*HEADER    DNA                                     26-JUL-01   1JO1              
*TITLE     N7-GUANINE ADDUCT OF 2,7-DIAMINOMITOSENE WITH DNA                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*GP*TP*GP*(DAJ)GP*TP*AP*TP*AP*CP*CP*AP*C)-            
*COMPND   3 3';                                                                  
*COMPND   4 CHAIN: A, B;                                                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHESIZED USING ABI-380B SYNTHESIZER                
*KEYWDS    DOUBLE HELIX, MAJOR GROOVE BINDING DRUG, GUANINE-N7-                  
*KEYWDS   2 ALKYLATOR                                                            
*EXPDTA    NMR                                                                   
*AUTHOR    G.SUBRAMANIAM, M.M.PAZ, G.S.KUMAR, A.DAS, Y.PALOM,                    
*AUTHOR   2 C.C.CLEMENT, D.J.PATEL, M.TOMASZ                                     
*REVDAT   1   12-SEP-01 1JO1    0                                                
--------------------------------------------------------------------------------
These are intradna NOEs
!! Base to base NOEs

  assign     (resid 1  and name H8   and segid DNA1)
             (resid 2  and name H6   and segid DNA1)  3.9   0.60  0.80

  assign     (resid 1  and name H8   and segid DNA1)
             (resid 2  and name H5#  and segid DNA1)  3.1   0.50  1.00

  assign     (resid 2  and name H6   and segid DNA1)
             (resid 3  and name H8   and segid DNA1)  4.7   1.00  0.50

  assign     (resid 5  and name H6   and segid DNA1)
             (resid 6  and name H8   and segid DNA1)  4.7   1.00  0.50

  assign     (resid 6  and name H8   and segid DNA1)
             (resid 7  and name H6   and segid DNA1)  4.0   0.80  0.80

  assign     (resid 6  and name H8   and segid DNA1)
             (resid 7  and name H5#  and segid DNA1)  3.1   0.50  1.00

  assign     (resid 8  and name H8   and segid DNA1)
             (resid 9  and name H6   and segid DNA1)  3.9   0.80  0.80

  assign     (resid 8  and name H8   and segid DNA1)
             (resid 9  and name H5   and segid DNA1)  3.9   0.80  0.80

  assign     (resid 9  and name H6   and segid DNA1)
             (resid 10 and name H6   and segid DNA1)  3.7   0.80  0.80

  assign     (resid 9  and name H6   and segid DNA1)
             (resid 10 and name H5   and segid DNA1)  3.8   0.80  0.80

  assign     (resid 11 and name H8   and segid DNA1)
             (resid 12 and name H6   and segid DNA1)  3.4   0.50  1.00

  assign     (resid 11 and name H8   and segid DNA1)
             (resid 12 and name H5   and segid DNA1)  3.8   0.50  1.00

!! These are base to H1' NOEs

  assign     (resid 1  and name H1'  and segid DNA1)
             (resid 1  and name H8   and segid DNA1)  3.2   0.50  0.60

  assign     (resid 1  and name H1'  and segid DNA1)
             (resid 2  and name H6   and segid DNA1)  3.4   0.70  0.70

  assign     (resid 2  and name H1'  and segid DNA1)
             (resid 2  and name H6   and segid DNA1)  3.2   0.50  0.60

  assign     (resid 2  and name H1'  and segid DNA1)
             (resid 3  and name H8   and segid DNA1)  3.7   0.70  0.70

  assign     (resid 3  and name H1'  and segid DNA1)
             (resid 3  and name H8   and segid DNA1)  3.5   0.70  0.70

  assign     (resid 4  and name H1'  and segid DNA1)
             (resid 5  and name H6   and segid DNA1)  3.7   0.70  0.70

  assign     (resid 5  and name H1'  and segid DNA1)
             (resid 5  and name H6   and segid DNA1)  3.7   0.70  0.70

  assign     (resid 5  and name H1'  and segid DNA1)
             (resid 6  and name H8   and segid DNA1)  3.3   0.70  0.70

  assign     (resid 6  and name H1'  and segid DNA1)
             (resid 6  and name H8   and segid DNA1)  3.7   0.70  0.70

  assign     (resid 6  and name H1'  and segid DNA1)
             (resid 7  and name H6   and segid DNA1)  3.8   0.70  0.70

  assign     (resid 7  and name H1'  and segid DNA1)
             (resid 7  and name H6   and segid DNA1)  3.8   0.80  0.80

  assign     (resid 7  and name H1'  and segid DNA1)
             (resid 8  and name H8   and segid DNA1)  3.7   0.80  0.80

  assign     (resid 8  and name H1'  and segid DNA1)
             (resid 8  and name H8   and segid DNA1)  3.7   0.80  0.80

  assign     (resid 8  and name H1'  and segid DNA1)
             (resid 9  and name H6   and segid DNA1)  3.7   0.80  0.80

  assign     (resid 9  and name H1'  and segid DNA1)
             (resid 9  and name H6   and segid DNA1)  3.7   0.80  0.80

  assign     (resid 9  and name H1'  and segid DNA1)
             (resid 10 and name H6   and segid DNA1)  3.3   0.60  0.60

  assign     (resid 10 and name H1'  and segid DNA1)
             (resid 10 and name H6   and segid DNA1)  3.3   0.60  0.60

  assign     (resid 10 and name H1'  and segid DNA1)
             (resid 11 and name H8   and segid DNA1)  3.7   0.80  0.80

  assign     (resid 11 and name H1'  and segid DNA1)
             (resid 11 and name H8   and segid DNA1)  3.4   0.70  0.70

  assign     (resid 11 and name H1'  and segid DNA1)
             (resid 12 and name H6   and segid DNA1)  3.3   0.70  0.70

  assign     (resid 12 and name H1'  and segid DNA1)
             (resid 12 and name H6   and segid DNA1)  3.4   0.70  0.70

!! These are base to H2' NOEs

  assign     (resid 1  and name H2'  and segid DNA1)
             (resid 1  and name H8   and segid DNA1)  1.9   0.30  0.45

  assign     (resid 2  and name H2'  and segid DNA1)
             (resid 2  and name H6   and segid DNA1)  2.0   0.30  0.45

  assign     (resid 3  and name H2'  and segid DNA1)
             (resid 3  and name H8   and segid DNA1)  2.1   0.30  0.45

  assign     (resid 5  and name H2'  and segid DNA1)
             (resid 5  and name H6   and segid DNA1)  2.0   0.30  0.45

  assign     (resid 6  and name H2'  and segid DNA1)
             (resid 6  and name H8   and segid DNA1)  2.1   0.30  0.45

  assign     (resid 7  and name H2'  and segid DNA1)
             (resid 7  and name H6   and segid DNA1)  2.0   0.30  0.45

  assign     (resid 8  and name H2'  and segid DNA1)
             (resid 8  and name H8   and segid DNA1)  2.1   0.30  0.45

  assign     (resid 9  and name H2'  and segid DNA1)
             (resid 9  and name H6   and segid DNA1)  2.1   0.30  0.45

  assign     (resid 10 and name H2'  and segid DNA1)
             (resid 10 and name H6   and segid DNA1)  2.1   0.30  0.45

  assign     (resid 11 and name H2'  and segid DNA1)
             (resid 11 and name H8   and segid DNA1)  1.8   0.30  0.45

  assign     (resid 12 and name H2'  and segid DNA1)
             (resid 12 and name H6   and segid DNA1)  2.1   0.30  0.45

!! These are base to H2''NOEs

  assign     (resid 1  and name H2'' and segid DNA1)
             (resid 2  and name H6   and segid DNA1)  2.2   0.30  0.45

  assign     (resid 2  and name H2'' and segid DNA1)
             (resid 3  and name H8   and segid DNA1)  2.2   0.30  0.45

  assign     (resid 4  and name H2'' and segid DNA1)
             (resid 5  and name H6   and segid DNA1)  2.3   0.30  0.45

  assign     (resid 5  and name H2'' and segid DNA1)
             (resid 6  and name H8   and segid DNA1)  2.1   0.30  0.45

  assign     (resid 6  and name H2'' and segid DNA1)
             (resid 7  and name H6   and segid DNA1)  2.2   0.30  0.45

  assign     (resid 7  and name H2'' and segid DNA1)
             (resid 8  and name H8   and segid DNA1)  2.1   0.30  0.45

  assign     (resid 8  and name H2'' and segid DNA1)
             (resid 9  and name H6   and segid DNA1)  2.1   0.30  0.45

  assign     (resid 9  and name H2'' and segid DNA1)
             (resid 10 and name H6   and segid DNA1)  2.1   0.30  0.45

  assign     (resid 10 and name H2'' and segid DNA1)
             (resid 11 and name H8   and segid DNA1)  2.2   0.30  0.45

  assign     (resid 11 and name H2'' and segid DNA1)
             (resid 12 and name H6   and segid DNA1)  2.1   0.30  0.45

!! This is for the other strand

!! Base to base NOEs

  assign     (resid 1  and name H8   and segid DNA2)
             (resid 2  and name H6   and segid DNA2)  3.9   0.60  0.80

  assign     (resid 1  and name H8   and segid DNA2)
             (resid 2  and name H5#  and segid DNA2)  3.1   0.50  1.00

  assign     (resid 2  and name H6   and segid DNA2)
             (resid 3  and name H8   and segid DNA2)  4.7   1.00  0.50

  assign     (resid 5  and name H6   and segid DNA2)
             (resid 6  and name H8   and segid DNA2)  4.7   1.00  0.50

  assign     (resid 6  and name H8   and segid DNA2)
             (resid 7  and name H6   and segid DNA2)  4.0   0.80  0.80

  assign     (resid 6  and name H8   and segid DNA2)
             (resid 7  and name H5#  and segid DNA2)  3.1   0.50  1.00

  assign     (resid 8  and name H8   and segid DNA2)
             (resid 9  and name H6   and segid DNA2)  3.9   0.80  0.80

  assign     (resid 8  and name H8   and segid DNA2)
             (resid 9  and name H5   and segid DNA2)  3.9   0.80  0.80

  assign     (resid 9  and name H6   and segid DNA2)
             (resid 10 and name H6   and segid DNA2)  3.7   0.80  0.80

  assign     (resid 9  and name H6   and segid DNA2)
             (resid 10 and name H5   and segid DNA2)  3.8   0.80  0.80

  assign     (resid 11 and name H8   and segid DNA2)
             (resid 12 and name H6   and segid DNA2)  3.4   0.50  1.00

  assign     (resid 11 and name H8   and segid DNA2)
             (resid 12 and name H5   and segid DNA2)  3.8   0.50  1.00

!! These are base to H1' NOEs

  assign     (resid 1  and name H1'  and segid DNA2)
             (resid 1  and name H8   and segid DNA2)  3.2   0.50  0.60

  assign     (resid 1  and name H1'  and segid DNA2)
             (resid 2  and name H6   and segid DNA2)  3.4   0.70  0.70

  assign     (resid 2  and name H1'  and segid DNA2)
             (resid 2  and name H6   and segid DNA2)  3.2   0.50  0.60

  assign     (resid 2  and name H1'  and segid DNA2)
             (resid 3  and name H8   and segid DNA2)  3.7   0.70  0.70

  assign     (resid 3  and name H1'  and segid DNA2)
             (resid 3  and name H8   and segid DNA2)  3.5   0.70  0.70

  assign     (resid 4  and name H1'  and segid DNA2)
             (resid 5  and name H6   and segid DNA2)  3.7   0.70  0.70

  assign     (resid 5  and name H1'  and segid DNA2)
             (resid 5  and name H6   and segid DNA2)  3.7   0.70  0.70

  assign     (resid 5  and name H1'  and segid DNA2)
             (resid 6  and name H8   and segid DNA2)  3.3   0.70  0.70

  assign     (resid 6  and name H1'  and segid DNA2)
             (resid 6  and name H8   and segid DNA2)  3.7   0.70  0.70

  assign     (resid 6  and name H1'  and segid DNA2)
             (resid 7  and name H6   and segid DNA2)  3.8   0.70  0.70

  assign     (resid 7  and name H1'  and segid DNA2)
             (resid 7  and name H6   and segid DNA2)  3.8   0.80  0.80

  assign     (resid 7  and name H1'  and segid DNA2)
             (resid 8  and name H8   and segid DNA2)  3.7   0.80  0.80

  assign     (resid 8  and name H1'  and segid DNA2)
             (resid 8  and name H8   and segid DNA2)  3.7   0.80  0.80

  assign     (resid 8  and name H1'  and segid DNA2)
             (resid 9  and name H6   and segid DNA2)  3.7   0.80  0.80

  assign     (resid 9  and name H1'  and segid DNA2)
             (resid 9  and name H6   and segid DNA2)  3.7   0.80  0.80

  assign     (resid 9  and name H1'  and segid DNA2)
             (resid 10 and name H6   and segid DNA2)  3.3   0.60  0.60

  assign     (resid 10 and name H1'  and segid DNA2)
             (resid 10 and name H6   and segid DNA2)  3.3   0.60  0.60

  assign     (resid 10 and name H1'  and segid DNA2)
             (resid 11 and name H8   and segid DNA2)  3.7   0.80  0.80

  assign     (resid 11 and name H1'  and segid DNA2)
             (resid 11 and name H8   and segid DNA2)  3.4   0.70  0.70

  assign     (resid 11 and name H1'  and segid DNA2)
             (resid 12 and name H6   and segid DNA2)  3.3   0.70  0.70

  assign     (resid 12 and name H1'  and segid DNA2)
             (resid 12 and name H6   and segid DNA2)  3.4   0.70  0.70

!! These are base to H2' NOEs

  assign     (resid 1  and name H2'  and segid DNA2)
             (resid 1  and name H8   and segid DNA2)  1.9   0.30  0.45

  assign     (resid 2  and name H2'  and segid DNA2)
             (resid 2  and name H6   and segid DNA2)  2.0   0.30  0.45

  assign     (resid 3  and name H2'  and segid DNA2)
             (resid 3  and name H8   and segid DNA2)  2.1   0.30  0.45

  assign     (resid 5  and name H2'  and segid DNA2)
             (resid 5  and name H6   and segid DNA2)  2.0   0.30  0.45

  assign     (resid 6  and name H2'  and segid DNA2)
             (resid 6  and name H8   and segid DNA2)  2.1   0.30  0.45

  assign     (resid 7  and name H2'  and segid DNA2)
             (resid 7  and name H6   and segid DNA2)  2.0   0.30  0.45

  assign     (resid 8  and name H2'  and segid DNA2)
             (resid 8  and name H8   and segid DNA2)  2.1   0.30  0.45

  assign     (resid 9  and name H2'  and segid DNA2)
             (resid 9  and name H6   and segid DNA2)  2.1   0.30  0.45

  assign     (resid 10 and name H2'  and segid DNA2)
             (resid 10 and name H6   and segid DNA2)  2.1   0.30  0.45

  assign     (resid 11 and name H2'  and segid DNA2)
             (resid 11 and name H8   and segid DNA2)  1.8   0.30  0.45

  assign     (resid 12 and name H2'  and segid DNA2)
             (resid 12 and name H6   and segid DNA2)  2.1   0.30  0.45

!! These are base to H2''NOEs

  assign     (resid 1  and name H2'' and segid DNA2)
             (resid 2  and name H6   and segid DNA2)  2.2   0.30  0.45

  assign     (resid 2  and name H2'' and segid DNA2)
             (resid 3  and name H8   and segid DNA2)  2.2   0.30  0.45

  assign     (resid 4  and name H2'' and segid DNA2)
             (resid 5  and name H6   and segid DNA2)  2.3   0.30  0.45

  assign     (resid 5  and name H2'' and segid DNA2)
             (resid 6  and name H8   and segid DNA2)  2.1   0.30  0.45

  assign     (resid 6  and name H2'' and segid DNA2)
             (resid 7  and name H6   and segid DNA2)  2.2   0.30  0.45

  assign     (resid 7  and name H2'' and segid DNA2)
             (resid 8  and name H8   and segid DNA2)  2.1   0.30  0.45

  assign     (resid 8  and name H2'' and segid DNA2)
             (resid 9  and name H6   and segid DNA2)  2.1   0.30  0.45

  assign     (resid 9  and name H2'' and segid DNA2)
             (resid 10 and name H6   and segid DNA2)  2.1   0.30  0.45

  assign     (resid 10 and name H2'' and segid DNA2)
             (resid 11 and name H8   and segid DNA2)  2.2   0.30  0.45

  assign     (resid 11 and name H2'' and segid DNA2)
             (resid 12 and name H6   and segid DNA2)  2.1   0.30  0.45

!! These are NOEs of guanine 4

  assign     (resid 3  and name H8  and segid DNA1)
             (resid 4  and name H8   and segid DNA1)  4.0   1.00  1.00

  assign     (resid 5  and name H5#  and segid DNA1)
             (resid 4  and name H8   and segid DNA1)  4.0   1.00  1.00

  assign     (resid 4  and name H8  and segid DNA1)
             (resid 4  and name H1'  and segid DNA1)  4.0   1.00  1.00

  assign     (resid 4  and name H8  and segid DNA1)
             (resid 3  and name H1'  and segid DNA1)  4.0   1.00  1.00

  assign     (resid 4  and name H8  and segid DNA1)
             (resid 3  and name H2'  and segid DNA1)  4.0   1.00  1.00

  assign     (resid 4  and name H8  and segid DNA1)
             (resid 3  and name H2''  and segid DNA1)  4.0   1.00  1.00

  assign     (resid 4  and name H8  and segid DNA1)
             (resid 4  and name H2'  and segid DNA1)  5.5   1.00  1.00

  assign     (resid 4  and name H8  and segid DNA1)
             (resid 4  and name H2''  and segid DNA1)  5.5   1.00  1.00

  assign     (resid 4  and name H8  and segid DNA1)
             (resid 4  and name H3'  and segid DNA1)  4.0   1.00  1.00

!! These are NOEs of guanine 4

  assign     (resid 3  and name H8  and segid DNA2)
             (resid 4  and name H8   and segid DNA2)  4.0   1.00  1.00

  assign     (resid 5  and name H5#  and segid DNA2)
             (resid 4  and name H8   and segid DNA2)  4.0   1.00  1.00

  assign     (resid 4  and name H8  and segid DNA2)
             (resid 4  and name H1'  and segid DNA2)  4.0   1.00  1.00

  assign     (resid 4  and name H8  and segid DNA2)
             (resid 3  and name H1'  and segid DNA2)  4.0   1.00  1.00

  assign     (resid 4  and name H8  and segid DNA2)
             (resid 3  and name H2'  and segid DNA2)  4.0   1.00  1.00

  assign     (resid 4  and name H8  and segid DNA2)
             (resid 3  and name H2''  and segid DNA2)  4.0   1.00  1.00

  assign     (resid 4  and name H8  and segid DNA2)
             (resid 4  and name H2'  and segid DNA2)  5.5   1.00  1.00

  assign     (resid 4  and name H8  and segid DNA2)
             (resid 4  and name H2''  and segid DNA2)  5.5   1.00  1.00

  assign     (resid 4  and name H8  and segid DNA2)
             (resid 4  and name H3'  and segid DNA2)  4.0   1.00  1.00


--------------------------------------------------------------------------------
These are intermolecular NOEs
  assign     (resid 1  and name H11   and segid DRG1)
             (resid 5  and name H3    and segid DNA1)  4.0   1.00  1.00
  assign     (resid 1  and name H12   and segid DRG1)
             (resid 5  and name H3    and segid DNA1)  4.0   1.00  1.00
  assign     (resid 1  and name H11   and segid DRG1)
             (resid 7  and name H3    and segid DNA1)  4.5   1.00  1.00
  assign     (resid 1  and name H12   and segid DRG1)
             (resid 7  and name H3    and segid DNA1)  4.5   1.00  1.00
  assign     (resid 1  and name H11   and segid DRG1)
             (resid 5  and name H5#   and segid DNA1)  4.0   1.00  1.00
  assign     (resid 1  and name H12   and segid DRG1)
             (resid 5  and name H5#   and segid DNA1)  4.0   1.00  1.00
  assign     (resid 1  and name H11   and segid DRG1)
             (resid 8  and name H6#   and segid DNA2)  4.0   1.00  1.00
  assign     (resid 1  and name H12   and segid DRG1)
             (resid 8  and name H6#   and segid DNA2)  4.0   1.00  1.00

  assign     (resid 1  and name H2    and segid DRG1)
             (resid 5  and name H3    and segid DNA1)  4.0   1.00  1.00
  assign     (resid 1  and name H2    and segid DRG1)
             (resid 7  and name H3    and segid DNA2)  4.5   1.00  1.00
  assign     (resid 1  and name H2    and segid DRG1)
             (resid 5  and name H5#   and segid DNA1)  4.0   1.00  1.00
  assign     (resid 1  and name H2    and segid DRG1)
             (resid 5  and name H6    and segid DNA1)  4.0   1.00  1.00
  assign     (resid 1  and name H2    and segid DRG1)
             (resid 7  and name H5#   and segid DNA2)  5.0   1.00  1.00
  assign     (resid 1  and name H2    and segid DRG1)
             (resid 8  and name H6#   and segid DNA2)  4.0   1.00  1.00

  assign     (resid 1  and name H31   and segid DRG1)
             (resid 5  and name H5#   and segid DNA1)  4.0   1.00  1.00
  assign     (resid 1  and name H32   and segid DRG1)
             (resid 5  and name H5#   and segid DNA1)  4.0   1.00  1.00
  assign     (resid 1  and name H31   and segid DRG1)
             (resid 7  and name H5#   and segid DNA2)  4.5   1.00  1.00
  assign     (resid 1  and name H32   and segid DRG1)
             (resid 7  and name H5#   and segid DNA2)  4.5   1.00  1.00

  assign     (resid 1  and name H13#  and segid DRG1)
             (resid 5  and name H5#   and segid DNA1)  5.0   1.00  1.00

  assign     (resid 1  and name H10#  and segid DRG1)
             (resid 5  and name H5#   and segid DNA1)  5.0   1.00  1.00
  assign     (resid 1  and name HN3#  and segid DRG1)
             (resid 4  and name H8    and segid DNA1)  4.0   1.00  1.00
  assign     (resid 1  and name H10#  and segid DRG1)
             (resid 4  and name H8    and segid DNA1)  4.0   1.00  1.00
  assign     (resid 1  and name H10#  and segid DRG1)
             (resid 3  and name H8    and segid DNA1)  4.0   1.00  1.00

!! This is for the other half

  assign     (resid 1  and name H11   and segid DRG2)
             (resid 5  and name H3    and segid DNA2)  4.0   1.00  1.00
  assign     (resid 1  and name H12   and segid DRG2)
             (resid 5  and name H3    and segid DNA2)  4.0   1.00  1.00
  assign     (resid 1  and name H11   and segid DRG2)
             (resid 7  and name H3    and segid DNA2)  4.5   1.00  1.00
  assign     (resid 1  and name H12   and segid DRG2)
             (resid 7  and name H3    and segid DNA2)  4.5   1.00  1.00
  assign     (resid 1  and name H11   and segid DRG2)
             (resid 5  and name H5#   and segid DNA2)  4.0   1.00  1.00
  assign     (resid 1  and name H12   and segid DRG2)
             (resid 5  and name H5#   and segid DNA2)  4.0   1.00  1.00
  assign     (resid 1  and name H11   and segid DRG2)
             (resid 8  and name H6#   and segid DNA1)  4.0   1.00  1.00
  assign     (resid 1  and name H12   and segid DRG2)
             (resid 8  and name H6#   and segid DNA1)  4.0   1.00  1.00

  assign     (resid 1  and name H2    and segid DRG2)
             (resid 5  and name H3    and segid DNA2)  4.0   1.00  1.00
  assign     (resid 1  and name H2    and segid DRG2)
             (resid 7  and name H3    and segid DNA1)  4.5   1.00  1.00
  assign     (resid 1  and name H2    and segid DRG2)
             (resid 5  and name H5#   and segid DNA2)  4.0   1.00  1.00
  assign     (resid 1  and name H2    and segid DRG2)
             (resid 5  and name H6    and segid DNA2)  4.0   1.00  1.00
  assign     (resid 1  and name H2    and segid DRG2)
             (resid 7  and name H5#   and segid DNA1)  5.0   1.00  1.00
  assign     (resid 1  and name H2    and segid DRG2)
             (resid 8  and name H6#   and segid DNA1)  4.0   1.00  1.00

  assign     (resid 1  and name H31   and segid DRG2)
             (resid 5  and name H5#   and segid DNA2)  4.0   1.00  1.00
  assign     (resid 1  and name H32   and segid DRG2)
             (resid 5  and name H5#   and segid DNA2)  4.0   1.00  1.00
  assign     (resid 1  and name H31   and segid DRG2)
             (resid 7  and name H5#   and segid DNA1)  4.5   1.00  1.00
  assign     (resid 1  and name H32   and segid DRG2)
             (resid 7  and name H5#   and segid DNA1)  4.5   1.00  1.00

  assign     (resid 1  and name H13#  and segid DRG2)
             (resid 5  and name H5#   and segid DNA2)  5.0   1.00  1.00

  assign     (resid 1  and name H10#  and segid DRG2)
             (resid 5  and name H5#   and segid DNA2)  5.0   1.00  1.00
  assign     (resid 1  and name HN3#  and segid DRG2)
             (resid 4  and name H8    and segid DNA2)  4.0   1.00  1.00
  assign     (resid 1  and name H10#  and segid DRG2)
             (resid 4  and name H8    and segid DNA2)  4.0   1.00  1.00
  assign     (resid 1  and name H10#  and segid DRG2)
             (resid 3  and name H8    and segid DNA2)  4.0   1.00  1.00


--------------------------------------------------------------------------------
This is the H-Bonding distance restraints
  assign     (resid 1  and name H21   and segid DNA1)
             (resid 12 and name O2    and segid DNA2)  1.9   0.15  0.1
  assign     (resid 1  and name H1    and segid DNA1)
             (resid 12 and name N3    and segid DNA2)  2.0   0.15  0.1
  assign     (resid 1  and name O6    and segid DNA1)
             (resid 12 and name H42   and segid DNA2)  2.0   0.15  0.1

  assign     (resid 3  and name H21   and segid DNA1)
             (resid 10 and name O2    and segid DNA2)  1.9   0.15  0.1
  assign     (resid 3  and name H1    and segid DNA1)
             (resid 10 and name N3    and segid DNA2)  2.0   0.15  0.1
  assign     (resid 3  and name O6    and segid DNA1)
             (resid 10 and name H42   and segid DNA2)  2.0   0.15  0.1

  assign     (resid 4  and name H21   and segid DNA1)
             (resid 9  and name O2    and segid DNA2)  1.9   0.15  0.1
  assign     (resid 4  and name H1    and segid DNA1)
             (resid 9  and name N3    and segid DNA2)  2.0   0.15  0.1
  assign     (resid 4  and name O6    and segid DNA1)
             (resid 9  and name H42   and segid DNA2)  2.0   0.15  0.1

  assign     (resid 11 and name H61   and segid DNA2)
             (resid 2  and name O4    and segid DNA1)  2.0   0.15  0.3
  assign     (resid 11 and name N1    and segid DNA2)
             (resid 2  and name H3    and segid DNA1)  1.9   0.15  0.3

  assign     (resid 8  and name H61   and segid DNA2)
             (resid 5  and name O4    and segid DNA1)  2.0   0.15  0.3
  assign     (resid 8  and name N1    and segid DNA2)
             (resid 5  and name H3    and segid DNA1)  1.9   0.15  0.3

  assign     (resid 6  and name H61   and segid DNA1)
             (resid 7  and name O4    and segid DNA2)  2.0   0.15  0.2
  assign     (resid 6  and name N1    and segid DNA1)
             (resid 7  and name H3    and segid DNA2)  1.9   0.15  0.2

!! This is for the other half

  assign     (resid 1  and name H21   and segid DNA2)
             (resid 12 and name O2    and segid DNA1)  1.9   0.15  0.1
  assign     (resid 1  and name H1    and segid DNA2)
             (resid 12 and name N3    and segid DNA1)  2.0   0.15  0.1
  assign     (resid 1  and name O6    and segid DNA2)
             (resid 12 and name H42   and segid DNA1)  2.0   0.15  0.1

  assign     (resid 3  and name H21   and segid DNA2)
             (resid 10 and name O2    and segid DNA1)  1.9   0.15  0.1
  assign     (resid 3  and name H1    and segid DNA2)
             (resid 10 and name N3    and segid DNA1)  2.0   0.15  0.1
  assign     (resid 3  and name O6    and segid DNA2)
             (resid 10 and name H42   and segid DNA1)  2.0   0.15  0.1

  assign     (resid 4  and name H21   and segid DNA2)
             (resid 9  and name O2    and segid DNA1)  1.9   0.15  0.1
  assign     (resid 4  and name H1    and segid DNA2)
             (resid 9  and name N3    and segid DNA1)  2.0   0.15  0.1
  assign     (resid 4  and name O6    and segid DNA2)
             (resid 9  and name H42   and segid DNA1)  2.0   0.15  0.1

  assign     (resid 11 and name H61   and segid DNA1)
             (resid 2  and name O4    and segid DNA2)  2.0   0.15  0.3
  assign     (resid 11 and name N1    and segid DNA1)
             (resid 2  and name H3    and segid DNA2)  1.9   0.15  0.3

  assign     (resid 8  and name H61   and segid DNA1)
             (resid 5  and name O4    and segid DNA2)  2.0   0.15  0.3
  assign     (resid 8  and name N1    and segid DNA1)
             (resid 5  and name H3    and segid DNA2)  1.9   0.15  0.3

  assign     (resid 6  and name H61   and segid DNA2)
             (resid 7  and name O4    and segid DNA1)  2.0   0.15  0.2
  assign     (resid 6  and name N1    and segid DNA2)
             (resid 7  and name H3    and segid DNA1)  1.9   0.15  0.2
--------------------------------------------------------------------------------

  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          1H5*        G   1  19.228 -14.256 -15.099
    2   2H5*    G   1          2H5*        G   1  17.961 -13.312 -15.907
    3    H4*    G   1           H4*        G   1  17.017 -15.102 -14.448
    4    H3*    G   1           H3*        G   1  16.080 -12.516 -14.591
    5    H1*    G   1           H1*        G   1  16.398 -14.403 -11.318
    6    H8     G   1           H8         G   1  19.083 -11.683 -11.501
    7    H1     G   1           H1         G   1  18.755 -14.541  -5.836
    8   1H2     G   1          1H2         G   1  17.307 -16.182  -5.942
    9   2H2     G   1          2H2         G   1  16.307 -16.510  -7.384
   10    H5T    G   1           H5T        G   1  19.267 -12.572 -13.503
   11   1H2*    G   1          1H2*        G   1  17.352 -11.871 -12.724
   12   2H2*    G   1          2H2*        G   1  15.780 -12.120 -11.936
   13   1H5*    T   2          1H5*        T   2  15.082 -16.251 -11.327
   14   2H5*    T   2          2H5*        T   2  13.461 -16.241 -12.048
   15    H4*    T   2           H4*        T   2  13.380 -17.268  -9.851
   16    H3*    T   2           H3*        T   2  11.635 -15.370 -10.696
   17   1H2*    T   2          1H2*        T   2  12.873 -13.603  -9.878
   18   2H2*    T   2          2H2*        T   2  11.738 -13.726  -8.511
   19    H1*    T   2           H1*        T   2  13.245 -15.055  -7.242
   20    H3     T   2           H3         T   2  16.212 -12.310  -5.324
   21   1H5M    T   2          1H5M        T   2  15.340 -10.104  -9.986
   22   2H5M    T   2          2H5M        T   2  16.780 -11.055 -10.384
   23   3H5M    T   2          3H5M        T   2  16.865  -9.800  -9.131
   24    H6     T   2           H6         T   2  14.687 -12.686  -9.849
   25   1H5*    G   3          1H5*        G   3  11.434 -16.786  -6.183
   26   2H5*    G   3          2H5*        G   3   9.694 -16.903  -5.855
   27    H4*    G   3           H4*        G   3  10.853 -16.205  -3.815
   28    H3*    G   3           H3*        G   3   8.618 -14.996  -4.934
   29    H1*    G   3           H1*        G   3  11.367 -13.209  -3.284
   30    H8     G   3           H8         G   3  11.697 -12.077  -7.039
   31    H1     G   3           H1         G   3  15.300  -9.063  -2.730
   32   1H2     G   3          1H2         G   3  15.044 -10.145  -0.698
   33   2H2     G   3          2H2         G   3  13.898 -11.483  -0.551
   34   1H2*    G   3          1H2*        G   3   9.992 -13.351  -5.956
   35   2H2*    G   3          2H2*        G   3   9.410 -12.446  -4.513
   36   1H5*   +G   4          1H5*       +G   4  10.183 -13.586  -0.769
   37   2H5*   +G   4          2H5*       +G   4   8.800 -13.163   0.257
   38    H4*   +G   4           H4*       +G   4  10.836 -11.960   0.891
   39    H3*   +G   4           H3*       +G   4   8.684 -10.178  -0.323
   40    H1*   +G   4           H1*       +G   4  12.428  -9.670  -0.113
   41    H8    +G   4           H8        +G   4  10.150  -9.559  -3.396
   42    H1    +G   4           H1        +G   4  13.843  -4.435  -2.197
   43   1H2    +G   4          1H2        +G   4  14.755  -4.568  -0.240
   44   2H2    +G   4          2H2        +G   4  14.604  -5.948   0.822
   45   1H2*   +G   4          1H2*       +G   4  10.208  -8.351   0.680
   46   2H2*   +G   4          2H2*       +G   4  10.943  -9.519   1.534
   47   1H5*    T   5          1H5*        T   5  10.662  -9.503   3.472
   48   2H5*    T   5          2H5*        T   5   9.466  -9.239   4.737
   49    H4*    T   5           H4*        T   5  11.435  -7.786   5.016
   50    H3*    T   5           H3*        T   5   8.815  -7.101   5.309
   51   1H2*    T   5          1H2*        T   5   8.593  -6.181   3.204
   52   2H2*    T   5          2H2*        T   5   8.974  -4.694   4.124
   53    H1*    T   5           H1*        T   5  11.277  -4.734   3.474
   54    H3     T   5           H3         T   5  11.219  -3.376  -0.888
   55   1H5M    T   5          1H5M        T   5   7.424  -7.018  -0.526
   56   2H5M    T   5          2H5M        T   5   8.767  -8.104  -0.764
   57   3H5M    T   5          3H5M        T   5   8.289  -7.073  -2.083
   58    H6     T   5           H6         T   5   9.159  -7.034   1.399
   59   1H5*    A   6          1H5*        A   6  11.795  -3.594   6.404
   60   2H5*    A   6          2H5*        A   6  11.127  -2.801   7.844
   61    H4*    A   6           H4*        A   6  12.073  -1.148   6.302
   62    H3*    A   6           H3*        A   6   9.602  -0.927   7.489
   63    H1*    A   6           H1*        A   6  10.242   0.020   3.864
   64    H8     A   6           H8         A   6   7.822  -2.956   4.055
   65   1H6     A   6          1H6         A   6   7.783  -2.867  -2.064
   66   2H6     A   6          2H6         A   6   7.266  -3.777  -0.637
   67    H2     A   6           H2         A   6  10.872   0.044  -0.689
   68   1H2*    A   6          1H2*        A   6   8.492  -1.770   5.614
   69   2H2*    A   6          2H2*        A   6   8.283  -0.025   5.277
   70   1H5*    T   7          1H5*        T   7  12.021   1.679   3.815
   71   2H5*    T   7          2H5*        T   7  11.969   2.996   4.997
   72    H4*    T   7           H4*        T   7  12.305   3.897   2.766
   73    H3*    T   7           H3*        T   7  10.537   4.955   4.497
   74   1H2*    T   7          1H2*        T   7   8.852   3.471   3.847
   75   2H2*    T   7          2H2*        T   7   8.291   4.920   2.976
   76    H1*    T   7           H1*        T   7   9.375   4.220   0.931
   77    H3     T   7           H3         T   7   7.575   0.649  -1.243
   78   1H5M    T   7          1H5M        T   7   6.836  -0.406   3.880
   79   2H5M    T   7          2H5M        T   7   5.702  -1.012   2.672
   80   3H5M    T   7          3H5M        T   7   5.416   0.566   3.450
   81    H6     T   7           H6         T   7   7.803   1.869   3.393
   82   1H5*    A   8          1H5*        A   8  11.643   7.555   0.595
   83   2H5*    A   8          2H5*        A   8  11.585   9.243   1.157
   84    H4*    A   8           H4*        A   8  11.052   9.184  -1.240
   85    H3*    A   8           H3*        A   8   9.606  10.517   0.623
   86    H1*    A   8           H1*        A   8   7.736   8.241  -1.900
   87    H8     A   8           H8         A   8   8.029   6.840   1.700
   88   1H6     A   8          1H6         A   8   4.624   2.133  -0.050
   89   2H6     A   8          2H6         A   8   5.580   2.855   1.246
   90    H2     A   8           H2         A   8   5.488   4.548  -3.725
   91   1H2*    A   8          1H2*        A   8   8.254   8.712   1.078
   92   2H2*    A   8          2H2*        A   8   7.132   9.592   0.016
   93   1H5*    C   9          1H5*        C   9   8.411  11.122  -3.825
   94   2H5*    C   9          2H5*        C   9   7.520  12.467  -4.550
   95    H4*    C   9           H4*        C   9   6.175  10.524  -4.793
   96    H3*    C   9           H3*        C   9   5.255  12.766  -3.189
   97    H1*    C   9           H1*        C   9   4.362   9.192  -3.569
   98   1H4     C   9          1H4         C   9   3.828   6.089   2.313
   99   2H4     C   9          2H4         C   9   3.282   5.011   1.056
  100    H5     C   9           H5         C   9   4.640   8.366   1.813
  101    H6     C   9           H6         C   9   5.102   9.949  -0.018
  102   1H2*    C   9          1H2*        C   9   4.786  11.348  -1.472
  103   2H2*    C   9          2H2*        C   9   3.268  11.033  -2.352
  104   1H5*    C  10          1H5*        C  10   3.326   9.117  -5.769
  105   2H5*    C  10          2H5*        C  10   2.594  10.334  -6.826
  106    H4*    C  10           H4*        C  10   1.497   8.228  -7.226
  107    H3*    C  10           H3*        C  10   0.176  10.560  -6.715
  108    H1*    C  10           H1*        C  10  -0.926   7.272  -5.046
  109   1H4     C  10          1H4         C  10   0.655   8.299   1.371
  110   2H4     C  10          2H4         C  10  -0.569   7.034   1.293
  111    H5     C  10           H5         C  10   1.814   9.015  -0.635
  112    H6     C  10           H6         C  10   1.709   9.110  -3.023
  113   1H2*    C  10          1H2*        C  10  -0.030  10.112  -4.446
  114   2H2*    C  10          2H2*        C  10  -1.649   9.578  -4.954
  115   1H5*    A  11          1H5*        A  11  -2.631   6.633  -7.375
  116   2H5*    A  11          2H5*        A  11  -3.662   7.278  -8.664
  117    H4*    A  11           H4*        A  11  -4.836   5.543  -7.406
  118    H3*    A  11           H3*        A  11  -6.015   7.899  -8.055
  119    H1*    A  11           H1*        A  11  -6.421   6.472  -4.598
  120    H8     A  11           H8         A  11  -3.957   9.444  -4.317
  121   1H6     A  11          1H6         A  11  -3.835   8.174   1.719
  122   2H6     A  11          2H6         A  11  -3.327   9.292   0.462
  123    H2     A  11           H2         A  11  -6.337   5.056  -0.340
  124   1H2*    A  11          1H2*        A  11  -5.239   8.894  -6.012
  125   2H2*    A  11          2H2*        A  11  -6.957   8.613  -5.620
  126   1H5*    C  12          1H5*        C  12  -7.697   4.533  -4.701
  127   2H5*    C  12          2H5*        C  12  -9.266   4.364  -5.502
  128    H4*    C  12           H4*        C  12  -9.409   3.685  -3.174
  129    H3*    C  12           H3*        C  12 -11.363   5.206  -4.264
  130    H1*    C  12           H1*        C  12  -9.988   6.083  -0.975
  131   1H4     C  12          1H4         C  12  -6.066  11.397  -0.523
  132   2H4     C  12          2H4         C  12  -6.369  10.692   1.071
  133    H5     C  12           H5         C  12  -6.819  10.217  -2.574
  134    H6     C  12           H6         C  12  -8.144   8.339  -3.381
  135    H3T    C  12           H3T        C  12 -10.904   4.602  -1.519
  136   1H2*    C  12          1H2*        C  12 -10.041   7.233  -3.779
  137   2H2*    C  12          2H2*        C  12 -11.346   7.289  -2.550
  138   1H5*    G   1          1H5*        G   1  -7.646   8.597  11.527
  139   2H5*    G   1          2H5*        G   1  -6.512   7.497  12.335
  140    H4*    G   1           H4*        G   1  -8.127   6.280  10.872
  141    H3*    G   1           H3*        G   1  -5.424   5.767  11.018
  142    H1*    G   1           H1*        G   1  -7.335   5.783   7.743
  143    H8     G   1           H8         G   1  -5.078   8.868   7.931
  144    H1     G   1           H1         G   1  -7.841   8.094   2.263
  145   1H2     G   1          1H2         G   1  -9.230   6.402   2.366
  146   2H2     G   1          2H2         G   1  -9.396   5.362   3.806
  147    H5T    G   1           H5T        G   1  -5.987   8.906   9.932
  148   1H2*    G   1          1H2*        G   1  -4.989   7.128   9.153
  149   2H2*    G   1          2H2*        G   1  -4.983   5.536   8.363
  150   1H5*    T   2          1H5*        T   2  -8.949   4.190   7.748
  151   2H5*    T   2          2H5*        T   2  -8.682   2.590   8.468
  152    H4*    T   2           H4*        T   2  -9.680   2.349   6.269
  153    H3*    T   2           H3*        T   2  -7.529   0.928   7.115
  154   1H2*    T   2          1H2*        T   2  -5.981   2.432   6.301
  155   2H2*    T   2          2H2*        T   2  -5.920   1.294   4.932
  156    H1*    T   2           H1*        T   2  -7.471   2.571   3.663
  157    H3     T   2           H3         T   2  -5.232   5.939   1.752
  158   1H5M    T   2          1H5M        T   2  -2.920   5.427   6.416
  159   2H5M    T   2          2H5M        T   2  -4.089   6.696   6.813
  160   3H5M    T   2          3H5M        T   2  -2.863   6.980   5.562
  161    H6     T   2           H6         T   2  -5.366   4.370   6.274
  162   1H5*    G   3          1H5*        G   3  -8.890   0.509   2.601
  163   2H5*    G   3          2H5*        G   3  -8.727  -1.228   2.271
  164    H4*    G   3           H4*        G   3  -8.221   0.029   0.233
  165    H3*    G   3           H3*        G   3  -6.672  -1.985   1.351
  166    H1*    G   3           H1*        G   3  -5.344   1.016  -0.293
  167    H8     G   3           H8         G   3  -4.284   1.518   3.463
  168    H1     G   3           H1         G   3  -1.879   5.560  -0.839
  169   1H2     G   3          1H2         G   3  -2.903   5.136  -2.872
  170   2H2     G   3          2H2         G   3  -4.042   3.792  -3.023
  171   1H2*    G   3          1H2*        G   3  -5.269  -0.367   2.377
  172   2H2*    G   3          2H2*        G   3  -4.281  -0.796   0.934
  173   1H5*   +G   4          1H5*       +G   4  -5.526  -0.211  -2.810
  174   2H5*   +G   4          2H5*       +G   4  -4.886  -1.508  -3.836
  175    H4*   +G   4           H4*       +G   4  -4.022   0.695  -4.467
  176    H3*   +G   4           H3*       +G   4  -1.921  -1.147  -3.253
  177    H1*   +G   4           H1*       +G   4  -2.017   2.631  -3.459
  178    H8    +G   4           H8        +G   4  -1.548   0.396  -0.179
  179    H1    +G   4           H1        +G   4   2.923   4.861  -1.368
  180   1H2    +G   4          1H2        +G   4   2.648   5.741  -3.324
  181   2H2    +G   4          2H2        +G   4   1.312   5.373  -4.388
  182   1H2*   +G   4          1H2*       +G   4  -0.360   0.650  -4.252
  183   2H2*   +G   4          2H2*       +G   4  -1.629   1.190  -5.108
  184   1H5*    T   5          1H5*        T   5  -1.566   0.917  -7.046
  185   2H5*    T   5          2H5*        T   5  -1.113  -0.220  -8.312
  186    H4*    T   5           H4*        T   5   0.007   1.956  -8.587
  187    H3*    T   5           H3*        T   5   1.101  -0.521  -8.882
  188   1H2*    T   5          1H2*        T   5   2.042  -0.596  -6.775
  189   2H2*    T   5          2H2*        T   5   3.451   0.019  -7.694
  190    H1*    T   5           H1*        T   5   3.043   2.285  -7.041
  191    H3     T   5           H3         T   5   4.388   2.441  -2.678
  192   1H5M    T   5          1H5M        T   5   1.399  -1.887  -3.047
  193   2H5M    T   5          2H5M        T   5   0.112  -0.735  -2.810
  194   3H5M    T   5          3H5M        T   5   1.205  -1.043  -1.489
  195    H6     T   5           H6         T   5   1.108  -0.174  -4.972
  196   1H5*    A   6          1H5*        A   6   4.089   2.981  -9.970
  197   2H5*    A   6          2H5*        A   6   4.980   2.449 -11.409
  198    H4*    A   6           H4*        A   6   6.459   3.645  -9.864
  199    H3*    A   6           H3*        A   6   7.073   1.243 -11.053
  200    H1*    A   6           H1*        A   6   7.902   2.022  -7.426
  201    H8     A   6           H8         A   6   5.350  -0.842  -7.623
  202   1H6     A   6          1H6         A   6   5.438  -0.872  -1.504
  203   2H6     A   6          2H6         A   6   4.624  -1.526  -2.932
  204    H2     A   6           H2         A   6   7.820   2.643  -2.873
  205   1H2*    A   6          1H2*        A   6   6.416   0.011  -9.180
  206   2H2*    A   6          2H2*        A   6   8.171   0.082  -8.841
  207   1H5*    T   7          1H5*        T   7   9.256   4.043  -7.374
  208   2H5*    T   7          2H5*        T   7  10.565   4.203  -8.554
  209    H4*    T   7           H4*        T   7  11.399   4.676  -6.322
  210    H3*    T   7           H3*        T   7  12.727   3.101  -8.052
  211   1H2*    T   7          1H2*        T   7  11.531   1.200  -7.406
  212   2H2*    T   7          2H2*        T   7  13.050   0.876  -6.533
  213    H1*    T   7           H1*        T   7  12.183   1.833  -4.489
  214    H3     T   7           H3         T   7   8.942  -0.516  -2.321
  215   1H5M    T   7          1H5M        T   7   8.025  -1.408  -7.445
  216   2H5M    T   7          2H5M        T   7   7.606  -2.626  -6.240
  217   3H5M    T   7          3H5M        T   7   9.210  -2.656  -7.015
  218    H6     T   7           H6         T   7  10.116  -0.091  -6.955
  219   1H5*    A   8          1H5*        A   8  15.113   4.603  -4.147
  220   2H5*    A   8          2H5*        A   8  16.790   4.816  -4.706
  221    H4*    A   8           H4*        A   8  16.815   4.278  -2.310
  222    H3*    A   8           H3*        A   8  18.363   3.065  -4.173
  223    H1*    A   8           H1*        A   8  16.411   0.853  -1.653
  224    H8     A   8           H8         A   8  14.985   0.922  -5.255
  225   1H6     A   8          1H6         A   8  10.880  -3.191  -3.514
  226   2H6     A   8          2H6         A   8  11.441  -2.131  -4.808
  227    H2     A   8           H2         A   8  13.122  -1.957   0.165
  228   1H2*    A   8          1H2*        A   8  16.796   1.443  -4.631
  229   2H2*    A   8          2H2*        A   8  17.844   0.475  -3.569
  230   1H5*    C   9          1H5*        C   9  19.146   1.977   0.275
  231   2H5*    C   9          2H5*        C   9  20.615   1.312   1.002
  232    H4*    C   9           H4*        C   9  18.911  -0.326   1.240
  233    H3*    C   9           H3*        C   9  21.273  -0.875  -0.361
  234    H1*    C   9           H1*        C   9  17.886  -2.327   0.014
  235   1H4     C   9          1H4         C   9  14.915  -3.344  -5.873
  236   2H4     C   9          2H4         C   9  13.936  -4.056  -4.617
  237    H5     C   9           H5         C   9  17.032  -2.180  -5.369
  238    H6     C   9           H6         C   9  18.520  -1.473  -3.536
  239   1H2*    C   9          1H2*        C   9  19.949  -1.563  -2.080
  240   2H2*    C   9          2H2*        C   9  19.879  -3.112  -1.202
  241   1H5*    C  10          1H5*        C  10  17.975  -3.364   2.213
  242   2H5*    C  10          2H5*        C  10  19.292  -3.894   3.271
  243    H4*    C  10           H4*        C  10  17.388  -5.313   3.667
  244    H3*    C  10           H3*        C  10  19.901  -6.245   3.158
  245    H1*    C  10           H1*        C  10  16.832  -7.855   1.484
  246   1H4     C  10          1H4         C  10  17.602  -6.125  -4.931
  247   2H4     C  10          2H4         C  10  16.548  -7.535  -4.856
  248    H5     C  10           H5         C  10  18.122  -4.868  -2.923
  249    H6     C  10           H6         C  10  18.229  -4.959  -0.534
  250   1H2*    C  10          1H2*        C  10  19.494  -6.517   0.888
  251   2H2*    C  10          2H2*        C  10  19.225  -8.201   1.394
  252   1H5*    A  11          1H5*        A  11  16.471  -9.642   3.810
  253   2H5*    A  11          2H5*        A  11  17.271 -10.559   5.100
  254    H4*    A  11           H4*        A  11  15.747 -11.993   3.838
  255    H3*    A  11           H3*        A  11  18.259 -12.782   4.490
  256    H1*    A  11           H1*        A  11  16.920 -13.407   1.031
  257    H8     A  11           H8         A  11  19.461 -10.499   0.754
  258   1H6     A  11          1H6         A  11  18.194 -10.577  -5.283
  259   2H6     A  11          2H6         A  11  19.216  -9.897  -4.023
  260    H2     A  11           H2         A  11  15.513 -13.546  -3.229
  261   1H2*    A  11          1H2*        A  11  19.121 -11.855   2.448
  262   2H2*    A  11          2H2*        A  11  19.118 -13.596   2.055
  263   1H5*    C  12          1H5*        C  12  15.209 -14.977   1.131
  264   2H5*    C  12          2H5*        C  12  15.292 -16.553   1.929
  265    H4*    C  12           H4*        C  12  14.646 -16.800  -0.399
  266    H3*    C  12           H3*        C  12  16.459 -18.487   0.691
  267    H1*    C  12           H1*        C  12  17.109 -16.987  -2.595
  268   1H4     C  12          1H4         C  12  21.730 -12.267  -3.038
  269   2H4     C  12          2H4         C  12  21.084 -12.677  -4.633
  270    H5     C  12           H5         C  12  20.683 -13.201  -0.989
  271    H6     C  12           H6         C  12  19.039 -14.809  -0.186
  272    H3T    C  12           H3T        C  12  15.792 -18.127  -2.055
  273   1H2*    C  12          1H2*        C  12  18.249 -16.858   0.209
  274   2H2*    C  12          2H2*        C  12  18.514 -18.137  -1.021
  275   1H1   DAJ  13          1H1       DAM  13   8.547  -4.608  -3.330
  276   2H1   DAJ  13          2H1       DAM  13   8.233  -4.024  -4.927
  277    H2   DAJ  13           H2       DAM  13   6.487  -4.870  -2.808
  278   1HN   DAJ  13          1HN       DAM  13   6.497  -2.646  -3.968
  279   2HN   DAJ  13          2HN       DAM  13   4.957  -3.264  -3.759
  280   3HN   DAJ  13          3HN       DAM  13   5.679  -3.285  -5.213
  281   1H3   DAJ  13          1H3       DAM  13   5.426  -5.480  -5.625
  282   2H3   DAJ  13          2H3       DAM  13   4.854  -6.184  -4.083
  283   1H13  DAJ  13          1H13      DAM  13   5.399 -11.898  -7.199
  284   2H13  DAJ  13          2H13      DAM  13   4.187 -10.944  -6.322
  285   3H13  DAJ  13          3H13      DAM  13   5.168 -12.148  -5.456
  286   4HN   DAJ  13          4HN       DAM  13   8.938 -12.171  -6.574
  287   5HN   DAJ  13          5HN       DAM  13   7.250 -12.586  -6.618
  288   1H10  DAJ  13          1H10      DAM  13  10.949  -7.837  -5.810
  289   2H10  DAJ  13          2H10      DAM  13  10.861  -6.185  -5.254
  290   1H1   DAJ  13          1H1       DAM  13   3.590  -0.389  -0.232
  291   2H1   DAJ  13          2H1       DAM  13   4.204  -0.628   1.366
  292    H2   DAJ  13           H2       DAM  13   3.664  -2.459  -0.781
  293   1HN   DAJ  13          1HN       DAM  13   5.847  -2.110   0.401
  294   2HN   DAJ  13          2HN       DAM  13   5.483  -3.726   0.169
  295   3HN   DAJ  13          3HN       DAM  13   5.335  -3.036   1.630
  296   1H3   DAJ  13          1H3       DAM  13   3.203  -3.638   2.015
  297   2H3   DAJ  13          2H3       DAM  13   2.613  -4.294   0.459
  298   1H13  DAJ  13          1H13      DAM  13  -3.143  -4.704   3.520
  299   2H13  DAJ  13          2H13      DAM  13  -2.000  -5.737   2.638
  300   3H13  DAJ  13          3H13      DAM  13  -3.337  -4.947   1.772
  301   4HN   DAJ  13          4HN       DAM  13  -3.966  -1.245   2.937
  302   5HN   DAJ  13          5HN       DAM  13  -4.110  -2.978   2.955
  303   1H10  DAJ  13          1H10      DAM  13   0.001   1.438   2.241
  304   2H10  DAJ  13          2H10      DAM  13   1.651   1.620   1.704