*HEADER    DNA                                     10-NOV-11   2LLJ              
*TITLE     STRUCTURE OF A BIS-NAPHTHALENE BOUND TO A THYMINE-THYMINE DNA MISMATCH
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA (5'-D(*CP*GP*TP*CP*GP*TP*AP*GP*TP*GP*C)-3');           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: DNA (5'-D(*GP*CP*AP*CP*TP*TP*CP*GP*AP*CP*G)-3');           
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630;                                               
*SOURCE   5 MOL_ID: 2;                                                           
*SOURCE   6 SYNTHETIC: YES;                                                      
*SOURCE   7 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   8 ORGANISM_TAXID: 32630                                                
*KEYWDS    DNA THYMINE MISMATCH, MACROCYLE, BISINTERCALATION, DNA                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    5                                                                     
*AUTHOR    M.JOURDAN, A.GRANZHAN, R.GUILLOT, P.DUMY, M.TEULADE-FICHOU            
*REVDAT   1   20-FEB-13 2LLJ    0                                                


#
#   23  BNO H16     5  GUA 1H  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 144, r1= 1.30, r2= 2.0, r3= 5.0, r4= 5.5,  
      rk2= 32.0, rk3=32.0, ir6=1, ialtd=0,                              /
#
#   23  BNO H11     5  GUA H1  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 144, r1= 1.30, r2= 2.0, r3= 5.0, r4= 5.5,  /
#
#   23  BNO H12     17 THY H1'  2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 516, r1= 1.30, r2= 2.0, r3= 4.0, r4= 4.50,  /
#
#   23  BNO H12     17 THY H2'1  2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 534, r1= 1.30, r2= 2.0, r3= 4.0, r4= 4.5,  /
#
#   23  BNO H12     17 THY H2'2  2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 535, r1= 1.30, r2= 2.0, r3= 4.0, r4= 4.5,  /
#
#   23  BNO H12     16 THY H7  4.5
#&rst
#  ixpk= 0, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 2.00, r3= 5.00, r4= 5.50,
#  igr2= 490 491, 492,
#  /
#
#   23  BNO H13     16 THY H1'   4.5
# &rst
#  ixpk= 0, nxpk= 0, iat= 740, 484, r1= 1.30, r2= 2.0, r3= 5.0, r4= 5.5,  /
#
#   23  BNO H13     17 THY H1'  2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 516, r1= 1.30, r2= 2.0, r3= 3.0, r4= 3.50,  /
#
#   23  BNO H13     17 THY H2'1  2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 534, r1= 1.30, r2= 2.0, r3= 3.0, r4= 3.5,  /
#
#   23  BNO H13     17 THY H2'2  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 535, r1= 1.30, r2= 2.0, r3= 3.0, r4= 3.5,  /
#
#   23  BNO H13     16 THY H7  3.5
&rst
  ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 2.00, r3= 4.00, r4= 4.50,
  igr2= 490, 491, 492,
  /
#
#   23  BNO H4     16 THY H1'  2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 484, r1= 1.30, r2= 2.0, r3= 3.0, r4= 4.5,  /
#
#   23  BNO H4     16 THY H2'1  2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 502, r1= 1.30, r2= 2.0, r3= 3.0, r4= 4.5,  /
#
#   23  BNO H4     16 THY H2'2  2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 503, r1= 1.30, r2= 2.0, r3= 3.0, r4= 4.5,  /
#
#   23  BNO H4     16 THY H7  2.5
&rst
  ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 2.00, r3= 4.00, r4= 4.50,
  igr2= 490, 491, 492,
  /
#
#   23  BNO H4     18 CYT H5  2.5
# &rst
#  ixpk= 0, nxpk= 0, iat= 699, 553, r1= 1.30, r2= 2.0, r3= 3.0, r4= 3.5,  /
#
#   23  BNO H5     16 THY H1'  2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 484, r1= 1.30, r2= 2.0, r3= 4.0, r4= 4.5,  /
#
#   23  BNO H5     16 THY H2'1  2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 502, r1= 1.30, r2= 2.0, r3= 4.0, r4= 4.5,  /
#
#   23  BNO H5     16 THY H2'2  2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 503, r1= 1.30, r2= 2.0, r3= 4.0, r4= 4.5,  /
#
#   23  BNO H5     16 THY H7  3.5
&rst
  ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 2.00, r3= 4.00, r4= 4.50,
  igr2= 490, 491, 492,
  /
#
#   23  BNO H27     16 THY H7  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 2.00, r3= 5.00, r4= 5.50, 
  igr2= 490, 491, 492,
  /
#
#   23  BNO H28     16 THY H7  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 2.00, r3= 5.00, r4= 5.50, 
  igr2= 490, 491, 492,
  /
#
#   23  BNO H43     7 ADE H1'  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 713, 200, r1= 1.30, r2= 2.0, r3= 4.0, r4= 4.5,  /
#
#   23  BNO H44     7 ADE H1'  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 200, r1= 1.30, r2= 2.0, r3= 4.0, r4= 4.5,  /
#
#    1  CYT H1'      1  CYT H6     3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  13, r1= 1.30, r2= 3.04, r3= 3.80, r4= 4.56, /
      rk2= 32.0, rk3=32.0, ir6=1, ialtd=0,
 /
#    1  CYT H2'1     1  CYT H1'         2.52
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  10, r1= 1.30, r2= 2.02, r3= 2.52, r4= 3.02,  /
#
#    1  CYT H2'1     1  CYT H6     3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  13, r1= 1.30, r2= 2.88, r3= 3.60, r4= 4.32,  /
#
#    1  CYT H2'1     2  GUA H8     2.56
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  43, r1= 1.30, r2= 2.05, r3= 2.56, r4= 3.07,  /
#
#    1  CYT H2'2     1  CYT H1'           3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  10, r1= 1.30, r2= 2.57, r3= 3.21, r4= 3.85,  /
#
#    1  CYT H2'2     1  CYT H6    2.51
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  13, r1= 1.30, r2= 2.01, r3= 2.51, r4= 3.01,  /
#
#    1  CYT H2'2     2  GUA H8  3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  43, r1= 1.30, r2= 2.75, r3= 3.44, r4= 4.12,  /
#
#    1  CYT H5       1  CYT H6  2.45
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  13, r1= 1.30, r2= 1.96, r3= 2.45, r4= 2.94,  /
#
#    2  GUA H2'1     2  GUA H8  2.27
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  43, r1= 1.30, r2= 1.82, r3= 2.27, r4= 2.72,  /
#
#    2  GUA H2'1     3  THY H6  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  76, r1= 1.30, r2= 2.40, r3= 3.00, r4= 3.6,  /
#
#    2  GUA H2'2     2  GUA H8  2.38
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  43, r1= 1.30, r2= 1.90, r3= 2.38, r4= 2.85,  /
#
#    2  GUA H2'2     3  THY H6  3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  76, r1= 1.30, r2= 2.96, r3= 3.70, r4= 4.44,  /
#
#    2  GUA H8       1  CYT H1'  2.72
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  10, r1= 1.30, r2= 2.18, r3= 2.72, r4= 3.26,  /
#
#    2  GUA H8       2  GUA H1'  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  40, r1= 1.30, r2= 3.20, r3= 4.00, r4= 4.80,  /
#
#    2  GUA H8       3  THY H6  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  76, r1= 1.30, r2= 4.00, r3= 5.00, r4= 6.00,  /
#
#    3  THY H1'      3  THY H6  3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  76, r1= 1.30, r2= 2.96, r3= 3.70, r4= 4.44,  /
#
#    3  THY H1'      4  CYT H6  3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  73, 108, r1= 1.30, r2= 2.64, r3= 3.30, r4= 3.96,  /
#
#    3  THY H2'1     3  THY H6  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  76, r1= 1.30, r2= 2.80, r3= 3.50, r4= 4.2,  /
#
#    3  THY H2'1     4  CYT H6  2.78
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 108, r1= 1.30, r2= 2.22, r3= 2.78, r4= 3.33,  /
#
#    3  THY H2'2     3  THY H6  2.35
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  76, r1= 1.30, r2= 1.88, r3= 2.35, r4= 2.82,  /
#
#    3  THY H2'2     4  CYT H6  3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 108, r1= 1.30, r2= 2.96, r3= 3.70, r4= 4.44,  /
#
#    3  THY H6       2  GUA H1'  2.52
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  40, r1= 1.30, r2= 2.02, r3= 2.52, r4= 3.02,  /
#
#    3  THY H6       4  CYT H5  3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  76, 110, r1= 1.30, r2= 3.04, r3= 3.80, r4= 4.56,  /
#
#    3  THY H7       2  GUA H8  2.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  43, r1= 1.30, r2= 2.57, r3= 3.21, r4= 3.85,
 igr1=  79,  80,  81,
 /
#
#    3  THY H7       3  THY H6  2.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  76, r1= 1.30, r2= 2.46, r3= 3.07, r4= 3.68,
 igr1=  79,  80,  81,
 /
#
#    4  CYT H2'1     4  CYT H6  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 108, r1= 1.30, r2= 2.40, r3= 3.00, r4= 3.60,  /
#
#    4  CYT H2'2     4  CYT H6  2.59
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 108, r1= 1.30, r2= 2.07, r3= 2.59, r4= 3.10,  /
#
#    4  CYT H6       4  CYT H1'  3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 105, r1= 1.30, r2= 3.12, r3= 3.90, r4= 4.68,  /
#
#    4  CYT H6       4  CYT H5  2.45
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 110, r1= 1.30, r2= 1.96, r3= 2.45, r4= 2.94,  /
#
#    5  GUA H8       4  CYT H1'  2.41
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 105, r1= 1.30, r2= 1.93, r3= 2.41, r4= 2.89,  /
#
#    5  GUA H8       4  CYT H2'1  2.49
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 121, r1= 1.30, r2= 1.99, r3= 2.49, r4= 2.98,  /
#
#    5  GUA H8       4  CYT H2'2  3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 122, r1= 1.30, r2= 2.96, r3= 3.70, r4= 4.44,  /
#
#    5  GUA H8       4  CYT H6  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 108, r1= 1.30, r2= 4.00, r3= 5.00, r4= 6.00,  /
#
#    5  GUA H8       5  GUA H1'  3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 135, r1= 1.30, r2= 3.12, r3= 3.90, r4= 4.68,  /
#
#    5  GUA H8       5  GUA H2'1 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 154, r1= 1.30, r2= 2.96, r3= 3.70, r4= 4.44,  /
#
#    5  GUA H8       5  GUA H2'2 2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 155, r1= 1.30, r2= 1.91, r3= 2.39, r4= 2.86,  /
#
#    6  THY H6       5  GUA H1'  2.79
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 135, r1= 1.30, r2= 2.23, r3= 2.79, r4= 3.34,  /
#
#    6  THY H6       5  GUA H2'1 2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 154, r1= 1.30, r2= 2.39, r3= 2.99, r4= 3.58,  /
#
#    6  THY H6       5  GUA H2'2 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 155, r1= 1.30, r2= 2.96, r3= 3.70, r4= 4.44,  /
#
#    6  THY H6       5  GUA H8  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 138, r1= 1.30, r2= 4.00, r3= 5.00, r4= 6.00,  /
#
#    8  GUA H1'      8  GUA H2'1   2.61
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 251, r1= 1.30, r2= 2.09, r3= 2.61, r4= 3.13,  /
#
#    8  GUA H2'2     8  GUA H1'    2.46
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 232, r1= 1.30, r2= 1.97, r3= 2.46, r4= 2.95,  /
#
#    8  GUA H2'2     8  GUA H8  2.76
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 235, r1= 1.30, r2= 2.21, r3= 2.76, r4= 3.31,  /
#
#    8  GUA H2'2     9  THY H6  3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 268, r1= 1.30, r2= 2.89, r3= 3.61, r4= 4.33,  /
#
#    8  GUA H8       8  GUA H1'  3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 232, r1= 1.30, r2= 3.14, r3= 3.92, r4= 4.70,  /
#
#    8  GUA H8       8  GUA H2'1 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 251, r1= 1.30, r2= 2.97, r3= 3.71, r4= 4.45,  /
#
#    9  THY H1'     10  GUA H8  2.74
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 300, r1= 1.30, r2= 2.19, r3= 2.74, r4= 3.28,  /
#
#    9  THY H1'      9  THY H2'1        2.51
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 283, r1= 1.30, r2= 2.01, r3= 2.51, r4= 3.01,  /
#
#    9  THY H2'1     9  THY H6  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 268, r1= 1.30, r2= 2.40, r3= 3.00, r4= 3.60,  /
#
#    9  THY H2'2     9  THY H6  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 268, r1= 1.30, r2= 1.91, r3= 2.39, r4= 2.86,  /
#
#    9  THY H6       8  GUA H2'1 2.69
 &rst
  ixpk= 0, nxpk= 0, iat= 268, 251, r1= 1.30, r2= 2.15, r3= 2.69, r4= 3.22,  /
#
#    9  THY H6       8  GUA H8  3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 268, 235, r1= 1.30, r2= 2.55, r3= 3.19, r4= 3.82,  /
#
#    9  THY H7      10  GUA H8  4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 300, r1= 1.30, r2= 3.86, r3= 4.82, r4= 5.78,
 igr1= 271, 272, 273,
 /
#
#    9  THY H7       8  GUA H1'  3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 232, r1= 1.30, r2= 3.07, r3= 3.84, r4= 4.60,
 igr1= 271, 272, 273,
 /
#
#    9  THY H7       8  GUA H8  3.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 2.90, r3= 3.63, r4= 4.35,
 igr1= 271, 272, 273,
 /
#
#    9  THY H7       9  THY H6  2.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 268, r1= 1.30, r2= 2.45, r3= 3.06, r4= 3.67,
 igr1= 271, 272, 273,
 /
#
#   10  GUA H2'1    11  CYT H5     2.61
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 335, r1= 1.30, r2= 2.09, r3= 2.61, r4= 3.13,  /
#
#   10  GUA H2'1    11  CYT H6     2.61
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 333, r1= 1.30, r2= 2.09, r3= 2.61, r4= 3.13,  /
#
#   10  GUA H8      10  GUA H1'    4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 297, r1= 1.30, r2= 3.20, r3= 4.00, r4= 4.80,  /
#
#   10  GUA H8      10  GUA H2'1   3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 316, r1= 1.30, r2= 2.40, r3= 3.00, r4= 3.60,  /
#
#   10  GUA H8      10  GUA H2'2   2.22
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 317, r1= 1.30, r2= 1.78, r3= 2.22, r4= 2.66,  /
#
#   10  GUA H8       9  THY H2'1   2.49
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 283, r1= 1.30, r2= 1.99, r3= 2.49, r4= 2.99,  /
#
#   10  GUA H8       9  THY H2'2   3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 284, r1= 1.30, r2= 2.96, r3= 3.70, r4= 4.44,  /
#
#   10  GUA H8       9  THY H6  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 268, r1= 1.30, r2= 4.00, r3= 5.00, r4= 6.00,  /
#
#   11  CYT H1'     11  CYT H5     5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 335, r1= 1.30, r2= 4.00, r3= 5.00, r4= 6.00,  /
#
#   11  CYT H1'     11  CYT H6     3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 333, r1= 1.30, r2= 2.98, r3= 3.72, r4= 4.46,  /
#
#   11  CYT H2'1    11  CYT H1'    2.06
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 330, r1= 1.30, r2= 1.65, r3= 2.06, r4= 2.47,  /
#
#   11  CYT H2'1    11  CYT H6     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 333, r1= 1.30, r2= 2.40, r3= 3.00, r4= 3.60,  /
#
#   11  CYT H2'2    11  CYT H1'    3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 330, r1= 1.30, r2= 2.40, r3= 3.00, r4= 3.60,  /
#
#   11  CYT H2'2    11  CYT H6     2.19
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 333, r1= 1.30, r2= 1.75, r3= 2.19, r4= 2.62,  /
#
#   11  CYT H5      11  CYT H2'1 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 346, r1= 1.30, r2= 4.00, r3= 5.00, r4= 6.00,  /
#
#   11  CYT H5      11  CYT H2'2 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 347, r1= 1.30, r2= 3.20, r3= 4.00, r4= 4.80,  /
#
#   11  CYT H6      11  CYT H5  2.45
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 335, r1= 1.30, r2= 1.96, r3= 2.45, r4= 2.94,  /
#
#   12  GUA H1'     12  GUA H8  3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 362, r1= 1.30, r2= 3.04, r3= 3.80, r4= 4.56,  /
#
#   12  GUA H2'2    12  GUA H8  2.07
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 362, r1= 1.30, r2= 1.66, r3= 2.07, r4= 2.48,  /
#
#   12  GUA H8      12  GUA H2'2 2.21
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 379, r1= 1.30, r2= 1.77, r3= 2.21, r4= 2.65,  /
#
#   13  CYT H1'     14  ADE H8  2.75
 &rst
 ixpk= 0, nxpk= 0, iat= 392, 425, r1= 1.30, r2= 2.20, r3= 2.75, r4= 3.30,  /
#
#   13  CYT H2'1    13  CYT H1'  2.62
 &rst
 ixpk= 0, nxpk= 0, iat= 408, 392, r1= 1.30, r2= 2.10, r3= 2.62, r4= 3.14,  /
#
#   13  CYT H2'1    13  CYT H6  3.33
 &rst
 ixpk= 0, nxpk= 0, iat= 408, 395, r1= 1.30, r2= 2.66, r3= 3.33, r4= 3.99,  /
#
#   13  CYT H2'1    14  ADE H8  2.85
 &rst
 ixpk= 0, nxpk= 0, iat= 408, 425, r1= 1.30, r2= 2.28, r3= 2.85, r4= 3.42,  /
#
#   13  CYT H2'2    13  CYT H5  3.97
 &rst
 ixpk= 0, nxpk= 0, iat= 409, 397, r1= 1.30, r2= 3.18, r3= 3.97, r4= 4.76,  /
#
#   13  CYT H2'2    13  CYT H6  2.51
 &rst
 ixpk= 0, nxpk= 0, iat= 409, 395, r1= 1.30, r2= 2.01, r3= 2.51, r4= 3.01,  /
#
#   13  CYT H2'2    14  ADE H8  3.63
 &rst
 ixpk= 0, nxpk= 0, iat= 409, 425, r1= 1.30, r2= 2.90, r3= 3.63, r4= 4.35,  /
#
#   13  CYT H6      12  GUA H2'1 2.63
 &rst
 ixpk= 0, nxpk= 0, iat= 395, 379, r1= 1.30, r2= 2.10, r3= 2.63, r4= 3.15,  /
#
#   14  ADE H2'1    15  CYT H5  3.05
 &rst
 ixpk= 0, nxpk= 0, iat= 440, 459, r1= 1.30, r2= 2.44, r3= 3.05, r4= 3.66,  /
#
#   14  ADE H2'2    15  CYT H5  2.93
 &rst
 ixpk= 0, nxpk= 0, iat= 441, 459, r1= 1.30, r2= 2.34, r3= 2.93, r4= 3.51,  /
#
#   14  ADE H8      14  ADE H1'  3.66
 &rst
 ixpk= 0, nxpk= 0, iat= 425, 422, r1= 1.30, r2= 2.93, r3= 3.66, r4= 4.39,  /
#
#   14  ADE H8      14  ADE H2'2 2.37
 &rst
 ixpk= 0, nxpk= 0, iat= 425, 441, r1= 1.30, r2= 1.90, r3= 2.37, r4= 2.84,  /
#
#   14  ADE H8      15  CYT H5  3.82
 &rst
 ixpk= 0, nxpk= 0, iat= 425, 459, r1= 1.30, r2= 3.06, r3= 3.82, r4= 4.58,  /
#
#   15  CYT H1'     15  CYT H2'1 2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 471, r1= 1.30, r2= 1.91, r3= 2.39, r4= 2.86,  /
#
#   15  CYT H1'     15  CYT H6  2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 457, r1= 1.30, r2= 2.38, r3= 2.98, r4= 3.57,  /
#
#   15  CYT H1'     16  THY H6  2.91
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 487, r1= 1.30, r2= 2.33, r3= 2.91, r4= 3.49,  /
#
#   15  CYT H1'     16  THY H7  3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 3.19, r3= 3.99, r4= 4.78,
 igr2= 490, 491, 492,
 /
#
#   15  CYT H5      14  ADE H1'  3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 422, r1= 1.30, r2= 2.58, r3= 3.23, r4= 3.87,  /
#
#   15  CYT H6      14  ADE H1'  2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 422, r1= 1.30, r2= 2.26, r3= 2.83, r4= 3.39,  /
#
#   15  CYT H6      14  ADE H2'2 2.74
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 441, r1= 1.30, r2= 2.19, r3= 2.74, r4= 3.28,  /
#
#   15  CYT H6      15  CYT H2'1  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 470, r1= 1.30, r2= 2.40, r3= 3.00, r4= 3.60,  /
#
#   15  CYT H6      15  CYT H2'2  2.35
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 471, r1= 1.30, r2= 1.88, r3= 2.35, r4= 2.82,  /
#
#   15  CYT H6      15  CYT H5  2.37
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 459, r1= 1.30, r2= 1.90, r3= 2.37, r4= 2.84,  /
#
#   18  CYT H1'     18  CYT H6  3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 551, r1= 1.30, r2= 2.70, r3= 3.38, r4= 4.05,  /
#
#   18  CYT H5      18  CYT H6  2.44
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 551, r1= 1.30, r2= 1.95, r3= 2.44, r4= 2.92,  /
#
#   18  CYT H6      18  CYT H2'1 2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 564, r1= 1.30, r2= 1.91, r3= 2.39, r4= 2.86,  /
#
#   18  CYT H6      18  CYT H2'2 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 565, r1= 1.30, r2= 2.72, r3= 3.40, r4= 4.08,  /
#
#   18  CYT H6      19  GUA H8  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 581, r1= 1.30, r2= 4.00, r3= 5.00, r4= 6.00,  /
#
#   19  GUA H1'     19  GUA H2'1 2.53
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 598, r1= 1.30, r2= 2.02, r3= 2.53, r4= 3.03,  /
#
#   19  GUA H1'     19  GUA H8  3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 581, r1= 1.30, r2= 2.78, r3= 3.48, r4= 4.17,  /
#
#   19  GUA H1'     20  ADE H8  2.67
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 614, r1= 1.30, r2= 2.14, r3= 2.67, r4= 3.20,  /
#
#   19  GUA H2'1    19  GUA H8  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 581, r1= 1.30, r2= 2.40, r3= 3.00, r4= 3.60,  /
#
#   19  GUA H2'2    19  GUA H8  2.38
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 581, r1= 1.30, r2= 1.90, r3= 2.38, r4= 2.85,  /
#
#   20  ADE H2'2    20  ADE H1'  2.63
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 611, r1= 1.30, r2= 2.10, r3= 2.63, r4= 3.15,  /
#
#   20  ADE H2'2    20  ADE H1'  2.52
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 611, r1= 1.30, r2= 2.02, r3= 2.52, r4= 3.02,  /
#
#   20  ADE H2'2    20  ADE H8  2.43
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 614, r1= 1.30, r2= 1.94, r3= 2.43, r4= 2.91,  /
#
#   20  ADE H2'1    21  CYT H5  2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 648, r1= 1.30, r2= 2.36, r3= 2.95, r4= 3.54,  /
#
#   20  ADE H2'1    21  CYT H6  2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 646, r1= 1.30, r2= 2.26, r3= 2.83, r4= 3.39,  /
#
#   20  ADE H3'     20  ADE H1'  2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 611, r1= 1.30, r2= 2.34, r3= 2.92, r4= 3.50,  /
#
#   20  ADE H3'     21  CYT H6  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 646, r1= 1.30, r2= 4.00, r3= 5.00, r4= 6.00,  /
#
#   20  ADE H8      19  GUA H2'2        2.59
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 598, r1= 1.30, r2= 2.07, r3= 2.59, r4= 3.10,  /
#
#   20  ADE H8      19  GUA H8  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 581, r1= 1.30, r2= 4.00, r3= 5.00, r4= 6.00,  /
#
#   20  ADE H8      20  ADE H1'  2.69
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 611, r1= 1.30, r2= 2.15, r3= 2.69, r4= 3.22,  /
#
#   20  ADE H8      20  ADE H2'2 2.27
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 629, r1= 1.30, r2= 1.82, r3= 2.27, r4= 2.72,  /
#
#   20  ADE H8      21  CYT H5  3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 648, r1= 1.30, r2= 3.06, r3= 3.82, r4= 4.58,  /
#
#   21  CYT H1'     21  CYT H2'2 2.55
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 659, r1= 1.30, r2= 2.04, r3= 2.55, r4= 3.06,  /
#
#   21  CYT H1'     21  CYT H2'2 2.29
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 660, r1= 1.30, r2= 1.83, r3= 2.29, r4= 2.75,  /
#
#   21  CYT H1'     21  CYT H6  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 646, r1= 1.30, r2= 2.40, r3= 3.00, r4= 3.60,  /
#
#   21  CYT H2'1    21  CYT H6  2.44
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 646, r1= 1.30, r2= 1.95, r3= 2.44, r4= 2.93,  /
#
#   21  CYT H2'2    21  CYT H6  2.58
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 646, r1= 1.30, r2= 2.06, r3= 2.58, r4= 3.09,  /
#
#   21  CYT H5      20  ADE H1'  3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 648, 611, r1= 1.30, r2= 2.59, r3= 3.24, r4= 3.88,  /
#
#   21  CYT H5      20  ADE H2'1 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 648, 629, r1= 1.30, r2= 2.42, r3= 3.02, r4= 3.62,  /
#
#   21  CYT H5      21  CYT H6  2.31
 &rst
  ixpk= 0, nxpk= 0, iat= 648, 646, r1= 1.30, r2= 1.85, r3= 2.31, r4= 2.77,  /
#
#   21  CYT H6      20  ADE H1'  2.91
 &rst
  ixpk= 0, nxpk= 0, iat= 646, 611, r1= 1.30, r2= 2.33, r3= 2.91, r4= 3.49,  /
#
#   21  CYT H6      20  ADE H2'1 2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 646, 629, r1= 1.30, r2= 2.38, r3= 2.98, r4= 3.57,  /
#
#   21  CYT H6      22  GUA H8  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 646, 676, r1= 1.30, r2= 4.00, r3= 5.00, r4= 6.00,  /
#
#   22  GUA H1'     22  GUA H2'1 2.12
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 692, r1= 1.30, r2= 1.70, r3= 2.12, r4= 2.54,  /
#
#   22  GUA H1'     22  GUA H2'2 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 693, r1= 1.30, r2= 2.40, r3= 3.00, r4= 3.60,  /
#
#   22  GUA H1'     22  GUA H8  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 676, r1= 1.30, r2= 2.40, r3= 3.00, r4= 3.60,  /
#
#   22  GUA H2'1    22  GUA H8  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 676, r1= 1.30, r2= 2.40, r3= 3.00, r4= 3.60,  /
#
#   22  GUA H2'2    22  GUA H8  1.88
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 676, r1= 1.30, r2= 1.50, r3= 1.88, r4= 2.25,  /
#
#    4  CYT C4'      22  GUA C4'    7.00   15.00
 &rst
  ixpk= 0, nxpk= 0, iat=  101,  669, r1= 6.50, r2= 7.00, r3=15.00, r4= 15.50, 
      rk2= 32, rk3=32.0, ir6=1, ialtd=0, /
#
#    4  CYT C4'     21  CYT C4'     8.50   15.00      
 &rst
  ixpk= 0, nxpk= 0, iat=  101,  639, r1= 8.00, r2= 8.50, r3= 15.00, r4= 15.50,  /
#
#    5  GUA C4'     21  CYT C4'     7.00   15.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  131,  639, r1= 6.50, r2= 7.00, r3=15.00, r4= 15.50,  /
#
#    5  GUA C4'      20  ADE C4'    8.50   15.00
 &rst
  ixpk= 0, nxpk= 0, iat=  131,  607, r1= 8.00, r2= 8.50, r3= 15.00, r4= 15.50,  /
#
#    6  THY C4'      20  ADE C4'    7.00   15.00
# &rst
# ixpk= 0, nxpk= 0, iat=  164,  607, r1= 6.50, r2= 7.00, r3=15.00, r4= 15.50,  /
#
#    6  THY C4'      19  GUA C4'    8.50   15.00
 &rst
  ixpk= 0, nxpk= 0, iat=  164,  574, r1= 8.00, r2= 8.50, r3= 15.00, r4= 15.50,  /
#
#    7  ADE C4'      19  GUA C4'    7.00   15.00
 &rst
  ixpk= 0, nxpk= 0, iat=  196,  574, r1= 6.50, r2= 7.00, r3=15.00, r4= 15.50,  /
#
#    7  ADE C4'      18  CYT C4'    8.50   15.00
 &rst
  ixpk= 0, nxpk= 0, iat=  196,  544, r1= 8.00, r2= 8.50, r3= 15.00, r4= 15.50,  /
#
#    8  GUA C4'      18  CYT C4'    7.00   15.00
 &rst
 ixpk= 0, nxpk= 0, iat=  228,  544, r1= 6.50, r2= 7.00, r3=15.00, r4= 15.50,  /
#
#  10   GUA C4'      15  CYT C4'      8.50   15.00
 &rst
 ixpk= 0, nxpk= 0, iat=  293,  450, r1= 8.00, r2= 8.50, r3= 15.00, r4= 15.50,  /
#
#  11   CYT C4'      15  CYT C4'      7.00   15.00
 &rst
 ixpk= 0, nxpk= 0, iat=  326,  450, r1= 6.50, r2= 7.00, r3=15.00, r4= 15.50,  /
#
#  11   CYT C4'      14  ADE C4'      8.50   15.00
 &rst
 ixpk= 0, nxpk= 0, iat=  326,  418, r1= 8.00, r2= 8.50, r3= 15.00, r4= 15.50,  /
#
#   1  CYT  H42    22  GUA  O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 680, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, /
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0, 
#
#   1  CYT  N3     22  GUA  H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  20, 682, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
#   1  CYT  N3     22  GUA  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  20, 681, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
#   1  CYT  N4     22  GUA  O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 680, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
#   1  CYT  O2     22  GUA  H22     1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  22, 686, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
#   2  GUA  H1     21  CYT  N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 653, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
#   2  GUA  H22    21  CYT  O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  53, 655, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
#   2  GUA  N1     21  CYT  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  48, 653, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
#   2  GUA  O6     21  CYT  H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  47, 652, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
#   2  GUA  O6     21  CYT  N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  47, 650, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
#   3  THY  H3     20  ADE  N1      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 621, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  /
#
#   3  THY  N3     20  ADE  N1      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  84, 621, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  /
#
#   3  THY  O4     20  ADE  H61     1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 619, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
#   4  CYT  H42    19  GUA  O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 585, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
#   4  CYT  N3     19  GUA  H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 587, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
#   4  CYT  N3     19  GUA  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 586, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
#   4  CYT  N4     19  GUA  O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 585, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
#   4  CYT  O2     19  GUA  H22     1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 591, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
#   5  GUA  H1     18  CYT  N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 558, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
#   5  GUA  H22    18  CYT  O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 560, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
#   5  GUA  N1     18  CYT  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 558, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
#   5  GUA  O6     18  CYT  H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 557, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
#   5  GUA  O6     18  CYT  N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 555, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
#   7  ADE  H61    16  THY  O4      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 494, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
#   7  ADE  N1     16  THY  H3      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 496, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  /
#
#   7  ADE  N1     16  THY  N3      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 495, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  /
#
#   8  GUA  H1     15  CYT  N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 464, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
#   8  GUA  H22    15  CYT  O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 466, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
#   8  GUA  N1     15  CYT  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 464, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
#   8  GUA  O6     15  CYT  H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 463, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
#   8  GUA  O6     15  CYT  N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 461, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
#   9  THY  H3     14  ADE  N1      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 432, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  /
#
#   9  THY  N3     14  ADE  N1      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 432, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  /
#
#   9  THY  O4     14  ADE  H61     1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 430, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
#  10  GUA  H1     13  CYT  N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 402, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
#  10  GUA  H22    13  CYT  O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 404, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
#  10  GUA  N1     13  CYT  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 402, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
#  10  GUA  O6     13  CYT  H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 401, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
#  10  GUA  O6     13  CYT  N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 399, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
#  11  CYT  H42    12  GUA  O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 366, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
#  11  CYT  N3     12  GUA  H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 368, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
#  11  CYT  N3     12  GUA  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 367, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
#  11  CYT  N4     12  GUA  O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 366, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
#  11  CYT  O2     12  GUA  H22     1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 372, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 695 atoms read from pdb file mTT1611new.pdb.
# 2 GUA ALPHA:  (1 DC5 O3')-(2 DG P)-(2 DG O5')-(2 DG C5') -90.0 -30.0
 &rst     iat =    28,    29,    32,    33,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
   rk2 =   50.0, rk3 =   50.0,    /

# 3 THY ALPHA:  (2 DG O3')-(3 DT P)-(3 DT O5')-(3 DT C5') -90.0 -30.0
 &rst     iat =    61,    62,    65,    66,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 /

# 4 CYT ALPHA:  (3 DT O3')-(4 DC P)-(4 DC O5')-(4 DC C5') -90.0 -30.0
 &rst     iat =    93,    94,    97,    98,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 /
# 9 THY ALPHA:  (8 DG O3')-(9 DT P)-(9 DT O5')-(9 DT C5') -90.0 -30.0
 &rst     iat =   253,   254,   257,   258,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 /

# 10 GUA ALPHA:  (9 DT O3')-(10 DG P)-(10 DG O5')-(10 DG C5') -90.0 -30.0
 &rst     iat =   285,   286,   289,   290,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 /

# 11 CYT ALPHA:  (10 DG O3')-(11 DC3 P)-(11 DC3 O5')-(11 DC3 C5') -90.0 -30.0
 &rst     iat =   318,   319,   322,   323,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 /

# 2 GUA BETA:  (2 DG P)-(2 DG O5')-(2 DG C5')-(2 DG C4')  90.0 240.0
 &rst     iat =    29,    32,    33,    36,
   r1 =  89.0, r2 =  90.0, r3 = 240.0, r4 = 241.0,
 /

# 3 THY BETA:  (3 DT P)-(3 DT O5')-(3 DT C5')-(3 DT C4')  90.0 240.0
 &rst     iat =    62,    65,    66,    69,
   r1 =  89.0, r2 =  90.0, r3 = 240.0, r4 = 241.0,
 /

# 4 CYT BETA:  (4 DC P)-(4 DC O5')-(4 DC C5')-(4 DC C4')  90.0 240.0
 &rst     iat =    94,    97,    98,   101,
   r1 =  89.0, r2 =  90.0, r3 = 240.0, r4 = 241.0,
 /
# 9 THY BETA:  (9 DT P)-(9 DT O5')-(9 DT C5')-(9 DT C4')  90.0 240.0
 &rst     iat =   254,   257,   258,   261,
   r1 =  89.0, r2 =  90.0, r3 = 240.0, r4 = 241.0,
 /

# 10 GUA BETA:  (10 DG P)-(10 DG O5')-(10 DG C5')-(10 DG C4')  90.0 240.0
 &rst     iat =   286,   289,   290,   293,
   r1 =  89.0, r2 =  90.0, r3 = 240.0, r4 = 241.0,
 /

# 11 CYT BETA:  (11 DC3 P)-(11 DC3 O5')-(11 DC3 C5')-(11 DC3 C4')  90.0 240.0
 &rst     iat =   319,   322,   323,   326,
   r1 =  89.0, r2 =  90.0, r3 = 240.0, r4 = 241.0,
 /

# 2 GUA GAMMA:  (2 DG O5')-(2 DG C5')-(2 DG C4')-(2 DG C3')   0.0 120.0
 &rst     iat =    32,    33,    36,    56,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 /

# 3 THY GAMMA:  (3 DT O5')-(3 DT C5')-(3 DT C4')-(3 DT C3')   0.0 120.0
 &rst     iat =    65,    66,    69,    88,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 /

# 4 CYT GAMMA:  (4 DC O5')-(4 DC C5')-(4 DC C4')-(4 DC C3')   0.0 120.0
 &rst     iat =    97,    98,   101,   118,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 /
# 9 THY GAMMA:  (9 DT O5')-(9 DT C5')-(9 DT C4')-(9 DT C3')   0.0 120.0
 &rst     iat =   257,   258,   261,   280,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 /

# 10 GUA GAMMA:  (10 DG O5')-(10 DG C5')-(10 DG C4')-(10 DG C3')   0.0 120.0
 &rst     iat =   289,   290,   293,   313,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 /

# 11 CYT GAMMA:  (11 DC3 O5')-(11 DC3 C5')-(11 DC3 C4')-(11 DC3 C3')   0.0 120.0
 &rst     iat =   322,   323,   326,   343,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 /

# 1 CYT EPSILN:  (1 DC5 C4')-(1 DC5 C3')-(1 DC5 O3')-(2 DG P) -240.0  10.0
 &rst     iat =     6,    23,    28,    29,
   r1 = -241.0, r2 = -240.0, r3 =  10.0, r4 =  11.0,
 /

# 2 GUA EPSILN:  (2 DG C4')-(2 DG C3')-(2 DG O3')-(3 DT P) -240.0  10.0
 &rst     iat =    36,    56,    61,    62,
   r1 = -241.0, r2 = -240.0, r3 =  10.0, r4 =  11.0,
 /

# 3 THY EPSILN:  (3 DT C4')-(3 DT C3')-(3 DT O3')-(4 DC P) -240.0  10.0
 &rst     iat =    69,    88,    93,    94,
   r1 = -241.0, r2 = -240.0, r3 =  10.0, r4 =  11.0,
 /

# 4 CYT EPSILN:  (4 DC C4')-(4 DC C3')-(4 DC O3')-(5 DG P) -240.0  10.0
 &rst     iat =   101,   118,   123,   124,
   r1 = -241.0, r2 = -240.0, r3 =  10.0, r4 =  11.0,
 /
# 9 THY EPSILN:  (9 DT C4')-(9 DT C3')-(9 DT O3')-(10 DG P) -240.0  10.0
 &rst     iat =   261,   280,   285,   286,
   r1 = -241.0, r2 = -240.0, r3 =  10.0, r4 =  11.0,
 /

# 10 GUA EPSILN:  (10 DG C4')-(10 DG C3')-(10 DG O3')-(11 DC3 P) -240.0  10.0
 &rst     iat =   293,   313,   318,   319,
   r1 = -241.0, r2 = -240.0, r3 =  10.0, r4 =  11.0,
 /

# 1 CYT ZETA:  (1 DC5 C3')-(1 DC5 O3')-(2 DG P)-(2 DG O5') 150.0 315.0
 &rst     iat =    23,    28,    29,    32,
   r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
 /

# 2 GUA ZETA:  (2 DG C3')-(2 DG O3')-(3 DT P)-(3 DT O5') 150.0 315.0
 &rst     iat =    56,    61,    62,    65,
   r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
 /

# 3 THY ZETA:  (3 DT C3')-(3 DT O3')-(4 DC P)-(4 DC O5') 150.0 315.0
 &rst     iat =    88,    93,    94,    97,
   r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
 /

# 4 CYT ZETA:  (4 DC C3')-(4 DC O3')-(5 DG P)-(5 DG O5') 150.0 315.0
 &rst     iat =   118,   123,   124,   127,
   r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
 /
# 9 THY ZETA:  (9 DT C3')-(9 DT O3')-(10 DG P)-(10 DG O5') 150.0 315.0
 &rst     iat =   280,   285,   286,   289,
   r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
 /

# 10 GUA ZETA:  (10 DG C3')-(10 DG O3')-(11 DC3 P)-(11 DC3 O5') 150.0 315.0
 &rst     iat =   313,   318,   319,   322,
   r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
 /

# 13 CYT ALPHA:  (12 DG5 O3')-(13 DC P)-(13 DC O5')-(13 DC C5') -90.0 -30.0
 &rst     iat =   380,   381,   384,   385,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 /

# 14 ADE ALPHA:  (13 DC O3')-(14 DA P)-(14 DA O5')-(14 DA C5') -90.0 -30.0
 &rst     iat =   410,   411,   414,   415,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 /

# 15 CYT ALPHA:  (14 DA O3')-(15 DC P)-(15 DC O5')-(15 DC C5') -90.0 -30.0
 &rst     iat =   442,   443,   446,   447,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 /

# 19 GUA ALPHA:  (18 DC O3')-(19 DG P)-(19 DG O5')-(19 DG C5') -90.0 -30.0
 &rst     iat =   566,   567,   570,   571,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 /

# 20 ADE ALPHA:  (19 DG O3')-(20 DA P)-(20 DA O5')-(20 DA C5') -90.0 -30.0
 &rst     iat =   599,   600,   603,   604,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 /

# 21 CYT ALPHA:  (20 DA O3')-(21 DC P)-(21 DC O5')-(21 DC C5') -90.0 -30.0
 &rst     iat =   631,   632,   635,   636,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 /

# 22 GUA ALPHA:  (21 DC O3')-(22 DG3 P)-(22 DG3 O5')-(22 DG3 C5') -90.0 -30.0
 &rst     iat =   661,   662,   665,   666,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 /

# 13 CYT BETA:  (13 DC P)-(13 DC O5')-(13 DC C5')-(13 DC C4')  90.0 240.0
 &rst     iat =   381,   384,   385,   388,
   r1 =  89.0, r2 =  90.0, r3 = 240.0, r4 = 241.0,
 /

# 14 ADE BETA:  (14 DA P)-(14 DA O5')-(14 DA C5')-(14 DA C4')  90.0 240.0
 &rst     iat =   411,   414,   415,   418,
   r1 =  89.0, r2 =  90.0, r3 = 240.0, r4 = 241.0,
 /

# 15 CYT BETA:  (15 DC P)-(15 DC O5')-(15 DC C5')-(15 DC C4')  90.0 240.0
 &rst     iat =   443,   446,   447,   450,
   r1 =  89.0, r2 =  90.0, r3 = 240.0, r4 = 241.0,
 /

# 19 GUA BETA:  (19 DG P)-(19 DG O5')-(19 DG C5')-(19 DG C4')  90.0 240.0
 &rst     iat =   567,   570,   571,   574,
   r1 =  89.0, r2 =  90.0, r3 = 240.0, r4 = 241.0,
 /

# 20 ADE BETA:  (20 DA P)-(20 DA O5')-(20 DA C5')-(20 DA C4')  90.0 240.0
 &rst     iat =   600,   603,   604,   607,
   r1 =  89.0, r2 =  90.0, r3 = 240.0, r4 = 241.0,
 /

# 21 CYT BETA:  (21 DC P)-(21 DC O5')-(21 DC C5')-(21 DC C4')  90.0 240.0
 &rst     iat =   632,   635,   636,   639,
   r1 =  89.0, r2 =  90.0, r3 = 240.0, r4 = 241.0,
 /

# 22 GUA BETA:  (22 DG3 P)-(22 DG3 O5')-(22 DG3 C5')-(22 DG3 C4')  90.0 240.0
 &rst     iat =   662,   665,   666,   669,
   r1 =  89.0, r2 =  90.0, r3 = 240.0, r4 = 241.0,
 /

# 12 GUA GAMMA:  (12 DG5 O5')-(12 DG5 C5')-(12 DG5 C4')-(12 DG5 C3')   0.0 120.0
 &rst     iat =   351,   352,   355,   375,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 /

# 13 CYT GAMMA:  (13 DC O5')-(13 DC C5')-(13 DC C4')-(13 DC C3')   0.0 120.0
 &rst     iat =   384,   385,   388,   405,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 /

# 14 ADE GAMMA:  (14 DA O5')-(14 DA C5')-(14 DA C4')-(14 DA C3')   0.0 120.0
 &rst     iat =   414,   415,   418,   437,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 /

# 15 CYT GAMMA:  (15 DC O5')-(15 DC C5')-(15 DC C4')-(15 DC C3')   0.0 120.0
 &rst     iat =   446,   447,   450,   467,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 /
# 19 GUA GAMMA:  (19 DG O5')-(19 DG C5')-(19 DG C4')-(19 DG C3')   0.0 120.0
 &rst     iat =   570,   571,   574,   594,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 /

# 20 ADE GAMMA:  (20 DA O5')-(20 DA C5')-(20 DA C4')-(20 DA C3')   0.0 120.0
 &rst     iat =   603,   604,   607,   626,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 /

# 21 CYT GAMMA:  (21 DC O5')-(21 DC C5')-(21 DC C4')-(21 DC C3')   0.0 120.0
 &rst     iat =   635,   636,   639,   656,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 /

# 22 GUA GAMMA:  (22 DG3 O5')-(22 DG3 C5')-(22 DG3 C4')-(22 DG3 C3')   0.0 120.0
 &rst     iat =   665,   666,   669,   689,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 /

# 12 GUA EPSILN:  (12 DG5 C4')-(12 DG5 C3')-(12 DG5 O3')-(13 DC P) -240.0  10.0
 &rst     iat =   355,   375,   380,   381,
   r1 = -241.0, r2 = -240.0, r3 =  10.0, r4 =  11.0,
 /

# 13 CYT EPSILN:  (13 DC C4')-(13 DC C3')-(13 DC O3')-(14 DA P) -240.0  10.0
 &rst     iat =   388,   405,   410,   411,
   r1 = -241.0, r2 = -240.0, r3 =  10.0, r4 =  11.0,
 /

# 14 ADE EPSILN:  (14 DA C4')-(14 DA C3')-(14 DA O3')-(15 DC P) -240.0  10.0
 &rst     iat =   418,   437,   442,   443,
   r1 = -241.0, r2 = -240.0, r3 =  10.0, r4 =  11.0,
 /

# 15 CYT EPSILN:  (15 DC C4')-(15 DC C3')-(15 DC O3')-(16 DT P) -240.0  10.0
 &rst     iat =   450,   467,   472,   473,
   r1 = -241.0, r2 = -240.0, r3 =  10.0, r4 =  11.0,
 /

# 19 GUA EPSILN:  (19 DG C4')-(19 DG C3')-(19 DG O3')-(20 DA P) -240.0  10.0
 &rst     iat =   574,   594,   599,   600,
   r1 = -241.0, r2 = -240.0, r3 =  10.0, r4 =  11.0,
 /

# 20 ADE EPSILN:  (20 DA C4')-(20 DA C3')-(20 DA O3')-(21 DC P) -240.0  10.0
 &rst     iat =   607,   626,   631,   632,
   r1 = -241.0, r2 = -240.0, r3 =  10.0, r4 =  11.0,
 /

# 21 CYT EPSILN:  (21 DC C4')-(21 DC C3')-(21 DC O3')-(22 DG3 P) -240.0  10.0
 &rst     iat =   639,   656,   661,   662,
   r1 = -241.0, r2 = -240.0, r3 =  10.0, r4 =  11.0,
 /

# 12 GUA ZETA:  (12 DG5 C3')-(12 DG5 O3')-(13 DC P)-(13 DC O5') 150.0 315.0
 &rst     iat =   375,   380,   381,   384,
   r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
 /

# 13 CYT ZETA:  (13 DC C3')-(13 DC O3')-(14 DA P)-(14 DA O5') 150.0 315.0
 &rst     iat =   405,   410,   411,   414,
   r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
 /

# 14 ADE ZETA:  (14 DA C3')-(14 DA O3')-(15 DC P)-(15 DC O5') 150.0 315.0
 &rst     iat =   437,   442,   443,   446,
   r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
 /

# 18 CYT ZETA:  (18 DC C3')-(18 DC O3')-(19 DG P)-(19 DG O5') 150.0 315.0
 &rst     iat =   561,   566,   567,   570,
   r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
 /

# 19 GUA ZETA:  (19 DG C3')-(19 DG O3')-(20 DA P)-(20 DA O5') 150.0 315.0
 &rst     iat =   594,   599,   600,   603,
   r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
 /
# 20 ADE ZETA:  (20 DA C3')-(20 DA O3')-(21 DC P)-(21 DC O5') 150.0 315.0
 &rst     iat =   626,   631,   632,   635,
   r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
 /

# 21 CYT ZETA:  (21 DC C3')-(21 DC O3')-(22 DG3 P)-(22 DG3 O5') 150.0 315.0
 &rst     iat =   656,   661,   662,   665,
   r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
 /

#(1 DC C4)-(1 DC N4)-(22 DG O6)-(22 DG C6) -10.0 10.0
 &rst     iat =    16,    17,    680,    679,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, 
   rk2 =  100.0, rk3 =  100.0,    /

#(1 DC C2)-(1 DC N3)-(22 DG N1)-(22 DG C2) -10.0 10.0
 &rst     iat =    21,    20,    681,    683,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, 
        /

#(1 DC C2)-(1 DC O2)-(22 DG N2)-(22 DG C2) -10.0 10.0
 &rst     iat =    21,    22,    684,    683,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
 /

#(11 DC C4)-(11 DC N4)-(12 DG O6)-(12 DG C6) -10.0 10.0
 &rst     iat =    336,    337,    366,    365,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, 
        /

#(11 DC C2)-(11 DC N3)-(12 DG N1)-(12 DG C2) -10.0 10.0
 &rst     iat =    341,    340,    367,    369,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,      
        /

#(11 DC C2)-(11 DC O2)-(12 DG N2)-(12 DG C2) -10.0 10.0
 &rst     iat =    341,    342,    370,    369,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
 /
    
#(2 DG C6)-(2 DG 06)-(21 DC N4)-(21 DC C4) -10.0 10.0
 &rst     iat =    46,    47,    650,    649,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
     rk2 =  50.0, rk3 =  50.0,    /  
        

#(2 DG C2)-(2 DG N1)-(21 DC N3)-(21 DC C2) -10.0 10.0
 &rst     iat =    50,    48,    653,    654,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,       
        /

#(2 DG C2)-(2 DG N2)-(21 DC O2)-(21 DC C2) -10.0 10.0
 &rst     iat =    50,    51,    655,    654,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
 /

#(3 DT C4)-(3 DT O4)-(20 DA N6)-(20 DA C6) -10.0 10.0
 &rst     iat =    82,    83,    618,    617,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
   rk2 =  50.0, rk3 =  50.0,    
        /

#(3 DT C2)-(3 DT N3)-(20 DA N1)-(20 DA C2) -10.0 10.0
 &rst     iat =    86,    84,    621,    622,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, 
        /


#(4 DC C4)-(4 DC N4)-(19 DG O6)-(19 DG C6) -10.0 10.0
 &rst     iat =    111,    112,    585,    584,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,  
        /

#(4 DC C2)-(4 DC N3)-(19 DG N1)-(19 DG C2) -10.0 10.0
 &rst     iat =    116,    115,    586,    588,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,       
        /

#(4 DC C2)-(4 DC O2)-(19 DG N2)-(19 DG C2) -10.0 10.0
 &rst     iat =    116,    117,    589,    588,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
 /
 
#(8 DG C6)-(8 DG 06)-(15 DC N4)-(15 DC C4) -10.0 10.0
 &rst     iat =    238,    239,    461,    460,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,  
        /

#(8 DG C2)-(8 DG N1)-(15 DC N3)-(15 DC C2) -10.0 10.0
 &rst     iat =    242,    240,    464,    465,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,       
        /

#(8 DG C2)-(8 DG N2)-(15 DC O2)-(15 DC C2) -10.0 10.0
 &rst     iat =    242,    243,    466,    465,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
 /   

#(9 DT C4)-(9 DT O4)-(14 DA N6)-(14 DA C6) -10.0 10.0
 &rst     iat =    274,    275,    429,    428,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
   rk2 =  50.0, rk3 =  50.0,    
        /

#(9 DT C2)-(9 DT N3)-(14 DA N1)-(14 DA C2) -10.0 10.0
 &rst     iat =    278,    276,    432,    433,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, 
        /

#(10 DG C6)-(10 DG 06)-(13 DC N4)-(13 DC C4) -10.0 10.0
 &rst     iat =    303,    304,    399,    398,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,  
        /

#(10 DG C2)-(10 DG N1)-(13 DC N3)-(13 DC C2) -10.0 10.0
 &rst     iat =    307,    305,    402,    403,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,       
        /

#(10 DG C2)-(10 DG N2)-(13 DC O2)-(13 DC C2) -10.0 10.0
 &rst     iat =    307,    308,    404,    403,
   r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
 /   

# 1 CYT NU0:  (1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2') -52.6 -22.6
 &rst     iat =     6,     8,     9,    25,
   r1 = -53.6, r2 = -52.6, r3 = -22.6, r4 = -21.6,
 /

# 1 CYT NU1:  (1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3')  13.9  43.9
 &rst     iat =     8,     9,    25,    23,
   r1 =  12.9, r2 =  13.9, r3 =  43.9, r4 =  44.9,
 /

# 1 CYT NU2:  (1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4') -24.6   5.4
 &rst     iat =     9,    25,    23,     6,
   r1 = -25.6, r2 = -24.6, r3 =   5.4, r4 =   6.4,
 /

# 1 CYT NU3:  (1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4') -28.3   1.7
 &rst     iat =    25,    23,     6,     8,
   r1 = -29.3, r2 = -28.3, r3 =   1.7, r4 =   2.7,
 /

# 1 CYT NU4:  (1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1')  16.2  46.2
 &rst     iat =    23,     6,     8,     9,
   r1 =  15.2, r2 =  16.2, r3 =  46.2, r4 =  47.2,
 /

# 2 GUA NU0:  (2 DG C4')-(2 DG O4')-(2 DG C1')-(2 DG C2') -40.4 -10.4
 &rst     iat =    36,    38,    39,    58,
   r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 =  -9.4,
 /

# 2 GUA NU1:  (2 DG O4')-(2 DG C1')-(2 DG C2')-(2 DG C3')  21.6  51.6
 &rst     iat =    38,    39,    58,    56,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /

# 2 GUA NU2:  (2 DG C1')-(2 DG C2')-(2 DG C3')-(2 DG C4') -48.7 -18.7
 &rst     iat =    39,    58,    56,    36,
   r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
 /

# 2 GUA NU3:  (2 DG C2')-(2 DG C3')-(2 DG C4')-(2 DG O4')   3.0  33.0
 &rst     iat =    58,    56,    36,    38,
   r1 =   2.0, r2 =   3.0, r3 =  33.0, r4 =  34.0,
 /

# 2 GUA NU4:  (2 DG C3')-(2 DG C4')-(2 DG O4')-(2 DG C1') -10.4  19.6
 &rst     iat =    56,    36,    38,    39,
   r1 = -11.4, r2 = -10.4, r3 =  19.6, r4 =  20.6,
 /

# 3 THY NU0:  (3 DT C4')-(3 DT O4')-(3 DT C1')-(3 DT C2') -40.4 -10.4
 &rst     iat =    69,    71,    72,    90,
   r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 =  -9.4,
 /

# 3 THY NU1:  (3 DT O4')-(3 DT C1')-(3 DT C2')-(3 DT C3')  21.6  51.6
 &rst     iat =    71,    72,    90,    88,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /

# 3 THY NU2:  (3 DT C1')-(3 DT C2')-(3 DT C3')-(3 DT C4') -48.7 -18.7
 &rst     iat =    72,    90,    88,    69,
   r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
 /

# 3 THY NU3:  (3 DT C2')-(3 DT C3')-(3 DT C4')-(3 DT O4')   3.0  33.0
 &rst     iat =    90,    88,    69,    71,
   r1 =   2.0, r2 =   3.0, r3 =  33.0, r4 =  34.0,
 /

# 3 THY NU4:  (3 DT C3')-(3 DT C4')-(3 DT O4')-(3 DT C1') -10.4  19.6
 &rst     iat =    88,    69,    71,    72,
   r1 = -11.4, r2 = -10.4, r3 =  19.6, r4 =  20.6,
 /

# 4 CYT NU0:  (4 DC C4')-(4 DC O4')-(4 DC C1')-(4 DC C2') -40.4 -10.4
 &rst     iat =   101,   103,   104,   120,
   r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 =  -9.4,
 /

# 4 CYT NU1:  (4 DC O4')-(4 DC C1')-(4 DC C2')-(4 DC C3')  21.6  51.6
 &rst     iat =   103,   104,   120,   118,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /

# 4 CYT NU2:  (4 DC C1')-(4 DC C2')-(4 DC C3')-(4 DC C4') -48.7 -18.7
 &rst     iat =   104,   120,   118,   101,
   r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
 /

# 4 CYT NU3:  (4 DC C2')-(4 DC C3')-(4 DC C4')-(4 DC O4')   3.0  33.0
 &rst     iat =   120,   118,   101,   103,
   r1 =   2.0, r2 =   3.0, r3 =  33.0, r4 =  34.0,
 /

# 4 CYT NU4:  (4 DC C3')-(4 DC C4')-(4 DC O4')-(4 DC C1') -10.4  19.6
 &rst     iat =   118,   101,   103,   104,
   r1 = -11.4, r2 = -10.4, r3 =  19.6, r4 =  20.6,
 /

# 5 GUA NU0:  (5 DG C4')-(5 DG O4')-(5 DG C1')-(5 DG C2') -40.4 -10.4
 &rst     iat =   131,   133,   134,   153,
   r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 =  -9.4,
 /

# 5 GUA NU1:  (5 DG O4')-(5 DG C1')-(5 DG C2')-(5 DG C3')  21.6  51.6
 &rst     iat =   133,   134,   153,   151,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /

# 5 GUA NU2:  (5 DG C1')-(5 DG C2')-(5 DG C3')-(5 DG C4') -48.7 -18.7
 &rst     iat =   134,   153,   151,   131,
   r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
 /

# 5 GUA NU3:  (5 DG C2')-(5 DG C3')-(5 DG C4')-(5 DG O4')   3.0  33.0
 &rst     iat =   153,   151,   131,   133,
   r1 =   2.0, r2 =   3.0, r3 =  33.0, r4 =  34.0,
 /

# 5 GUA NU4:  (5 DG C3')-(5 DG C4')-(5 DG O4')-(5 DG C1') -10.4  19.6
 &rst     iat =   151,   131,   133,   134,
   r1 = -11.4, r2 = -10.4, r3 =  19.6, r4 =  20.6,
 /

# 7 ADE NU0:  (7 DA C4')-(7 DA O4')-(7 DA C1')-(7 DA C2') -40.4 -10.4
 &rst     iat =   196,   198,   199,   217,
   r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 =  -9.4,
 /

# 7 ADE NU1:  (7 DA O4')-(7 DA C1')-(7 DA C2')-(7 DA C3')  21.6  51.6
 &rst     iat =   198,   199,   217,   215,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /

# 7 ADE NU2:  (7 DA C1')-(7 DA C2')-(7 DA C3')-(7 DA C4') -48.7 -18.7
 &rst     iat =   199,   217,   215,   196,
   r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
 /

# 7 ADE NU3:  (7 DA C2')-(7 DA C3')-(7 DA C4')-(7 DA O4')   3.0  33.0
 &rst     iat =   217,   215,   196,   198,
   r1 =   2.0, r2 =   3.0, r3 =  33.0, r4 =  34.0,
 /

# 7 ADE NU4:  (7 DA C3')-(7 DA C4')-(7 DA O4')-(7 DA C1') -10.4  19.6
 &rst     iat =   215,   196,   198,   199,
   r1 = -11.4, r2 = -10.4, r3 =  19.6, r4 =  20.6,
 /

# 8 GUA NU0:  (8 DG C4')-(8 DG O4')-(8 DG C1')-(8 DG C2') -40.4 -10.4
 &rst     iat =   228,   230,   231,   250,
   r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 =  -9.4,
 /

# 8 GUA NU1:  (8 DG O4')-(8 DG C1')-(8 DG C2')-(8 DG C3')  21.6  51.6
 &rst     iat =   230,   231,   250,   248,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /

# 8 GUA NU2:  (8 DG C1')-(8 DG C2')-(8 DG C3')-(8 DG C4') -48.7 -18.7
 &rst     iat =   231,   250,   248,   228,
   r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
 /

# 8 GUA NU3:  (8 DG C2')-(8 DG C3')-(8 DG C4')-(8 DG O4')   3.0  33.0
 &rst     iat =   250,   248,   228,   230,
   r1 =   2.0, r2 =   3.0, r3 =  33.0, r4 =  34.0,
 /

# 8 GUA NU4:  (8 DG C3')-(8 DG C4')-(8 DG O4')-(8 DG C1') -10.4  19.6
 &rst     iat =   248,   228,   230,   231,
   r1 = -11.4, r2 = -10.4, r3 =  19.6, r4 =  20.6,
 /

# 9 THY NU0:  (9 DT C4')-(9 DT O4')-(9 DT C1')-(9 DT C2') -40.4 -10.4
 &rst     iat =   261,   263,   264,   282,
   r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 =  -9.4,
 /

# 9 THY NU1:  (9 DT O4')-(9 DT C1')-(9 DT C2')-(9 DT C3')  21.6  51.6
 &rst     iat =   263,   264,   282,   280,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /

# 9 THY NU2:  (9 DT C1')-(9 DT C2')-(9 DT C3')-(9 DT C4') -48.7 -18.7
 &rst     iat =   264,   282,   280,   261,
   r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
 /

# 9 THY NU3:  (9 DT C2')-(9 DT C3')-(9 DT C4')-(9 DT O4')   3.0  33.0
 &rst     iat =   282,   280,   261,   263,
   r1 =   2.0, r2 =   3.0, r3 =  33.0, r4 =  34.0,
 /

# 9 THY NU4:  (9 DT C3')-(9 DT C4')-(9 DT O4')-(9 DT C1') -10.4  19.6
 &rst     iat =   280,   261,   263,   264,
   r1 = -11.4, r2 = -10.4, r3 =  19.6, r4 =  20.6,
 /

# 10 GUA NU0:  (10 DG C4')-(10 DG O4')-(10 DG C1')-(10 DG C2') -40.4 -10.4
 &rst     iat =   293,   295,   296,   315,
   r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 =  -9.4,
 /

# 10 GUA NU1:  (10 DG O4')-(10 DG C1')-(10 DG C2')-(10 DG C3')  21.6  51.6
 &rst     iat =   295,   296,   315,   313,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /

# 10 GUA NU2:  (10 DG C1')-(10 DG C2')-(10 DG C3')-(10 DG C4') -48.7 -18.7
 &rst     iat =   296,   315,   313,   293,
   r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
 /

# 10 GUA NU3:  (10 DG C2')-(10 DG C3')-(10 DG C4')-(10 DG O4')   3.0  33.0
 &rst     iat =   315,   313,   293,   295,
   r1 =   2.0, r2 =   3.0, r3 =  33.0, r4 =  34.0,
 /

# 10 GUA NU4:  (10 DG C3')-(10 DG C4')-(10 DG O4')-(10 DG C1') -10.4  19.6
 &rst     iat =   313,   293,   295,   296,
   r1 = -11.4, r2 = -10.4, r3 =  19.6, r4 =  20.6,
 /

# 11 CYT NU0:  (11 DC3 C4')-(11 DC3 O4')-(11 DC3 C1')-(11 DC3 C2') -40.4 -10.4
 &rst     iat =   326,   328,   329,   345,
   r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 =  -9.4,
 /

# 11 CYT NU1:  (11 DC3 O4')-(11 DC3 C1')-(11 DC3 C2')-(11 DC3 C3')  21.6  51.6
 &rst     iat =   328,   329,   345,   343,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /

# 11 CYT NU2:  (11 DC3 C1')-(11 DC3 C2')-(11 DC3 C3')-(11 DC3 C4') -48.7 -18.7
 &rst     iat =   329,   345,   343,   326,
   r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
 /

# 11 CYT NU3:  (11 DC3 C2')-(11 DC3 C3')-(11 DC3 C4')-(11 DC3 O4')   3.0  33.0
 &rst     iat =   345,   343,   326,   328,
   r1 =   2.0, r2 =   3.0, r3 =  33.0, r4 =  34.0,
 /

# 11 CYT NU4:  (11 DC3 C3')-(11 DC3 C4')-(11 DC3 O4')-(11 DC3 C1') -10.4  19.6
 &rst     iat =   343,   326,   328,   329,
   r1 = -11.4, r2 = -10.4, r3 =  19.6, r4 =  20.6,
 /

# 12 GUA NU0:  (12 DG5 C4')-(12 DG5 O4')-(12 DG5 C1')-(12 DG5 C2') -40.4 -10.4
 &rst     iat =   355,   357,   358,   377,
   r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 =  -9.4,
 /

# 12 GUA NU1:  (12 DG5 O4')-(12 DG5 C1')-(12 DG5 C2')-(12 DG5 C3')  21.6  51.6
 &rst     iat =   357,   358,   377,   375,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /

# 12 GUA NU2:  (12 DG5 C1')-(12 DG5 C2')-(12 DG5 C3')-(12 DG5 C4') -48.7 -18.7
 &rst     iat =   358,   377,   375,   355,
   r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
 /

# 12 GUA NU3:  (12 DG5 C2')-(12 DG5 C3')-(12 DG5 C4')-(12 DG5 O4')   3.0  33.0
 &rst     iat =   377,   375,   355,   357,
   r1 =   2.0, r2 =   3.0, r3 =  33.0, r4 =  34.0,
 /

# 12 GUA NU4:  (12 DG5 C3')-(12 DG5 C4')-(12 DG5 O4')-(12 DG5 C1') -10.4  19.6
 &rst     iat =   375,   355,   357,   358,
   r1 = -11.4, r2 = -10.4, r3 =  19.6, r4 =  20.6,
 /

# 13 CYT NU0:  (13 DC C4')-(13 DC O4')-(13 DC C1')-(13 DC C2') -40.4 -10.4
 &rst     iat =   388,   390,   391,   407,
   r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 =  -9.4,
 /

# 13 CYT NU1:  (13 DC O4')-(13 DC C1')-(13 DC C2')-(13 DC C3')  21.6  51.6
 &rst     iat =   390,   391,   407,   405,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /

# 13 CYT NU2:  (13 DC C1')-(13 DC C2')-(13 DC C3')-(13 DC C4') -48.7 -18.7
 &rst     iat =   391,   407,   405,   388,
   r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
 /

# 13 CYT NU3:  (13 DC C2')-(13 DC C3')-(13 DC C4')-(13 DC O4')   3.0  33.0
 &rst     iat =   407,   405,   388,   390,
   r1 =   2.0, r2 =   3.0, r3 =  33.0, r4 =  34.0,
 /

# 13 CYT NU4:  (13 DC C3')-(13 DC C4')-(13 DC O4')-(13 DC C1') -10.4  19.6
 &rst     iat =   405,   388,   390,   391,
   r1 = -11.4, r2 = -10.4, r3 =  19.6, r4 =  20.6,
 /

# 14 ADE NU0:  (14 DA C4')-(14 DA O4')-(14 DA C1')-(14 DA C2') -40.4 -10.4
 &rst     iat =   418,   420,   421,   439,
   r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 =  -9.4,
 /

# 14 ADE NU1:  (14 DA O4')-(14 DA C1')-(14 DA C2')-(14 DA C3')  21.6  51.6
 &rst     iat =   420,   421,   439,   437,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /

# 14 ADE NU2:  (14 DA C1')-(14 DA C2')-(14 DA C3')-(14 DA C4') -48.7 -18.7
 &rst     iat =   421,   439,   437,   418,
   r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
 /

# 14 ADE NU3:  (14 DA C2')-(14 DA C3')-(14 DA C4')-(14 DA O4')   3.0  33.0
 &rst     iat =   439,   437,   418,   420,
   r1 =   2.0, r2 =   3.0, r3 =  33.0, r4 =  34.0,
 /

# 14 ADE NU4:  (14 DA C3')-(14 DA C4')-(14 DA O4')-(14 DA C1') -10.4  19.6
 &rst     iat =   437,   418,   420,   421,
   r1 = -11.4, r2 = -10.4, r3 =  19.6, r4 =  20.6,
 /

# 15 CYT NU0:  (15 DC C4')-(15 DC O4')-(15 DC C1')-(15 DC C2') -40.4 -10.4
 &rst     iat =   450,   452,   453,   469,
   r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 =  -9.4,
 /

# 15 CYT NU1:  (15 DC O4')-(15 DC C1')-(15 DC C2')-(15 DC C3')  21.6  51.6
 &rst     iat =   452,   453,   469,   467,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /

# 15 CYT NU2:  (15 DC C1')-(15 DC C2')-(15 DC C3')-(15 DC C4') -48.7 -18.7
 &rst     iat =   453,   469,   467,   450,
   r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
 /

# 15 CYT NU3:  (15 DC C2')-(15 DC C3')-(15 DC C4')-(15 DC O4')   3.0  33.0
 &rst     iat =   469,   467,   450,   452,
   r1 =   2.0, r2 =   3.0, r3 =  33.0, r4 =  34.0,
 /

# 15 CYT NU4:  (15 DC C3')-(15 DC C4')-(15 DC O4')-(15 DC C1') -10.4  19.6
 &rst     iat =   467,   450,   452,   453,
   r1 = -11.4, r2 = -10.4, r3 =  19.6, r4 =  20.6,
 /

# 16 THY NU0:  (16 DT C4')-(16 DT O4')-(16 DT C1')-(16 DT C2') -40.4 -10.4
 &rst     iat =   480,   482,   483,   501,
   r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 =  -9.4,
 /

# 16 THY NU1:  (16 DT O4')-(16 DT C1')-(16 DT C2')-(16 DT C3')  21.6  51.6
 &rst     iat =   482,   483,   501,   499,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /

# 16 THY NU2:  (16 DT C1')-(16 DT C2')-(16 DT C3')-(16 DT C4') -48.7 -18.7
 &rst     iat =   483,   501,   499,   480,
   r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
 /

# 16 THY NU3:  (16 DT C2')-(16 DT C3')-(16 DT C4')-(16 DT O4')   3.0  33.0
 &rst     iat =   501,   499,   480,   482,
   r1 =   2.0, r2 =   3.0, r3 =  33.0, r4 =  34.0,
 /

# 16 THY NU4:  (16 DT C3')-(16 DT C4')-(16 DT O4')-(16 DT C1') -10.4  19.6
 &rst     iat =   499,   480,   482,   483,
   r1 = -11.4, r2 = -10.4, r3 =  19.6, r4 =  20.6,
 /

# 18 CYT NU0:  (18 DC C4')-(18 DC O4')-(18 DC C1')-(18 DC C2') -40.4 -10.4
 &rst     iat =   544,   546,   547,   563,
   r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 =  -9.4,
 /

# 18 CYT NU1:  (18 DC O4')-(18 DC C1')-(18 DC C2')-(18 DC C3')  21.6  51.6
 &rst     iat =   546,   547,   563,   561,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /

# 18 CYT NU2:  (18 DC C1')-(18 DC C2')-(18 DC C3')-(18 DC C4') -48.7 -18.7
 &rst     iat =   547,   563,   561,   544,
   r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
 /

# 18 CYT NU3:  (18 DC C2')-(18 DC C3')-(18 DC C4')-(18 DC O4')   3.0  33.0
 &rst     iat =   563,   561,   544,   546,
   r1 =   2.0, r2 =   3.0, r3 =  33.0, r4 =  34.0,
 /

# 18 CYT NU4:  (18 DC C3')-(18 DC C4')-(18 DC O4')-(18 DC C1') -10.4  19.6
 &rst     iat =   561,   544,   546,   547,
   r1 = -11.4, r2 = -10.4, r3 =  19.6, r4 =  20.6,
 /

# 19 GUA NU0:  (19 DG C4')-(19 DG O4')-(19 DG C1')-(19 DG C2') -40.4 -10.4
 &rst     iat =   574,   576,   577,   596,
   r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 =  -9.4,
 /

# 19 GUA NU1:  (19 DG O4')-(19 DG C1')-(19 DG C2')-(19 DG C3')  21.6  51.6
 &rst     iat =   576,   577,   596,   594,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /

# 19 GUA NU2:  (19 DG C1')-(19 DG C2')-(19 DG C3')-(19 DG C4') -48.7 -18.7
 &rst     iat =   577,   596,   594,   574,
   r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
 /

# 19 GUA NU3:  (19 DG C2')-(19 DG C3')-(19 DG C4')-(19 DG O4')   3.0  33.0
 &rst     iat =   596,   594,   574,   576,
   r1 =   2.0, r2 =   3.0, r3 =  33.0, r4 =  34.0,
 /

# 19 GUA NU4:  (19 DG C3')-(19 DG C4')-(19 DG O4')-(19 DG C1') -10.4  19.6
 &rst     iat =   594,   574,   576,   577,
   r1 = -11.4, r2 = -10.4, r3 =  19.6, r4 =  20.6,
 /

# 20 ADE NU0:  (20 DA C4')-(20 DA O4')-(20 DA C1')-(20 DA C2') -40.4 -10.4
 &rst     iat =   607,   609,   610,   628,
   r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 =  -9.4,
 /

# 20 ADE NU1:  (20 DA O4')-(20 DA C1')-(20 DA C2')-(20 DA C3')  21.6  51.6
 &rst     iat =   609,   610,   628,   626,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /

# 20 ADE NU2:  (20 DA C1')-(20 DA C2')-(20 DA C3')-(20 DA C4') -48.7 -18.7
 &rst     iat =   610,   628,   626,   607,
   r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
 /

# 20 ADE NU3:  (20 DA C2')-(20 DA C3')-(20 DA C4')-(20 DA O4')   3.0  33.0
 &rst     iat =   628,   626,   607,   609,
   r1 =   2.0, r2 =   3.0, r3 =  33.0, r4 =  34.0,
 /

# 20 ADE NU4:  (20 DA C3')-(20 DA C4')-(20 DA O4')-(20 DA C1') -10.4  19.6
 &rst     iat =   626,   607,   609,   610,
   r1 = -11.4, r2 = -10.4, r3 =  19.6, r4 =  20.6,
 /

# 21 CYT NU0:  (21 DC C4')-(21 DC O4')-(21 DC C1')-(21 DC C2') -40.4 -10.4
 &rst     iat =   639,   641,   642,   658,
   r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 =  -9.4,
 /

# 21 CYT NU1:  (21 DC O4')-(21 DC C1')-(21 DC C2')-(21 DC C3')  21.6  51.6
 &rst     iat =   641,   642,   658,   656,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /

# 21 CYT NU2:  (21 DC C1')-(21 DC C2')-(21 DC C3')-(21 DC C4') -48.7 -18.7
 &rst     iat =   642,   658,   656,   639,
   r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
 /

# 21 CYT NU3:  (21 DC C2')-(21 DC C3')-(21 DC C4')-(21 DC O4')   3.0  33.0
 &rst     iat =   658,   656,   639,   641,
   r1 =   2.0, r2 =   3.0, r3 =  33.0, r4 =  34.0,
 /

# 21 CYT NU4:  (21 DC C3')-(21 DC C4')-(21 DC O4')-(21 DC C1') -10.4  19.6
 &rst     iat =   656,   639,   641,   642,
   r1 = -11.4, r2 = -10.4, r3 =  19.6, r4 =  20.6,
 /
# 22 GUA NU0:  (22 DG3 C4')-(22 DG3 O4')-(22 DG3 C1')-(22 DG3 C2') -52.6 -22.6
 &rst     iat =   669,   671,   672,   691,
   r1 = -53.6, r2 = -52.6, r3 = -22.6, r4 = -21.6,
 /

# 22 GUA NU1:  (22 DG3 O4')-(22 DG3 C1')-(22 DG3 C2')-(22 DG3 C3')  13.9  43.9
 &rst     iat =   671,   672,   691,   689,
   r1 =  12.9, r2 =  13.9, r3 =  43.9, r4 =  44.9,
 /

# 22 GUA NU2:  (22 DG3 C1')-(22 DG3 C2')-(22 DG3 C3')-(22 DG3 C4') -24.6   5.4
 &rst     iat =   672,   691,   689,   669,
   r1 = -25.6, r2 = -24.6, r3 =   5.4, r4 =   6.4,
 /

# 22 GUA NU3:  (22 DG3 C2')-(22 DG3 C3')-(22 DG3 C4')-(22 DG3 O4') -28.3   1.7
 &rst     iat =   691,   689,   669,   671,
   r1 = -29.3, r2 = -28.3, r3 =   1.7, r4 =   2.7,
 /

# 22 GUA NU4:  (22 DG3 C3')-(22 DG3 C4')-(22 DG3 O4')-(22 DG3 C1')  16.2  46.2
 &rst     iat =   689,   669,   671,   672,
   r1 =  15.2, r2 =  16.2, r3 =  46.2, r4 =  47.2,
 /    







  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H5'   DC   1           H5'       DC   1  16.874  12.231  17.664
    2   H5''   DC   1          H5''       DC   1  15.964  13.273  18.772
    3    H4'   DC   1           H4'       DC   1  16.497  10.891  19.572
    4    H3'   DC   1           H3'       DC   1  16.208  13.211  21.099
    5    H2'   DC   1           H2'       DC   1  18.596  13.610  21.295
    6   H2''   DC   1          H2''       DC   1  18.269  12.605  22.746
    7    H1'   DC   1           H1'       DC   1  18.820  10.591  21.627
    8    H41   DC   1           H41       DC   1  24.952  12.478  20.229
    9    H42   DC   1           H42       DC   1  24.939  10.727  20.533
   10    H5    DC   1           H5        DC   1  22.985  13.803  20.280
   11    H6    DC   1           H6        DC   1  20.545  13.726  20.539
   12   HO5'   DC   1          HO5'       DC   1  18.753  13.298  18.275
   13    H5'   DG   2           H5'       DG   2  16.042   8.641  22.738
   14   H5''   DG   2          H5''       DG   2  14.472   7.989  23.247
   15    H4'   DG   2           H4'       DG   2  15.303   7.662  25.326
   16    H3'   DG   2           H3'       DG   2  14.808  10.378  25.562
   17    H2'   DG   2          H2''       DG   2  16.929  10.935  24.531
   18   H2''   DG   2          H2'        DG   2  17.281  11.124  26.281
   19    H1'   DG   2           H1'       DG   2  18.073   8.855  26.437
   20    H8    DG   2           H8        DG   2  18.971  11.627  24.222
   21    H1    DG   2           H1        DG   2  23.588   7.157  24.744
   22    H21   DG   2           H21       DG   2  20.954   5.297  25.961
   23    H22   DG   2           H22       DG   2  22.677   5.298  25.534
   24    H5'   DT   3           H5'       DT   3  15.625   6.598  27.582
   25   H5''   DT   3          H5''       DT   3  14.922   5.785  28.995
   26    H4'   DT   3           H4'       DT   3  17.152   5.539  29.496
   27    H3'   DT   3           H3'       DT   3  15.924   7.546  31.029
   28    H2'   DT   3          H2''       DT   3  16.954   9.288  29.669
   29   H2''   DT   3          H2'        DT   3  18.068   9.169  31.078
   30    H1'   DT   3           H1'       DT   3  19.285   7.359  29.957
   31    H3    DT   3           H3        DT   3  22.763   9.056  27.842
   32    H71   DT   3           H71       DT   3  20.404  12.844  26.556
   33    H72   DT   3           H72       DT   3  19.688  13.053  28.172
   34    H73   DT   3           H73       DT   3  18.702  12.408  26.839
   35    H6    DT   3           H6        DT   3  18.168  10.457  28.236
   36    H5'   DC   4           H5'       DC   4  19.602   4.604  32.535
   37   H5''   DC   4          H5''       DC   4  19.339   3.772  34.078
   38    H4'   DC   4           H4'       DC   4  21.230   4.928  34.645
   39    H3'   DC   4           H3'       DC   4  18.928   6.233  35.643
   40    H2'   DC   4           H2'       DC   4  19.110   8.053  34.116
   41   H2''   DC   4          H2''       DC   4  20.147   8.651  35.449
   42    H1'   DC   4           H1'       DC   4  22.119   7.759  34.453
   43    H41   DC   4           H41       DC   4  21.723  12.398  29.949
   44    H42   DC   4           H42       DC   4  23.365  11.787  29.949
   45    H5    DC   4           H5        DC   4  19.921  11.190  30.977
   46    H6    DC   4           H6        DC   4  19.419   9.429  32.620
   47    H5'   DG   5           H5'       DG   5  23.325   6.817  36.768
   48   H5''   DG   5          H5''       DG   5  23.313   6.549  38.518
   49    H4'   DG   5           H4'       DG   5  25.336   7.653  38.182
   50    H3'   DG   5           H3'       DG   5  23.450   9.030  39.624
   51    H2'   DG   5           H2'       DG   5  22.658  10.387  37.857
   52   H2''   DG   5          H2''       DG   5  23.956  11.444  38.497
   53    H1'   DG   5           H1'       DG   5  25.492  10.783  36.880
   54    H8    DG   5           H8        DG   5  21.854   9.996  35.657
   55    H1    DG   5           H1        DG   5  25.349  14.164  32.197
   56    H21   DG   5           H21       DG   5  27.918  12.872  34.121
   57    H22   DG   5           H22       DG   5  27.450  13.994  32.840
   58    H5'   DT   6           H5'       DT   6  27.352  11.117  38.738
   59   H5''   DT   6          H5''       DT   6  28.035  11.941  40.145
   60    H4'   DT   6           H4'       DT   6  28.678  13.198  38.245
   61    H3'   DT   6           H3'       DT   6  26.306  14.493  39.604
   62    H2'   DT   6           H2'       DT   6  26.496  16.258  38.091
   63   H2''   DT   6          H2''       DT   6  28.235  15.945  37.800
   64    H1'   DT   6           H1'       DT   6  27.677  14.647  36.020
   65    H3    DT   6           H3        DT   6  24.356  17.261  34.244
   66    H71   DT   6           H71       DT   6  21.917  14.218  37.802
   67    H72   DT   6           H72       DT   6  21.085  14.707  36.306
   68    H73   DT   6           H73       DT   6  21.937  13.146  36.381
   69    H6    DT   6           H6        DT   6  24.466  13.502  37.269
   70    H5'   DA   7          H5''       DA   7  29.956  16.781  39.106
   71   H5''   DA   7          H5'        DA   7  30.457  17.450  40.672
   72    H4'   DA   7           H4'       DA   7  30.928  18.944  38.701
   73    H3'   DA   7           H3'       DA   7  30.175  19.821  41.175
   74    H2'   DA   7           H2'       DA   7  27.795  19.770  40.681
   75   H2''   DA   7          H2''       DA   7  28.223  21.489  40.381
   76    H1'   DA   7           H1'       DA   7  28.535  21.141  38.058
   77    H8    DA   7           H8        DA   7  25.624  20.485  40.021
   78    H61   DA   7           H61       DA   7  22.466  20.224  36.182
   79    H62   DA   7           H62       DA   7  22.843  19.937  34.486
   80    H2    DA   7           H2        DA   7  26.942  19.132  33.870
   81    H5'   DG   8           H5'       DG   8  28.135  24.133  40.230
   82   H5''   DG   8          H5''       DG   8  29.196  23.477  38.965
   83    H4'   DG   8           H4'       DG   8  30.786  25.246  39.230
   84    H3'   DG   8           H3'       DG   8  30.423  25.203  41.894
   85    H2'   DG   8           H2'       DG   8  28.239  25.940  42.089
   86   H2''   DG   8          H2''       DG   8  28.997  27.554  42.013
   87    H1'   DG   8           H1'       DG   8  28.168  27.956  40.001
   88    H8    DG   8           H8        DG   8  26.094  26.136  42.004
   89    H1    DG   8           H1        DG   8  23.543  26.703  36.138
   90    H21   DG   8           H21       DG   8  26.781  26.738  35.070
   91    H22   DG   8           H22       DG   8  25.086  26.954  34.693
   92    H5'   DT   9           H5'       DT   9  30.604  28.456  38.939
   93   H5''   DT   9          H5''       DT   9  31.877  29.660  39.223
   94    H4'   DT   9           H4'       DT   9  30.287  30.808  37.943
   95    H3'   DT   9           H3'       DT   9  30.736  31.791  40.482
   96    H2'   DT   9           H2'       DT   9  28.753  30.690  41.429
   97   H2''   DT   9          H2''       DT   9  28.152  32.337  41.034
   98    H1'   DT   9           H1'       DT   9  27.405  31.672  38.870
   99    H3    DT   9           H3        DT   9  23.432  29.707  38.923
  100    H71   DT   9           H71       DT   9  25.891  27.821  43.166
  101    H72   DT   9           H72       DT   9  24.217  28.394  43.362
  102    H73   DT   9           H73       DT   9  25.578  29.489  43.703
  103    H6    DT   9           H6        DT   9  27.302  29.369  41.750
  104    H5'   DG  10           H5'       DG  10  28.063  34.427  37.378
  105   H5''   DG  10          H5''       DG  10  28.725  36.073  37.472
  106    H4'   DG  10           H4'       DG  10  26.445  36.529  37.297
  107    H3'   DG  10           H3'       DG  10  27.473  37.061  39.837
  108    H2'   DG  10          H2''       DG  10  26.627  34.936  40.675
  109   H2''   DG  10          H2'        DG  10  25.358  36.103  41.182
  110    H1'   DG  10           H1'       DG  10  24.156  35.759  39.095
  111    H8    DG  10           H8        DG  10  25.852  32.934  41.065
  112    H1    DG  10           H1        DG  10  19.538  32.257  39.999
  113    H21   DG  10           H21       DG  10  20.082  34.654  37.599
  114    H22   DG  10           H22       DG  10  18.942  33.577  38.373
  115    H5'   DC  11           H5'       DC  11  23.901  38.892  37.360
  116   H5''   DC  11          H5''       DC  11  24.008  40.642  37.079
  117    H4'   DC  11           H4'       DC  11  21.723  40.405  37.442
  118    H3'   DC  11           H3'       DC  11  22.967  41.687  39.557
  119   HO3'   DC  11          HO3'       DC  11  20.614  41.846  40.310
  120    H2'   DC  11          H2''       DC  11  23.225  39.715  40.902
  121   H2''   DC  11          H2'        DC  11  21.652  40.330  41.513
  122    H1'   DC  11           H1'       DC  11  20.436  39.012  40.027
  123    H41   DC  11           H41       DC  11  22.084  34.415  44.067
  124    H42   DC  11           H42       DC  11  20.539  34.020  43.278
  125    H5    DC  11           H5        DC  11  23.539  36.121  43.067
  126    H6    DC  11           H6        DC  11  23.637  37.865  41.360
  127    H5'   DG  12          H5''       DG  12  10.842  32.653  44.541
  128   H5''   DG  12          H5'        DG  12  10.052  31.146  44.038
  129    H4'   DG  12           H4'       DG  12  10.300  32.774  42.180
  130    H3'   DG  12           H3'       DG  12  10.826  30.024  42.110
  131    H2'   DG  12           H2'       DG  12  13.131  30.103  41.899
  132   H2''   DG  12          H2''       DG  12  12.750  30.455  40.188
  133    H1'   DG  12           H1'       DG  12  13.160  32.721  40.417
  134    H8    DG  12           H8        DG  12  14.762  30.196  42.657
  135    H1    DG  12           H1        DG  12  18.611  35.139  41.551
  136    H21   DG  12           H21       DG  12  16.034  36.274  39.568
  137    H22   DG  12           H22       DG  12  17.708  36.429  40.083
  138   HO5'   DG  12          HO5'       DG  12  12.815  31.587  44.437
  139    H5'   DC  13           H5'       DC  13  11.241  32.601  38.626
  140   H5''   DC  13          H5''       DC  13  10.626  32.074  37.050
  141    H4'   DC  13           H4'       DC  13  12.642  33.311  36.691
  142    H3'   DC  13           H3'       DC  13  12.381  30.720  35.713
  143    H2'   DC  13          H2''       DC  13  13.885  29.775  37.339
  144   H2''   DC  13          H2'        DC  13  15.012  30.150  35.991
  145    H1'   DC  13           H1'       DC  13  15.542  32.296  36.923
  146    H41   DC  13           H41       DC  13  18.153  28.852  41.804
  147    H42   DC  13           H42       DC  13  19.249  30.193  41.433
  148    H5    DC  13           H5        DC  13  16.090  28.537  40.718
  149    H6    DC  13           H6        DC  13  14.441  29.622  39.281
  150    H5'   DA  14          H5''       DA  14  16.871  32.939  35.100
  151   H5''   DA  14          H5'        DA  14  15.913  33.704  33.823
  152    H4'   DA  14           H4'       DA  14  17.890  33.987  32.787
  153    H3'   DA  14           H3'       DA  14  16.897  31.882  31.504
  154    H2'   DA  14          H2''       DA  14  17.512  30.185  33.104
  155   H2''   DA  14          H2'        DA  14  18.908  30.090  31.984
  156    H1'   DA  14           H1'       DA  14  20.290  31.123  33.451
  157    H8    DA  14           H8        DA  14  17.060  30.289  35.424
  158    H61   DA  14           H61       DA  14  19.650  29.059  39.577
  159    H62   DA  14           H62       DA  14  21.360  29.289  39.909
  160    H2    DA  14           H2        DA  14  23.313  31.215  36.664
  161    H5'   DC  15           H5'       DC  15  21.511  31.136  31.703
  162   H5''   DC  15          H5''       DC  15  21.926  32.099  30.275
  163    H4'   DC  15           H4'       DC  15  23.573  30.610  29.852
  164    H3'   DC  15           H3'       DC  15  21.572  29.490  28.489
  165    H2'   DC  15           H2'       DC  15  20.493  28.487  30.334
  166   H2''   DC  15          H2''       DC  15  21.445  27.099  29.727
  167    H1'   DC  15           H1'       DC  15  22.982  27.244  31.353
  168    H41   DC  15           H41       DC  15  19.434  26.965  36.488
  169    H42   DC  15           H42       DC  15  21.120  26.939  37.063
  170    H5    DC  15           H5        DC  15  18.856  28.041  34.404
  171    H6    DC  15           H6        DC  15  19.764  28.370  32.157
  172    H5'   DT  16           H5'       DT  16  26.870  28.467  31.329
  173   H5''   DT  16          H5''       DT  16  27.345  28.425  29.625
  174    H4'   DT  16           H4'       DT  16  28.159  26.454  30.864
  175    H3'   DT  16           H3'       DT  16  26.921  26.423  28.359
  176    H2'   DT  16           H2'       DT  16  24.859  25.787  29.548
  177   H2''   DT  16          H2''       DT  16  25.464  24.267  28.799
  178    H1'   DT  16           H1'       DT  16  27.005  24.081  30.692
  179    H3    DT  16           H3        DT  16  25.040  20.645  33.046
  180    H71   DT  16           H71       DT  16  21.007  22.654  31.902
  181    H72   DT  16           H72       DT  16  21.183  21.966  30.269
  182    H73   DT  16           H73       DT  16  21.461  23.703  30.538
  183    H6    DT  16           H6        DT  16  23.506  24.068  30.011
  184    H5'   DT  17          H5''       DT  17  29.859  23.001  26.302
  185   H5''   DT  17          H5'        DT  17  28.683  23.483  25.064
  186    H4'   DT  17           H4'       DT  17  27.994  22.626  27.897
  187    H3'   DT  17           H3'       DT  17  27.972  21.052  25.309
  188    H2'   DT  17          H2''       DT  17  25.784  20.456  25.689
  189   H2''   DT  17          H2'        DT  17  26.109  20.163  27.420
  190    H1'   DT  17           H1'       DT  17  25.403  22.246  28.015
  191    H3    DT  17           H3        DT  17  23.053  22.536  23.188
  192    H71   DT  17           H71       DT  17  20.584  21.770  27.761
  193    H72   DT  17           H72       DT  17  19.787  22.718  26.483
  194    H73   DT  17           H73       DT  17  20.687  23.547  27.775
  195    H6    DT  17           H6        DT  17  23.151  22.552  28.012
  196    H5'   DC  18          H5''       DC  18  31.005  19.110  29.635
  197   H5''   DC  18          H5'        DC  18  32.282  18.832  28.439
  198    H4'   DC  18           H4'       DC  18  32.198  16.963  29.983
  199    H3'   DC  18           H3'       DC  18  32.190  16.556  27.253
  200    H2'   DC  18           H2'       DC  18  29.770  16.345  27.201
  201   H2''   DC  18          H2''       DC  18  30.324  14.636  27.250
  202    H1'   DC  18           H1'       DC  18  30.269  14.601  29.668
  203    H41   DC  18           H41       DC  18  23.709  15.325  29.273
  204    H42   DC  18           H42       DC  18  24.002  15.170  30.987
  205    H5    DC  18           H5        DC  18  25.405  15.195  27.653
  206    H6    DC  18           H6        DC  18  27.826  15.085  27.282
  207    H5'   DG  19           H5'       DG  19  31.122  12.468  30.183
  208   H5''   DG  19          H5''       DG  19  32.861  12.799  30.209
  209    H4'   DG  19           H4'       DG  19  33.060  10.609  30.730
  210    H3'   DG  19           H3'       DG  19  33.493  10.670  28.064
  211    H2'   DG  19           H2'       DG  19  31.354  10.435  27.220
  212   H2''   DG  19          H2''       DG  19  31.664   8.692  27.459
  213    H1'   DG  19           H1'       DG  19  30.187   8.590  29.138
  214    H8    DG  19           H8        DG  19  29.967  11.842  27.312
  215    H1    DG  19           H1        DG  19  24.836  10.395  30.930
  216    H21   DG  19           H21       DG  19  26.914   7.919  32.074
  217    H22   DG  19           H22       DG  19  25.340   8.687  32.191
  218    H5'   DA  20          H5''       DA  20  32.896   5.299  29.073
  219   H5''   DA  20          H5'        DA  20  32.199   6.554  28.032
  220    H4'   DA  20           H4'       DA  20  30.688   4.552  29.775
  221    H3'   DA  20           H3'       DA  20  31.628   4.242  27.254
  222    H2'   DA  20           H2'       DA  20  30.916   6.426  26.506
  223   H2''   DA  20          H2''       DA  20  29.667   5.323  25.823
  224    H1'   DA  20           H1'       DA  20  28.376   5.438  27.693
  225    H8    DA  20           H8        DA  20  29.859   8.230  26.088
  226    H61   DA  20           H61       DA  20  25.701  11.012  25.835
  227    H62   DA  20           H62       DA  20  24.106  10.652  26.517
  228    H2    DA  20           H2        DA  20  24.181   7.055  28.805
  229    H5'   DC  21          H5''       DC  21  27.381   2.152  28.548
  230   H5''   DC  21          H5'        DC  21  27.376   0.408  28.867
  231    H4'   DC  21           H4'       DC  21  25.909   0.212  27.171
  232    H3'   DC  21           H3'       DC  21  28.290  -0.085  25.865
  233    H2'   DC  21          H2''       DC  21  28.584   2.286  25.526
  234   H2''   DC  21          H2'        DC  21  27.927   1.751  23.945
  235    H1'   DC  21           H1'       DC  21  25.750   2.198  24.587
  236    H41   DC  21           H41       DC  21  26.967   8.435  23.761
  237    H42   DC  21           H42       DC  21  25.231   8.333  23.996
  238    H5    DC  21           H5        DC  21  28.436   6.580  24.141
  239    H6    DC  21           H6        DC  21  28.518   4.193  24.646
  240    H5'   DG  22           H5'       DG  22  24.562   0.624  22.913
  241   H5''   DG  22          H5''       DG  22  24.671  -0.770  21.826
  242    H4'   DG  22           H4'       DG  22  23.850   0.922  20.466
  243    H3'   DG  22           H3'       DG  22  26.569   0.117  19.952
  244   HO3'   DG  22          HO3'       DG  22  24.847  -0.224  18.534
  245    H2'   DG  22           H2'       DG  22  27.477   2.302  20.230
  246   H2''   DG  22          H2''       DG  22  26.791   2.521  18.586
  247    H1'   DG  22           H1'       DG  22  24.747   3.309  19.404
  248    H8    DG  22           H8        DG  22  28.005   4.425  19.924
  249    H1    DG  22           H1        DG  22  23.518   8.809  21.311
  250    H21   DG  22           H21       DG  22  21.502   6.048  21.712
  251    H22   DG  22           H22       DG  22  21.612   7.793  21.587
  252    H1   LLJ 101           H1       LLJ  23  18.988  24.980  32.454
  253   H3N2  LLJ 101          H3N2      LLJ  23  27.571  20.480  32.178
  254   H4N2  LLJ 101          H30       LLJ  23  28.380  20.532  30.769
  255    H3   LLJ 101           H3       LLJ  23  21.239  25.822  31.864
  256    H6   LLJ 101           H6       LLJ  23  20.616  22.776  35.739
  257    HN1  LLJ 101           HN1      LLJ  23  19.912  18.155  32.998
  258    H17  LLJ 101           H17      LLJ  23  23.734  25.577  32.106
  259   HN1A  LLJ 101          H8        LLJ  23  20.923  17.012  33.644
  260    H18  LLJ 101           H18      LLJ  23  25.560  24.687  33.445
  261    H10  LLJ 101           H10      LLJ  23  22.923  22.876  36.244
  262   H111  LLJ 101          H111      LLJ  23  20.752  15.587  31.765
  263   H211  LLJ 101          H211      LLJ  23  19.495  16.638  31.074
  264    H12  LLJ 101           H12      LLJ  23  25.324  17.378  32.126
  265    H14  LLJ 101           H14      LLJ  23  26.452  20.514  29.439
  266    H15  LLJ 101           H15      LLJ  23  24.124  20.629  28.558
  267   H18A  LLJ 101          H18A      LLJ  23  21.816  19.868  28.655
  268    H19  LLJ 101           H19      LLJ  23  20.104  18.380  29.656
  269    H21  LLJ 101           H21      LLJ  23  23.023  16.708  32.306
  270   H122  LLJ 101          H122      LLJ  23  18.119  16.352  32.866
  271   H222  LLJ 101          H222      LLJ  23  19.189  15.438  33.956
  272   H123  LLJ 101          H123      LLJ  23  17.416  16.829  35.141
  273   H223  LLJ 101          H223      LLJ  23  19.089  17.192  35.634
  274   H124  LLJ 101          H124      LLJ  23  16.536  18.992  35.590
  275   H224  LLJ 101          H224      LLJ  23  18.095  19.545  36.254
  276   H125  LLJ 101          H125      LLJ  23  16.769  20.703  33.760
  277   H225  LLJ 101          H225      LLJ  23  16.665  21.429  35.381
  278   H126  LLJ 101          H126      LLJ  23  17.892  22.971  33.155
  279   H226  LLJ 101          H226      LLJ  23  17.759  23.405  34.870
  280   H127  LLJ 101          H127      LLJ  23  28.012  18.256  30.276
  281   H227  LLJ 101          H227      LLJ  23  27.547  17.933  31.957
  282   H128  LLJ 101          H128      LLJ  23  30.209  19.250  31.615
  283   H228  LLJ 101          H228      LLJ  23  29.248  18.798  33.042
  284    HN3  LLJ 101           HN3      LLJ  23  19.159  21.486  35.363
  285   H129  LLJ 101          H129      LLJ  23  30.211  21.617  32.341
  286   H229  LLJ 101          H229      LLJ  23  30.846  20.579  33.645
  287   HN3A  LLJ 101          HN2       LLJ  23  19.152  21.005  33.776
  288   H130  LLJ 101          H130      LLJ  23  29.288  23.336  33.953
  289   H230  LLJ 101          H230      LLJ  23  30.155  22.389  35.189
  290   H131  LLJ 101          H131      LLJ  23  28.404  23.497  36.395
  291   H231  LLJ 101          H231      LLJ  23  27.807  21.837  36.155
  292   H132  LLJ 101          H132      LLJ  23  25.733  23.759  36.631
  293   H232  LLJ 101          H232      LLJ  23  25.407  22.167  35.926
  294    HN4  LLJ 101           HN4      LLJ  23  27.047  24.291  34.664
  295   HN4A  LLJ 101          H40       LLJ  23  26.806  22.799  34.019
  Start of MODEL    2
    1    H5'   DC   1           H5'       DC   1  17.004  12.185  17.612
    2   H5''   DC   1          H5''       DC   1  16.004  13.202  18.667
    3    H4'   DC   1           H4'       DC   1  16.514  10.864  19.531
    4    H3'   DC   1           H3'       DC   1  16.225  13.185  21.026
    5    H2'   DC   1           H2'       DC   1  18.598  13.589  21.270
    6   H2''   DC   1          H2''       DC   1  18.255  12.579  22.714
    7    H1'   DC   1           H1'       DC   1  18.853  10.576  21.618
    8    H41   DC   1           H41       DC   1  24.966  12.498  20.195
    9    H42   DC   1           H42       DC   1  24.956  10.747  20.501
   10    H5    DC   1           H5        DC   1  22.988  13.810  20.264
   11    H6    DC   1           H6        DC   1  20.547  13.717  20.527
   12   HO5'   DC   1          HO5'       DC   1  18.804  13.293  18.292
   13    H5'   DG   2          H5''       DG   2  16.051   8.655  22.716
   14   H5''   DG   2          H5'        DG   2  14.478   8.009  23.223
   15    H4'   DG   2           H4'       DG   2  15.291   7.679  25.300
   16    H3'   DG   2           H3'       DG   2  14.806  10.394  25.553
   17    H2'   DG   2           H2'       DG   2  16.939  10.979  24.546
   18   H2''   DG   2          H2''       DG   2  17.282  11.107  26.304
   19    H1'   DG   2           H1'       DG   2  18.071   8.862  26.423
   20    H8    DG   2           H8        DG   2  18.963  11.644  24.221
   21    H1    DG   2           H1        DG   2  23.551   7.141  24.641
   22    H21   DG   2           H21       DG   2  20.926   5.322  25.975
   23    H22   DG   2           H22       DG   2  22.642   5.297  25.541
   24    H5'   DT   3          H5''       DT   3  15.649   6.626  27.561
   25   H5''   DT   3          H5'        DT   3  14.938   5.817  28.972
   26    H4'   DT   3           H4'       DT   3  17.162   5.550  29.478
   27    H3'   DT   3           H3'       DT   3  15.950   7.548  31.028
   28    H2'   DT   3           H2'       DT   3  16.981   9.314  29.694
   29   H2''   DT   3          H2''       DT   3  18.113   9.138  31.083
   30    H1'   DT   3           H1'       DT   3  19.310   7.352  29.939
   31    H3    DT   3           H3        DT   3  22.771   9.047  27.768
   32    H71   DT   3           H71       DT   3  20.426  12.859  26.544
   33    H72   DT   3           H72       DT   3  19.722  13.069  28.165
   34    H73   DT   3           H73       DT   3  18.721  12.441  26.835
   35    H6    DT   3           H6        DT   3  18.182  10.471  28.241
   36    H5'   DC   4          H5''       DC   4  19.634   4.549  32.577
   37   H5''   DC   4          H5'        DC   4  19.352   3.758  34.138
   38    H4'   DC   4           H4'       DC   4  21.238   4.909  34.677
   39    H3'   DC   4           H3'       DC   4  18.933   6.232  35.646
   40    H2'   DC   4           H2'       DC   4  19.130   8.051  34.125
   41   H2''   DC   4          H2''       DC   4  20.179   8.644  35.453
   42    H1'   DC   4           H1'       DC   4  22.138   7.706  34.463
   43    H41   DC   4           H41       DC   4  21.792  12.352  29.944
   44    H42   DC   4           H42       DC   4  23.423  11.726  29.931
   45    H5    DC   4           H5        DC   4  19.992  11.200  31.043
   46    H6    DC   4           H6        DC   4  19.447   9.402  32.620
   47    H5'   DG   5          H5''       DG   5  23.320   6.811  36.768
   48   H5''   DG   5          H5'        DG   5  23.301   6.550  38.519
   49    H4'   DG   5           H4'       DG   5  25.320   7.656  38.207
   50    H3'   DG   5           H3'       DG   5  23.433   9.041  39.623
   51    H2'   DG   5          H2''       DG   5  22.664  10.385  37.839
   52   H2''   DG   5          H2'        DG   5  23.944  11.456  38.494
   53    H1'   DG   5           H1'       DG   5  25.506  10.778  36.878
   54    H8    DG   5           H8        DG   5  21.881   9.958  35.635
   55    H1    DG   5           H1        DG   5  25.368  14.166  32.215
   56    H21   DG   5           H21       DG   5  27.931  12.878  34.146
   57    H22   DG   5           H22       DG   5  27.468  13.996  32.856
   58    H5'   DT   6           H5'       DT   6  27.406  11.101  38.753
   59   H5''   DT   6          H5''       DT   6  28.073  11.940  40.163
   60    H4'   DT   6           H4'       DT   6  28.677  13.218  38.252
   61    H3'   DT   6           H3'       DT   6  26.292  14.467  39.632
   62    H2'   DT   6           H2'       DT   6  26.472  16.237  38.106
   63   H2''   DT   6          H2''       DT   6  28.212  15.936  37.817
   64    H1'   DT   6           H1'       DT   6  27.668  14.638  36.031
   65    H3    DT   6           H3        DT   6  24.357  17.242  34.240
   66    H71   DT   6           H71       DT   6  21.915  14.237  37.822
   67    H72   DT   6           H72       DT   6  21.074  14.688  36.319
   68    H73   DT   6           H73       DT   6  21.923  13.127  36.430
   69    H6    DT   6           H6        DT   6  24.452  13.486  37.279
   70    H5'   DA   7          H5''       DA   7  29.945  16.793  39.100
   71   H5''   DA   7          H5'        DA   7  30.450  17.439  40.673
   72    H4'   DA   7           H4'       DA   7  30.937  18.955  38.728
   73    H3'   DA   7           H3'       DA   7  30.191  19.808  41.222
   74    H2'   DA   7          H2''       DA   7  27.811  19.736  40.718
   75   H2''   DA   7          H2'        DA   7  28.202  21.470  40.460
   76    H1'   DA   7           H1'       DA   7  28.524  21.158  38.135
   77    H8    DA   7           H8        DA   7  25.609  20.521  40.036
   78    H61   DA   7           H61       DA   7  22.490  20.224  36.173
   79    H62   DA   7           H62       DA   7  22.866  19.926  34.477
   80    H2    DA   7           H2        DA   7  26.988  19.148  33.896
   81    H5'   DG   8          H5''       DG   8  28.177  24.152  40.220
   82   H5''   DG   8          H5'        DG   8  29.249  23.477  38.977
   83    H4'   DG   8           H4'       DG   8  30.830  25.250  39.210
   84    H3'   DG   8           H3'       DG   8  30.475  25.205  41.875
   85    H2'   DG   8          H2''       DG   8  28.287  25.923  42.083
   86   H2''   DG   8          H2'        DG   8  29.021  27.549  42.014
   87    H1'   DG   8           H1'       DG   8  28.177  27.941  39.995
   88    H8    DG   8           H8        DG   8  26.124  26.096  41.999
   89    H1    DG   8           H1        DG   8  23.560  26.693  36.130
   90    H21   DG   8           H21       DG   8  26.827  26.688  35.072
   91    H22   DG   8           H22       DG   8  25.137  26.900  34.666
   92    H5'   DT   9          H5''       DT   9  30.753  28.474  38.955
   93   H5''   DT   9          H5'        DT   9  31.939  29.742  39.317
   94    H4'   DT   9           H4'       DT   9  30.315  30.781  37.965
   95    H3'   DT   9           H3'       DT   9  30.760  31.799  40.487
   96    H2'   DT   9          H2''       DT   9  28.784  30.688  41.413
   97   H2''   DT   9          H2'        DT   9  28.182  32.341  41.047
   98    H1'   DT   9           H1'       DT   9  27.460  31.668  38.847
   99    H3    DT   9           H3        DT   9  23.478  29.741  38.878
  100    H71   DT   9           H71       DT   9  25.565  29.459  43.685
  101    H72   DT   9           H72       DT   9  24.200  28.381  43.308
  102    H73   DT   9           H73       DT   9  25.871  27.798  43.121
  103    H6    DT   9           H6        DT   9  27.314  29.383  41.749
  104    H5'   DG  10           H5'       DG  10  28.056  34.427  37.362
  105   H5''   DG  10          H5''       DG  10  28.723  36.067  37.506
  106    H4'   DG  10           H4'       DG  10  26.437  36.515  37.270
  107    H3'   DG  10           H3'       DG  10  27.440  37.040  39.820
  108    H2'   DG  10          H2''       DG  10  26.613  34.924  40.670
  109   H2''   DG  10          H2'        DG  10  25.331  36.082  41.171
  110    H1'   DG  10           H1'       DG  10  24.147  35.733  39.058
  111    H8    DG  10           H8        DG  10  25.838  32.912  41.054
  112    H1    DG  10           H1        DG  10  19.530  32.271  39.983
  113    H21   DG  10           H21       DG  10  20.070  34.698  37.586
  114    H22   DG  10           H22       DG  10  18.935  33.598  38.348
  115    H5'   DC  11           H5'       DC  11  23.932  38.951  37.305
  116   H5''   DC  11          H5''       DC  11  24.013  40.710  37.069
  117    H4'   DC  11           H4'       DC  11  21.727  40.423  37.452
  118    H3'   DC  11           H3'       DC  11  22.992  41.691  39.565
  119   HO3'   DC  11          HO3'       DC  11  20.635  41.839  40.327
  120    H2'   DC  11          H2''       DC  11  23.262  39.712  40.888
  121   H2''   DC  11          H2'        DC  11  21.699  40.332  41.519
  122    H1'   DC  11           H1'       DC  11  20.457  39.025  40.027
  123    H41   DC  11           H41       DC  11  22.137  34.336  44.002
  124    H42   DC  11           H42       DC  11  20.568  33.968  43.250
  125    H5    DC  11           H5        DC  11  23.560  36.072  43.035
  126    H6    DC  11           H6        DC  11  23.654  37.837  41.352
  127    H5'   DG  12           H5'       DG  12  10.931  32.646  44.548
  128   H5''   DG  12          H5''       DG  12  10.141  31.119  44.106
  129    H4'   DG  12           H4'       DG  12  10.320  32.727  42.203
  130    H3'   DG  12           H3'       DG  12  10.822  29.984  42.100
  131    H2'   DG  12           H2'       DG  12  13.142  30.072  41.916
  132   H2''   DG  12          H2''       DG  12  12.767  30.385  40.197
  133    H1'   DG  12           H1'       DG  12  13.163  32.661  40.379
  134    H8    DG  12           H8        DG  12  14.797  30.167  42.592
  135    H1    DG  12           H1        DG  12  18.603  35.137  41.527
  136    H21   DG  12           H21       DG  12  16.011  36.298  39.590
  137    H22   DG  12           H22       DG  12  17.699  36.446  40.074
  138   HO5'   DG  12          HO5'       DG  12  12.917  31.604  44.431
  139    H5'   DC  13           H5'       DC  13  11.313  32.602  38.680
  140   H5''   DC  13          H5''       DC  13  10.626  32.122  37.117
  141    H4'   DC  13           H4'       DC  13  12.635  33.300  36.676
  142    H3'   DC  13           H3'       DC  13  12.366  30.696  35.713
  143    H2'   DC  13          H2''       DC  13  13.889  29.776  37.340
  144   H2''   DC  13          H2'        DC  13  15.009  30.152  35.990
  145    H1'   DC  13           H1'       DC  13  15.549  32.291  36.916
  146    H41   DC  13           H41       DC  13  18.173  28.836  41.774
  147    H42   DC  13           H42       DC  13  19.271  30.167  41.384
  148    H5    DC  13           H5        DC  13  16.102  28.514  40.689
  149    H6    DC  13           H6        DC  13  14.447  29.607  39.268
  150    H5'   DA  14          H5''       DA  14  16.855  32.936  35.074
  151   H5''   DA  14          H5'        DA  14  15.912  33.684  33.778
  152    H4'   DA  14           H4'       DA  14  17.896  33.957  32.775
  153    H3'   DA  14           H3'       DA  14  16.894  31.862  31.491
  154    H2'   DA  14           H2'       DA  14  17.512  30.136  33.060
  155   H2''   DA  14          H2''       DA  14  18.919  30.080  31.950
  156    H1'   DA  14           H1'       DA  14  20.283  31.097  33.423
  157    H8    DA  14           H8        DA  14  17.079  30.252  35.420
  158    H61   DA  14           H61       DA  14  19.706  29.061  39.577
  159    H62   DA  14           H62       DA  14  21.420  29.297  39.879
  160    H2    DA  14           H2        DA  14  23.341  31.193  36.604
  161    H5'   DC  15           H5'       DC  15  21.598  31.167  31.667
  162   H5''   DC  15          H5''       DC  15  21.983  32.083  30.201
  163    H4'   DC  15           H4'       DC  15  23.622  30.573  29.818
  164    H3'   DC  15           H3'       DC  15  21.592  29.470  28.471
  165    H2'   DC  15           H2'       DC  15  20.523  28.488  30.333
  166   H2''   DC  15          H2''       DC  15  21.464  27.090  29.737
  167    H1'   DC  15           H1'       DC  15  23.003  27.238  31.359
  168    H41   DC  15           H41       DC  15  19.446  26.928  36.480
  169    H42   DC  15           H42       DC  15  21.133  26.966  37.056
  170    H5    DC  15           H5        DC  15  18.852  28.039  34.382
  171    H6    DC  15           H6        DC  15  19.788  28.361  32.145
  172    H5'   DT  16          H5''       DT  16  26.868  28.506  31.286
  173   H5''   DT  16          H5'        DT  16  27.346  28.423  29.584
  174    H4'   DT  16           H4'       DT  16  28.162  26.479  30.867
  175    H3'   DT  16           H3'       DT  16  26.943  26.402  28.342
  176    H2'   DT  16           H2'       DT  16  24.881  25.777  29.533
  177   H2''   DT  16          H2''       DT  16  25.498  24.248  28.814
  178    H1'   DT  16           H1'       DT  16  27.029  24.108  30.728
  179    H3    DT  16           H3        DT  16  25.084  20.609  33.017
  180    H71   DT  16           H71       DT  16  21.042  22.654  31.904
  181    H72   DT  16           H72       DT  16  21.209  21.966  30.270
  182    H73   DT  16           H73       DT  16  21.499  23.702  30.539
  183    H6    DT  16           H6        DT  16  23.558  24.048  30.004
  184    H5'   DT  17           H5'       DT  17  29.856  22.993  26.361
  185   H5''   DT  17          H5''       DT  17  28.719  23.469  25.086
  186    H4'   DT  17           H4'       DT  17  27.968  22.619  27.912
  187    H3'   DT  17           H3'       DT  17  27.932  21.071  25.302
  188    H2'   DT  17           H2'       DT  17  25.735  20.468  25.703
  189   H2''   DT  17          H2''       DT  17  26.073  20.198  27.436
  190    H1'   DT  17           H1'       DT  17  25.394  22.287  28.012
  191    H3    DT  17           H3        DT  17  23.045  22.557  23.211
  192    H71   DT  17           H71       DT  17  20.584  21.782  27.795
  193    H72   DT  17           H72       DT  17  19.776  22.719  26.516
  194    H73   DT  17           H73       DT  17  20.681  23.559  27.797
  195    H6    DT  17           H6        DT  17  23.139  22.534  28.033
  196    H5'   DC  18           H5'       DC  18  30.977  19.093  29.616
  197   H5''   DC  18          H5''       DC  18  32.241  18.839  28.401
  198    H4'   DC  18           H4'       DC  18  32.197  16.985  29.966
  199    H3'   DC  18           H3'       DC  18  32.201  16.517  27.248
  200    H2'   DC  18           H2'       DC  18  29.780  16.306  27.187
  201   H2''   DC  18          H2''       DC  18  30.332  14.598  27.267
  202    H1'   DC  18           H1'       DC  18  30.261  14.600  29.676
  203    H41   DC  18           H41       DC  18  23.728  15.323  29.296
  204    H42   DC  18           H42       DC  18  24.014  15.188  31.011
  205    H5    DC  18           H5        DC  18  25.397  15.218  27.674
  206    H6    DC  18           H6        DC  18  27.817  15.051  27.285
  207    H5'   DG  19          H5''       DG  19  31.113  12.423  30.197
  208   H5''   DG  19          H5'        DG  19  32.851  12.761  30.241
  209    H4'   DG  19           H4'       DG  19  33.081  10.579  30.730
  210    H3'   DG  19           H3'       DG  19  33.487  10.660  28.070
  211    H2'   DG  19           H2'       DG  19  31.359  10.392  27.207
  212   H2''   DG  19          H2''       DG  19  31.681   8.651  27.460
  213    H1'   DG  19           H1'       DG  19  30.189   8.559  29.129
  214    H8    DG  19           H8        DG  19  30.000  11.819  27.324
  215    H1    DG  19           H1        DG  19  24.860  10.365  30.923
  216    H21   DG  19           H21       DG  19  26.925   7.911  32.080
  217    H22   DG  19           H22       DG  19  25.350   8.672  32.173
  218    H5'   DA  20           H5'       DA  20  32.943   5.296  29.033
  219   H5''   DA  20          H5''       DA  20  32.233   6.541  27.990
  220    H4'   DA  20           H4'       DA  20  30.762   4.509  29.735
  221    H3'   DA  20           H3'       DA  20  31.648   4.224  27.195
  222    H2'   DA  20           H2'       DA  20  30.913   6.420  26.491
  223   H2''   DA  20          H2''       DA  20  29.668   5.314  25.809
  224    H1'   DA  20           H1'       DA  20  28.379   5.411  27.690
  225    H8    DA  20           H8        DA  20  29.854   8.198  26.089
  226    H61   DA  20           H61       DA  20  25.712  10.988  25.831
  227    H62   DA  20           H62       DA  20  24.119  10.636  26.505
  228    H2    DA  20           H2        DA  20  24.176   7.030  28.804
  229    H5'   DC  21           H5'       DC  21  27.414   2.121  28.530
  230   H5''   DC  21          H5''       DC  21  27.409   0.374  28.823
  231    H4'   DC  21           H4'       DC  21  25.933   0.212  27.137
  232    H3'   DC  21           H3'       DC  21  28.313  -0.064  25.833
  233    H2'   DC  21          H2''       DC  21  28.593   2.316  25.509
  234   H2''   DC  21          H2'        DC  21  27.929   1.786  23.930
  235    H1'   DC  21           H1'       DC  21  25.762   2.239  24.571
  236    H41   DC  21           H41       DC  21  26.994   8.486  23.786
  237    H42   DC  21           H42       DC  21  25.254   8.394  24.024
  238    H5    DC  21           H5        DC  21  28.445   6.606  24.100
  239    H6    DC  21           H6        DC  21  28.513   4.220  24.610
  240    H5'   DG  22          H5''       DG  22  24.549   0.631  22.924
  241   H5''   DG  22          H5'        DG  22  24.673  -0.757  21.827
  242    H4'   DG  22           H4'       DG  22  23.830   0.943  20.487
  243    H3'   DG  22           H3'       DG  22  26.535   0.134  19.935
  244   HO3'   DG  22          HO3'       DG  22  24.857  -0.225  18.499
  245    H2'   DG  22          H2''       DG  22  27.438   2.307  20.185
  246   H2''   DG  22          H2'        DG  22  26.747   2.523  18.542
  247    H1'   DG  22           H1'       DG  22  24.706   3.334  19.400
  248    H8    DG  22           H8        DG  22  27.981   4.413  19.896
  249    H1    DG  22           H1        DG  22  23.522   8.816  21.282
  250    H21   DG  22           H21       DG  22  21.509   6.013  21.660
  251    H22   DG  22           H22       DG  22  21.607   7.771  21.552
  252    H1   LLJ 101           H1       LLJ  23  18.997  24.973  32.430
  253   H3N2  LLJ 101          H3N2      LLJ  23  27.590  20.431  32.203
  254   H4N2  LLJ 101          H30       LLJ  23  28.400  20.485  30.788
  255    H3   LLJ 101           H3       LLJ  23  21.248  25.836  31.864
  256    H6   LLJ 101           H6       LLJ  23  20.614  22.749  35.710
  257    HN1  LLJ 101           HN1      LLJ  23  19.925  18.157  33.027
  258    H17  LLJ 101           H17      LLJ  23  23.745  25.569  32.109
  259   HN1A  LLJ 101          H8        LLJ  23  20.934  16.993  33.642
  260    H18  LLJ 101           H18      LLJ  23  25.564  24.659  33.455
  261    H10  LLJ 101           H10      LLJ  23  22.907  22.852  36.230
  262   H111  LLJ 101          H111      LLJ  23  20.678  15.606  31.707
  263   H211  LLJ 101          H211      LLJ  23  19.454  16.731  31.073
  264    H12  LLJ 101           H12      LLJ  23  25.312  17.320  32.139
  265    H14  LLJ 101           H14      LLJ  23  26.496  20.451  29.461
  266    H15  LLJ 101           H15      LLJ  23  24.173  20.634  28.606
  267   H18A  LLJ 101          H18A      LLJ  23  21.857  19.890  28.669
  268    H19  LLJ 101           H19      LLJ  23  20.116  18.430  29.650
  269    H21  LLJ 101           H21      LLJ  23  22.999  16.686  32.292
  270   H122  LLJ 101          H122      LLJ  23  18.128  16.363  32.840
  271   H222  LLJ 101          H222      LLJ  23  19.175  15.445  33.950
  272   H123  LLJ 101          H123      LLJ  23  19.053  17.198  35.623
  273   H223  LLJ 101          H223      LLJ  23  17.387  16.847  35.095
  274   H124  LLJ 101          H124      LLJ  23  18.077  19.556  36.210
  275   H224  LLJ 101          H224      LLJ  23  16.526  19.003  35.528
  276   H125  LLJ 101          H125      LLJ  23  16.656  21.443  35.319
  277   H225  LLJ 101          H225      LLJ  23  16.781  20.718  33.699
  278   H126  LLJ 101          H126      LLJ  23  17.911  22.985  33.120
  279   H226  LLJ 101          H226      LLJ  23  17.768  23.416  34.835
  280   H127  LLJ 101          H127      LLJ  23  28.014  18.173  30.332
  281   H227  LLJ 101          H227      LLJ  23  27.532  17.897  32.016
  282   H128  LLJ 101          H128      LLJ  23  29.282  18.755  33.040
  283   H228  LLJ 101          H228      LLJ  23  30.228  19.230  31.611
  284    HN3  LLJ 101           HN3      LLJ  23  19.146  21.494  35.343
  285   H129  LLJ 101          H129      LLJ  23  30.210  21.587  32.359
  286   H229  LLJ 101          H229      LLJ  23  30.862  20.544  33.649
  287   HN3A  LLJ 101          HN2       LLJ  23  19.177  21.029  33.749
  288   H130  LLJ 101          H130      LLJ  23  30.158  22.299  35.243
  289   H230  LLJ 101          H230      LLJ  23  29.320  23.270  34.007
  290   H131  LLJ 101          H131      LLJ  23  27.822  21.782  36.213
  291   H231  LLJ 101          H231      LLJ  23  28.383  23.462  36.403
  292   H132  LLJ 101          H132      LLJ  23  25.366  22.145  35.966
  293   H232  LLJ 101          H232      LLJ  23  25.747  23.744  36.623
  294    HN4  LLJ 101           HN4      LLJ  23  27.043  24.152  34.575
  295   HN4A  LLJ 101          H40       LLJ  23  26.780  22.610  34.063
  Start of MODEL    3
    1    H5'   DC   1          H5''       DC   1  16.902  12.244  17.628
    2   H5''   DC   1          H5'        DC   1  15.982  13.282  18.732
    3    H4'   DC   1           H4'       DC   1  16.506  10.909  19.549
    4    H3'   DC   1           H3'       DC   1  16.222  13.223  21.069
    5    H2'   DC   1           H2'       DC   1  18.600  13.632  21.278
    6   H2''   DC   1          H2''       DC   1  18.270  12.625  22.727
    7    H1'   DC   1           H1'       DC   1  18.833  10.617  21.617
    8    H41   DC   1           H41       DC   1  24.968  12.509  20.227
    9    H42   DC   1           H42       DC   1  24.942  10.757  20.526
   10    H5    DC   1           H5        DC   1  22.994  13.832  20.288
   11    H6    DC   1           H6        DC   1  20.551  13.748  20.540
   12   HO5'   DC   1          HO5'       DC   1  18.762  13.314  18.249
   13    H5'   DG   2           H5'       DG   2  16.022   8.670  22.742
   14   H5''   DG   2          H5''       DG   2  14.443   8.056  23.262
   15    H4'   DG   2           H4'       DG   2  15.287   7.702  25.323
   16    H3'   DG   2           H3'       DG   2  14.804  10.412  25.577
   17    H2'   DG   2          H2''       DG   2  16.923  10.961  24.530
   18   H2''   DG   2          H2'        DG   2  17.291  11.149  26.277
   19    H1'   DG   2           H1'       DG   2  18.075   8.879  26.428
   20    H8    DG   2           H8        DG   2  18.951  11.645  24.233
   21    H1    DG   2           H1        DG   2  23.544   7.136  24.649
   22    H21   DG   2           H21       DG   2  20.917   5.308  25.925
   23    H22   DG   2           H22       DG   2  22.634   5.291  25.501
   24    H5'   DT   3           H5'       DT   3  15.665   6.646  27.550
   25   H5''   DT   3          H5''       DT   3  14.959   5.798  28.939
   26    H4'   DT   3           H4'       DT   3  17.174   5.549  29.464
   27    H3'   DT   3           H3'       DT   3  15.976   7.550  31.007
   28    H2'   DT   3           H2'       DT   3  17.015   9.316  29.687
   29   H2''   DT   3          H2''       DT   3  18.141   9.121  31.078
   30    H1'   DT   3           H1'       DT   3  19.325   7.347  29.931
   31    H3    DT   3           H3        DT   3  22.810   9.063  27.836
   32    H71   DT   3           H71       DT   3  18.731  12.402  26.826
   33    H72   DT   3           H72       DT   3  19.735  13.068  28.136
   34    H73   DT   3           H73       DT   3  20.428  12.837  26.513
   35    H6    DT   3           H6        DT   3  18.223  10.466  28.246
   36    H5'   DC   4           H5'       DC   4  19.663   4.623  32.515
   37   H5''   DC   4          H5''       DC   4  19.390   3.752  34.035
   38    H4'   DC   4           H4'       DC   4  21.260   4.902  34.656
   39    H3'   DC   4           H3'       DC   4  18.956   6.208  35.627
   40    H2'   DC   4           H2'       DC   4  19.161   8.043  34.122
   41   H2''   DC   4          H2''       DC   4  20.191   8.624  35.471
   42    H1'   DC   4           H1'       DC   4  22.167   7.703  34.496
   43    H41   DC   4           H41       DC   4  21.803  12.347  29.964
   44    H42   DC   4           H42       DC   4  23.442  11.724  29.969
   45    H5    DC   4           H5        DC   4  19.993  11.165  31.025
   46    H6    DC   4           H6        DC   4  19.473   9.363  32.616
   47    H5'   DG   5          H5''       DG   5  23.341   6.783  36.756
   48   H5''   DG   5          H5'        DG   5  23.305   6.543  38.511
   49    H4'   DG   5           H4'       DG   5  25.332   7.641  38.178
   50    H3'   DG   5           H3'       DG   5  23.436   9.006  39.619
   51    H2'   DG   5           H2'       DG   5  22.653  10.388  37.861
   52   H2''   DG   5          H2''       DG   5  23.956  11.431  38.515
   53    H1'   DG   5           H1'       DG   5  25.494  10.777  36.896
   54    H8    DG   5           H8        DG   5  21.855   9.995  35.686
   55    H1    DG   5           H1        DG   5  25.352  14.134  32.189
   56    H21   DG   5           H21       DG   5  27.913  12.885  34.141
   57    H22   DG   5           H22       DG   5  27.448  13.991  32.848
   58    H5'   DT   6          H5''       DT   6  27.390  11.088  38.768
   59   H5''   DT   6          H5'        DT   6  28.041  11.944  40.173
   60    H4'   DT   6           H4'       DT   6  28.677  13.197  38.264
   61    H3'   DT   6           H3'       DT   6  26.285  14.468  39.625
   62    H2'   DT   6          H2''       DT   6  26.471  16.218  38.095
   63   H2''   DT   6          H2'        DT   6  28.217  15.936  37.824
   64    H1'   DT   6           H1'       DT   6  27.684  14.631  36.026
   65    H3    DT   6           H3        DT   6  24.360  17.253  34.260
   66    H71   DT   6           H71       DT   6  21.908  13.166  36.459
   67    H72   DT   6           H72       DT   6  21.072  14.733  36.353
   68    H73   DT   6           H73       DT   6  21.916  14.275  37.851
   69    H6    DT   6           H6        DT   6  24.447  13.504  37.304
   70    H5'   DA   7          H5''       DA   7  29.965  16.760  39.142
   71   H5''   DA   7          H5'        DA   7  30.460  17.431  40.708
   72    H4'   DA   7           H4'       DA   7  30.967  18.922  38.741
   73    H3'   DA   7           H3'       DA   7  30.187  19.783  41.215
   74    H2'   DA   7           H2'       DA   7  27.804  19.731  40.709
   75   H2''   DA   7          H2''       DA   7  28.229  21.452  40.420
   76    H1'   DA   7           H1'       DA   7  28.560  21.121  38.109
   77    H8    DA   7           H8        DA   7  25.635  20.500  40.021
   78    H61   DA   7           H61       DA   7  22.499  20.220  36.173
   79    H62   DA   7           H62       DA   7  22.866  19.898  34.477
   80    H2    DA   7           H2        DA   7  26.977  19.121  33.878
   81    H5'   DG   8          H5''       DG   8  28.169  24.129  40.237
   82   H5''   DG   8          H5'        DG   8  29.229  23.461  38.979
   83    H4'   DG   8           H4'       DG   8  30.823  25.211  39.229
   84    H3'   DG   8           H3'       DG   8  30.471  25.184  41.891
   85    H2'   DG   8           H2'       DG   8  28.266  25.901  42.070
   86   H2''   DG   8          H2''       DG   8  29.010  27.522  42.009
   87    H1'   DG   8           H1'       DG   8  28.198  27.927  39.983
   88    H8    DG   8           H8        DG   8  26.134  26.081  41.981
   89    H1    DG   8           H1        DG   8  23.575  26.687  36.116
   90    H21   DG   8           H21       DG   8  26.843  26.699  35.054
   91    H22   DG   8           H22       DG   8  25.152  26.889  34.660
   92    H5'   DT   9          H5''       DT   9  30.732  28.448  38.935
   93   H5''   DT   9          H5'        DT   9  31.937  29.701  39.294
   94    H4'   DT   9           H4'       DT   9  30.316  30.770  37.955
   95    H3'   DT   9           H3'       DT   9  30.765  31.772  40.478
   96    H2'   DT   9          H2''       DT   9  28.786  30.669  41.411
   97   H2''   DT   9          H2'        DT   9  28.182  32.322  41.044
   98    H1'   DT   9           H1'       DT   9  27.449  31.646  38.850
   99    H3    DT   9           H3        DT   9  23.466  29.701  38.883
  100    H71   DT   9           H71       DT   9  25.891  27.774  43.104
  101    H72   DT   9           H72       DT   9  24.229  28.375  43.317
  102    H73   DT   9           H73       DT   9  25.612  29.436  43.675
  103    H6    DT   9           H6        DT   9  27.332  29.339  41.719
  104    H5'   DG  10          H5''       DG  10  28.107  34.464  37.327
  105   H5''   DG  10          H5'        DG  10  28.748  36.108  37.530
  106    H4'   DG  10           H4'       DG  10  26.450  36.512  37.278
  107    H3'   DG  10           H3'       DG  10  27.463  37.036  39.828
  108    H2'   DG  10          H2''       DG  10  26.639  34.909  40.677
  109   H2''   DG  10          H2'        DG  10  25.354  36.064  41.176
  110    H1'   DG  10           H1'       DG  10  24.177  35.717  39.060
  111    H8    DG  10           H8        DG  10  25.870  32.877  41.014
  112    H1    DG  10           H1        DG  10  19.535  32.271  40.001
  113    H21   DG  10           H21       DG  10  20.082  34.663  37.586
  114    H22   DG  10           H22       DG  10  18.951  33.576  38.379
  115    H5'   DC  11          H5''       DC  11  23.950  38.950  37.267
  116   H5''   DC  11          H5'        DC  11  24.031  40.712  37.057
  117    H4'   DC  11           H4'       DC  11  21.749  40.393  37.390
  118    H3'   DC  11           H3'       DC  11  22.979  41.694  39.512
  119   HO3'   DC  11          HO3'       DC  11  20.639  41.852  40.258
  120    H2'   DC  11           H2'       DC  11  23.248  39.734  40.875
  121   H2''   DC  11          H2''       DC  11  21.660  40.343  41.450
  122    H1'   DC  11           H1'       DC  11  20.459  39.008  39.973
  123    H41   DC  11           H41       DC  11  22.143  34.433  44.044
  124    H42   DC  11           H42       DC  11  20.582  34.017  43.291
  125    H5    DC  11           H5        DC  11  23.565  36.139  43.047
  126    H6    DC  11           H6        DC  11  23.657  37.871  41.332
  127    H5'   DG  12           H5'       DG  12  10.941  32.711  44.561
  128   H5''   DG  12          H5''       DG  12  10.120  31.194  44.133
  129    H4'   DG  12           H4'       DG  12  10.307  32.766  42.222
  130    H3'   DG  12           H3'       DG  12  10.806  30.023  42.133
  131    H2'   DG  12          H2''       DG  12  13.122  30.104  41.949
  132   H2''   DG  12          H2'        DG  12  12.754  30.408  40.227
  133    H1'   DG  12           H1'       DG  12  13.162  32.677  40.403
  134    H8    DG  12           H8        DG  12  14.790  30.186  42.624
  135    H1    DG  12           H1        DG  12  18.631  35.146  41.533
  136    H21   DG  12           H21       DG  12  16.033  36.232  39.583
  137    H22   DG  12           H22       DG  12  17.735  36.414  40.060
  138   HO5'   DG  12          HO5'       DG  12  12.894  31.655  44.463
  139    H5'   DC  13           H5'       DC  13  11.272  32.594  38.658
  140   H5''   DC  13          H5''       DC  13  10.621  32.084  37.091
  141    H4'   DC  13           H4'       DC  13  12.631  33.287  36.693
  142    H3'   DC  13           H3'       DC  13  12.374  30.696  35.715
  143    H2'   DC  13          H2''       DC  13  13.887  29.769  37.349
  144   H2''   DC  13          H2'        DC  13  15.010  30.147  36.001
  145    H1'   DC  13           H1'       DC  13  15.537  32.300  36.934
  146    H41   DC  13           H41       DC  13  18.164  28.852  41.814
  147    H42   DC  13           H42       DC  13  19.277  30.170  41.399
  148    H5    DC  13           H5        DC  13  16.093  28.522  40.710
  149    H6    DC  13           H6        DC  13  14.436  29.633  39.311
  150    H5'   DA  14          H5''       DA  14  16.837  32.960  35.044
  151   H5''   DA  14          H5'        DA  14  15.885  33.672  33.734
  152    H4'   DA  14           H4'       DA  14  17.883  33.962  32.738
  153    H3'   DA  14           H3'       DA  14  16.895  31.849  31.465
  154    H2'   DA  14           H2'       DA  14  17.516  30.140  33.064
  155   H2''   DA  14          H2''       DA  14  18.925  30.079  31.957
  156    H1'   DA  14           H1'       DA  14  20.283  31.129  33.420
  157    H8    DA  14           H8        DA  14  17.070  30.289  35.416
  158    H61   DA  14           H61       DA  14  19.677  29.060  39.565
  159    H62   DA  14           H62       DA  14  21.388  29.285  39.874
  160    H2    DA  14           H2        DA  14  23.323  31.223  36.629
  161    H5'   DC  15          H5''       DC  15  21.552  31.155  31.675
  162   H5''   DC  15          H5'        DC  15  21.955  32.084  30.223
  163    H4'   DC  15           H4'       DC  15  23.616  30.609  29.835
  164    H3'   DC  15           H3'       DC  15  21.601  29.481  28.488
  165    H2'   DC  15           H2'       DC  15  20.526  28.474  30.332
  166   H2''   DC  15          H2''       DC  15  21.492  27.090  29.736
  167    H1'   DC  15           H1'       DC  15  23.028  27.260  31.368
  168    H41   DC  15           H41       DC  15  19.440  26.947  36.490
  169    H42   DC  15           H42       DC  15  21.122  26.953  37.062
  170    H5    DC  15           H5        DC  15  18.866  28.069  34.383
  171    H6    DC  15           H6        DC  15  19.795  28.355  32.143
  172    H5'   DT  16          H5''       DT  16  26.899  28.491  31.311
  173   H5''   DT  16          H5'        DT  16  27.359  28.405  29.603
  174    H4'   DT  16           H4'       DT  16  28.173  26.466  30.897
  175    H3'   DT  16           H3'       DT  16  26.967  26.386  28.370
  176    H2'   DT  16          H2''       DT  16  24.924  25.769  29.587
  177   H2''   DT  16          H2'        DT  16  25.499  24.244  28.826
  178    H1'   DT  16           H1'       DT  16  27.054  24.068  30.752
  179    H3    DT  16           H3        DT  16  25.068  20.592  33.034
  180    H71   DT  16           H71       DT  16  21.496  23.708  30.544
  181    H72   DT  16           H72       DT  16  21.204  21.975  30.261
  182    H73   DT  16           H73       DT  16  21.026  22.653  31.898
  183    H6    DT  16           H6        DT  16  23.552  24.063  30.029
  184    H5'   DT  17          H5''       DT  17  29.844  23.005  26.331
  185   H5''   DT  17          H5'        DT  17  28.681  23.505  25.087
  186    H4'   DT  17           H4'       DT  17  27.968  22.636  27.911
  187    H3'   DT  17           H3'       DT  17  27.964  21.071  25.320
  188    H2'   DT  17          H2''       DT  17  25.752  20.517  25.654
  189   H2''   DT  17          H2'        DT  17  26.050  20.176  27.381
  190    H1'   DT  17           H1'       DT  17  25.380  22.267  28.019
  191    H3    DT  17           H3        DT  17  23.058  22.639  23.191
  192    H71   DT  17           H71       DT  17  20.683  23.588  27.770
  193    H72   DT  17           H72       DT  17  19.776  22.780  26.469
  194    H73   DT  17           H73       DT  17  20.555  21.813  27.744
  195    H6    DT  17           H6        DT  17  23.128  22.508  28.018
  196    H5'   DC  18          H5''       DC  18  31.020  19.108  29.653
  197   H5''   DC  18          H5'        DC  18  32.249  18.843  28.405
  198    H4'   DC  18           H4'       DC  18  32.217  16.973  29.977
  199    H3'   DC  18           H3'       DC  18  32.196  16.544  27.244
  200    H2'   DC  18           H2'       DC  18  29.780  16.326  27.194
  201   H2''   DC  18          H2''       DC  18  30.337  14.619  27.260
  202    H1'   DC  18           H1'       DC  18  30.283  14.607  29.669
  203    H41   DC  18           H41       DC  18  23.761  15.265  29.300
  204    H42   DC  18           H42       DC  18  24.021  15.148  31.023
  205    H5    DC  18           H5        DC  18  25.403  15.176  27.701
  206    H6    DC  18           H6        DC  18  27.819  15.060  27.293
  207    H5'   DG  19          H5''       DG  19  31.164  12.441  30.217
  208   H5''   DG  19          H5'        DG  19  32.902  12.774  30.231
  209    H4'   DG  19           H4'       DG  19  33.119  10.592  30.741
  210    H3'   DG  19           H3'       DG  19  33.540  10.661  28.086
  211    H2'   DG  19          H2''       DG  19  31.401  10.439  27.244
  212   H2''   DG  19          H2'        DG  19  31.708   8.689  27.447
  213    H1'   DG  19           H1'       DG  19  30.242   8.569  29.138
  214    H8    DG  19           H8        DG  19  30.031  11.818  27.342
  215    H1    DG  19           H1        DG  19  24.901  10.349  30.945
  216    H21   DG  19           H21       DG  19  26.998   7.880  32.092
  217    H22   DG  19           H22       DG  19  25.412   8.621  32.215
  218    H5'   DA  20           H5'       DA  20  32.971   5.303  29.024
  219   H5''   DA  20          H5''       DA  20  32.266   6.576  28.012
  220    H4'   DA  20           H4'       DA  20  30.779   4.540  29.738
  221    H3'   DA  20           H3'       DA  20  31.661   4.224  27.196
  222    H2'   DA  20           H2'       DA  20  30.950   6.427  26.491
  223   H2''   DA  20          H2''       DA  20  29.696   5.331  25.811
  224    H1'   DA  20           H1'       DA  20  28.413   5.443  27.697
  225    H8    DA  20           H8        DA  20  29.905   8.235  26.113
  226    H61   DA  20           H61       DA  20  25.741  10.998  25.810
  227    H62   DA  20           H62       DA  20  24.147  10.625  26.459
  228    H2    DA  20           H2        DA  20  24.205   7.023  28.762
  229    H5'   DC  21           H5'       DC  21  27.412   2.199  28.476
  230   H5''   DC  21          H5''       DC  21  27.394   0.462  28.827
  231    H4'   DC  21           H4'       DC  21  25.935   0.238  27.122
  232    H3'   DC  21           H3'       DC  21  28.313  -0.039  25.827
  233    H2'   DC  21           H2'       DC  21  28.608   2.337  25.476
  234   H2''   DC  21          H2''       DC  21  27.925   1.792  23.910
  235    H1'   DC  21           H1'       DC  21  25.770   2.260  24.534
  236    H41   DC  21           H41       DC  21  27.006   8.481  23.749
  237    H42   DC  21           H42       DC  21  25.264   8.398  24.005
  238    H5    DC  21           H5        DC  21  28.455   6.628  24.136
  239    H6    DC  21           H6        DC  21  28.527   4.243  24.642
  240    H5'   DG  22          H5''       DG  22  24.553   0.645  22.886
  241   H5''   DG  22          H5'        DG  22  24.693  -0.748  21.801
  242    H4'   DG  22           H4'       DG  22  23.821   0.933  20.440
  243    H3'   DG  22           H3'       DG  22  26.539   0.157  19.885
  244   HO3'   DG  22          HO3'       DG  22  24.844  -0.207  18.471
  245    H2'   DG  22          H2''       DG  22  27.421   2.333  20.142
  246   H2''   DG  22          H2'        DG  22  26.718   2.558  18.508
  247    H1'   DG  22           H1'       DG  22  24.690   3.364  19.378
  248    H8    DG  22           H8        DG  22  27.961   4.449  19.867
  249    H1    DG  22           H1        DG  22  23.504   8.824  21.308
  250    H21   DG  22           H21       DG  22  21.485   6.027  21.676
  251    H22   DG  22           H22       DG  22  21.582   7.787  21.582
  252    H1   LLJ 101           H1       LLJ  23  19.019  24.994  32.465
  253   H3N2  LLJ 101          H3N2      LLJ  23  27.574  20.422  32.186
  254   H4N2  LLJ 101          H30       LLJ  23  28.421  20.546  30.798
  255    H3   LLJ 101           H3       LLJ  23  21.275  25.828  31.886
  256    H6   LLJ 101           H6       LLJ  23  20.645  22.690  35.685
  257    HN1  LLJ 101           HN1      LLJ  23  19.914  18.147  32.999
  258    H17  LLJ 101           H17      LLJ  23  23.772  25.550  32.123
  259   HN1A  LLJ 101          H8        LLJ  23  20.934  17.028  33.669
  260    H18  LLJ 101           H18      LLJ  23  25.593  24.675  33.486
  261    H10  LLJ 101           H10      LLJ  23  22.932  22.826  36.240
  262   H111  LLJ 101          H111      LLJ  23  20.789  15.582  31.787
  263   H211  LLJ 101          H211      LLJ  23  19.526  16.619  31.086
  264    H12  LLJ 101           H12      LLJ  23  25.383  17.345  32.085
  265    H14  LLJ 101           H14      LLJ  23  26.464  20.516  29.426
  266    H15  LLJ 101           H15      LLJ  23  24.139  20.636  28.565
  267   H18A  LLJ 101          H18A      LLJ  23  21.820  19.875  28.678
  268    H19  LLJ 101           H19      LLJ  23  20.117  18.391  29.685
  269    H21  LLJ 101           H21      LLJ  23  23.077  16.674  32.262
  270   H122  LLJ 101          H122      LLJ  23  18.147  16.322  32.855
  271   H222  LLJ 101          H222      LLJ  23  19.212  15.429  33.969
  272   H123  LLJ 101          H123      LLJ  23  19.067  17.189  35.633
  273   H223  LLJ 101          H223      LLJ  23  17.403  16.825  35.106
  274   H124  LLJ 101          H124      LLJ  23  18.024  19.530  36.209
  275   H224  LLJ 101          H224      LLJ  23  16.496  18.975  35.479
  276   H125  LLJ 101          H125      LLJ  23  16.798  20.691  33.659
  277   H225  LLJ 101          H225      LLJ  23  16.639  21.423  35.273
  278   H126  LLJ 101          H126      LLJ  23  17.926  22.976  33.119
  279   H226  LLJ 101          H226      LLJ  23  17.785  23.402  34.835
  280   H127  LLJ 101          H127      LLJ  23  27.600  17.898  31.881
  281   H227  LLJ 101          H227      LLJ  23  28.065  18.281  30.213
  282   H128  LLJ 101          H128      LLJ  23  30.244  19.237  31.642
  283   H228  LLJ 101          H228      LLJ  23  29.268  18.779  33.056
  284    HN3  LLJ 101           HN3      LLJ  23  19.137  21.449  35.346
  285   H129  LLJ 101          H129      LLJ  23  30.221  21.604  32.375
  286   H229  LLJ 101          H229      LLJ  23  30.867  20.561  33.667
  287   HN3A  LLJ 101          HN2       LLJ  23  19.178  20.996  33.748
  288   H130  LLJ 101          H130      LLJ  23  29.332  23.294  34.025
  289   H230  LLJ 101          H230      LLJ  23  30.169  22.316  35.259
  290   H131  LLJ 101          H131      LLJ  23  27.810  21.770  36.190
  291   H231  LLJ 101          H231      LLJ  23  28.392  23.435  36.443
  292   H132  LLJ 101          H132      LLJ  23  25.407  22.105  35.920
  293   H232  LLJ 101          H232      LLJ  23  25.751  23.678  36.658
  294    HN4  LLJ 101           HN4      LLJ  23  27.062  24.213  34.641
  295   HN4A  LLJ 101          H40       LLJ  23  26.800  22.687  34.062
  Start of MODEL    4
    1    H5'   DC   1           H5'       DC   1  16.936  12.233  17.638
    2   H5''   DC   1          H5''       DC   1  15.967  13.253  18.718
    3    H4'   DC   1           H4'       DC   1  16.504  10.901  19.569
    4    H3'   DC   1           H3'       DC   1  16.236  13.242  21.061
    5    H2'   DC   1          H2''       DC   1  18.609  13.622  21.249
    6   H2''   DC   1          H2'        DC   1  18.286  12.655  22.726
    7    H1'   DC   1           H1'       DC   1  18.836  10.610  21.620
    8    H41   DC   1           H41       DC   1  24.968  12.524  20.249
    9    H42   DC   1           H42       DC   1  24.950  10.771  20.560
   10    H5    DC   1           H5        DC   1  22.989  13.839  20.283
   11    H6    DC   1           H6        DC   1  20.541  13.744  20.510
   12   HO5'   DC   1          HO5'       DC   1  18.742  13.317  18.261
   13    H5'   DG   2           H5'       DG   2  16.018   8.701  22.737
   14   H5''   DG   2          H5''       DG   2  14.447   8.075  23.266
   15    H4'   DG   2           H4'       DG   2  15.304   7.709  25.312
   16    H3'   DG   2           H3'       DG   2  14.826  10.415  25.588
   17    H2'   DG   2          H2''       DG   2  16.932  10.976  24.538
   18   H2''   DG   2          H2'        DG   2  17.310  11.148  26.284
   19    H1'   DG   2           H1'       DG   2  18.091   8.872  26.410
   20    H8    DG   2           H8        DG   2  18.964  11.656  24.226
   21    H1    DG   2           H1        DG   2  23.575   7.169  24.654
   22    H21   DG   2           H21       DG   2  20.947   5.312  25.886
   23    H22   DG   2           H22       DG   2  22.662   5.299  25.454
   24    H5'   DT   3          H5''       DT   3  15.688   6.644  27.546
   25   H5''   DT   3          H5'        DT   3  14.983   5.806  28.942
   26    H4'   DT   3           H4'       DT   3  17.199   5.559  29.467
   27    H3'   DT   3           H3'       DT   3  15.985   7.556  31.005
   28    H2'   DT   3           H2'       DT   3  17.033   9.325  29.679
   29   H2''   DT   3          H2''       DT   3  18.156   9.134  31.074
   30    H1'   DT   3           H1'       DT   3  19.349   7.349  29.929
   31    H3    DT   3           H3        DT   3  22.813   9.072  27.790
   32    H71   DT   3           H71       DT   3  20.413  12.859  26.528
   33    H72   DT   3           H72       DT   3  19.708  13.074  28.147
   34    H73   DT   3           H73       DT   3  18.716  12.415  26.825
   35    H6    DT   3           H6        DT   3  18.207  10.456  28.229
   36    H5'   DC   4           H5'       DC   4  19.679   4.598  32.517
   37   H5''   DC   4          H5''       DC   4  19.415   3.753  34.054
   38    H4'   DC   4           H4'       DC   4  21.286   4.925  34.637
   39    H3'   DC   4           H3'       DC   4  18.977   6.221  35.618
   40    H2'   DC   4           H2'       DC   4  19.166   8.070  34.121
   41   H2''   DC   4          H2''       DC   4  20.201   8.645  35.469
   42    H1'   DC   4           H1'       DC   4  22.174   7.745  34.478
   43    H41   DC   4           H41       DC   4  21.817  12.356  29.931
   44    H42   DC   4           H42       DC   4  23.458  11.741  29.944
   45    H5    DC   4           H5        DC   4  20.000  11.178  30.992
   46    H6    DC   4           H6        DC   4  19.471   9.406  32.606
   47    H5'   DG   5           H5'       DG   5  23.367   6.821  36.735
   48   H5''   DG   5          H5''       DG   5  23.351   6.515  38.481
   49    H4'   DG   5           H4'       DG   5  25.363   7.652  38.196
   50    H3'   DG   5           H3'       DG   5  23.455   9.008  39.627
   51    H2'   DG   5           H2'       DG   5  22.685  10.410  37.882
   52   H2''   DG   5          H2''       DG   5  23.998  11.440  38.538
   53    H1'   DG   5           H1'       DG   5  25.524  10.788  36.909
   54    H8    DG   5           H8        DG   5  21.887  10.001  35.698
   55    H1    DG   5           H1        DG   5  25.396  14.138  32.212
   56    H21   DG   5           H21       DG   5  27.943  12.911  34.182
   57    H22   DG   5           H22       DG   5  27.479  14.000  32.875
   58    H5'   DT   6           H5'       DT   6  27.403  11.077  38.775
   59   H5''   DT   6          H5''       DT   6  28.078  11.920  40.178
   60    H4'   DT   6           H4'       DT   6  28.679  13.182  38.258
   61    H3'   DT   6           H3'       DT   6  26.303  14.464  39.637
   62    H2'   DT   6          H2''       DT   6  26.471  16.204  38.114
   63   H2''   DT   6          H2'        DT   6  28.217  15.929  37.827
   64    H1'   DT   6           H1'       DT   6  27.680  14.598  36.050
   65    H3    DT   6           H3        DT   6  24.369  17.241  34.269
   66    H71   DT   6           H71       DT   6  21.921  14.248  37.853
   67    H72   DT   6           H72       DT   6  21.083  14.721  36.355
   68    H73   DT   6           H73       DT   6  21.922  13.154  36.449
   69    H6    DT   6           H6        DT   6  24.449  13.496  37.319
   70    H5'   DA   7          H5''       DA   7  29.967  16.748  39.100
   71   H5''   DA   7          H5'        DA   7  30.475  17.416  40.663
   72    H4'   DA   7           H4'       DA   7  30.952  18.919  38.706
   73    H3'   DA   7           H3'       DA   7  30.169  19.768  41.180
   74    H2'   DA   7           H2'       DA   7  27.794  19.713  40.676
   75   H2''   DA   7          H2''       DA   7  28.215  21.434  40.384
   76    H1'   DA   7           H1'       DA   7  28.536  21.105  38.076
   77    H8    DA   7           H8        DA   7  25.622  20.488  40.002
   78    H61   DA   7           H61       DA   7  22.475  20.225  36.146
   79    H62   DA   7           H62       DA   7  22.860  19.938  34.453
   80    H2    DA   7           H2        DA   7  26.967  19.122  33.853
   81    H5'   DG   8           H5'       DG   8  28.170  24.128  40.208
   82   H5''   DG   8          H5''       DG   8  29.228  23.451  38.954
   83    H4'   DG   8           H4'       DG   8  30.825  25.220  39.195
   84    H3'   DG   8           H3'       DG   8  30.464  25.171  41.863
   85    H2'   DG   8           H2'       DG   8  28.279  25.904  42.068
   86   H2''   DG   8          H2''       DG   8  29.026  27.523  41.990
   87    H1'   DG   8           H1'       DG   8  28.186  27.919  39.985
   88    H8    DG   8           H8        DG   8  26.135  26.072  41.974
   89    H1    DG   8           H1        DG   8  23.586  26.670  36.100
   90    H21   DG   8           H21       DG   8  26.846  26.654  35.044
   91    H22   DG   8           H22       DG   8  25.160  26.865  34.647
   92    H5'   DT   9           H5'       DT   9  30.695  28.440  38.920
   93   H5''   DT   9          H5''       DT   9  31.918  29.674  39.276
   94    H4'   DT   9           H4'       DT   9  30.310  30.763  37.934
   95    H3'   DT   9           H3'       DT   9  30.765  31.766  40.452
   96    H2'   DT   9          H2''       DT   9  28.797  30.661  41.399
   97   H2''   DT   9          H2'        DT   9  28.194  32.318  41.049
   98    H1'   DT   9           H1'       DT   9  27.440  31.659  38.857
   99    H3    DT   9           H3        DT   9  23.453  29.729  38.911
  100    H71   DT   9           H71       DT   9  25.911  27.783  43.130
  101    H72   DT   9           H72       DT   9  24.235  28.349  43.327
  102    H73   DT   9           H73       DT   9  25.592  29.445  43.681
  103    H6    DT   9           H6        DT   9  27.321  29.355  41.739
  104    H5'   DG  10          H5''       DG  10  28.074  34.458  37.332
  105   H5''   DG  10          H5'        DG  10  28.726  36.100  37.524
  106    H4'   DG  10           H4'       DG  10  26.430  36.514  37.296
  107    H3'   DG  10           H3'       DG  10  27.459  37.039  39.833
  108    H2'   DG  10          H2''       DG  10  26.649  34.910  40.680
  109   H2''   DG  10          H2'        DG  10  25.373  36.064  41.205
  110    H1'   DG  10           H1'       DG  10  24.169  35.732  39.099
  111    H8    DG  10           H8        DG  10  25.876  32.896  41.056
  112    H1    DG  10           H1        DG  10  19.557  32.229  39.992
  113    H21   DG  10           H21       DG  10  20.066  34.677  37.620
  114    H22   DG  10           H22       DG  10  18.949  33.574  38.385
  115    H5'   DC  11          H5''       DC  11  23.933  38.900  37.282
  116   H5''   DC  11          H5'        DC  11  24.017  40.656  37.032
  117    H4'   DC  11           H4'       DC  11  21.736  40.374  37.394
  118    H3'   DC  11           H3'       DC  11  22.982  41.672  39.485
  119   HO3'   DC  11          HO3'       DC  11  20.639  41.855  40.233
  120    H2'   DC  11          H2''       DC  11  23.240  39.728  40.854
  121   H2''   DC  11          H2'        DC  11  21.663  40.346  41.451
  122    H1'   DC  11           H1'       DC  11  20.453  38.995  39.987
  123    H41   DC  11           H41       DC  11  22.130  34.418  44.033
  124    H42   DC  11           H42       DC  11  20.584  33.990  43.260
  125    H5    DC  11           H5        DC  11  23.547  36.118  43.053
  126    H6    DC  11           H6        DC  11  23.649  37.874  41.351
  127    H5'   DG  12           H5'       DG  12  10.974  32.676  44.552
  128   H5''   DG  12          H5''       DG  12  10.123  31.184  44.103
  129    H4'   DG  12           H4'       DG  12  10.343  32.759  42.205
  130    H3'   DG  12           H3'       DG  12  10.866  30.013  42.099
  131    H2'   DG  12           H2'       DG  12  13.165  30.099  41.874
  132   H2''   DG  12          H2''       DG  12  12.771  30.462  40.169
  133    H1'   DG  12           H1'       DG  12  13.188  32.723  40.409
  134    H8    DG  12           H8        DG  12  14.762  30.211  42.700
  135    H1    DG  12           H1        DG  12  18.640  35.131  41.518
  136    H21   DG  12           H21       DG  12  16.046  36.238  39.549
  137    H22   DG  12           H22       DG  12  17.747  36.390  40.021
  138   HO5'   DG  12          HO5'       DG  12  12.901  31.580  44.451
  139    H5'   DC  13          H5''       DC  13  11.290  32.597  38.641
  140   H5''   DC  13          H5'        DC  13  10.635  32.070  37.080
  141    H4'   DC  13           H4'       DC  13  12.638  33.280  36.653
  142    H3'   DC  13           H3'       DC  13  12.374  30.685  35.696
  143    H2'   DC  13          H2''       DC  13  13.907  29.760  37.323
  144   H2''   DC  13          H2'        DC  13  15.018  30.135  35.964
  145    H1'   DC  13           H1'       DC  13  15.559  32.286  36.886
  146    H41   DC  13           H41       DC  13  18.168  28.863  41.796
  147    H42   DC  13           H42       DC  13  19.272  30.191  41.398
  148    H5    DC  13           H5        DC  13  16.090  28.544  40.715
  149    H6    DC  13           H6        DC  13  14.453  29.611  39.248
  150    H5'   DA  14          H5''       DA  14  16.855  32.967  35.042
  151   H5''   DA  14          H5'        DA  14  15.906  33.681  33.732
  152    H4'   DA  14           H4'       DA  14  17.902  33.972  32.739
  153    H3'   DA  14           H3'       DA  14  16.925  31.858  31.469
  154    H2'   DA  14          H2''       DA  14  17.525  30.160  33.083
  155   H2''   DA  14          H2'        DA  14  18.925  30.061  31.966
  156    H1'   DA  14           H1'       DA  14  20.300  31.122  33.429
  157    H8    DA  14           H8        DA  14  17.077  30.279  35.411
  158    H61   DA  14           H61       DA  14  19.675  29.094  39.581
  159    H62   DA  14           H62       DA  14  21.388  29.327  39.905
  160    H2    DA  14           H2        DA  14  23.325  31.234  36.644
  161    H5'   DC  15          H5''       DC  15  21.600  31.201  31.660
  162   H5''   DC  15          H5'        DC  15  21.985  32.093  30.179
  163    H4'   DC  15           H4'       DC  15  23.632  30.593  29.821
  164    H3'   DC  15           H3'       DC  15  21.607  29.490  28.470
  165    H2'   DC  15           H2'       DC  15  20.530  28.509  30.336
  166   H2''   DC  15          H2''       DC  15  21.465  27.109  29.735
  167    H1'   DC  15           H1'       DC  15  23.022  27.259  31.351
  168    H41   DC  15           H41       DC  15  19.460  26.960  36.486
  169    H42   DC  15           H42       DC  15  21.150  26.951  37.057
  170    H5    DC  15           H5        DC  15  18.879  28.051  34.402
  171    H6    DC  15           H6        DC  15  19.793  28.355  32.152
  172    H5'   DT  16          H5''       DT  16  26.906  28.523  31.293
  173   H5''   DT  16          H5'        DT  16  27.380  28.429  29.589
  174    H4'   DT  16           H4'       DT  16  28.179  26.484  30.892
  175    H3'   DT  16           H3'       DT  16  26.968  26.409  28.362
  176    H2'   DT  16           H2'       DT  16  24.914  25.774  29.554
  177   H2''   DT  16          H2''       DT  16  25.540  24.250  28.832
  178    H1'   DT  16           H1'       DT  16  27.064  24.105  30.760
  179    H3    DT  16           H3        DT  16  25.081  20.635  33.039
  180    H71   DT  16           H71       DT  16  21.037  22.648  31.883
  181    H72   DT  16           H72       DT  16  21.226  21.968  30.249
  182    H73   DT  16           H73       DT  16  21.497  23.705  30.527
  183    H6    DT  16           H6        DT  16  23.558  24.086  30.024
  184    H5'   DT  17           H5'       DT  17  29.876  22.991  26.329
  185   H5''   DT  17          H5''       DT  17  28.717  23.478  25.075
  186    H4'   DT  17           H4'       DT  17  28.003  22.627  27.909
  187    H3'   DT  17           H3'       DT  17  27.984  21.046  25.325
  188    H2'   DT  17           H2'       DT  17  25.773  20.476  25.665
  189   H2''   DT  17          H2''       DT  17  26.075  20.174  27.399
  190    H1'   DT  17           H1'       DT  17  25.394  22.258  28.002
  191    H3    DT  17           H3        DT  17  23.059  22.560  23.181
  192    H71   DT  17           H71       DT  17  20.673  23.546  27.753
  193    H72   DT  17           H72       DT  17  19.782  22.702  26.463
  194    H73   DT  17           H73       DT  17  20.579  21.768  27.752
  195    H6    DT  17           H6        DT  17  23.140  22.532  28.009
  196    H5'   DC  18           H5'       DC  18  31.049  19.101  29.660
  197   H5''   DC  18          H5''       DC  18  32.264  18.832  28.398
  198    H4'   DC  18           H4'       DC  18  32.231  16.971  29.990
  199    H3'   DC  18           H3'       DC  18  32.219  16.546  27.250
  200    H2'   DC  18           H2'       DC  18  29.806  16.335  27.202
  201   H2''   DC  18          H2''       DC  18  30.354  14.626  27.263
  202    H1'   DC  18           H1'       DC  18  30.285  14.599  29.669
  203    H41   DC  18           H41       DC  18  23.768  15.316  29.308
  204    H42   DC  18           H42       DC  18  24.041  15.151  31.024
  205    H5    DC  18           H5        DC  18  25.419  15.185  27.691
  206    H6    DC  18           H6        DC  18  27.838  15.092  27.296
  207    H5'   DG  19          H5''       DG  19  31.146  12.452  30.175
  208   H5''   DG  19          H5'        DG  19  32.886  12.780  30.212
  209    H4'   DG  19           H4'       DG  19  33.096  10.599  30.722
  210    H3'   DG  19           H3'       DG  19  33.525  10.672  28.060
  211    H2'   DG  19           H2'       DG  19  31.396  10.434  27.203
  212   H2''   DG  19          H2''       DG  19  31.696   8.689  27.445
  213    H1'   DG  19           H1'       DG  19  30.212   8.598  29.107
  214    H8    DG  19           H8        DG  19  30.011  11.846  27.297
  215    H1    DG  19           H1        DG  19  24.895  10.407  30.942
  216    H21   DG  19           H21       DG  19  26.988   7.959  32.101
  217    H22   DG  19           H22       DG  19  25.402   8.706  32.220
  218    H5'   DA  20          H5''       DA  20  32.951   5.299  29.020
  219   H5''   DA  20          H5'        DA  20  32.247   6.566  27.998
  220    H4'   DA  20           H4'       DA  20  30.752   4.553  29.734
  221    H3'   DA  20           H3'       DA  20  31.665   4.250  27.194
  222    H2'   DA  20           H2'       DA  20  30.940   6.453  26.493
  223   H2''   DA  20          H2''       DA  20  29.693   5.357  25.800
  224    H1'   DA  20           H1'       DA  20  28.399   5.453  27.683
  225    H8    DA  20           H8        DA  20  29.884   8.246  26.066
  226    H61   DA  20           H61       DA  20  25.728  11.021  25.835
  227    H62   DA  20           H62       DA  20  24.134  10.658  26.502
  228    H2    DA  20           H2        DA  20  24.220   7.068  28.813
  229    H5'   DC  21           H5'       DC  21  27.414   2.189  28.511
  230   H5''   DC  21          H5''       DC  21  27.390   0.449  28.847
  231    H4'   DC  21           H4'       DC  21  25.937   0.252  27.140
  232    H3'   DC  21           H3'       DC  21  28.315  -0.044  25.841
  233    H2'   DC  21           H2'       DC  21  28.622   2.325  25.462
  234   H2''   DC  21          H2''       DC  21  27.924   1.768  23.906
  235    H1'   DC  21           H1'       DC  21  25.772   2.238  24.551
  236    H41   DC  21           H41       DC  21  26.993   8.488  23.740
  237    H42   DC  21           H42       DC  21  25.262   8.383  23.965
  238    H5    DC  21           H5        DC  21  28.468   6.613  24.126
  239    H6    DC  21           H6        DC  21  28.532   4.227  24.628
  240    H5'   DG  22           H5'       DG  22  24.563   0.649  22.907
  241   H5''   DG  22          H5''       DG  22  24.699  -0.747  21.827
  242    H4'   DG  22           H4'       DG  22  23.829   0.939  20.475
  243    H3'   DG  22           H3'       DG  22  26.537   0.154  19.914
  244   HO3'   DG  22          HO3'       DG  22  24.817  -0.220  18.542
  245    H2'   DG  22           H2'       DG  22  27.442   2.329  20.147
  246   H2''   DG  22          H2''       DG  22  26.713   2.536  18.520
  247    H1'   DG  22           H1'       DG  22  24.694   3.333  19.383
  248    H8    DG  22           H8        DG  22  27.959   4.435  19.859
  249    H1    DG  22           H1        DG  22  23.499   8.828  21.297
  250    H21   DG  22           H21       DG  22  21.500   6.038  21.690
  251    H22   DG  22           H22       DG  22  21.593   7.798  21.582
  252    H1   LLJ 101           H1       LLJ  23  19.036  24.981  32.458
  253   H3N2  LLJ 101          H3N2      LLJ  23  27.630  20.450  32.202
  254   H4N2  LLJ 101          H30       LLJ  23  28.413  20.550  30.780
  255    H3   LLJ 101           H3       LLJ  23  21.288  25.832  31.882
  256    H6   LLJ 101           H6       LLJ  23  20.661  22.709  35.704
  257    HN1  LLJ 101           HN1      LLJ  23  19.925  18.164  33.016
  258    H17  LLJ 101           H17      LLJ  23  23.788  25.582  32.135
  259   HN1A  LLJ 101          H8        LLJ  23  20.942  17.039  33.670
  260    H18  LLJ 101           H18      LLJ  23  25.611  24.675  33.475
  261    H10  LLJ 101           H10      LLJ  23  22.945  22.845  36.246
  262   H111  LLJ 101          H111      LLJ  23  19.530  16.665  31.088
  263   H211  LLJ 101          H211      LLJ  23  20.777  15.603  31.777
  264    H12  LLJ 101           H12      LLJ  23  25.388  17.327  32.102
  265    H14  LLJ 101           H14      LLJ  23  26.498  20.506  29.452
  266    H15  LLJ 101           H15      LLJ  23  24.167  20.644  28.595
  267   H18A  LLJ 101          H18A      LLJ  23  21.868  19.873  28.678
  268    H19  LLJ 101           H19      LLJ  23  20.145  18.405  29.679
  269    H21  LLJ 101           H21      LLJ  23  23.073  16.666  32.279
  270   H122  LLJ 101          H122      LLJ  23  19.220  15.439  33.957
  271   H222  LLJ 101          H222      LLJ  23  18.158  16.341  32.849
  272   H123  LLJ 101          H123      LLJ  23  19.040  17.154  35.650
  273   H223  LLJ 101          H223      LLJ  23  17.384  16.819  35.080
  274   H124  LLJ 101          H124      LLJ  23  18.098  19.551  36.232
  275   H224  LLJ 101          H224      LLJ  23  16.546  18.995  35.554
  276   H125  LLJ 101          H125      LLJ  23  16.823  20.683  33.698
  277   H225  LLJ 101          H225      LLJ  23  16.674  21.427  35.307
  278   H126  LLJ 101          H126      LLJ  23  17.792  23.396  34.826
  279   H226  LLJ 101          H226      LLJ  23  17.953  22.961  33.114
  280   H127  LLJ 101          H127      LLJ  23  28.071  18.259  30.265
  281   H227  LLJ 101          H227      LLJ  23  27.614  17.924  31.945
  282   H128  LLJ 101          H128      LLJ  23  29.323  18.768  33.005
  283   H228  LLJ 101          H228      LLJ  23  30.266  19.254  31.577
  284    HN3  LLJ 101           HN3      LLJ  23  19.184  21.484  35.351
  285   H129  LLJ 101          H129      LLJ  23  30.902  20.541  33.634
  286   H229  LLJ 101          H229      LLJ  23  30.262  21.594  32.343
  287   HN3A  LLJ 101          HN2       LLJ  23  19.202  21.001  33.765
  288   H130  LLJ 101          H130      LLJ  23  29.358  23.270  33.995
  289   H230  LLJ 101          H230      LLJ  23  30.193  22.285  35.221
  290   H131  LLJ 101          H131      LLJ  23  27.859  21.767  36.185
  291   H231  LLJ 101          H231      LLJ  23  28.434  23.440  36.395
  292   H132  LLJ 101          H132      LLJ  23  25.788  23.734  36.619
  293   H232  LLJ 101          H232      LLJ  23  25.421  22.130  35.967
  294    HN4  LLJ 101           HN4      LLJ  23  27.090  24.164  34.592
  295   HN4A  LLJ 101          H40       LLJ  23  26.805  22.637  34.056
  Start of MODEL    5
    1    H5'   DC   1           H5'       DC   1  16.941  12.232  17.639
    2   H5''   DC   1          H5''       DC   1  16.005  13.276  18.726
    3    H4'   DC   1           H4'       DC   1  16.508  10.903  19.555
    4    H3'   DC   1           H3'       DC   1  16.231  13.228  21.057
    5    H2'   DC   1           H2'       DC   1  18.612  13.621  21.287
    6   H2''   DC   1          H2''       DC   1  18.267  12.618  22.736
    7    H1'   DC   1           H1'       DC   1  18.843  10.602  21.636
    8    H41   DC   1           H41       DC   1  24.976  12.500  20.200
    9    H42   DC   1           H42       DC   1  24.952  10.750  20.510
   10    H5    DC   1           H5        DC   1  22.999  13.828  20.289
   11    H6    DC   1           H6        DC   1  20.559  13.740  20.550
   12   HO5'   DC   1          HO5'       DC   1  18.781  13.268  18.266
   13    H5'   DG   2          H5''       DG   2  16.038   8.659  22.739
   14   H5''   DG   2          H5'        DG   2  14.463   8.044  23.272
   15    H4'   DG   2           H4'       DG   2  15.304   7.707  25.330
   16    H3'   DG   2           H3'       DG   2  14.835  10.424  25.566
   17    H2'   DG   2           H2'       DG   2  16.957  10.986  24.533
   18   H2''   DG   2          H2''       DG   2  17.314  11.138  26.285
   19    H1'   DG   2           H1'       DG   2  18.097   8.883  26.427
   20    H8    DG   2           H8        DG   2  18.982  11.654  24.231
   21    H1    DG   2           H1        DG   2  23.591   7.171  24.661
   22    H21   DG   2           H21       DG   2  20.957   5.318  25.910
   23    H22   DG   2           H22       DG   2  22.686   5.312  25.502
   24    H5'   DT   3          H5''       DT   3  15.687   6.656  27.533
   25   H5''   DT   3          H5'        DT   3  14.980   5.813  28.925
   26    H4'   DT   3           H4'       DT   3  17.199   5.562  29.453
   27    H3'   DT   3           H3'       DT   3  15.980   7.551  31.004
   28    H2'   DT   3          H2''       DT   3  17.008   9.306  29.666
   29   H2''   DT   3          H2'        DT   3  18.121   9.167  31.075
   30    H1'   DT   3           H1'       DT   3  19.343   7.371  29.928
   31    H3    DT   3           H3        DT   3  22.812   9.086  27.818
   32    H71   DT   3           H71       DT   3  20.454  12.883  26.543
   33    H72   DT   3           H72       DT   3  19.759  13.095  28.168
   34    H73   DT   3           H73       DT   3  18.751  12.463  26.844
   35    H6    DT   3           H6        DT   3  18.227  10.494  28.231
   36    H5'   DC   4          H5''       DC   4  19.679   4.595  32.515
   37   H5''   DC   4          H5'        DC   4  19.403   3.771  34.061
   38    H4'   DC   4           H4'       DC   4  21.284   4.934  34.630
   39    H3'   DC   4           H3'       DC   4  18.980   6.230  35.633
   40    H2'   DC   4          H2''       DC   4  19.172   8.059  34.111
   41   H2''   DC   4          H2'        DC   4  20.192   8.664  35.457
   42    H1'   DC   4           H1'       DC   4  22.176   7.736  34.467
   43    H41   DC   4           H41       DC   4  21.784  12.372  29.961
   44    H42   DC   4           H42       DC   4  23.426  11.746  29.911
   45    H5    DC   4           H5        DC   4  19.996  11.199  30.997
   46    H6    DC   4           H6        DC   4  19.478   9.439  32.630
   47    H5'   DG   5          H5''       DG   5  23.381   6.824  36.734
   48   H5''   DG   5          H5'        DG   5  23.356   6.542  38.483
   49    H4'   DG   5           H4'       DG   5  25.378   7.644  38.191
   50    H3'   DG   5           H3'       DG   5  23.481   9.017  39.620
   51    H2'   DG   5           H2'       DG   5  22.710  10.394  37.854
   52   H2''   DG   5          H2''       DG   5  24.009  11.439  38.511
   53    H1'   DG   5           H1'       DG   5  25.548  10.794  36.892
   54    H8    DG   5           H8        DG   5  21.913   9.997  35.666
   55    H1    DG   5           H1        DG   5  25.394  14.194  32.233
   56    H21   DG   5           H21       DG   5  27.956  12.903  34.172
   57    H22   DG   5           H22       DG   5  27.511  13.997  32.858
   58    H5'   DT   6           H5'       DT   6  27.420  11.094  38.778
   59   H5''   DT   6          H5''       DT   6  28.090  11.936  40.183
   60    H4'   DT   6           H4'       DT   6  28.706  13.199  38.267
   61    H3'   DT   6           H3'       DT   6  26.313  14.456  39.644
   62    H2'   DT   6          H2''       DT   6  26.469  16.209  38.123
   63   H2''   DT   6          H2'        DT   6  28.216  15.947  37.836
   64    H1'   DT   6           H1'       DT   6  27.689  14.626  36.051
   65    H3    DT   6           H3        DT   6  24.346  17.222  34.268
   66    H71   DT   6           H71       DT   6  21.934  14.224  37.862
   67    H72   DT   6           H72       DT   6  21.091  14.697  36.368
   68    H73   DT   6           H73       DT   6  21.933  13.131  36.458
   69    H6    DT   6           H6        DT   6  24.469  13.470  37.312
   70    H5'   DA   7          H5''       DA   7  29.969  16.743  39.135
   71   H5''   DA   7          H5'        DA   7  30.468  17.411  40.702
   72    H4'   DA   7           H4'       DA   7  30.949  18.910  38.737
   73    H3'   DA   7           H3'       DA   7  30.184  19.787  41.212
   74    H2'   DA   7           H2'       DA   7  27.802  19.723  40.705
   75   H2''   DA   7          H2''       DA   7  28.224  21.443  40.405
   76    H1'   DA   7           H1'       DA   7  28.561  21.094  38.092
   77    H8    DA   7           H8        DA   7  25.633  20.473  40.015
   78    H61   DA   7           H61       DA   7  22.496  20.159  36.176
   79    H62   DA   7           H62       DA   7  22.855  19.865  34.471
   80    H2    DA   7           H2        DA   7  26.987  19.102  33.866
   81    H5'   DG   8          H5''       DG   8  28.169  24.117  40.190
   82   H5''   DG   8          H5'        DG   8  29.239  23.443  38.945
   83    H4'   DG   8           H4'       DG   8  30.822  25.212  39.178
   84    H3'   DG   8           H3'       DG   8  30.477  25.150  41.846
   85    H2'   DG   8           H2'       DG   8  28.291  25.874  42.057
   86   H2''   DG   8          H2''       DG   8  29.037  27.494  41.996
   87    H1'   DG   8           H1'       DG   8  28.198  27.914  39.991
   88    H8    DG   8           H8        DG   8  26.130  26.084  41.985
   89    H1    DG   8           H1        DG   8  23.582  26.678  36.111
   90    H21   DG   8           H21       DG   8  26.824  26.716  35.052
   91    H22   DG   8           H22       DG   8  25.131  26.920  34.673
   92    H5'   DT   9           H5'       DT   9  30.713  28.444  38.916
   93   H5''   DT   9          H5''       DT   9  31.937  29.681  39.260
   94    H4'   DT   9           H4'       DT   9  30.325  30.759  37.927
   95    H3'   DT   9           H3'       DT   9  30.786  31.777  40.448
   96    H2'   DT   9           H2'       DT   9  28.798  30.708  41.419
   97   H2''   DT   9          H2''       DT   9  28.206  32.351  40.991
   98    H1'   DT   9           H1'       DT   9  27.458  31.647  38.839
   99    H3    DT   9           H3        DT   9  23.476  29.697  38.892
  100    H71   DT   9           H71       DT   9  25.619  29.448  43.681
  101    H72   DT   9           H72       DT   9  24.256  28.359  43.325
  102    H73   DT   9           H73       DT   9  25.929  27.785  43.126
  103    H6    DT   9           H6        DT   9  27.346  29.354  41.730
  104    H5'   DG  10          H5''       DG  10  28.091  34.476  37.314
  105   H5''   DG  10          H5'        DG  10  28.729  36.121  37.518
  106    H4'   DG  10           H4'       DG  10  26.433  36.524  37.286
  107    H3'   DG  10           H3'       DG  10  27.465  37.029  39.835
  108    H2'   DG  10          H2''       DG  10  26.648  34.900  40.664
  109   H2''   DG  10          H2'        DG  10  25.371  36.051  41.191
  110    H1'   DG  10           H1'       DG  10  24.171  35.731  39.086
  111    H8    DG  10           H8        DG  10  25.877  32.876  41.024
  112    H1    DG  10           H1        DG  10  19.541  32.264  40.008
  113    H21   DG  10           H21       DG  10  20.090  34.670  37.606
  114    H22   DG  10           H22       DG  10  18.957  33.594  38.384
  115    H5'   DC  11          H5''       DC  11  23.969  38.947  37.279
  116   H5''   DC  11          H5'        DC  11  24.022  40.707  37.052
  117    H4'   DC  11           H4'       DC  11  21.750  40.375  37.405
  118    H3'   DC  11           H3'       DC  11  22.990  41.671  39.509
  119   HO3'   DC  11          HO3'       DC  11  20.652  41.829  40.273
  120    H2'   DC  11          H2''       DC  11  23.275  39.710  40.867
  121   H2''   DC  11          H2'        DC  11  21.699  40.314  41.481
  122    H1'   DC  11           H1'       DC  11  20.487  38.983  39.992
  123    H41   DC  11           H41       DC  11  22.117  34.429  44.090
  124    H42   DC  11           H42       DC  11  20.567  34.022  43.324
  125    H5    DC  11           H5        DC  11  23.555  36.124  43.090
  126    H6    DC  11           H6        DC  11  23.683  37.839  41.352
  127    H5'   DG  12          H5''       DG  12  10.909  32.666  44.511
  128   H5''   DG  12          H5'        DG  12  10.108  31.154  44.042
  129    H4'   DG  12           H4'       DG  12  10.338  32.756  42.155
  130    H3'   DG  12           H3'       DG  12  10.854  30.005  42.080
  131    H2'   DG  12           H2'       DG  12  13.160  30.088  41.888
  132   H2''   DG  12          H2''       DG  12  12.790  30.423  40.172
  133    H1'   DG  12           H1'       DG  12  13.202  32.689  40.381
  134    H8    DG  12           H8        DG  12  14.804  30.176  42.630
  135    H1    DG  12           H1        DG  12  18.634  35.157  41.574
  136    H21   DG  12           H21       DG  12  16.065  36.253  39.563
  137    H22   DG  12           H22       DG  12  17.745  36.421  40.079
  138   HO5'   DG  12          HO5'       DG  12  12.873  31.596  44.434
  139    H5'   DC  13           H5'       DC  13  11.319  32.590  38.652
  140   H5''   DC  13          H5''       DC  13  10.643  32.098  37.088
  141    H4'   DC  13           H4'       DC  13  12.656  33.278  36.663
  142    H3'   DC  13           H3'       DC  13  12.376  30.695  35.683
  143    H2'   DC  13           H2'       DC  13  13.903  29.748  37.312
  144   H2''   DC  13          H2''       DC  13  15.011  30.145  35.958
  145    H1'   DC  13           H1'       DC  13  15.559  32.275  36.877
  146    H41   DC  13           H41       DC  13  18.195  28.857  41.782
  147    H42   DC  13           H42       DC  13  19.292  30.190  41.381
  148    H5    DC  13           H5        DC  13  16.111  28.547  40.719
  149    H6    DC  13           H6        DC  13  14.469  29.596  39.244
  150    H5'   DA  14           H5'       DA  14  16.891  32.977  35.050
  151   H5''   DA  14          H5''       DA  14  15.936  33.699  33.745
  152    H4'   DA  14           H4'       DA  14  17.945  33.966  32.747
  153    H3'   DA  14           H3'       DA  14  16.934  31.856  31.479
  154    H2'   DA  14          H2''       DA  14  17.539  30.155  33.071
  155   H2''   DA  14          H2'        DA  14  18.942  30.064  31.959
  156    H1'   DA  14           H1'       DA  14  20.313  31.106  33.434
  157    H8    DA  14           H8        DA  14  17.087  30.263  35.407
  158    H61   DA  14           H61       DA  14  19.704  29.037  39.565
  159    H62   DA  14           H62       DA  14  21.413  29.307  39.886
  160    H2    DA  14           H2        DA  14  23.330  31.227  36.642
  161    H5'   DC  15           H5'       DC  15  21.591  31.159  31.662
  162   H5''   DC  15          H5''       DC  15  21.994  32.088  30.209
  163    H4'   DC  15           H4'       DC  15  23.635  30.585  29.823
  164    H3'   DC  15           H3'       DC  15  21.608  29.492  28.471
  165    H2'   DC  15          H2''       DC  15  20.530  28.515  30.328
  166   H2''   DC  15          H2'        DC  15  21.444  27.104  29.717
  167    H1'   DC  15           H1'       DC  15  23.019  27.248  31.328
  168    H41   DC  15           H41       DC  15  19.453  26.955  36.495
  169    H42   DC  15           H42       DC  15  21.139  26.960  37.073
  170    H5    DC  15           H5        DC  15  18.877  28.043  34.388
  171    H6    DC  15           H6        DC  15  19.792  28.352  32.150
  172    H5'   DT  16          H5''       DT  16  26.876  28.491  31.283
  173   H5''   DT  16          H5'        DT  16  27.351  28.411  29.579
  174    H4'   DT  16           H4'       DT  16  28.176  26.464  30.862
  175    H3'   DT  16           H3'       DT  16  26.951  26.397  28.349
  176    H2'   DT  16           H2'       DT  16  24.894  25.762  29.537
  177   H2''   DT  16          H2''       DT  16  25.513  24.240  28.805
  178    H1'   DT  16           H1'       DT  16  27.042  24.077  30.721
  179    H3    DT  16           H3        DT  16  25.076  20.619  33.031
  180    H71   DT  16           H71       DT  16  21.499  23.690  30.529
  181    H72   DT  16           H72       DT  16  21.211  21.955  30.260
  182    H73   DT  16           H73       DT  16  21.037  22.643  31.892
  183    H6    DT  16           H6        DT  16  23.540  24.063  30.026
  184    H5'   DT  17          H5''       DT  17  29.885  23.015  26.333
  185   H5''   DT  17          H5'        DT  17  28.715  23.485  25.084
  186    H4'   DT  17           H4'       DT  17  28.016  22.625  27.917
  187    H3'   DT  17           H3'       DT  17  27.994  21.051  25.327
  188    H2'   DT  17          H2''       DT  17  25.785  20.474  25.684
  189   H2''   DT  17          H2'        DT  17  26.096  20.168  27.417
  190    H1'   DT  17           H1'       DT  17  25.415  22.265  28.017
  191    H3    DT  17           H3        DT  17  23.077  22.568  23.194
  192    H71   DT  17           H71       DT  17  20.695  23.573  27.761
  193    H72   DT  17           H72       DT  17  19.799  22.740  26.468
  194    H73   DT  17           H73       DT  17  20.586  21.796  27.754
  195    H6    DT  17           H6        DT  17  23.158  22.542  28.017
  196    H5'   DC  18          H5''       DC  18  31.063  19.108  29.670
  197   H5''   DC  18          H5'        DC  18  32.277  18.842  28.408
  198    H4'   DC  18           H4'       DC  18  32.254  16.976  29.985
  199    H3'   DC  18           H3'       DC  18  32.233  16.548  27.254
  200    H2'   DC  18          H2''       DC  18  29.820  16.362  27.231
  201   H2''   DC  18          H2'        DC  18  30.351  14.646  27.236
  202    H1'   DC  18           H1'       DC  18  30.307  14.592  29.663
  203    H41   DC  18           H41       DC  18  23.767  15.304  29.294
  204    H42   DC  18           H42       DC  18  24.048  15.147  31.008
  205    H5    DC  18           H5        DC  18  25.437  15.200  27.687
  206    H6    DC  18           H6        DC  18  27.850  15.074  27.288
  207    H5'   DG  19          H5''       DG  19  31.151  12.456  30.170
  208   H5''   DG  19          H5'        DG  19  32.891  12.785  30.213
  209    H4'   DG  19           H4'       DG  19  33.108  10.596  30.709
  210    H3'   DG  19           H3'       DG  19  33.519  10.670  28.045
  211    H2'   DG  19          H2''       DG  19  31.379  10.438  27.207
  212   H2''   DG  19          H2'        DG  19  31.682   8.690  27.429
  213    H1'   DG  19           H1'       DG  19  30.218   8.596  29.127
  214    H8    DG  19           H8        DG  19  30.014  11.836  27.307
  215    H1    DG  19           H1        DG  19  24.884  10.399  30.937
  216    H21   DG  19           H21       DG  19  26.988   7.950  32.096
  217    H22   DG  19           H22       DG  19  25.410   8.718  32.222
  218    H5'   DA  20           H5'       DA  20  32.952   5.300  29.072
  219   H5''   DA  20          H5''       DA  20  32.275   6.541  28.005
  220    H4'   DA  20           H4'       DA  20  30.757   4.533  29.732
  221    H3'   DA  20           H3'       DA  20  31.681   4.245  27.199
  222    H2'   DA  20           H2'       DA  20  30.953   6.444  26.489
  223   H2''   DA  20          H2''       DA  20  29.712   5.340  25.797
  224    H1'   DA  20           H1'       DA  20  28.410   5.441  27.668
  225    H8    DA  20           H8        DA  20  29.887   8.235  26.074
  226    H61   DA  20           H61       DA  20  25.744  10.994  25.804
  227    H62   DA  20           H62       DA  20  24.147  10.663  26.486
  228    H2    DA  20           H2        DA  20  24.199   7.038  28.767
  229    H5'   DC  21          H5''       DC  21  27.414   2.155  28.519
  230   H5''   DC  21          H5'        DC  21  27.413   0.408  28.818
  231    H4'   DC  21           H4'       DC  21  25.939   0.229  27.134
  232    H3'   DC  21           H3'       DC  21  28.317  -0.057  25.833
  233    H2'   DC  21           H2'       DC  21  28.622   2.316  25.480
  234   H2''   DC  21          H2''       DC  21  27.925   1.778  23.917
  235    H1'   DC  21           H1'       DC  21  25.778   2.245  24.563
  236    H41   DC  21           H41       DC  21  27.022   8.473  23.760
  237    H42   DC  21           H42       DC  21  25.283   8.383  23.979
  238    H5    DC  21           H5        DC  21  28.471   6.607  24.119
  239    H6    DC  21           H6        DC  21  28.547   4.223  24.638
  240    H5'   DG  22          H5''       DG  22  24.572   0.629  22.914
  241   H5''   DG  22          H5'        DG  22  24.689  -0.759  21.820
  242    H4'   DG  22           H4'       DG  22  23.824   0.925  20.475
  243    H3'   DG  22           H3'       DG  22  26.520   0.126  19.900
  244   HO3'   DG  22          HO3'       DG  22  24.816  -0.206  18.494
  245    H2'   DG  22           H2'       DG  22  27.447   2.309  20.164
  246   H2''   DG  22          H2''       DG  22  26.729   2.529  18.532
  247    H1'   DG  22           H1'       DG  22  24.704   3.321  19.384
  248    H8    DG  22           H8        DG  22  27.972   4.419  19.890
  249    H1    DG  22           H1        DG  22  23.505   8.824  21.270
  250    H21   DG  22           H21       DG  22  21.494   6.043  21.672
  251    H22   DG  22           H22       DG  22  21.593   7.795  21.551
  252    H1   LLJ 101           H1       LLJ  23  19.021  24.977  32.438
  253   H3N2  LLJ 101          H3N2      LLJ  23  27.619  20.443  32.188
  254   H4N2  LLJ 101          H30       LLJ  23  28.422  20.519  30.783
  255    H3   LLJ 101           H3       LLJ  23  21.276  25.808  31.849
  256    H6   LLJ 101           H6       LLJ  23  20.640  22.735  35.711
  257    HN1  LLJ 101           HN1      LLJ  23  19.939  18.172  33.042
  258    H17  LLJ 101           H17      LLJ  23  23.773  25.566  32.108
  259   HN1A  LLJ 101          H8        LLJ  23  20.973  17.045  33.663
  260    H18  LLJ 101           H18      LLJ  23  25.593  24.691  33.468
  261    H10  LLJ 101           H10      LLJ  23  22.939  22.867  36.246
  262   H111  LLJ 101          H111      LLJ  23  20.720  15.621  31.756
  263   H211  LLJ 101          H211      LLJ  23  19.483  16.725  31.113
  264    H12  LLJ 101           H12      LLJ  23  25.350  17.326  32.083
  265    H14  LLJ 101           H14      LLJ  23  26.481  20.509  29.447
  266    H15  LLJ 101           H15      LLJ  23  24.161  20.637  28.574
  267   H18A  LLJ 101          H18A      LLJ  23  21.844  19.876  28.655
  268    H19  LLJ 101           H19      LLJ  23  20.114  18.432  29.688
  269    H21  LLJ 101           H21      LLJ  23  23.048  16.683  32.276
  270   H122  LLJ 101          H122      LLJ  23  18.170  16.326  32.898
  271   H222  LLJ 101          H222      LLJ  23  19.244  15.458  34.022
  272   H123  LLJ 101          H123      LLJ  23  19.065  17.217  35.675
  273   H223  LLJ 101          H223      LLJ  23  17.408  16.854  35.130
  274   H124  LLJ 101          H124      LLJ  23  16.532  19.008  35.543
  275   H224  LLJ 101          H224      LLJ  23  18.075  19.574  36.233
  276   H125  LLJ 101          H125      LLJ  23  16.657  21.445  35.303
  277   H225  LLJ 101          H225      LLJ  23  16.806  20.701  33.694
  278   H126  LLJ 101          H126      LLJ  23  17.915  22.989  33.143
  279   H226  LLJ 101          H226      LLJ  23  17.792  23.415  34.861
  280   H127  LLJ 101          H127      LLJ  23  27.564  17.909  31.957
  281   H227  LLJ 101          H227      LLJ  23  28.043  18.215  30.277
  282   H128  LLJ 101          H128      LLJ  23  30.253  19.200  31.631
  283   H228  LLJ 101          H228      LLJ  23  29.286  18.773  33.062
  284    HN3  LLJ 101           HN3      LLJ  23  19.159  21.494  35.349
  285   H129  LLJ 101          H129      LLJ  23  30.259  21.580  32.327
  286   H229  LLJ 101          H229      LLJ  23  30.897  20.554  33.640
  287   HN3A  LLJ 101          HN2       LLJ  23  19.181  21.027  33.755
  288   H130  LLJ 101          H130      LLJ  23  30.188  22.337  35.219
  289   H230  LLJ 101          H230      LLJ  23  29.330  23.310  33.997
  290   H131  LLJ 101          H131      LLJ  23  28.414  23.428  36.430
  291   H231  LLJ 101          H231      LLJ  23  27.830  21.766  36.161
  292   H132  LLJ 101          H132      LLJ  23  25.409  22.103  35.884
  293   H232  LLJ 101          H232      LLJ  23  25.741  23.669  36.642
  294    HN4  LLJ 101           HN4      LLJ  23  27.094  24.220  34.643
  295   HN4A  LLJ 101          H40       LLJ  23  26.817  22.720  34.039