*HEADER    DNA                                     28-MAY-03   1PG9
*TITLE     NMR SOLUTION STRUCTURE OF AN OXALIPLATIN 1,2-D(GG)
*TITLE    2 INTRASTRAND CROSS-LINK IN A DNA DODECAMER DUPLEX
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3';
*COMPND   3 CHAIN: A;
*COMPND   4 ENGINEERED: YES;
*COMPND   5 OTHER_DETAILS: G6 AND G7 ARE CROSS-LINKED BY A CIS-PT
*COMPND   6 COMPOUND, RESIDUE 1PT;
*COMPND   7 MOL_ID: 2;
*COMPND   8 MOLECULE: 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3';
*COMPND   9 CHAIN: B;
*COMPND  10 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 MOL_ID: 2;
*SOURCE   4 SYNTHETIC: YES
*KEYWDS    DEOXYRIBONUCLEIC ACID; OXALIPLATIN; DNA; DUPLEX; DODECAMER;
*KEYWDS   2 NMR
*EXPDTA    NMR
*AUTHOR    Y.WU, P.PRADHAN, J.HAVENER, S.G.CHANEY, S.L.CAMPBEL
*REVDAT   1   06-JUL-04 1PG9    0


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assign (resid  21 and name H1') (resid  21 and name  H4') 3.64  0.50  0.50
assign (resid  21 and name H1') (resid  21 and name H2'') 2.73  0.37  0.37
assign (resid  21 and name H1') (resid  22 and name   H8) 3.46  0.52  0.52
assign (resid  21 and name H2') (resid  22 and name   H8) 2.95  0.44  0.44
assign (resid  21 and name H3') (resid  21 and name  H2') 2.72  0.37  0.37
assign (resid  21 and name H3') (resid  21 and name  H4') 2.83  0.39  0.39
assign (resid  21 and name H3') ((resid  21 and name  H5') or (resid  21 and name H5'')) 2.84  0.39  0.39
assign (resid  21 and name H3') (resid  21 and name H2'') 2.95  0.40  0.40
assign (resid  21 and name H3') ((resid  21 and name  H5') or (resid  21 and name H5'')) 2.84  0.39  0.39
assign (resid  21 and name H4') ((resid  21 and name  H5') or (resid  21 and name H5'')) 2.23  0.30  0.30
assign (resid  21 and name H4') ((resid  21 and name  H5') or (resid  21 and name H5'')) 2.55  0.35  0.35
assign (resid  22 and name  H2) (resid  23 and name  H1') 5.00  0.66  0.66
assign (resid  22 and name  H8) (resid  22 and name  H1') 3.61  0.54  0.54
assign (resid  22 and name  H8) (resid  22 and name  H2') 2.63  0.39  0.39
assign (resid  22 and name  H8) (resid  22 and name  H3') 4.02  0.58  0.58
assign (resid  22 and name  H8) (resid  22 and name H2'') 3.01  0.45  0.45
assign (resid  22 and name H1') (resid  22 and name  H2') 2.86  0.39  0.39
assign (resid  22 and name H1') (resid  22 and name  H3') 3.35  0.46  0.46
assign (resid  22 and name H1') (resid  22 and name  H4') 3.27  0.45  0.45
assign (resid  22 and name H1') (resid  22 and name H2'') 2.46  0.34  0.34
assign (resid  22 and name H1') (resid  23 and name   H8) 4.36  0.65  0.65
assign (resid  22 and name H2') (resid  23 and name   H8) 3.05  0.46  0.46
assign (resid  22 and name H3') (resid  22 and name  H2') 2.71  0.37  0.37
assign (resid  22 and name H3') (resid  22 and name  H4') 2.72  0.37  0.37
assign (resid  22 and name H3') ((resid  22 and name  H5') or (resid  22 and name H5'')) 2.98  0.41  0.41
assign (resid  22 and name H3') (resid  22 and name H2'') 2.73  0.37  0.37
assign (resid  22 and name H3') ((resid  22 and name  H5') or (resid  22 and name H5'')) 3.31  0.45  0.45
assign (resid  22 and name H4') ((resid  22 and name  H5') or (resid  22 and name H5'')) 2.34  0.32  0.32
assign (resid  22 and name H4') ((resid  22 and name  H5') or (resid  22 and name H5'')) 2.29  0.31  0.31
assign (resid  22 and name H61) (resid  23 and name   H1) 3.85  0.59  0.59
assign (resid  22 and name H62) (resid  23 and name   H1) 3.03  0.58  0.58
assign (resid  22 and name H2'') (resid  23 and name   H8) 3.61  0.54  0.54
assign (resid  23 and name  H8) (resid  23 and name  H1') 4.19  0.63  0.63
assign (resid  23 and name  H8) (resid  23 and name  H2') 2.49  0.37  0.37
assign (resid  23 and name  H8) (resid  23 and name  H3') 3.59  0.54  0.54
assign (resid  23 and name  H8) (resid  23 and name  H4') 5.05  0.76  0.76
assign (resid  23 and name  H8) (resid  23 and name H2'') 2.92  0.44  0.44
assign (resid  23 and name H1') (resid  23 and name  H2') 2.83  0.39  0.39
assign (resid  23 and name H1') (resid  23 and name  H3') 3.54  0.48  0.48
assign (resid  23 and name H1') (resid  23 and name  H4') 3.05  0.42  0.42
assign (resid  23 and name H1') ((resid  23 and name H5') or (resid  23 and name H5'')) 3.56  0.50  0.50
assign (resid  23 and name H1') (resid  23 and name H2'') 2.44  0.33  0.33
assign (resid  23 and name H1') (resid  24 and name   H8) 3.79  0.57  0.57
assign (resid  23 and name H2') (resid  24 and name   H8) 3.35  0.50  0.50
assign (resid  23 and name H3') (resid  23 and name  H2') 2.48  0.34  0.34
assign (resid  23 and name H3') (resid  23 and name  H4') 2.65  0.36  0.36
assign (resid  23 and name H3') ((resid  23 and name H5') or (resid  23 and name H5'')) 2.76  0.37  0.37
assign (resid  23 and name H3') (resid  23 and name H2'') 2.45  0.33  0.33
assign (resid  23 and name H3') (resid  24 and name   H8) 4.93  0.74  0.74
assign (resid  23 and name H4') ((resid  23 and name H5') or (resid  23 and name H5'')) 2.34  0.30  0.30
assign (resid  23 and name H2'') (resid  24 and name   H8) 3.19  0.48  0.48
assign (resid  24 and name  H8) (resid  24 and name  H1') 3.58  0.54  0.54
assign (resid  24 and name  H8) (resid  24 and name  H2') 2.88  0.43  0.43
assign (resid  24 and name  H8) (resid  24 and name  H3') 3.89  0.58  0.58
assign (resid  24 and name  H8) (resid  24 and name  H4') 4.36  0.65  0.65
assign (resid  24 and name  H8) (resid  24 and name H2'') 3.38  0.51  0.51
assign (resid  24 and name H1') (resid  24 and name  H2') 2.66  0.36  0.36
assign (resid  24 and name H1') (resid  24 and name  H4') 3.03  0.41  0.41
assign (resid  24 and name H1') (resid  24 and name H2'') 2.41  0.33  0.33
assign (resid  24 and name H3') (resid  24 and name  H2') 2.65  0.36  0.36
assign (resid  24 and name H3') (resid  24 and name  H2') 2.82  0.38  0.38
assign (resid  24 and name H3') (resid  24 and name  H4') 2.70  0.37  0.37
!Borad range torsion abgle restraints, encompassing both A and B DNA conformations,
! were employed for the sugar-phosphate torsion angles.
!
!Alpha dihedral
!

assign ( resid 1    and name O3' )
       ( resid 2    and name P   )
       ( resid 2    and name O5' )
       ( resid 2    and name C5' )   1  -70.0  50.0   2

assign ( resid 2    and name O3' )
       ( resid 3    and name P   )
       ( resid 3    and name O5' )
       ( resid 3    and name C5' )   1  -70.0  50.0   2

assign ( resid 3    and name O3' )
       ( resid 4    and name P   )
       ( resid 4    and name O5' )
       ( resid 4    and name C5' )   1  -70.0  50.0   2

assign ( resid 4    and name O3' )
       ( resid 5    and name P   )
       ( resid 5    and name O5' )
       ( resid 5    and name C5' )   1  -70.0  50.0   2

assign ( resid 5    and name O3' )
       ( resid 6    and name P   )
       ( resid 6    and name O5' )
       ( resid 6    and name C5' )   1  -70.0  50.0   2

assign ( resid 6    and name O3' )
       ( resid 7    and name P   )
       ( resid 7    and name O5' )
       ( resid 7    and name C5' )   1  -70.0  50.0   2

assign ( resid 7    and name O3' )
       ( resid 8    and name P   )
       ( resid 8    and name O5' )
       ( resid 8    and name C5' )   1  -70.0  50.0   2

assign ( resid 8    and name O3' )
       ( resid 9    and name P   )
       ( resid 9    and name O5' )
       ( resid 9    and name C5' )   1  -70.0  50.0   2

assign ( resid 9    and name O3' )
       ( resid 10   and name P   )
       ( resid 10   and name O5' )
       ( resid 10   and name C5' )   1  -70.0  50.0   2

assign ( resid 10   and name O3' )
       ( resid 11   and name P   )
       ( resid 11   and name O5' )
       ( resid 11   and name C5' )   1  -70.0  50.0   2

assign ( resid 11   and name O3' )
       ( resid 12   and name P   )
       ( resid 12   and name O5' )
       ( resid 12   and name C5' )   1  -70.0  50.0   2

assign ( resid 13   and name O3' )
       ( resid 14   and name P   )
       ( resid 14   and name O5' )
       ( resid 14   and name C5' )   1  -70.0  50.0   2

assign ( resid 14   and name O3' )
       ( resid 15   and name P   )
       ( resid 15   and name O5' )
       ( resid 15   and name C5' )   1  -70.0  50.0   2

assign ( resid 15   and name O3' )
       ( resid 16   and name P   )
       ( resid 16   and name O5' )
       ( resid 16   and name C5' )   1  -70.0  50.0   2

assign ( resid 16   and name O3' )
       ( resid 17   and name P   )
       ( resid 17   and name O5' )
       ( resid 17   and name C5' )   1  -70.0  50.0   2

assign ( resid 17   and name O3' )
       ( resid 18   and name P   )
       ( resid 18   and name O5' )
       ( resid 18   and name C5' )   1  -70.0  50.0   2

assign ( resid 18   and name O3' )
       ( resid 19   and name P   )
       ( resid 19   and name O5' )
       ( resid 19   and name C5' )   1  -70.0  50.0   2

assign ( resid 19   and name O3' )
       ( resid 20   and name P   )
       ( resid 20   and name O5' )
       ( resid 20   and name C5' )   1  -70.0  50.0   2

assign ( resid 20   and name O3' )
       ( resid 21   and name P   )
       ( resid 21   and name O5' )
       ( resid 21   and name C5' )   1  -70.0  50.0   2

assign ( resid 21   and name O3' )
       ( resid 22   and name P   )
       ( resid 22   and name O5' )
       ( resid 22   and name C5' )   1  -70.0  50.0   2

assign ( resid 22   and name O3' )
       ( resid 23   and name P   )
       ( resid 23   and name O5' )
       ( resid 23   and name C5' )   1  -70.0  50.0   2

assign ( resid 23   and name O3' )
       ( resid 24   and name P   )
       ( resid 24   and name O5' )
       ( resid 24   and name C5' )   1  -70.0  50.0   2


!
!Beta dihedral
!

assign ( resid 2    and name P   )
       ( resid 2    and name O5' )
       ( resid 2    and name C5' )
       ( resid 2    and name C4' )   1  180.0  50.0   2

assign ( resid 3    and name P   )
       ( resid 3    and name O5' )
       ( resid 3    and name C5' )
       ( resid 3    and name C4' )   1  180.0  50.0   2

assign ( resid 4    and name P   )
       ( resid 4    and name O5' )
       ( resid 4    and name C5' )
       ( resid 4    and name C4' )   1  180.0  50.0   2

assign ( resid 5    and name P   )
       ( resid 5    and name O5' )
       ( resid 5    and name C5' )
       ( resid 5    and name C4' )   1  180.0  50.0   2

assign ( resid 6    and name P   )
       ( resid 6    and name O5' )
       ( resid 6    and name C5' )
       ( resid 6    and name C4' )   1  180.0  50.0   2

assign ( resid 7    and name P   )
       ( resid 7    and name O5' )
       ( resid 7    and name C5' )
       ( resid 7    and name C4' )   1  180.0  50.0   2

assign ( resid 8    and name P   )
       ( resid 8    and name O5' )
       ( resid 8    and name C5' )
       ( resid 8    and name C4' )   1  180.0  50.0   2

assign ( resid 9    and name P   )
       ( resid 9    and name O5' )
       ( resid 9    and name C5' )
       ( resid 9    and name C4' )   1  180.0  50.0   2

assign ( resid 10   and name P   )
       ( resid 10   and name O5' )
       ( resid 10   and name C5' )
       ( resid 10   and name C4' )   1  180.0  50.0   2

assign ( resid 11   and name P   )
       ( resid 11   and name O5' )
       ( resid 11   and name C5' )
       ( resid 11   and name C4' )   1  180.0  50.0   2

assign ( resid 12   and name P   )
       ( resid 12   and name O5' )
       ( resid 12   and name C5' )
       ( resid 12   and name C4' )   1  180.0  50.0   2

assign ( resid 14   and name P   )
       ( resid 14   and name O5' )
       ( resid 14   and name C5' )
       ( resid 14   and name C4' )   1  180.0  50.0   2

assign ( resid 15   and name P   )
       ( resid 15   and name O5' )
       ( resid 15   and name C5' )
       ( resid 15   and name C4' )   1  180.0  50.0   2

assign ( resid 16   and name P   )
       ( resid 16   and name O5' )
       ( resid 16   and name C5' )
       ( resid 16   and name C4' )   1  180.0  50.0   2

assign ( resid 17   and name P   )
       ( resid 17   and name O5' )
       ( resid 17   and name C5' )
       ( resid 17   and name C4' )   1  180.0  50.0   2

assign ( resid 18   and name P   )
       ( resid 18   and name O5' )
       ( resid 18   and name C5' )
       ( resid 18   and name C4' )   1  180.0  50.0   2

assign ( resid 19   and name P   )
       ( resid 19   and name O5' )
       ( resid 19   and name C5' )
       ( resid 19   and name C4' )   1  180.0  50.0   2

assign ( resid 20   and name P   )
       ( resid 20   and name O5' )
       ( resid 20   and name C5' )
       ( resid 20   and name C4' )   1  180.0  50.0   2

assign ( resid 21   and name P   )
       ( resid 21   and name O5' )
       ( resid 21   and name C5' )
       ( resid 21   and name C4' )   1  180.0  50.0   2

assign ( resid 22   and name P   )
       ( resid 22   and name O5' )
       ( resid 22   and name C5' )
       ( resid 22   and name C4' )   1  180.0  50.0   2

assign ( resid 23   and name P   )
       ( resid 23   and name O5' )
       ( resid 23   and name C5' )
       ( resid 23   and name C4' )   1  180.0  50.0   2

assign ( resid 24   and name P   )
       ( resid 24   and name O5' )
       ( resid 24   and name C5' )
       ( resid 24   and name C4' )   1  180.0  50.0   2

!
!Gamma dihedrals
!


assign ( resid 1    and name O5' )
       ( resid 1    and name C5' )
       ( resid 1    and name C4' )
       ( resid 1    and name C3' )   1  60.0  35.0  2

assign ( resid 2    and name O5' )
       ( resid 2    and name C5' )
       ( resid 2    and name C4' )
       ( resid 2    and name C3' )   1  60.0  35.0  2

assign ( resid 3    and name O5' )
       ( resid 3    and name C5' )
       ( resid 3    and name C4' )
       ( resid 3    and name C3' )   1  60.0  35.0  2

assign ( resid 4    and name O5' )
       ( resid 4    and name C5' )
       ( resid 4    and name C4' )
       ( resid 4    and name C3' )   1  60.0  35.0  2

assign ( resid 5    and name O5' )
       ( resid 5    and name C5' )
       ( resid 5    and name C4' )
       ( resid 5    and name C3' )   1  60.0  35.0  2

assign ( resid 6    and name O5' )
       ( resid 6    and name C5' )
       ( resid 6    and name C4' )
       ( resid 6    and name C3' )   1  60.0  35.0  2

assign ( resid 7    and name O5' )
       ( resid 7    and name C5' )
       ( resid 7    and name C4' )
       ( resid 7    and name C3' )   1  60.0  35.0  2

assign ( resid 8    and name O5' )
       ( resid 8    and name C5' )
       ( resid 8    and name C4' )
       ( resid 8    and name C3' )   1  60.0  35.0  2

assign ( resid 9    and name O5' )
       ( resid 9    and name C5' )
       ( resid 9    and name C4' )
       ( resid 9    and name C3' )   1  60.0  35.0  2

assign ( resid 10   and name O5' )
       ( resid 10   and name C5' )
       ( resid 10   and name C4' )
       ( resid 10   and name C3' )   1  60.0  35.0  2

assign ( resid 11   and name O5' )
       ( resid 11   and name C5' )
       ( resid 11   and name C4' )
       ( resid 11   and name C3' )   1  60.0  35.0  2

assign ( resid 12   and name O5' )
       ( resid 12   and name C5' )
       ( resid 12   and name C4' )
       ( resid 12   and name C3' )   1  60.0  35.0  2

assign ( resid 13   and name O5' )
       ( resid 13   and name C5' )
       ( resid 13   and name C4' )
       ( resid 13   and name C3' )   1  60.0  35.0  2

assign ( resid 14   and name O5' )
       ( resid 14   and name C5' )
       ( resid 14   and name C4' )
       ( resid 14   and name C3' )   1  60.0  35.0  2

assign ( resid 15   and name O5' )
       ( resid 15   and name C5' )
       ( resid 15   and name C4' )
       ( resid 15   and name C3' )   1  60.0  35.0  2

assign ( resid 16   and name O5' )
       ( resid 16   and name C5' )
       ( resid 16   and name C4' )
       ( resid 16   and name C3' )   1  60.0  35.0  2

assign ( resid 17   and name O5' )
       ( resid 17   and name C5' )
       ( resid 17   and name C4' )
       ( resid 17   and name C3' )   1  60.0  35.0  2

assign ( resid 18   and name O5' )
       ( resid 18   and name C5' )
       ( resid 18   and name C4' )
       ( resid 18   and name C3' )   1  60.0  35.0  2

assign ( resid 19   and name O5' )
       ( resid 19   and name C5' )
       ( resid 19   and name C4' )
       ( resid 19   and name C3' )   1  60.0  35.0  2

assign ( resid 20   and name O5' )
       ( resid 20   and name C5' )
       ( resid 20   and name C4' )
       ( resid 20   and name C3' )   1  60.0  35.0  2

assign ( resid 21   and name O5' )
       ( resid 21   and name C5' )
       ( resid 21   and name C4' )
       ( resid 21   and name C3' )   1  60.0  35.0  2

assign ( resid 22   and name O5' )
       ( resid 22   and name C5' )
       ( resid 22   and name C4' )
       ( resid 22   and name C3' )   1  60.0  35.0  2

assign ( resid 23   and name O5' )
       ( resid 23   and name C5' )
       ( resid 23   and name C4' )
       ( resid 23   and name C3' )   1  60.0  35.0  2

assign ( resid 24   and name O5' )
       ( resid 24   and name C5' )
       ( resid 24   and name C4' )
       ( resid 24   and name C3' )   1  60.0  35.0  2

!
!Delta dihedrals
!


assign ( resid 1    and name C5' )
       ( resid 1    and name C4' )
       ( resid 1    and name C3' )
       ( resid 1    and name O3' )   1  120.0  50.0   2

assign ( resid 2    and name C5' )
       ( resid 2    and name C4' )
       ( resid 2    and name C3' )
       ( resid 2    and name O3' )   1  120.0  50.0   2

assign ( resid 3    and name C5' )
       ( resid 3    and name C4' )
       ( resid 3    and name C3' )
       ( resid 3    and name O3' )   1  120.0  50.0   2

assign ( resid 4    and name C5' )
       ( resid 4    and name C4' )
       ( resid 4    and name C3' )
       ( resid 4    and name O3' )   1  120.0  50.0   2

assign ( resid 5    and name C5' )
       ( resid 5    and name C4' )
       ( resid 5    and name C3' )
       ( resid 5    and name O3' )   1  120.0  50.0   2

assign ( resid 6    and name C5' )
       ( resid 6    and name C4' )
       ( resid 6    and name C3' )
       ( resid 6    and name O3' )   1  120.0  50.0   2

assign ( resid 7    and name C5' )
       ( resid 7    and name C4' )
       ( resid 7    and name C3' )
       ( resid 7    and name O3' )   1  120.0  50.0   2

assign ( resid 8    and name C5' )
       ( resid 8    and name C4' )
       ( resid 8    and name C3' )
       ( resid 8    and name O3' )   1  120.0  50.0   2

assign ( resid 9    and name C5' )
       ( resid 9    and name C4' )
       ( resid 9    and name C3' )
       ( resid 9    and name O3' )   1  120.0  50.0   2

assign ( resid 10   and name C5' )
       ( resid 10   and name C4' )
       ( resid 10   and name C3' )
       ( resid 10   and name O3' )   1  120.0  50.0   2

assign ( resid 11   and name C5' )
       ( resid 11   and name C4' )
       ( resid 11   and name C3' )
       ( resid 11   and name O3' )   1  120.0  50.0   2

assign ( resid 12   and name C5' )
       ( resid 12   and name C4' )
       ( resid 12   and name C3' )
       ( resid 12   and name O3' )   1  120.0  50.0   2

assign ( resid 13   and name C5' )
       ( resid 13   and name C4' )
       ( resid 13   and name C3' )
       ( resid 13   and name O3' )   1  120.0  50.0   2

assign ( resid 14   and name C5' )
       ( resid 14   and name C4' )
       ( resid 14   and name C3' )
       ( resid 14   and name O3' )   1  120.0  50.0   2

assign ( resid 15   and name C5' )
       ( resid 15   and name C4' )
       ( resid 15   and name C3' )
       ( resid 15   and name O3' )   1  120.0  50.0   2

assign ( resid 16   and name C5' )
       ( resid 16   and name C4' )
       ( resid 16   and name C3' )
       ( resid 16   and name O3' )   1  120.0  50.0   2

assign ( resid 17   and name C5' )
       ( resid 17   and name C4' )
       ( resid 17   and name C3' )
       ( resid 17   and name O3' )   1  120.0  50.0   2

assign ( resid 18   and name C5' )
       ( resid 18   and name C4' )
       ( resid 18   and name C3' )
       ( resid 18   and name O3' )   1  120.0  50.0   2

assign ( resid 19   and name C5' )
       ( resid 19   and name C4' )
       ( resid 19   and name C3' )
       ( resid 19   and name O3' )   1  120.0  50.0   2

assign ( resid 20   and name C5' )
       ( resid 20   and name C4' )
       ( resid 20   and name C3' )
       ( resid 20   and name O3' )   1  120.0  50.0   2

assign ( resid 21   and name C5' )
       ( resid 21   and name C4' )
       ( resid 21   and name C3' )
       ( resid 21   and name O3' )   1  120.0  50.0   2

assign ( resid 22   and name C5' )
       ( resid 22   and name C4' )
       ( resid 22   and name C3' )
       ( resid 22   and name O3' )   1  120.0  50.0   2

assign ( resid 23   and name C5' )
       ( resid 23   and name C4' )
       ( resid 23   and name C3' )
       ( resid 23   and name O3' )   1  120.0  50.0   2

assign ( resid 24   and name C5' )
       ( resid 24   and name C4' )
       ( resid 24   and name C3' )
       ( resid 24   and name O3' )   1  120.0  50.0   2

!
!Epsilon dihedrals
!


assign ( resid 1    and name C4' )
       ( resid 1    and name C3' )
       ( resid 1    and name O3' )
       ( resid 2    and name P   )   1   180.0  50.0    2

assign ( resid 2    and name C4' )
       ( resid 2    and name C3' )
       ( resid 2    and name O3' )
       ( resid 3    and name P   )   1   180.0  50.0    2

assign ( resid 3    and name C4' )
       ( resid 3    and name C3' )
       ( resid 3    and name O3' )
       ( resid 4    and name P   )   1   180.0  50.0    2

assign ( resid 4    and name C4' )
       ( resid 4    and name C3' )
       ( resid 4    and name O3' )
       ( resid 5    and name P   )   1   180.0  50.0    2

assign ( resid 5    and name C4' )
       ( resid 5    and name C3' )
       ( resid 5    and name O3' )
       ( resid 6    and name P   )   1   180.0  50.0    2

assign ( resid 6    and name C4' )
       ( resid 6    and name C3' )
       ( resid 6    and name O3' )
       ( resid 7    and name P   )   1   180.0  50.0    2

assign ( resid 7    and name C4' )
       ( resid 7    and name C3' )
       ( resid 7    and name O3' )
       ( resid 8    and name P   )   1   180.0  50.0    2

assign ( resid 8    and name C4' )
       ( resid 8    and name C3' )
       ( resid 8    and name O3' )
       ( resid 9    and name P   )   1   180.0  50.0    2

assign ( resid 9    and name C4' )
       ( resid 9    and name C3' )
       ( resid 9    and name O3' )
       ( resid 10   and name P   )   1   180.0  50.0    2

assign ( resid 10   and name C4' )
       ( resid 10   and name C3' )
       ( resid 10   and name O3' )
       ( resid 11   and name P   )   1   180.0  50.0    2

assign ( resid 11   and name C4' )
       ( resid 11   and name C3' )
       ( resid 11   and name O3' )
       ( resid 12   and name P   )   1   180.0  50.0    2

assign ( resid 13   and name C4' )
       ( resid 13   and name C3' )
       ( resid 13   and name O3' )
       ( resid 14   and name P   )   1   180.0  50.0    2

assign ( resid 14   and name C4' )
       ( resid 14   and name C3' )
       ( resid 14   and name O3' )
       ( resid 15   and name P   )   1   180.0  50.0    2

assign ( resid 15   and name C4' )
       ( resid 15   and name C3' )
       ( resid 15   and name O3' )
       ( resid 16   and name P   )   1   180.0  50.0    2

assign ( resid 16   and name C4' )
       ( resid 16   and name C3' )
       ( resid 16   and name O3' )
       ( resid 17   and name P   )   1   180.0  50.0    2

assign ( resid 17   and name C4' )
       ( resid 17   and name C3' )
       ( resid 17   and name O3' )
       ( resid 18   and name P   )   1   180.0  50.0    2

assign ( resid 18   and name C4' )
       ( resid 18   and name C3' )
       ( resid 18   and name O3' )
       ( resid 19   and name P   )   1   180.0  50.0    2

assign ( resid 19   and name C4' )
       ( resid 19   and name C3' )
       ( resid 19   and name O3' )
       ( resid 20   and name P   )   1   180.0  50.0    2

assign ( resid 20   and name C4' )
       ( resid 20   and name C3' )
       ( resid 20   and name O3' )
       ( resid 21   and name P   )   1   180.0  50.0    2

assign ( resid 21   and name C4' )
       ( resid 21   and name C3' )
       ( resid 21   and name O3' )
       ( resid 22   and name P   )   1   180.0  50.0    2

assign ( resid 22   and name C4' )
       ( resid 22   and name C3' )
       ( resid 22   and name O3' )
       ( resid 23   and name P   )   1   180.0  50.0    2

assign ( resid 23   and name C4' )
       ( resid 23   and name C3' )
       ( resid 23   and name O3' )
       ( resid 24   and name P   )   1   180.0  50.0    2

!
!Zeta dihedral
!


assign ( resid 1    and name C3' )
       ( resid 1    and name O3' )
       ( resid 2    and name P   )
       ( resid 2    and name O5' )   1  -85.0 50.0    2

assign ( resid 2    and name C3' )
       ( resid 2    and name O3' )
       ( resid 3    and name P   )
       ( resid 3    and name O5' )   1  -85.0 50.0    2

assign ( resid 3    and name C3' )
       ( resid 3    and name O3' )
       ( resid 4    and name P   )
       ( resid 4    and name O5' )   1  -85.0 50.0    2

assign ( resid 4    and name C3' )
       ( resid 4    and name O3' )
       ( resid 5    and name P   )
       ( resid 5    and name O5' )   1  -85.0 50.0    2

assign ( resid 5    and name C3' )
       ( resid 5    and name O3' )
       ( resid 6    and name P   )
       ( resid 6    and name O5' )   1  -85.0 50.0    2

assign ( resid 6    and name C3' )
       ( resid 6    and name O3' )
       ( resid 7    and name P   )
       ( resid 7    and name O5' )   1  -85.0 50.0    2

assign ( resid 7    and name C3' )
       ( resid 7    and name O3' )
       ( resid 8    and name P   )
       ( resid 8    and name O5' )   1  -85.0 50.0    2

assign ( resid 8    and name C3' )
       ( resid 8    and name O3' )
       ( resid 9    and name P   )
       ( resid 9    and name O5' )   1  -85.0 50.0    2

assign ( resid 9    and name C3' )
       ( resid 9    and name O3' )
       ( resid 10   and name P   )
       ( resid 10   and name O5' )   1  -85.0 50.0    2

assign ( resid 10   and name C3' )
       ( resid 10   and name O3' )
       ( resid 11   and name P   )
       ( resid 11   and name O5' )   1  -85.0 50.0    2

assign ( resid 11   and name C3' )
       ( resid 11   and name O3' )
       ( resid 12   and name P   )
       ( resid 12   and name O5' )   1  -85.0 50.0    2

assign ( resid 13   and name C3' )
       ( resid 13   and name O3' )
       ( resid 14   and name P   )
       ( resid 14   and name O5' )   1  -85.0 50.0    2

assign ( resid 14   and name C3' )
       ( resid 14   and name O3' )
       ( resid 15   and name P   )
       ( resid 15   and name O5' )   1  -85.0 50.0    2

assign ( resid 15   and name C3' )
       ( resid 15   and name O3' )
       ( resid 16   and name P   )
       ( resid 16   and name O5' )   1  -85.0 50.0    2

assign ( resid 16   and name C3' )
       ( resid 16   and name O3' )
       ( resid 17   and name P   )
       ( resid 17   and name O5' )   1  -85.0 50.0    2

assign ( resid 17   and name C3' )
       ( resid 17   and name O3' )
       ( resid 18   and name P   )
       ( resid 18   and name O5' )   1  -85.0 50.0    2

assign ( resid 18   and name C3' )
       ( resid 18   and name O3' )
       ( resid 19   and name P   )
       ( resid 19   and name O5' )   1  -85.0 50.0    2

assign ( resid 19   and name C3' )
       ( resid 19   and name O3' )
       ( resid 20   and name P   )
       ( resid 20   and name O5' )   1  -85.0 50.0    2

assign ( resid 20   and name C3' )
       ( resid 20   and name O3' )
       ( resid 21   and name P   )
       ( resid 21   and name O5' )   1  -85.0 50.0    2

assign ( resid 21   and name C3' )
       ( resid 21   and name O3' )
       ( resid 22   and name P   )
       ( resid 22   and name O5' )   1  -85.0 50.0    2

assign ( resid 22   and name C3' )
       ( resid 22   and name O3' )
       ( resid 23   and name P   )
       ( resid 23   and name O5' )   1  -85.0 50.0    2

assign ( resid 23   and name C3' )
       ( resid 23   and name O3' )
       ( resid 24   and name P   )
       ( resid 24   and name O5' )   1  -85.0 50.0    2

!
!Chi dihedral
!

assign ( resid 1    and name O4' )
       ( resid 1    and name C1' )
       ( resid 1    and name N1  )
       ( resid 1    and name C2  )   1  -120.0  50.0   2

assign ( resid 2    and name O4' )
       ( resid 2    and name C1' )
       ( resid 2    and name N9  )
       ( resid 2    and name C4  )   1  -120.0  50.0   2

assign ( resid 3    and name O4' )
       ( resid 3    and name C1' )
       ( resid 3    and name N1  )
       ( resid 3    and name C2  )   1  -120.0  50.0   2

assign ( resid 4    and name O4' )
       ( resid 4    and name C1' )
       ( resid 4    and name N9  )
       ( resid 4    and name C4  )   1  -120.0  50.0   2

assign ( resid 5    and name O4' )
       ( resid 5    and name C1' )
       ( resid 5    and name N9  )
       ( resid 5    and name C4  )   1  -120.0  50.0   2

assign ( resid 6    and name O4' )
       ( resid 6    and name C1' )
       ( resid 6    and name N9  )
       ( resid 6    and name C4  )   1  -120.0  50.0   2

assign ( resid 7    and name O4' )
       ( resid 7    and name C1' )
       ( resid 7    and name N1  )
       ( resid 7    and name C2  )   1  -120.0  50.0   2

assign ( resid 8    and name O4' )
       ( resid 8    and name C1' )
       ( resid 8    and name N1  )
       ( resid 8    and name C2  )   1  -120.0  50.0   2

assign ( resid 9    and name O4' )
       ( resid 9    and name C1' )
       ( resid 9    and name N1  )
       ( resid 9    and name C2  )   1  -120.0  50.0   2

assign ( resid 10   and name O4' )
       ( resid 10   and name C1' )
       ( resid 10   and name N9  )
       ( resid 10   and name C4  )   1  -120.0  50.0   2

assign ( resid 11   and name O4' )
       ( resid 11   and name C1' )
       ( resid 11   and name N1  )
       ( resid 11   and name C2  )   1  -120.0  50.0   2

assign ( resid 12   and name O4' )
       ( resid 12   and name C1' )
       ( resid 12   and name N9  )
       ( resid 12   and name C4  )   1  -120.0  50.0   2

assign ( resid 13   and name O4' )
       ( resid 13   and name C1' )
       ( resid 13   and name N1  )
       ( resid 13   and name C2  )   1  -120.0  50.0   2

assign ( resid 14   and name O4' )
       ( resid 14   and name C1' )
       ( resid 14   and name N9  )
       ( resid 14   and name C4  )   1  -120.0  50.0   2

assign ( resid 15   and name O4' )
       ( resid 15   and name C1' )
       ( resid 15   and name N1  )
       ( resid 15   and name C2  )   1  -120.0  50.0   2

assign ( resid 16   and name O4' )
       ( resid 16   and name C1' )
       ( resid 16   and name N9  )
       ( resid 16   and name C4  )   1  -120.0  50.0   2

assign ( resid 17   and name O4' )
       ( resid 17   and name C1' )
       ( resid 17   and name N9  )
       ( resid 17   and name C4  )   1  -120.0  50.0   2

assign ( resid 18   and name O4' )
       ( resid 18   and name C1' )
       ( resid 18   and name N9  )
       ( resid 18   and name C4  )   1  -120.0  50.0   2

assign ( resid 19   and name O4' )
       ( resid 19   and name C1' )
       ( resid 19   and name N1  )
       ( resid 19   and name C2  )   1  -120.0  50.0   2

assign ( resid 20   and name O4' )
       ( resid 20   and name C1' )
       ( resid 20   and name N1  )
       ( resid 20   and name C2  )   1  -120.0  50.0   2

assign ( resid 21   and name O4' )
       ( resid 21   and name C1' )
       ( resid 21   and name N1  )
       ( resid 21   and name C2  )   1  -120.0  50.0   2

assign ( resid 22   and name O4' )
       ( resid 22   and name C1' )
       ( resid 22   and name N9  )
       ( resid 22   and name C4  )   1  -120.0  50.0   2

assign ( resid 23   and name O4' )
       ( resid 23   and name C1' )
       ( resid 23   and name N1  )
       ( resid 23   and name C2  )   1  -120.0  50.0   2

assign ( resid 24   and name O4' )
       ( resid 24   and name C1' )
       ( resid 24   and name N9  )
       ( resid 24   and name C4  )   1  -120.0  50.0   2


  Entry H atom name         Submitted Coord H atom name
    1   1H5*    C   1          1H5*        C   1 -13.215 -13.937  -6.130
    2   2H5*    C   1          2H5*        C   1 -12.984 -13.172  -7.717
    3    H4*    C   1           H4*        C   1 -13.420 -11.268  -6.600
    4    H3*    C   1           H3*        C   1 -10.536 -11.704  -6.253
    5    H1*    C   1           H1*        C   1 -13.277 -10.273  -3.721
    6   1H4     C   1          H41         C   1 -10.574 -13.801   1.203
    7   2H4     C   1          H42         C   1 -11.955 -12.957   1.863
    8    H5     C   1           H5         C   1  -9.943 -13.658  -1.136
    9    H6     C   1           H6         C   1 -10.510 -12.666  -3.298
   10    H5T    C   1           H5T        C   1 -10.890 -13.554  -5.835
   11   1H2*    C   1          1H2*        C   1 -10.378 -10.791  -4.099
   12   2H2*    C   1          2H2*        C   1 -11.389  -9.441  -4.582
   13   1H5*    C   2          1H5*        C   2 -12.939  -8.148  -6.009
   14   2H5*    C   2          2H5*        C   2 -12.455  -6.937  -7.214
   15    H4*    C   2           H4*        C   2 -13.590  -5.776  -5.544
   16    H3*    C   2           H3*        C   2 -11.006  -5.005  -6.039
   17    H1*    C   2           H1*        C   2 -12.435  -5.421  -2.375
   18   1H4     C   2          H41         C   2  -8.525 -10.353  -0.284
   19   2H4     C   2          H42         C   2  -9.423  -9.774   1.099
   20    H5     C   2           H5         C   2  -8.813  -9.428  -2.519
   21    H6     C   2           H6         C   2 -10.039  -7.798  -3.852
   22   1H2*    C   2          1H2*        C   2  -9.946  -5.764  -4.064
   23   2H2*    C   2          2H2*        C   2 -10.647  -4.301  -3.386
   24   1H5*    T   3          1H5*        T   3 -13.107  -3.519  -2.143
   25   2H5*    T   3          2H5*        T   3 -13.651  -2.067  -2.999
   26    H4*    T   3           H4*        T   3 -13.734  -1.266  -0.912
   27    H3*    T   3           H3*        T   3 -11.596  -0.179  -2.157
   28   1H2*    T   3          1H2*        T   3  -9.883  -1.555  -1.247
   29   2H2*    T   3          2H2*        T   3  -9.931  -0.318  -0.012
   30    H1*    T   3           H1*        T   3 -11.288  -1.605   1.450
   31    H3     T   3           H3         T   3  -9.079  -5.148   3.042
   32   1H5M    T   3          1H5M        T   3  -7.917  -4.659  -2.162
   33   2H5M    T   3          2H5M        T   3  -8.376  -6.325  -1.738
   34   3H5M    T   3          3H5M        T   3  -6.931  -5.592  -1.011
   35    H6     T   3           H6         T   3  -9.807  -3.429  -1.346
   36   1H5*    C   4          1H5*        C   4 -12.281  -0.418   2.862
   37   2H5*    C   4          2H5*        C   4 -12.768   1.280   2.681
   38    H4*    C   4           H4*        C   4 -12.046   1.089   4.887
   39    H3*    C   4           H3*        C   4 -10.802   2.949   3.450
   40    H1*    C   4           H1*        C   4  -8.628   0.424   5.447
   41   1H4     C   4          H41         C   4  -6.052  -3.746   1.011
   42   2H4     C   4          H42         C   4  -5.765  -4.484   2.554
   43    H5     C   4           H5         C   4  -7.306  -1.733   0.679
   44    H6     C   4           H6         C   4  -8.509   0.067   1.789
   45   1H2*    C   4          1H2*        C   4  -8.968   1.616   2.654
   46   2H2*    C   4          2H2*        C   4  -8.255   2.365   4.063
   47   1H5*    A   5          1H5*        A   5  -8.576   1.775   7.016
   48   2H5*    A   5          2H5*        A   5  -8.521   3.078   8.222
   49    H4*    A   5           H4*        A   5  -6.521   2.187   8.674
   50    H3*    A   5           H3*        A   5  -6.018   4.185   6.589
   51    H1*    A   5           H1*        A   5  -4.388   0.711   7.539
   52    H8     A   5           H8         A   5  -5.287   1.812   4.005
   53   1H6     A   5          H61         A   5  -3.518  -2.047   1.577
   54   2H6     A   5          H62         A   5  -2.749  -3.524   2.114
   55    H2     A   5           H2         A   5  -2.500  -3.346   6.571
   56   1H2*    A   5          1H2*        A   5  -4.285   2.997   5.561
   57   2H2*    A   5          2H2*        A   5  -3.501   2.828   7.118
   58   1H5*    G   6          1H5*        G   6  -3.619   2.136   9.553
   59   2H5*    G   6          2H5*        G   6  -2.675   3.226  10.590
   60    H4*    G   6           H4*        G   6  -1.530   1.147  10.404
   61    H3*    G   6           H3*        G   6  -0.273   3.572   9.701
   62    H1*    G   6           H1*        G   6   0.209   0.062   8.246
   63    H8     G   6           H8         G   6  -1.253   2.500   5.593
   64    H1     G   6           H1         G   6   1.067  -3.036   3.367
   65   1H2     G   6          H21         G   6   1.839  -3.696   6.683
   66   2H2     G   6          H22         G   6   1.897  -4.242   5.020
   67   1H2*    G   6          1H2*        G   6   0.228   3.021   7.462
   68   2H2*    G   6          2H2*        G   6   1.518   2.083   8.202
   69   1H5*    G   7          1H5*        G   7   2.708   0.177   8.739
   70   2H5*    G   7          2H5*        G   7   3.945   0.514   9.969
   71    H4*    G   7           H4*        G   7   5.361   0.383   8.269
   72    H3*    G   7           H3*        G   7   4.630   3.125   8.476
   73    H1*    G   7           H1*        G   7   5.437   0.959   5.390
   74    H8     G   7           H8         G   7   1.976   2.728   5.104
   75    H1     G   7           H1         G   7   3.655  -1.108   0.251
   76   1H2     G   7          H21         G   7   6.441  -1.812   2.201
   77   2H2     G   7          H22         G   7   5.573  -2.115   0.709
   78   1H2*    G   7          1H2*        G   7   3.847   3.411   6.285
   79   2H2*    G   7          2H2*        G   7   5.532   3.312   5.848
   80   1H5*    C   8          1H5*        C   8   9.146   1.874   8.209
   81   2H5*    C   8          2H5*        C   8  10.373   3.156   8.165
   82    H4*    C   8           H4*        C   8  10.725   1.106   6.703
   83    H3*    C   8           H3*        C   8  11.598   3.692   6.284
   84    H1*    C   8           H1*        C   8  10.000   1.420   3.559
   85   1H4     C   8          H41         C   8   4.367   4.506   1.903
   86   2H4     C   8          H42         C   8   4.760   3.395   0.614
   87    H5     C   8           H5         C   8   5.769   4.800   3.855
   88    H6     C   8           H6         C   8   7.834   4.096   4.950
   89   1H2*    C   8          1H2*        C   8  10.103   4.312   4.538
   90   2H2*    C   8          2H2*        C   8  11.279   3.447   3.570
   91   1H5*    C   9          1H5*        C   9  11.786   0.878   3.008
   92   2H5*    C   9          2H5*        C   9  13.452   0.265   3.036
   93    H4*    C   9           H4*        C   9  13.009  -0.156   0.879
   94    H3*    C   9           H3*        C   9  14.543   2.128   1.062
   95    H1*    C   9           H1*        C   9  11.548   1.691  -1.362
   96   1H4     C   9          H41         C   9   7.034   6.157   0.557
   97   2H4     C   9          H42         C   9   6.542   5.532  -0.996
   98    H5     C   9           H5         C   9   9.041   5.412   1.695
   99    H6     C   9           H6         C   9  11.002   3.977   1.533
  100   1H2*    C   9          1H2*        C   9  12.913   3.723   0.461
  101   2H2*    C   9          2H2*        C   9  13.372   3.226  -1.159
  102   1H5*    T  10          1H5*        T  10  13.107   1.135  -2.519
  103   2H5*    T  10          2H5*        T  10  14.105   0.264  -3.702
  104    H4*    T  10           H4*        T  10  12.793   1.255  -5.197
  105    H3*    T  10           H3*        T  10  14.950   3.155  -4.697
  106   1H2*    T  10          1H2*        T  10  13.588   5.063  -4.717
  107   2H2*    T  10          2H2*        T  10  13.096   4.614  -6.342
  108    H1*    T  10           H1*        T  10  11.193   3.442  -5.654
  109    H3     T  10           H3         T  10   8.337   6.589  -4.355
  110   1H5M    T  10          1H5M        T  10  12.691   7.060  -1.250
  111   2H5M    T  10          2H5M        T  10  11.181   6.970  -0.313
  112   3H5M    T  10          3H5M        T  10  11.460   8.333  -1.417
  113    H6     T  10           H6         T  10  12.525   5.101  -2.624
  114   1H5*    C  11          1H5*        C  11  11.850   3.125  -7.887
  115   2H5*    C  11          2H5*        C  11  12.800   2.631  -9.303
  116    H4*    C  11           H4*        C  11  11.012   3.725 -10.242
  117    H3*    C  11           H3*        C  11  13.426   4.956 -10.634
  118    H1*    C  11           H1*        C  11  10.177   6.934  -9.668
  119   1H4     C  11          H41         C  11  11.760   9.388  -3.716
  120   2H4     C  11          H42         C  11  10.192  10.027  -4.146
  121    H5     C  11           H5         C  11  12.988   7.846  -5.141
  122    H6     C  11           H6         C  11  12.939   6.619  -7.249
  123   1H2*    C  11          1H2*        C  11  13.172   6.847  -9.200
  124   2H2*    C  11          2H2*        C  11  12.264   7.466 -10.575
  125   1H5*    C  12          1H5*        C  12  10.515   7.015 -14.005
  126   2H5*    C  12          2H5*        C  12  11.591   7.073 -15.417
  127    H4*    C  12           H4*        C  12  10.746   9.224 -15.270
  128    H3*    C  12           H3*        C  12  13.478   9.177 -14.017
  129    H1*    C  12           H1*        C  12  10.375  11.354 -12.957
  130   1H4     C  12          H41         C  12  13.270  10.159  -7.124
  131   2H4     C  12          H42         C  12  12.053  11.390  -6.877
  132    H5     C  12           H5         C  12  13.727   9.184  -9.294
  133    H6     C  12           H6         C  12  13.094   9.181 -11.648
  134    H3T    C  12           H3T        C  12  13.287   9.096 -16.246
  135   1H2*    C  12          1H2*        C  12  13.213  11.446 -13.322
  136   2H2*    C  12          2H2*        C  12  11.986  11.770 -14.539
  137   1H5*    G  13          1H5*        G  13   7.632  20.199  -3.635
  138   2H5*    G  13          2H5*        G  13   6.122  20.088  -2.711
  139    H4*    G  13           H4*        G  13   5.718  19.293  -4.912
  140    H3*    G  13           H3*        G  13   5.667  17.202  -2.781
  141    H1*    G  13           H1*        G  13   6.801  16.837  -6.562
  142    H8     G  13           H8         G  13   8.317  15.947  -3.109
  143    H1     G  13           H1         G  13  10.408  12.540  -8.128
  144   1H2     G  13          H21         G  13   8.083  14.362  -9.920
  145   2H2     G  13          H22         G  13   9.328  13.130  -9.954
  146    H5T    G  13           H5T        G  13   7.979  17.973  -2.665
  147   1H2*    G  13          1H2*        G  13   5.563  15.450  -4.356
  148   2H2*    G  13          2H2*        G  13   4.792  16.458  -5.568
  149   1H5*    G  14          1H5*        G  14   3.017  16.994  -5.758
  150   2H5*    G  14          2H5*        G  14   1.269  16.836  -5.506
  151    H4*    G  14           H4*        G  14   1.901  15.329  -7.229
  152    H3*    G  14           H3*        G  14   0.449  14.329  -5.198
  153    H1*    G  14           H1*        G  14   3.398  12.475  -6.525
  154    H8     G  14           H8         G  14   4.425  14.081  -3.177
  155    H1     G  14           H1         G  14   8.623   9.953  -5.704
  156   1H2     G  14          H21         G  14   6.368   9.784  -8.335
  157   2H2     G  14          H22         G  14   7.886   9.229  -7.673
  158   1H2*    G  14          1H2*        G  14   2.373  13.660  -3.883
  159   2H2*    G  14          2H2*        G  14   1.826  12.171  -4.612
  160   1H5*    A  15          1H5*        A  15   2.375  11.289  -8.328
  161   2H5*    A  15          2H5*        A  15   0.849  11.571  -9.193
  162    H4*    A  15           H4*        A  15   1.463   9.726 -10.330
  163    H3*    A  15           H3*        A  15  -0.459   8.906  -8.726
  164    H1*    A  15           H1*        A  15   3.001   7.007  -8.333
  165    H8     A  15           H8         A  15   2.267   9.886  -5.885
  166   1H6     A  15          H61         A  15   6.237   9.411  -3.099
  167   2H6     A  15          H62         A  15   7.588   8.301  -3.119
  168    H2     A  15           H2         A  15   6.953   5.558  -6.599
  169   1H2*    A  15          1H2*        A  15   0.842   8.426  -6.751
  170   2H2*    A  15          2H2*        A  15   0.789   6.849  -7.506
  171   1H5*    G  16          1H5*        G  16   2.263   5.294 -10.731
  172   2H5*    G  16          2H5*        G  16   1.068   4.016 -11.031
  173    H4*    G  16           H4*        G  16   3.277   3.160 -10.397
  174    H3*    G  16           H3*        G  16   0.837   2.233  -9.320
  175    H1*    G  16           H1*        G  16   4.291   2.548  -7.722
  176    H8     G  16           H8         G  16   1.790   4.959  -5.981
  177    H1     G  16           H1         G  16   7.299   3.885  -2.904
  178   1H2     G  16          H21         G  16   8.009   1.767  -5.542
  179   2H2     G  16          H22         G  16   8.535   2.447  -4.018
  180   1H2*    G  16          1H2*        G  16   1.313   2.768  -7.040
  181   2H2*    G  16          2H2*        G  16   2.296   1.316  -7.147
  182   1H5*    G  17          1H5*        G  17   5.027   0.814  -8.026
  183   2H5*    G  17          2H5*        G  17   4.914  -0.276  -9.422
  184    H4*    G  17           H4*        G  17   6.576  -1.354  -8.419
  185    H3*    G  17           H3*        G  17   4.304  -2.719  -7.807
  186    H1*    G  17           H1*        G  17   6.820  -1.635  -4.855
  187    H8     G  17           H8         G  17   3.438   0.178  -5.386
  188    H1     G  17           H1         G  17   6.657   1.734  -0.063
  189   1H2     G  17          H21         G  17   9.089  -0.416  -1.291
  190   2H2     G  17          H22         G  17   8.653   0.717  -0.038
  191   1H2*    G  17          1H2*        G  17   3.945  -2.153  -5.541
  192   2H2*    G  17          2H2*        G  17   5.260  -3.279  -5.250
  193   1H5*    C  18          1H5*        C  18   7.756  -5.202  -5.972
  194   2H5*    C  18          2H5*        C  18   7.334  -6.919  -5.808
  195    H4*    C  18           H4*        C  18   7.921  -5.754  -3.682
  196    H3*    C  18           H3*        C  18   5.471  -7.361  -4.057
  197    H1*    C  18           H1*        C  18   6.403  -4.266  -1.797
  198   1H4     C  18          H41         C  18   0.626  -1.182  -2.806
  199   2H4     C  18          H42         C  18   1.303  -0.577  -1.311
  200    H5     C  18           H5         C  18   1.708  -2.911  -4.130
  201    H6     C  18           H6         C  18   3.633  -4.412  -4.254
  202   1H2*    C  18          1H2*        C  18   4.251  -6.267  -2.401
  203   2H2*    C  18          2H2*        C  18   5.622  -6.359  -1.304
  204   1H5*    C  19          1H5*        C  19   7.451  -6.952   0.317
  205   2H5*    C  19          2H5*        C  19   7.630  -8.688   0.650
  206    H4*    C  19           H4*        C  19   6.960  -7.649   2.661
  207    H3*    C  19           H3*        C  19   5.341  -9.663   1.565
  208    H1*    C  19           H1*        C  19   4.230  -6.482   3.506
  209   1H4     C  19          H41         C  19   0.331  -3.195  -0.733
  210   2H4     C  19          H42         C  19   0.137  -2.483   0.850
  211    H5     C  19           H5         C  19   1.812  -5.078  -1.149
  212    H6     C  19           H6         C  19   3.339  -6.674  -0.115
  213   1H2*    C  19          1H2*        C  19   3.343  -8.431   1.339
  214   2H2*    C  19          2H2*        C  19   3.274  -8.591   3.088
  215   1H5*    T  20          1H5*        T  20   4.047  -7.857   5.445
  216   2H5*    T  20          2H5*        T  20   4.390  -9.115   6.650
  217    H4*    T  20           H4*        T  20   2.554  -8.194   7.589
  218    H3*    T  20           H3*        T  20   1.902 -10.640   6.497
  219   1H2*    T  20          1H2*        T  20   0.760  -9.719   4.589
  220   2H2*    T  20          2H2*        T  20  -0.551  -9.951   5.726
  221    H1*    T  20           H1*        T  20  -0.236  -7.632   6.613
  222    H3     T  20           H3         T  20  -2.012  -4.465   3.996
  223   1H5M    T  20          1H5M        T  20   0.196  -7.830   0.570
  224   2H5M    T  20          2H5M        T  20  -1.485  -8.376   0.766
  225   3H5M    T  20          3H5M        T  20  -1.147  -6.746   0.138
  226    H6     T  20           H6         T  20   0.212  -8.582   3.069
  227   1H5*    G  21          1H5*        G  21  -0.590  -8.868  10.154
  228   2H5*    G  21          2H5*        G  21  -1.239 -10.245  11.070
  229    H4*    G  21           H4*        G  21  -2.620  -8.249  11.291
  230    H3*    G  21           H3*        G  21  -3.645 -10.789  10.772
  231    H1*    G  21           H1*        G  21  -4.921  -7.450   9.389
  232    H8     G  21           H8         G  21  -3.744  -9.794   6.531
  233    H1     G  21           H1         G  21  -6.089  -4.114   4.725
  234   1H2     G  21          H21         G  21  -6.518  -3.559   8.115
  235   2H2     G  21          H22         G  21  -6.727  -2.950   6.490
  236   1H2*    G  21          1H2*        G  21  -4.474 -10.368   8.589
  237   2H2*    G  21          2H2*        G  21  -5.808  -9.678   9.494
  238   1H5*    A  22          1H5*        A  22  -6.029  -7.317  11.513
  239   2H5*    A  22          2H5*        A  22  -6.597  -7.341  13.195
  240    H4*    A  22           H4*        A  22  -8.109  -5.886  12.440
  241    H3*    A  22           H3*        A  22  -9.357  -8.286  12.604
  242    H1*    A  22           H1*        A  22  -9.777  -6.000   9.555
  243    H8     A  22           H8         A  22  -7.643  -9.108   8.721
  244   1H6     A  22          H61         A  22  -7.312  -8.373   3.917
  245   2H6     A  22          H62         A  22  -7.879  -7.100   2.864
  246    H2     A  22           H2         A  22  -9.974  -4.106   5.454
  247   1H2*    A  22          1H2*        A  22  -9.183  -8.907  10.294
  248   2H2*    A  22          2H2*        A  22 -10.732  -8.088  10.290
  249   1H5*    G  23          1H5*        G  23 -11.798  -5.593   9.907
  250   2H5*    G  23          2H5*        G  23 -13.207  -5.192  10.910
  251    H4*    G  23           H4*        G  23 -14.317  -5.410   8.988
  252    H3*    G  23           H3*        G  23 -14.431  -7.917  10.326
  253    H1*    G  23           H1*        G  23 -14.227  -7.090   6.563
  254    H8     G  23           H8         G  23 -11.619  -9.626   7.810
  255    H1     G  23           H1         G  23 -11.144  -7.991   1.631
  256   1H2     G  23          H21         G  23 -13.642  -5.695   2.386
  257   2H2     G  23          H22         G  23 -12.584  -6.364   1.161
  258   1H2*    G  23          1H2*        G  23 -13.510  -9.233   8.613
  259   2H2*    G  23          2H2*        G  23 -15.037  -8.948   7.805
  260   1H5*    G  24          1H5*        G  24 -17.896  -6.385   7.684
  261   2H5*    G  24          2H5*        G  24 -19.507  -6.936   8.187
  262    H4*    G  24           H4*        G  24 -19.295  -6.710   5.762
  263    H3*    G  24           H3*        G  24 -20.435  -8.934   7.046
  264    H1*    G  24           H1*        G  24 -18.316  -8.845   3.832
  265    H8     G  24           H8         G  24 -16.544 -10.793   6.698
  266    H1     G  24           H1         G  24 -13.896 -11.249   0.875
  267   1H2     G  24          H21         G  24 -16.435  -9.116  -0.114
  268   2H2     G  24          H22         G  24 -15.019 -10.037  -0.574
  269    H3T    G  24           H3T        G  24 -20.542  -7.900   4.406
  270   1H2*    G  24          1H2*        G  24 -18.909 -10.579   6.274
  271   2H2*    G  24          2H2*        G  24 -19.833 -10.423   4.787
  272   1H1   1PT  77          1H1       1PT  77  -2.379   1.929   1.564
  273   2H1   1PT  77          2H1       1PT  77  -2.542   2.948   2.877
  274   1H2   1PT  77          1H2       1PT  77   0.843   4.324   1.553
  275   2H2   1PT  77          2H2       1PT  77   1.248   2.985   0.637
  276    H1   1PT  77           H1       1PT  77  -1.735   4.800   1.760
  277    H2   1PT  77           H2       1PT  77  -0.827   2.819  -0.352
  278   1H3   1PT  77          1H3       1PT  77   0.416   4.689  -1.269
  279   2H3   1PT  77          2H3       1PT  77  -0.250   5.764  -0.020
  280   1H4   1PT  77          1H4       1PT  77  -1.492   6.014  -2.100
  281   2H4   1PT  77          2H4       1PT  77  -1.813   4.268  -2.145
  282   1H5   1PT  77          1H5       1PT  77  -3.857   5.425  -1.240
  283   2H5   1PT  77          2H5       1PT  77  -2.877   6.250   0.005
  284   1H6   1PT  77          1H6       1PT  77  -3.277   3.203  -0.272
  285   2H6   1PT  77          2H6       1PT  77  -3.966   4.228   1.005