H5*    C  10          2H5'       DC  10  -7.822  -7.655  24.680
  100    H4*    C  10           H4'       DC  10  -5.493  -8.017  24.577
  101    H3*    C  10           H3'       DC  10  -6.659  -7.270  27.110
  102    H1*    C  10           H1'       DC  10  -3.168  -6.700  25.676
  103   1H4     C  10          H42        DC  10  -0.671  -0.967  25.428
  104   2H4     C  10          H41        DC  10  -2.200  -0.127  25.716
  105    H5     C  10           H5        DC  10  -4.270  -1.357  26.056
  106    H6     C  10           H6        DC  10  -5.252  -3.606  26.121
  107   1H2*    C  10          1H2'       DC  10  -5.324  -5.428  27.415
  108   2H2*    C  10          2H2'       DC  10  -4.071  -6.607  27.873
  109   1H5*    G  11          1H5'       DG  11  -2.549  -9.669  26.753
  110   2H5*    G  11          2H5'       DG  11  -2.646 -10.962  27.955
  111    H4*    G  11           H4'       DG  11  -0.370 -10.368  27.735
  112    H3*    G  11           H3'       DG  11  -1.590 -10.244  30.253
  113    H1*    G  11           H1'       DG  11   1.008  -7.786  28.973
  114    H8     G  11           H8        DG  11  -2.456  -6.015  29.259
  115    H1     G  11           H1        DG  11   2.617  -2.244  28.015
  116   1H2     G  11          H22        DG  11   4.430  -3.522  27.870
  117   2H2     G  11          H21        DG  11   4.283  -5.277  28.021
  118   1H2*    G  11          1H2'       DG  11  -1.730  -7.903  30.298
  119   2H2*    G  11          2H2'       DG  11  -0.126  -8.070  31.055
  120   1H5*    G  12          1H5'       DG  12   2.847  -9.212  29.517
  121   2H5*    G  12          2H5'       DG  12   3.803 -10.265  30.565
  122    H4*    G  12           H4'       DG  12   5.086  -8.335  30.189
  123    H3*    G  12           H3'       DG  12   4.304  -9.021  32.843
  124    H1*    G  12           H1'       DG  12   4.975  -5.630  31.352
  125    H8     G  12           H8        DG  12   1.130  -5.894  32.049
  126    H1     G  12           H1        DG  12   3.527   0.029  31.145
  127   1H2     G  12          H22        DG  12   5.745  -0.146  30.922
  128   2H2     G  12          H21        DG  12   6.494  -1.749  30.919
  129   1H2*    G  12          1H2'       DG  12   2.981  -7.102  33.124
  130   2H2*    G  12          2H2'       DG  12   4.549  -6.385  33.599
  131   1H5*    G  13          1H5'      DG3  13   7.676  -5.815  31.918
  132   2H5*    G  13          2H5'      DG3  13   9.059  -6.424  32.838
  133    H4*    G  13           H4'      DG3  13   9.351  -4.107  32.705
  134    H3*    G  13           H3'      DG3  13   9.067  -5.345  35.240
  135    H1*    G  13           H1'      DG3  13   7.921  -1.879  34.212
  136    H8     G  13           H8       DG3  13   4.815  -4.207  34.689
  137    H1     G  13           H1       DG3  13   3.711   2.143  34.613
  138   1H2     G  13          H22       DG3  13   5.635   3.198  34.248
  139   2H2     G  13          H21       DG3  13   7.123   2.273  34.023
  140    H3T    G  13           H3T      DG3  13  10.530  -3.769  35.826
  141   1H2*    G  13          1H2'      DG3  13   7.007  -4.355  35.730
  142   2H2*    G  13          2H2'      DG3  13   8.062  -3.024  36.300
  143   1H5*    C  14          1H5'      DC5  14   2.447  10.316  36.147
  144   2H5*    C  14          2H5'      DC5  14   2.831  11.432  34.832
  145    H4*    C  14           H4'      DC5  14   4.600   9.863  34.976
  146    H3*    C  14           H3'      DC5  14   3.137  10.120  32.569
  147    H1*    C  14           H1'      DC5  14   4.664   6.944  33.981
  148   1H4     C  14          H42       DC5  14   1.204   1.890  35.234
  149   2H4     C  14          H41       DC5  14  -0.318   2.788  35.377
  150    H5     C  14           H5       DC5  14  -0.413   5.178  34.964
  151    H6     C  14           H6       DC5  14   0.947   7.161  34.450
  152    H5T    C  14           H5T      DC5  14   0.614  10.804  34.751
  153   1H2*    C  14          1H2'      DC5  14   2.126   8.029  32.692
  154   2H2*    C  14          2H2'      DC5  14   3.635   7.500  31.910
  155   1H5*    C  15          1H5'       DC  15   7.020   7.404  32.596
  156   2H5*    C  15          2H5'       DC  15   8.023   8.126  31.329
  157    H4*    C  15           H4'       DC  15   8.558   5.833  31.390
  158    H3*    C  15           H3'       DC  15   7.531   6.988  29.018
  159    H1*    C  15           H1'       DC  15   6.910   3.456  30.298
  160   1H4     C  15          H42        DC  15   1.241   1.232  31.550
  161   2H4     C  15          H41        DC  15   0.404   2.794  31.458
  162    H5     C  15           H5        DC  15   1.668   4.848  30.997
  163    H6     C  15           H6        DC  15   3.917   5.724  30.541
  164   1H2*    C  15          1H2'       DC  15   5.513   5.857  29.050
  165   2H2*    C  15          2H2'       DC  15   6.451   4.570  28.257
  166   1H5*    C  16          1H5'       DC  16   9.449   2.762  29.126
  167   2H5*    C  16          2H5'       DC  16  10.627   2.659  27.807
  168    H4*    C  16           H4'       DC  16   9.755   0.485  28.157
  169    H3*    C  16           H3'       DC  16   9.174   1.857  25.629
  170    H1*    C  16           H1'       DC  16   7.327  -0.905  27.629
  171   1H4     C  16          H42        DC  16   1.156  -0.060  28.091
  172   2H4     C  16          H41        DC  16   1.230   1.706  27.979
  173    H5     C  16           H5        DC  16   3.358   2.845  27.638
  174    H6     C  16           H6        DC  16   5.782   2.481  27.355
  175   1H2*    C  16          1H2'       DC  16   6.996   1.263  25.537
  176   2H2*    C  16          2H2'       DC  16   7.532  -0.430  25.364
  177   1H5*    G  17          1H5'       DG  17   9.393  -2.734  25.902
  178   2H5*    G  17          2H5'       DG  17  10.520  -3.307  24.663
  179    H4*    G  17           H4'       DG  17   8.836  -4.950  24.872
  180    H3*    G  17           H3'       DG  17   9.278  -3.712  22.389
  181    H1*    G  17           H1'       DG  17   5.875  -4.753  23.761
  182    H8     G  17           H8        DG  17   6.214  -0.859  23.695
  183    H1     G  17           H1        DG  17   0.387  -3.239  25.085
  184   1H2     G  17          H22        DG  17   0.495  -5.458  25.017
  185   2H2     G  17          H21        DG  17   2.040  -6.248  24.689
  186   1H2*    G  17          1H2'       DG  17   7.312  -2.442  22.409
  187   2H2*    G  17          2H2'       DG  17   6.635  -3.918  21.672
  188   1H5*    G  18          1H5'       DG  18   6.241  -7.211  22.995
  189   2H5*    G  18          2H5'       DG  18   6.869  -8.484  21.946
  190    H4*    G  18           H4'       DG  18   4.592  -8.943  22.170
  191    H3*    G  18           H3'       DG  18   5.547  -8.326  19.583
  192    H1*    G  18           H1'       DG  18   2.124  -7.368  21.032
  193    H8     G  18           H8        DG  18   4.448  -4.247  20.645
  194    H1     G  18           H1        DG  18  -1.751  -3.073  21.976
  195   1H2     G  18          H22        DG  18  -2.827  -5.015  22.085
  196   2H2     G  18          H21        DG  18  -1.940  -6.534  21.900
  197   1H2*    G  18          1H2'       DG  18   4.459  -6.278  19.418
  198   2H2*    G  18          2H2'       DG  18   3.095  -7.293  18.869
  199   1H5*    T  19          1H5'       DT  19   1.218  -9.747  20.203
  200   2H5*    T  19          2H5'       DT  19   0.950 -11.164  19.179
  201    H4*    T  19           H4'       DT  19  -1.123 -10.044  19.381
  202    H3*    T  19           H3'       DT  19   0.027 -10.421  16.825
  203   1H2*    T  19          1H2'       DT  19   0.454  -8.171  16.447
  204   2H2*    T  19          2H2'       DT  19  -1.226  -8.168  15.862
  205    H1*    T  19           H1'       DT  19  -2.097  -7.537  17.994
  206    H3     T  19           H3        DT  19  -1.675  -3.078  18.489
  207   1H5M    T  19          1H5M       DT  19   2.914  -4.768  16.329
  208   2H5M    T  19          2H5M       DT  19   2.738  -3.128  16.897
  209   3H5M    T  19          3H5M       DT  19   3.271  -4.379  18.000
  210    H6     T  19           H6        DT  19   1.470  -6.528  17.321
  211   1H5*    A  20          1H5'       DA  20  -4.421  -8.850  17.230
  212   2H5*    A  20          2H5'       DA  20  -5.389  -9.878  16.163
  213    H4*    A  20           H4'       DA  20  -6.405  -7.773  16.083
  214    H3*    A  20           H3'       DA  20  -5.261  -8.806  13.683
  215    H1*    A  20           H1'       DA  20  -5.643  -5.244  14.783
  216    H8     A  20           H8        DA  20  -1.821  -6.009  14.513
  217   1H6     A  20          H61        DA  20  -1.420   0.150  15.550
  218   2H6     A  20          H62        DA  20  -0.441  -1.268  15.144
  219    H2     A  20           H2        DA  20  -5.555  -0.930  15.887
  220   1H2*    A  20          1H2'       DA  20  -3.587  -7.165  13.599
  221   2H2*    A  20          2H2'       DA  20  -4.869  -6.267  12.734
  222   1H5*    C  21          1H5'       DC  21  -8.102  -5.091  13.666
  223   2H5*    C  21          2H5'       DC  21  -9.307  -5.295  12.384
  224    H4*    C  21           H4'       DC  21  -8.816  -2.962  12.619
  225    H3*    C  21           H3'       DC  21  -8.029  -4.316  10.105
  226    H1*    C  21           H1'       DC  21  -6.663  -1.183  12.022
  227   1H4     C  21          H42        DC  21  -0.414  -1.177  11.912
  228   2H4     C  21          H41        DC  21  -0.268  -2.932  11.722
  229    H5     C  21           H5        DC  21  -2.242  -4.337  11.462
  230    H6     C  21           H6        DC  21  -4.709  -4.313  11.501
  231   1H2*    C  21          1H2'       DC  21  -6.180  -3.130   9.779
  232   2H2*    C  21          2H2'       DC  21  -7.105  -1.608   9.821
  233   1H5*    T  22          1H5'       DT  22  -9.422  -0.065  10.473
  234   2H5*    T  22          2H5'       DT  22 -10.667   0.331   9.281
  235    H4*    T  22           H4'       DT  22  -9.398   2.294   9.749
  236    H3*    T  22           H3'       DT  22  -9.638   1.349   7.103
  237   1H2*    T  22          1H2'       DT  22  -7.445   0.640   6.907
  238   2H2*    T  22          2H2'       DT  22  -7.161   2.329   6.436
  239    H1*    T  22           H1'       DT  22  -6.585   2.994   8.644
  240    H3     T  22           H3        DT  22  -2.249   1.857   9.003
  241   1H5M    T  22          1H5M       DT  22  -3.834  -2.276   6.681
  242   2H5M    T  22          2H5M       DT  22  -3.249  -2.711   8.284
  243   3H5M    T  22          3H5M       DT  22  -4.973  -2.713   7.940
  244    H6     T  22           H6        DT  22  -6.205  -0.697   8.014
  245   1H5*    T  23          1H5'       DT  23  -7.532   5.362   8.150
  246   2H5*    T  23          2H5'       DT  23  -8.448   6.589   7.271
  247    H4*    T  23           H4'       DT  23  -6.285   7.460   7.613
  248    H3*    T  23           H3'       DT  23  -7.288   7.179   5.004
  249   1H2*    T  23          1H2'       DT  23  -5.904   5.436   4.373
  250   2H2*    T  23          2H2'       DT  23  -4.769   6.745   3.973
  251    H1*    T  23           H1'       DT  23  -3.667   6.627   6.055
  252    H3     T  23           H3        DT  23  -0.827   3.151   5.919
  253   1H5M    T  23          1H5M       DT  23  -4.102   0.289   4.180
  254   2H5M    T  23          2H5M       DT  23  -5.264   0.595   5.455
  255   3H5M    T  23          3H5M       DT  23  -5.436   1.380   3.894
  256    H6     T  23           H6        DT  23  -5.565   3.490   5.186
  257   1H5*    T  24          1H5'       DT  24  -3.228   9.315   5.710
  258   2H5*    T  24          2H5'       DT  24  -3.286  10.881   4.887
  259    H4*    T  24           H4'       DT  24  -1.038  10.131   4.844
  260    H3*    T  24           H3'       DT  24  -2.435  10.586   2.392
  261   1H2*    T  24          1H2'       DT  24  -2.321   8.392   1.689
  262   2H2*    T  24          2H2'       DT  24  -0.693   8.856   1.136
  263    H1*    T  24           H1'       DT  24   0.331   8.162   3.179
  264    H3     T  24           H3        DT  24   1.006   3.727   2.734
  265   1H5M    T  24          1H5M       DT  24  -3.897   4.575   0.912
  266   2H5M    T  24          2H5M       DT  24  -3.361   2.964   1.328
  267   3H5M    T  24          3H5M       DT  24  -4.157   3.954   2.539
  268    H6     T  24           H6        DT  24  -2.932   6.465   2.372
  269   1H5*    G  25          1H5'       DG  25   2.290  10.324   2.661
  270   2H5*    G  25          2H5'       DG  25   2.872  11.731   1.761
  271    H4*    G  25           H4'       DG  25   4.520  10.040   1.583
  272    H3*    G  25           H3'       DG  25   3.325  11.114  -0.751
  273    H1*    G  25           H1'       DG  25   4.497   7.535  -0.207
  274    H8     G  25           H8        DG  25   0.586   7.699  -0.365
  275    H1     G  25           H1        DG  25   3.314   1.884  -0.888
  276   1H2     G  25          H22        DG  25   5.540   2.153  -0.789
  277   2H2     G  25          H21        DG  25   6.207   3.770  -0.523
  278   1H2*    G  25          1H2'       DG  25   2.193   9.164  -1.336
  279   2H2*    G  25          2H2'       DG  25   3.756   8.759  -2.102
  280   1H5*    G  26          1H5'      DG3  26   6.958   8.294  -0.947
  281   2H5*    G  26          2H5'      DG3  26   8.240   9.084  -1.878
  282    H4*    G  26           H4'      DG3  26   8.496   6.758  -2.191
  283    H3*    G  26           H3'      DG3  26   8.054   8.415  -4.447
  284    H1*    G  26           H1'      DG3  26   6.907   4.905  -3.944
  285    H8     G  26           H8       DG3  26   3.699   7.145  -3.775
  286    H1     G  26           H1       DG3  26   2.863   0.788  -4.460
  287   1H2     G  26          H22       DG3  26   4.877  -0.171  -4.610
  288   2H2     G  26          H21       DG3  26   6.325   0.822  -4.413
  289    H3T    G  26           H3T      DG3  26   9.792   7.079  -4.662
  290   1H2*    G  26          1H2'      DG3  26   5.852   7.630  -4.804
  291   2H2*    G  26          2H2'      DG3  26   6.760   6.433  -5.791