*HEADER   RIBONUCLEIC ACID                        04-MAR-98   1A60    
*TITLE    NMR STRUCTURE OF A CLASSICAL PSEUDOKNOT: INTERPLAY OF       
*TITLE   2 SINGLE- AND DOUBLE-STRANDED RNA, 24 STRUCTURES             
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: TYMV PSEUDOKNOT;                                 
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: ACCEPTOR ARM OF TYMV TRNA-LIKE STRUCTURE         
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: TURNIP YELLOW MOSAIC VIRUS            
*KEYWDS   RNA, PSEUDOKNOT, TYMV, RIBONUCLEIC ACID                     
*EXPDTA   NMR, 24 STRUCTURES                                          
*AUTHOR   M.H.KOLK,M.VAN DER GRAAF,S.S.WIJMENGA,C.W.A.PLEIJ,          
*AUTHOR  2 H.A.HEUS,C.W.HILBERS                                       
*REVDAT  1   27-MAY-98 1A60    0                                      
 
!filename:alfa.dat

set message=off echo=off end
 restraints
 dihedral

assign (resid 1 and name O3')
       (resid 2 and name P)
       (resid 2 and name O5')
       (resid 2 and name C5')
   1.000  0  120  2

assign (resid 2 and name O3')
       (resid 3 and name P)
       (resid 3 and name O5')
       (resid 3 and name C5')
   1.000  0  120  2

assign (resid 3 and name O3')
       (resid 4 and name P)
       (resid 4 and name O5')
       (resid 4 and name C5')
   1.000  0  120  2

assign (resid 5 and name O3')
       (resid 6 and name P)
       (resid 6 and name O5')
       (resid 6 and name C5')
   1.000  0  120  2

assign (resid 6 and name O3')
       (resid 7 and name P)
       (resid 7 and name O5')
       (resid 7 and name C5')
   1.000  0  120  2

assign (resid 8 and name O3')
       (resid 9 and name P)
       (resid 9 and name O5')
       (resid 9 and name C5')
   1.000  0  120  2

assign (resid 9 and name O3')
       (resid 10 and name P)
       (resid 10 and name O5')
       (resid 10 and name C5')
   1.000  0  120  2

assign (resid 10 and name O3')
       (resid 11 and name P)
       (resid 11 and name O5')
       (resid 11 and name C5')
   1.000  0  120  2

assign (resid 11 and name O3')
       (resid 12 and name P)
       (resid 12 and name O5')
       (resid 12 and name C5')
   1.000  0  120  2

assign (resid 12 and name O3')
       (resid 13 and name P)
       (resid 13 and name O5')
       (resid 13 and name C5')
   1.000  0  120  2

assign (resid 13 and name O3')
       (resid 14 and name P)
       (resid 14 and name O5')
       (resid 14 and name C5')
   1.000  0  120  2

assign (resid 14 and name O3')
       (resid 15 and name P)
       (resid 15 and name O5')
       (resid 15 and name C5')
   1.000  0  120  2

assign (resid 15 and name O3')
       (resid 16 and name P)
       (resid 16 and name O5')
       (resid 16 and name C5')
   1.000  0  120  2

assign (resid 16 and name O3')
       (resid 17 and name P)
       (resid 17 and name O5')
       (resid 17 and name C5')
   1.000  0  120  2

assign (resid 18 and name O3')
       (resid 19 and name P)
       (resid 19 and name O5')
       (resid 19 and name C5')
   1.000  0  120  2

assign (resid 19 and name O3')
       (resid 20 and name P)
       (resid 20 and name O5')
       (resid 20 and name C5')
   1.000  0  120  2

assign (resid 21 and name O3')
       (resid 22 and name P)
       (resid 22 and name O5')
       (resid 22 and name C5')
   1.000  0  120  2

assign (resid 22 and name O3')
       (resid 23 and name P)
       (resid 23 and name O5')
       (resid 23 and name C5')
   1.000  0  120  2

assign (resid 23 and name O3')
       (resid 24 and name P)
       (resid 24 and name O5')
       (resid 24 and name C5')
   1.000  0  120  2

assign (resid 24 and name O3')
       (resid 25 and name P)
       (resid 25 and name O5')
       (resid 25 and name C5')
   1.000  0  120  2

assign (resid 25 and name O3')
       (resid 26 and name P)
       (resid 26 and name O5')
       (resid 26 and name C5')
   1.000  0  120  2

assign (resid 28 and name O3')
       (resid 29 and name P)
       (resid 29 and name O5')
       (resid 29 and name C5')
   1.000  0  120  2

assign (resid 29 and name O3')
       (resid 30 and name P)
       (resid 30 and name O5')
       (resid 30 and name C5')
   1.000  0  120  2

assign (resid 30 and name O3')
       (resid 31 and name P)
       (resid 31 and name O5')
       (resid 31 and name C5')
   1.000  0  120  2

assign (resid 31 and name O3')
       (resid 32 and name P)
       (resid 32 and name O5')
       (resid 32 and name C5')
   1.000  0  120  2

assign (resid 32 and name O3')
       (resid 33 and name P)
       (resid 33 and name O5')
       (resid 33 and name C5')
   1.000  0  120  2

assign (resid 33 and name O3')
       (resid 34 and name P)
       (resid 34 and name O5')
       (resid 34 and name C5')
   1.000  0  120  2

assign (resid 34 and name O3')
       (resid 35 and name P)
       (resid 35 and name O5')
       (resid 35 and name C5')
   1.000  0  120  2

assign (resid 35 and name O3')
       (resid 36 and name P)
       (resid 36 and name O5')
       (resid 36 and name C5')
   1.000  0  120  2

assign (resid 36 and name O3')
       (resid 37 and name P)
       (resid 37 and name O5')
       (resid 37 and name C5')
   1.000  0  120  2

assign (resid 38 and name O3')
       (resid 39 and name P)
       (resid 39 and name O5')
       (resid 39 and name C5')
   1.000  0  120  2

assign (resid 39 and name O3')
       (resid 40 and name P)
       (resid 40 and name O5')
       (resid 40 and name C5')
   1.000  0  120  2

assign (resid 40 and name O3')
       (resid 41 and name P)
       (resid 41 and name O5')
       (resid 41 and name C5')
   1.000  0  120  2

assign (resid 41 and name O3')
       (resid 42 and name P)
       (resid 42 and name O5')
       (resid 42 and name C5')
   1.000  0  120  2

assign (resid 42 and name O3')
       (resid 43 and name P)
       (resid 43 and name O5')
       (resid 43 and name C5')
   1.000  0  120  2

end
set message=on echo=on end

! Dihedral Angle Restraints for the b angle in pk44
! based on spin-echo difference spectra
! filename: beta.dat

set message=off echo=off end
  restraints
       dihedral

{*! beta hoek    *}
assign (resid 2 and name P)   (resid 2 and name O5')
       (resid 2 and name C5')  (resid 2 and name C4')
       1.000    180    30    2

assign (resid 4 and name P)   (resid 4 and name O5')
       (resid 4 and name C5')  (resid 4 and name C4')
       1.000    180    30    2

assign (resid 6 and name P)   (resid 6 and name O5')
       (resid 6 and name C5')  (resid 6 and name C4')
       1.000    220    30    2


assign (resid 7 and name P)   (resid 7 and name O5')
       (resid 7 and name C5')  (resid 7 and name C4')
       1.000    180    30    2

assign (resid 8 and name P)   (resid 8 and name O5')
       (resid 8 and name C5')  (resid 8 and name C4')
       1.000    215    30    2

assign (resid 9 and name P)   (resid 9 and name O5')
       (resid 9 and name C5')  (resid 9 and name C4')
       1.000    180    30    2

assign (resid 10 and name P)   (resid 10 and name O5')
       (resid 10 and name C5')  (resid 10 and name C4')
       1.000    180    30    2

assign (resid 11 and name P)   (resid 11 and name O5')
       (resid 11 and name C5')  (resid 11 and name C4')
       1.000    180    40    2

assign (resid 12 and name P)   (resid 12 and name O5')
       (resid 12 and name C5')  (resid 12 and name C4')
       1.000    150    30    2

assign (resid 13 and name P)   (resid 13 and name O5')
       (resid 13 and name C5')  (resid 13 and name C4')
       1.000    165    30    2

assign (resid 14 and name P)   (resid 14 and name O5')
       (resid 14 and name C5')  (resid 14 and name C4')
       1.000    180    20    2

assign (resid 22 and name P)   (resid 22 and name O5')
       (resid 22 and name C5')  (resid 22 and name C4')
       1.000    230    30    2


assign (resid 23 and name P)   (resid 23 and name O5')
       (resid 23 and name C5')  (resid 23 and name C4')
       1.000    180    30    2


assign (resid 24 and name P)   (resid 24 and name O5')
       (resid 24 and name C5')  (resid 24 and name C4')
       1.000    145    30    2


assign (resid 25 and name P)   (resid 25 and name O5')
       (resid 25 and name C5')  (resid 25 and name C4')
       1.000    180    30    2


assign (resid 29 and name P)   (resid 29 and name O5')
       (resid 29 and name C5')  (resid 29 and name C4')
       1.000    150    30    2

assign (resid 33 and name P)   (resid 33 and name O5')
       (resid 33 and name C5')  (resid 33 and name C4')
       1.000    180    30    2

assign (resid 35 and name P)   (resid 35 and name O5')
       (resid 35 and name C5')  (resid 35 and name C4')
       1.000    150    30    2

assign (resid 36 and name P)   (resid 36 and name O5')
       (resid 36 and name C5')  (resid 36 and name C4')
       1.000    120    30    2

assign (resid 40 and name P)   (resid 40 and name O5')
       (resid 40 and name C5')  (resid 40 and name C4')
       1.000    180    30    2

assign (resid 41 and name P)   (resid 41 and name O5')
       (resid 41 and name C5')  (resid 41 and name C4')
       1.000    180    30    2

assign (resid 42 and name P)   (resid 42 and name O5')
       (resid 42 and name C5')  (resid 42 and name C4')
       1.000    180    30    2

assign (resid 43 and name P)   (resid 43 and name O5')
       (resid 43 and name C5')  (resid 43 and name C4')
       1.000    180    30    2

end
set message=on echo=on end

! Dihedral Angle Restraints for the CHI angles
! filename:chi.dat

set message=off echo=off end
 restraints
 dihedral

assign (resid 1 and name O4')  (resid 1 and name C1')
       (resid 1 and name N9)  (resid 1 and name C4)
   1.000    -158   60    2

assign (resid 2 and name O4')  (resid 2 and name C1')
       (resid 2 and name N9)  (resid 2 and name C4)
   1.000    -158   60    2

assign (resid 3 and name O4')  (resid 3 and name C1')
       (resid 3 and name N9)  (resid 3 and name C4)
   1.000    -158   60    2

assign (resid 4 and name O4')  (resid 4 and name C1')
       (resid 4 and name N9)  (resid 4 and name C4)
   1.000    -158   60    2

assign (resid 6 and name O4')  (resid 6 and name C1')
       (resid 6 and name N1)  (resid 6 and name C2)
   1.000    -158   60    2

assign (resid 7 and name O4')  (resid 7 and name C1')
       (resid 7 and name N1)  (resid 7 and name C2)
   1.000    -158   60    2

assign (resid 8 and name O4')  (resid 8 and name C1')
       (resid 8 and name N1)  (resid 8 and name C2)
   1.000    -158   60    2

assign (resid 9 and name O4')  (resid 9 and name C1')
       (resid 9 and name N9)  (resid 9 and name C4)
   1.000    -158   60    2

assign (resid 10 and name O4')  (resid 10 and name C1')
       (resid 10 and name N9)  (resid 10 and name C4)
   1.000    -158   60    2

assign (resid 11 and name O4')  (resid 11 and name C1')
       (resid 11 and name N1)  (resid 11 and name C2)
   1.000    -158   60    2

assign (resid 12 and name O4')  (resid 12 and name C1')
       (resid 12 and name N1)  (resid 12 and name C2)
   1.000    -158   60    2

assign (resid 13 and name O4')  (resid 13 and name C1')
       (resid 13 and name N1)  (resid 13 and name C2)
   1.000    -158   60    2

assign (resid 14 and name O4')  (resid 14 and name C1')
       (resid 14 and name N1)  (resid 14 and name C2)
   1.000    -158   60    2

assign (resid 15 and name O4')  (resid 15 and name C1')
       (resid 15 and name N1)  (resid 15 and name C2)
   1.000    -158   60    2

assign (resid 16 and name O4')  (resid 16 and name C1')
       (resid 16 and name N1)  (resid 16 and name C2)
   1.000    -158   60    2

assign (resid 17 and name O4')  (resid 17 and name C1')
       (resid 17 and name N1)  (resid 17 and name C2)
   1.000    -158   60    2

assign (resid 18 and name O4')  (resid 18 and name C1')
       (resid 18 and name N1)  (resid 18 and name C2)
   1.000    -158   60    2

assign (resid 19 and name O4')  (resid 19 and name C1')
       (resid 19 and name N1)  (resid 19 and name C2)
   1.000    -158   60    2

assign (resid 20 and name O4')  (resid 20 and name C1')
       (resid 20 and name N1)  (resid 20 and name C2)
   1.000    -158   60    2

assign (resid 21 and name O4')  (resid 21 and name C1')
       (resid 21 and name N1)  (resid 21 and name C2)
   1.000    -158   60    2

assign (resid 22 and name O4')  (resid 22 and name C1')
       (resid 22 and name N1)  (resid 22 and name C2)
   1.000    -158   60    2

assign (resid 23 and name O4')  (resid 23 and name C1')
       (resid 23 and name N1)  (resid 23 and name C2)
   1.000    -158   60    2

assign (resid 24 and name O4')  (resid 24 and name C1')
       (resid 24 and name N1)  (resid 24 and name C2)
   1.000    -158   60    2

assign (resid 25 and name O4')  (resid 25 and name C1')
       (resid 25 and name N1)  (resid 25 and name C2)
   1.000    -158   60    2

assign (resid 26 and name O4')  (resid 26 and name C1')
       (resid 26 and name N1)  (resid 26 and name C2)
   1.000    -158   60    2

assign (resid 27 and name O4')  (resid 27 and name C1')
       (resid 27 and name N1)  (resid 27 and name C2)
   1.000    -158   60    2

assign (resid 28 and name O4')  (resid 28 and name C1')
       (resid 28 and name N9)  (resid 28 and name C4)
   1.000    -158   60    2

assign (resid 29 and name O4')  (resid 29 and name C1')
       (resid 29 and name N9)  (resid 29 and name C4)
   1.000    -158   60    2

assign (resid 60 and name O4')  (resid 60 and name C1')
       (resid 60 and name N9)  (resid 60 and name C4)
   1.000    -158   60    2

assign (resid 31 and name O4')  (resid 31 and name C1')
       (resid 31 and name N9)  (resid 31 and name C4)
   1.000    -158   60    2

assign (resid 32 and name O4')  (resid 32 and name C1')
       (resid 32 and name N9)  (resid 32 and name C4)
   1.000    -158   60    2

assign (resid 33 and name O4')  (resid 33 and name C1')
       (resid 33 and name N1)  (resid 33 and name C2)
   1.000    -158   60    2

assign (resid 34 and name O4')  (resid 34 and name C1')
       (resid 34 and name N1)  (resid 34 and name C2)
   1.000    -158   60    2

assign (resid 35 and name O4')  (resid 35 and name C1')
       (resid 35 and name N9)  (resid 35 and name C4)
   1.000    -158   60    2

assign (resid 36 and name O4')  (resid 36 and name C1')
       (resid 36 and name N1)  (resid 36 and name C2)
   1.000    -158   60    2

assign (resid 37 and name O4')  (resid 37 and name C1')
       (resid 37 and name N1)  (resid 37 and name C2)
   1.000    -158   60    2

assign (resid 38 and name O4')  (resid 38 and name C1')
       (resid 38 and name N9)  (resid 38 and name C4)
   1.000    -158   60    2

assign (resid 39 and name O4')  (resid 39 and name C1')
       (resid 39 and name N9)  (resid 39 and name C4)
   1.000    -158   60    2

assign (resid 40 and name O4')  (resid 40 and name C1')
       (resid 40 and name N9)  (resid 40 and name C4)
   1.000    -158   60    2

assign (resid 41 and name O4')  (resid 41 and name C1')
       (resid 41 and name N9)  (resid 41 and name C4)
   1.000    -158   60    2

assign (resid 42 and name O4')  (resid 42 and name C1')
       (resid 42 and name N1)  (resid 42 and name C2)
   1.000    -158   60    2

assign (resid 43 and name O4')  (resid 43 and name C1')
       (resid 43 and name N1)  (resid 43 and name C2)
   1.000    -158   60    2

end
set message=on echo=on end

! Experimentally derived Dihedral 
! Angle Restraints for the e angle in pk44
! determined from spin-echo difference spectra
! filename: eps.dat

set message=off echo=off end
  restraints
       dihedral


! Epsilon
assign (resid 2 and name C4')
       (resid 2 and name C3')
       (resid 2 and name O3')
       (resid 3 and name P)
   1.000  230   20  2

assign (resid 3 and name C4')
       (resid 3 and name C3')
       (resid 3 and name O3')
       (resid 4 and name P)
   1.000  225   20  2


assign (resid 4 and name C4')
       (resid 4 and name C3')
       (resid 4 and name O3')
       (resid 5 and name P)
    1.000  215   20  2

assign (resid 5 and name C4')
       (resid 5 and name C3')
       (resid 5 and name O3')
       (resid 6 and name P)
   1.000  220   20  2

assign (resid 6 and name C4')
       (resid 6 and name C3')
       (resid 6 and name O3')
       (resid 7 and name P)
   1.000  215   20  2


assign (resid 7 and name C4')
       (resid 7 and name C3')
       (resid 7 and name O3')
       (resid 8 and name P)
   1.000  240   20  2


assign (resid 8 and name C4')
       (resid 8 and name C3')
       (resid 8 and name O3')
       (resid 9 and name P)
   1.000  215   20  2


assign (resid 9 and name C4')
       (resid 9 and name C3')
       (resid 9 and name O3')
       (resid 10 and name P)
   1.000  220   20  2

assign (resid 10 and name C4')
       (resid 10 and name C3')
       (resid 10 and name O3')
       (resid 11 and name P)
   1.000  235   20  2

assign (resid 11 and name C4')
       (resid 11 and name C3')
       (resid 11 and name O3')
       (resid 12 and name P)
   1.000  205   20  2

assign (resid 12 and name C4')
       (resid 12 and name C3')
       (resid 12 and name O3')
       (resid 13 and name P)
   1.000  235   20  2

assign (resid 13 and name C4')
       (resid 13 and name C3')
       (resid 13 and name O3')
       (resid 14 and name P)
   1.000  220   20  2


assign (resid 14 and name C4')
       (resid 14 and name C3')
       (resid 14 and name O3')
       (resid 15 and name P)
   1.000  220   20  2

assign (resid 15 and name C4')
       (resid 15 and name C3')
       (resid 15 and name O3')
       (resid 16 and name P)
   1.000  205   20  2

assign (resid 16 and name C4')
       (resid 16 and name C3')
       (resid 16 and name O3')
       (resid 17 and name P)
   1.000  205   20  2


assign (resid 22 and name C4')
       (resid 22 and name C3')
       (resid 22 and name O3')
       (resid 23 and name P)
   1.000  230   30  2


assign (resid 23 and name C4')
       (resid 23 and name C3')
       (resid 23 and name O3')
       (resid 24 and name P)
   1.000  255   20  2


assign (resid 24 and name C4')
       (resid 24 and name C3')
       (resid 24 and name O3')
       (resid 25 and name P)
   1.000  240   20  2


assign (resid 25 and name C4')
       (resid 25 and name C3')
       (resid 25 and name O3')
       (resid 26 and name P)
   1.000  230   20  2

assign (resid 28 and name C4')
       (resid 28 and name C3')
       (resid 28 and name O3')
       (resid 29 and name P)
   1.000  220   30  2


assign (resid 29 and name C4')
       (resid 29 and name C3')
       (resid 29 and name O3')
       (resid 30 and name P)
   1.000  200   20  2

assign (resid 30 and name C4')
       (resid 30 and name C3')
       (resid 30 and name O3')
       (resid 31 and name P)
   1.000  205   20  2

assign (resid 31 and name C4')
       (resid 31 and name C3')
       (resid 31 and name O3')
       (resid 32 and name P)
   1.000  205   20  2

assign (resid 32 and name C4')
       (resid 32 and name C3')
       (resid 32 and name O3')
       (resid 33 and name P)
   1.000  205   20  2

assign (resid 33 and name C4')
       (resid 33 and name C3')
       (resid 33 and name O3')
       (resid 34 and name P)
   1.000  245   20  2

assign (resid 34 and name C4')
       (resid 34 and name C3')
       (resid 34 and name O3')
       (resid 35 and name P)
   1.000  205   20  2

assign (resid 35 and name C4')
       (resid 35 and name C3')
       (resid 35 and name O3')
       (resid 36 and name P)
   1.000  235   20  2

assign (resid 36 and name C4')
       (resid 36 and name C3')
       (resid 36 and name O3')
       (resid 37 and name P)
   1.000  230   20  2

assign (resid 40 and name C4')
       (resid 40 and name C3')
       (resid 40 and name O3')
       (resid 41 and name P)
   1.000  210   20  2

assign (resid 41 and name C4')
       (resid 41 and name C3')
       (resid 41 and name O3')
       (resid 42 and name P)
   1.000  240   20  2

assign (resid 42 and name C4')
       (resid 42 and name C3')
       (resid 42 and name O3')
       (resid 43 and name P)
   1.000  225   20  2

assign (resid 43 and name C4')
       (resid 43 and name C3')
       (resid 43 and name O3')
       (resid 44 and name P)
   1.000  245   20  2

end
set message=on echo=on end


! Dihedral Angle Restraints for the g angle in the stem of


set message=off echo=off end
  restraints
       dihedral

! gamma hoek

    assign (resid 1 and name O5')  (resid 1 and name C5')
           (resid 1 and name C4')  (resid 1 and name C3')
           1.000    54     30    2

    assign (resid 2 and name O5')  (resid 2 and name C5')
           (resid 2 and name C4')  (resid 2 and name C3')
           1.000    54     30    2

    assign (resid 3 and name O5')  (resid 3 and name C5')
           (resid 3 and name C4')  (resid 3 and name C3')
           1.000    54     30    2

    assign (resid 4 and name O5')  (resid 4 and name C5')
           (resid 4 and name C4')  (resid 4 and name C3')
           1.000    54     30    2

    assign (resid 5 and name O5')  (resid 5 and name C5')
           (resid 5 and name C4')  (resid 5 and name C3')
           1.000    54     30    2

    assign (resid 6 and name O5')  (resid 6 and name C5')
           (resid 6 and name C4')  (resid 6 and name C3')
           1.000    54     30    2


    assign (resid 7 and name O5')  (resid 7 and name C5')
           (resid 7 and name C4')  (resid 7 and name C3')
           1.000    54     30    2

    assign (resid 8 and name O5')  (resid 8 and name C5')
           (resid 8 and name C4')  (resid 8 and name C3')
           1.000    54     30    2

    assign (resid 9 and name O5')  (resid 9 and name C5')
           (resid 9 and name C4')  (resid 9 and name C3')
           1.000    54     30    2

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end
set message=on echo=on end

!  filename h2o.dat
!

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assign (resid 42 and name H1')
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set message=on end
!  filename intra.dat

set message=off end

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assign (resid 1 and name H2')
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assign (resid 2 and name H2')
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assign (resid 22 and name H6)
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assign (resid 43 and name H6)
       (resid 43 and name H3')
2.1  0.4  0.4

assign (resid 43 and name H6)
       (resid 43 and name H4')
3.5  1.0  1.0

assign (resid 44 and name H2')
       (resid 44 and name H2)
5.0  1.0  1.0

assign (resid 44 and name H8)
       (resid 44 and name H2')
3.4  0.7  0.7

assign (resid 44 and name H4')
       (resid 44 and name H8)
4.3  0.9  0.9

assign (resid 44 and name H1')
       (resid 44 and name H2)
4.7  0.9  0.9

assign (resid 44 and name H1')
       (resid 44 and name H8)
3.5  0.7  0.7

assign (resid 44 and name H3')
       (resid 44 and name H8)
3.8  0.8  0.8

assign (resid 44 and name H8)
       (resid 44 and name H4')
3.5  1.0  1.0

set message=on end
set message=off echo=off end
! Planarity restraints for stem-regions of pk44.


restraints plane

!#####################  5' HAIRPIN   #################################
!GC
group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 1)
          or (not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 17))
  weight=20.0
end

group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 2)
          or (not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 16))
  weight=20.0
end

group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 3)
          or (not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 15))
  weight=20.0
end

group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 4)
          or (not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 14))
  weight=20.0
end

group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 5)
          or (not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 13))
  weight=20.0
end


!######################    CENTRAL HELIX    #####################

group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 30)
          or (not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 20))
  weight=20.0
end

group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 31)
          or (not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 19))
  weight=20.0
end

group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 32)
          or (not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 18))
  weight=20.0
end


!####################   3' HELIX      ########################


group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 25)
          or (not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 40))
  weight=20.0
end

group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 26)
          or (not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 39))
  weight=20.0
end

group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 27)
          or (not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 38))
  weight=20.0
end

group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 28)
          or (not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 37))
  weight=20.0
end

group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 29)
          or (not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 36))
  weight=20.0
end



end
set message=on echo=on end
set message=off echo=off end
! h-bonds for all stem-regions of pk44


!#####################  5' HAIRPIN   #################################

! G1-C17
assign (resid 1  and name O6)
       ((resid 17 and name H42) or (resid 17 and name H41))
1.83  0.1  0.1

assign (resid 1 and name H1)
       (resid 17 and name N3)
1.85  0.1  0.1

assign ((resid 1 and name H21) or (resid 1 and name H22))
       (resid 17 and name O2)
1.92  0.1  0.1

assign (resid 1 and name N2)
       (resid 17 and name O2)
2.88  0.2  0.2

assign (resid 1 and name C1')
       (resid 17 and name C1')
10.73  0.2  0.2


! G2-C16
assign (resid 2  and name O6)
       ((resid 16 and name H42) or (resid 16 and name H41))
1.83  0.1  0.1

assign (resid 2 and name H1)
       (resid 16 and name N3)
1.85  0.1  0.1

assign ((resid 2 and name H21) or (resid 2 and name H22))
       (resid 16 and name O2)
1.92  0.1  0.1

assign (resid 2 and name N2)
       (resid 16 and name O2)
2.88  0.2  0.2

assign (resid 2 and name C1')
       (resid 16 and name C1')
10.73  0.2  0.2

! G3-C15
assign (resid 3  and name O6)
       ((resid 15 and name H42) or (resid 15 and name H41))
1.83  0.1  0.1

assign (resid 3 and name H1)
       (resid 15 and name N3)
1.85  0.1  0.1

assign ((resid 3 and name H21) or (resid 3 and name H22))
       (resid 15 and name O2)
1.92  0.1  0.1

assign (resid 3 and name N2)
       (resid 15 and name O2)
2.88  0.2  0.2

assign (resid 3 and name C1')
       (resid 15 and name C1')
10.73  0.2  0.2

!A4-U14
assign (resid 14 and name O4)
       ((resid 4 and name H61) or (resid 4 and name H62))
1.91 0.1 0.1

assign (resid 14 and name N3)
       (resid 4 and name N1)
2.90 0.1 0.1

assign (resid 14 and name O2)
       (resid 4 and name C2)
3.75  0.2  0.2

assign (resid 14 and name C1')
       (resid 4 and name C1')
10.73  0.2  0.2

! G5-C13
assign (resid 5  and name O6)
       ((resid 13 and name H42) or (resid 13 and name H41))
1.83  0.1  0.1

assign (resid 5 and name H1)
       (resid 13 and name N3)
1.85  0.1  0.1

assign ((resid 5 and name H21) or (resid 5 and name H22))
       (resid 13 and name O2)
1.92  0.1  0.1

assign (resid 5 and name N2)
       (resid 13 and name O2)
2.88  0.2  0.2

assign (resid 5 and name C1')
       (resid 13 and name C1')
10.73  0.2  0.2


!######################    CENTRAL HELIX    #####################


! G30-C20
assign (resid 30  and name O6)
       ((resid 20 and name H42) or (resid 20 and name H41))
1.83  0.1  0.1

assign (resid 30 and name H1)
       (resid 20 and name N3)
1.85  0.1  0.1

assign ((resid 30 and name H21) or (resid 30 and name H22))
       (resid 20 and name O2)
1.92  0.1  0.1

assign (resid 30 and name N2)
       (resid 20 and name O2)
2.88  0.2  0.2

assign (resid 30 and name C1')
       (resid 20 and name C1')
10.73  0.2  0.2


! G31-C19
assign (resid 31  and name O6)
       ((resid 19 and name H42) or (resid 19 and name H41))
1.83  0.1  0.1

assign (resid 31 and name H1)
       (resid 19 and name N3)
1.85  0.1  0.1

assign ((resid 31 and name H21) or (resid 31 and name H22))
       (resid 19 and name O2)
1.92  0.1  0.1

assign (resid 31 and name N2)
       (resid 19 and name O2)
2.88  0.2  0.2

assign (resid 31 and name C1')
       (resid 19 and name C1')
10.73  0.2  0.2


! G32-C18
assign (resid 32  and name O6)
       ((resid 18 and name H42) or (resid 18 and name H41))
1.83  0.1  0.1

assign (resid 32 and name H1)
       (resid 18 and name N3)
1.85  0.1  0.1

assign ((resid 32 and name H21) or (resid 32 and name H22))
       (resid 18 and name O2)
1.92  0.1  0.1

assign (resid 32 and name N2)
       (resid 18 and name O2)
2.88  0.2  0.2

assign (resid 32 and name C1')
       (resid 18 and name C1')
10.73  0.2  0.2



!####################   3' HELIX      ########################


!A40-U25
assign (resid 25 and name O4)
       ((resid 40 and name H61) or (resid 40 and name H62))
1.91 0.1 0.1

assign (resid 25 and name N3)
       (resid 40 and name N1)
2.90 0.1 0.1

assign (resid 25 and name O2)
       (resid 40 and name C2)
3.75  0.2  0.2

assign (resid 25 and name C1')
       (resid 40 and name C1')
10.73  0.2  0.2


! C26-G39
assign (resid 39  and name O6)
       ((resid 26 and name H42) or (resid 26 and name H41))
1.83  0.1  0.1

assign (resid 39 and name H1)
       (resid 26 and name N3)
1.85  0.1  0.1

assign ((resid 39 and name H21) or (resid 39 and name H22))
       (resid 26 and name O2)
1.92  0.1  0.1

assign (resid 39 and name N2)
       (resid 26 and name O2)
2.88  0.2  0.2

assign (resid 39 and name C1')
       (resid 26 and name C1')
10.73  0.2  0.2


! C27-G38
assign (resid 38  and name O6)
       ((resid 27 and name H42) or (resid 27 and name H41))
1.83  0.1  0.1

assign (resid 38 and name H1)
       (resid 27 and name N3)
1.85  0.1  0.1

assign ((resid 38 and name H21) or (resid 38 and name H22))
       (resid 27 and name O2)
1.92  0.1  0.1

assign (resid 38 and name N2)
       (resid 27 and name O2)
2.88  0.2  0.2

assign (resid 38 and name C1')
       (resid 27 and name C1')
10.73  0.2  0.2


! G28-C37
assign (resid 28  and name O6)
       ((resid 37 and name H42) or (resid 37 and name H41))
1.83  0.1  0.1

assign (resid 28 and name H1)
       (resid 37 and name N3)
1.85  0.1  0.1

assign ((resid 28 and name H21) or (resid 28 and name H22))
       (resid 37 and name O2)
1.92  0.1  0.1

assign (resid 28 and name N2)
       (resid 37 and name O2)
2.88  0.2  0.2

assign (resid 28 and name C1')
       (resid 37 and name C1')
10.73  0.2  0.2


!A29-U36
assign (resid 36 and name O4)
       ((resid 29 and name H61) or (resid 29 and name H62))
1.91 0.1 0.1

assign (resid 36 and name N3)
       (resid 29 and name N1)
2.90 0.1 0.1

assign (resid 36 and name O2)
       (resid 29 and name C2)
3.75  0.2  0.2

assign (resid 36 and name C1')
       (resid 29 and name C1')
10.73  0.2  0.2



set message=on echo=off end
! Dihedral Angle Restraints for the sugars

set message=off end
restraints 
dihedral



assign (resid 2 and name H1')
       (resid 2 and name C1')
       (resid 2 and name C2')
       (resid 2 and name H2')
   1.000  99.2    10.0   2

assign (resid 2 and name H2')
       (resid 2 and name C2')
       (resid 2 and name C3')
       (resid 2 and name H3')
   1.000  39.4    10.0   2

assign (resid 2 and name H3')
       (resid 2 and name C3')
       (resid 2 and name C4')
       (resid 2 and name H4')
   1.000  -162.0    10.0   2

assign (resid 3 and name H1')
       (resid 3 and name C1')
       (resid 3 and name C2')
       (resid 3 and name H2')
   1.000  99.2    10.0   2

assign (resid 3 and name H2')
       (resid 3 and name C2')
       (resid 3 and name C3')
       (resid 3 and name H3')
   1.000  39.4    10.0   2

assign (resid 3 and name H3')
       (resid 3 and name C3')
       (resid 3 and name C4')
       (resid 3 and name H4')
   1.000  -162.0    10.0   2

assign (resid 4 and name H1')
       (resid 4 and name C1')
       (resid 4 and name C2')
       (resid 4 and name H2')
   1.000  99.2    10.0   2

assign (resid 4 and name H2')
       (resid 4 and name C2')
       (resid 4 and name C3')
       (resid 4 and name H3')
   1.000  39.4    10.0   2

assign (resid 4 and name H3')
       (resid 4 and name C3')
       (resid 4 and name C4')
       (resid 4 and name H4')
   1.000  -162.0    10.0   2


assign (resid 5 and name H1')
       (resid 5 and name C1')
       (resid 5 and name C2')
       (resid 5 and name H2')
   1.000  99.2    10.0   2

assign (resid 5 and name H2')
       (resid 5 and name C2')
       (resid 5 and name C3')
       (resid 5 and name H3')
   1.000  39.4    10.0    2


assign (resid 5 and name H3')
       (resid 5 and name C3')
       (resid 5 and name C4')
       (resid 5 and name H4')
   1.000  -162.0  10.0    2

assign (resid 6 and name H1')
       (resid 6 and name C1')
       (resid 6 and name C2')
       (resid 6 and name H2')
   1.000  99.2    10.0   2

assign (resid 6 and name H2')
       (resid 6 and name C2')
       (resid 6 and name C3')
       (resid 6 and name H3')
   1.000  39.4    10.0    2


assign (resid 6 and name H3')
       (resid 6 and name C3')
       (resid 6 and name C4')
       (resid 6 and name H4')
   1.000  -162.0  10.0    2



assign (resid 7 and name H1')
       (resid 7 and name C1')
       (resid 7 and name C2')
       (resid 7 and name H2')
   1.000  99.2    10.0   2

assign (resid 7 and name H2')
       (resid 7 and name C2')
       (resid 7 and name C3')
       (resid 7 and name H3')
   1.000  39.4    10.0    2


assign (resid 7 and name H3')
       (resid 7 and name C3')
       (resid 7 and name C4')
       (resid 7 and name H4')
   1.000  -162.0  10.0    2


assign (resid 9 and name H1')
       (resid 9 and name C1')
       (resid 9 and name C2')
       (resid 9 and name H2')
   1.000  99.2    10.0   2     

assign (resid 9 and name H2')
       (resid 9 and name C2')
       (resid 9 and name C3')
       (resid 9 and name H3')
   1.000  39.4    10.0    2     


assign (resid 9 and name H3')
       (resid 9 and name C3')
       (resid 9 and name C4')
       (resid 9 and name H4')
   1.000  -162.0  10.0    2      


assign (resid 10 and name H1')
       (resid 10 and name C1')
       (resid 10 and name C2')
       (resid 10 and name H2')
   1.000  99.2    10.0   2     

assign (resid 10 and name H2')
       (resid 10 and name C2')
       (resid 10 and name C3')
       (resid 10 and name H3')
   1.000  39.4    10.0    2 

assign (resid 10 and name H3')
       (resid 10 and name C3')
       (resid 10 and name C4')
       (resid 10 and name H4')
   1.000  -162.0  10.0    2      

assign (resid 11 and name H1')
       (resid 11 and name C1')
       (resid 11 and name C2')
       (resid 11 and name H2')
   1.000  99.2    10.0   2

assign (resid 11 and name H2')
       (resid 11 and name C2')
       (resid 11 and name C3')
       (resid 11 and name H3')
   1.000  39.4    10.0    2

assign (resid 11 and name H3')
       (resid 11 and name C3')
       (resid 11 and name C4')
       (resid 11 and name H4')
   1.000  -162.0  10.0    2

assign (resid 12 and name H1')
       (resid 12 and name C1')
       (resid 12 and name C2')
       (resid 12 and name H2')
   1.000  99.2    10.0   2

assign (resid 12 and name H2')
       (resid 12 and name C2')
       (resid 12 and name C3')
       (resid 12 and name H3')
   1.000  39.4    10.0    2

assign (resid 12 and name H3')
       (resid 12 and name C3')
       (resid 12 and name C4')
       (resid 12 and name H4')
   1.000  -162.0  10.0    2


assign (resid 12 and name H1')
       (resid 12 and name C1')
       (resid 12 and name C2')
       (resid 12 and name H2')
   1.000  99.2    10.0   2

assign (resid 12 and name H2')
       (resid 12 and name C2')
       (resid 12 and name C3')
       (resid 12 and name H3')
   1.000  39.4    10.0   2

assign (resid 12 and name H3')
       (resid 12 and name C3')
       (resid 12 and name C4')
       (resid 12 and name H4')
   1.000  -162.0    10.0   2


assign (resid 13 and name H1')
       (resid 13 and name C1')
       (resid 13 and name C2')
       (resid 13 and name H2')
   1.000  99.2    10.0   2

assign (resid 13 and name H2')
       (resid 13 and name C2')
       (resid 13 and name C3')
       (resid 13 and name H3')
   1.000  39.4    10.0    2

assign (resid 13 and name H3')
       (resid 13 and name C3')
       (resid 13 and name C4')
       (resid 13 and name H4')
   1.000  -162.0  10.0    2

 
assign (resid 14 and name H1')
       (resid 14 and name C1')
       (resid 14 and name C2')
       (resid 14 and name H2')
   1.000  99.2    10.0   2     

assign (resid 14 and name H2')
       (resid 14 and name C2')
       (resid 14 and name C3')
       (resid 14 and name H3')
   1.000  39.4    10.0    2     

assign (resid 14 and name H3')
       (resid 14 and name C3')
       (resid 14 and name C4')
       (resid 14 and name H4')
   1.000  -162.0  10.0    2  

assign (resid 15 and name H1')
       (resid 15 and name C1')
       (resid 15 and name C2')
       (resid 15 and name H2')
   1.000  99.2    10.0   2

assign (resid 15 and name H2')
       (resid 15 and name C2')
       (resid 15 and name C3')
       (resid 15 and name H3')
   1.000  39.4    10.0   2

assign (resid 15 and name H3')
       (resid 15 and name C3')
       (resid 15 and name C4')
       (resid 15 and name H4')
   1.000  -162.0    10.0   2

assign (resid 16 and name H1')
       (resid 16 and name C1')
       (resid 16 and name C2')
       (resid 16 and name H2')
   1.000  99.2    10.0   2

assign (resid 16 and name H2')
       (resid 16 and name C2')
       (resid 16 and name C3')
       (resid 16 and name H3')
   1.000  39.4    10.0   2

assign (resid 16 and name H3')
       (resid 16 and name C3')
       (resid 16 and name C4')
       (resid 16 and name H4')
   1.000  -162.0    10.0   2

assign (resid 17 and name H1')
       (resid 17 and name C1')
       (resid 17 and name C2')
       (resid 17 and name H2')
   1.000  99.2    10.0   2

assign (resid 17 and name H2')
       (resid 17 and name C2')
       (resid 17 and name C3')
       (resid 17 and name H3')
   1.000  39.4    10.0   2

assign (resid 17 and name H3')
       (resid 17 and name C3')
       (resid 17 and name C4')
       (resid 17 and name H4')
   1.000  -162.0    10.0   2

assign (resid 18 and name H1')
       (resid 18 and name C1')
       (resid 18 and name C2')
       (resid 18 and name H2')
   1.000  99.2    10.0   2

assign (resid 18 and name H2')
       (resid 18 and name C2')
       (resid 18 and name C3')
       (resid 18 and name H3')
   1.000  39.4    10.0   2

assign (resid 18 and name H3')
       (resid 18 and name C3')
       (resid 18 and name C4')
       (resid 18 and name H4')
   1.000  -162.0    10.0   2

assign (resid 19 and name H1')
       (resid 19 and name C1')
       (resid 19 and name C2')
       (resid 19 and name H2')
   1.000  99.2    10.0   2

assign (resid 19 and name H2')
       (resid 19 and name C2')
       (resid 19 and name C3')
       (resid 19 and name H3')
   1.000  39.4    10.0   2

assign (resid 19 and name H3')
       (resid 19 and name C3')
       (resid 19 and name C4')
       (resid 19 and name H4')
   1.000  -162.0    10.0   2

assign (resid 20 and name H1')
       (resid 20 and name C1')
       (resid 20 and name C2')
       (resid 20 and name H2')
   1.000  99.2    10.0   2

assign (resid 20 and name H2')
       (resid 20 and name C2')
       (resid 20 and name C3')
       (resid 20 and name H3')
   1.000  39.4    10.0   2

assign (resid 20 and name H3')
       (resid 20 and name C3')
       (resid 20 and name C4')
       (resid 20 and name H4')
   1.000  -162.0    10.0   2

assign (resid 21 and name H1')
       (resid 21 and name C1')
       (resid 21 and name C2')
       (resid 21 and name H2')
   1.000  99.2    10.0   2

assign (resid 21 and name H2')
       (resid 21 and name C2')
       (resid 21 and name C3')
       (resid 21 and name H3')
   1.000  39.4    10.0   2

assign (resid 21 and name H3')
       (resid 21 and name C3')
       (resid 21 and name C4')
       (resid 21 and name H4')
   1.000  -162.0    10.0   2

! U22 S-type
assign (resid 22 and name H1')
       (resid 22 and name C1')
       (resid 22 and name C2')
       (resid 22 and name H2')
   1.000  157.4    10.0   2

assign (resid 22 and name H2')
       (resid 22 and name C2')
       (resid 22 and name C3')
       (resid 22 and name H3')
   1.000  -34.6    10.0    2


assign (resid 22 and name H3')
       (resid 22 and name C3')
       (resid 22 and name C4')
       (resid 22 and name H4')
   1.000  -100.5  10.0    2  
     


assign (resid 23 and name H1')
       (resid 23 and name C1')
       (resid 23 and name C2')
       (resid 23 and name H2')
   1.000  99.2    10.0   2     

assign (resid 23 and name H2')
       (resid 23 and name C2')
       (resid 23 and name C3')
       (resid 23 and name H3')
   1.000  39.4    10.0    2     

assign (resid 23 and name H3')
       (resid 23 and name C3')
       (resid 23 and name C4')
       (resid 23 and name H4')
   1.000  -162.0  10.0    2  



assign (resid 24 and name H1')
       (resid 24 and name C1')
       (resid 24 and name C2')
       (resid 24 and name H2')
   1.000  99.2    10.0   2     

assign (resid 24 and name H2')
       (resid 24 and name C2')
       (resid 24 and name C3')
       (resid 24 and name H3')
   1.000  39.4    10.0    2     

assign (resid 24 and name H3')
       (resid 24 and name C3')
       (resid 24 and name C4')
       (resid 24 and name H4')
   1.000  -162.0  10.0    2  



assign (resid 25 and name H1')
       (resid 25 and name C1')
       (resid 25 and name C2')
       (resid 25 and name H2')
   1.000  99.2    10.0   2     

assign (resid 25 and name H2')
       (resid 25 and name C2')
       (resid 25 and name C3')
       (resid 25 and name H3')
   1.000  39.4    10.0    2     

assign (resid 25 and name H3')
       (resid 25 and name C3')
       (resid 25 and name C4')
       (resid 25 and name H4')
   1.000  -162.0  10.0    2  

assign (resid 26 and name H1')
       (resid 26 and name C1')
       (resid 26 and name C2')
       (resid 26 and name H2')
   1.000  99.2    10.0   2

assign (resid 26 and name H2')
       (resid 26 and name C2')
       (resid 26 and name C3')
       (resid 26 and name H3')
   1.000  39.4    10.0   2

assign (resid 26 and name H3')
       (resid 26 and name C3')
       (resid 26 and name C4')
       (resid 26 and name H4')
   1.000  -162.0    10.0   2

assign (resid 27 and name H1')
       (resid 27 and name C1')
       (resid 27 and name C2')
       (resid 27 and name H2')
   1.000  99.2    10.0   2

assign (resid 27 and name H2')
       (resid 27 and name C2')
       (resid 27 and name C3')
       (resid 27 and name H3')
   1.000  39.4    10.0   2

assign (resid 27 and name H3')
       (resid 27 and name C3')
       (resid 27 and name C4')
       (resid 27 and name H4')
   1.000  -162.0    10.0   2

assign (resid 28 and name H1')
       (resid 28 and name C1')
       (resid 28 and name C2')
       (resid 28 and name H2')
   1.000  99.2    10.0   2

assign (resid 28 and name H2')
       (resid 28 and name C2')
       (resid 28 and name C3')
       (resid 28 and name H3')
   1.000  39.4    10.0   2

assign (resid 28 and name H3')
       (resid 28 and name C3')
       (resid 28 and name C4')
       (resid 28 and name H4')
   1.000  -162.0    10.0   2


assign (resid 29 and name H1')
       (resid 29 and name C1')
       (resid 29 and name C2')
       (resid 29 and name H2')
   1.000  99.2    10.0   2     

assign (resid 29 and name H2')
       (resid 29 and name C2')
       (resid 29 and name C3')
       (resid 29 and name H3')
   1.000  39.4    10.0    2     

assign (resid 29 and name H3')
       (resid 29 and name C3')
       (resid 29 and name C4')
       (resid 29 and name H4')
   1.000  -162.0  10.0    2 

assign (resid 30 and name H1')
       (resid 30 and name C1')
       (resid 30 and name C2')
       (resid 30 and name H2')
   1.000  99.2    10.0   2

assign (resid 30 and name H2')
       (resid 30 and name C2')
       (resid 30 and name C3')
       (resid 30 and name H3')
   1.000  39.4    10.0   2

assign (resid 30 and name H3')
       (resid 30 and name C3')
       (resid 30 and name C4')
       (resid 30 and name H4')
   1.000  -162.0    10.0   2

assign (resid 31 and name H1')
       (resid 31 and name C1')
       (resid 31 and name C2')
       (resid 31 and name H2')
   1.000  99.2    10.0   2

assign (resid 31 and name H2')
       (resid 31 and name C2')
       (resid 31 and name C3')
       (resid 31 and name H3')
   1.000  39.4    10.0   2

assign (resid 31 and name H3')
       (resid 31 and name C3')
       (resid 31 and name C4')
       (resid 31 and name H4')
   1.000  -162.0    10.0   2

assign (resid 32 and name H1')
       (resid 32 and name C1')
       (resid 32 and name C2')
       (resid 32 and name H2')
   1.000  99.2    10.0   2

assign (resid 32 and name H2')
       (resid 32 and name C2')
       (resid 32 and name C3')
       (resid 32 and name H3')
   1.000  39.4    10.0   2

assign (resid 32 and name H3')
       (resid 32 and name C3')
       (resid 32 and name C4')
       (resid 32 and name H4')
   1.000  -162.0    10.0   2

 
! U33 S-type
assign (resid 33 and name H1')
       (resid 33 and name C1')
       (resid 33 and name C2')
       (resid 33 and name H2')
   1.000  157.4    10.0   2

assign (resid 33 and name H2')
       (resid 33 and name C2')
       (resid 33 and name C3')
       (resid 33 and name H3')
   1.000  -34.6    10.0    2


assign (resid 33 and name H3')
       (resid 33 and name C3')
       (resid 33 and name C4')
       (resid 33 and name H4')
   1.000  -100.5  10.0    2 


 
assign (resid 34 and name H1')
       (resid 34 and name C1')
       (resid 34 and name C2')
       (resid 34 and name H2')
   1.000  99.2    10.0   2     

assign (resid 34 and name H2')
       (resid 34 and name C2')
       (resid 34 and name C3')
       (resid 34 and name H3')
   1.000  39.4    10.0    2     

assign (resid 34 and name H3')
       (resid 34 and name C3')
       (resid 34 and name C4')
       (resid 34 and name H4')
   1.000  -162.0  10.0    2 


assign (resid 35 and name H1')
       (resid 35 and name C1')
       (resid 35 and name C2')
       (resid 35 and name H2')
   1.000  157.4    10.0   2     

assign (resid 35 and name H2')
       (resid 35 and name C2')
       (resid 35 and name C3')
       (resid 35 and name H3')
   1.000  -34.6    10.0    2     

assign (resid 35 and name H3')
       (resid 35 and name C3')
       (resid 35 and name C4')
       (resid 35 and name H4')
   1.000   -100.5  10.0    2 


assign (resid 36 and name H1')
       (resid 36 and name C1')
       (resid 36 and name C2')
       (resid 36 and name H2')
   1.000  99.2    10.0   2     

assign (resid 36 and name H2')
       (resid 36 and name C2')
       (resid 36 and name C3')
       (resid 36 and name H3')
   1.000  39.4    10.0    2     

assign (resid 36 and name H3')
       (resid 36 and name C3')
       (resid 36 and name C4')
       (resid 36 and name H4')
   1.000  -162.0  10.0    2 

assign (resid 37 and name H1')
       (resid 37 and name C1')
       (resid 37 and name C2')
       (resid 37 and name H2')
   1.000  99.2    10.0   2

assign (resid 37 and name H2')
       (resid 37 and name C2')
       (resid 37 and name C3')
       (resid 37 and name H3')
   1.000  39.4    10.0   2

assign (resid 37 and name H3')
       (resid 37 and name C3')
       (resid 37 and name C4')
       (resid 37 and name H4')
   1.000  -162.0    10.0   2

assign (resid 38 and name H1')
       (resid 38 and name C1')
       (resid 38 and name C2')
       (resid 38 and name H2')
   1.000  99.2    10.0   2

assign (resid 38 and name H2')
       (resid 38 and name C2')
       (resid 38 and name C3')
       (resid 38 and name H3')
   1.000  39.4    10.0   2

assign (resid 38 and name H3')
       (resid 38 and name C3')
       (resid 38 and name C4')
       (resid 38 and name H4')
   1.000  -162.0    10.0   2

assign (resid 39 and name H1')
       (resid 39 and name C1')
       (resid 39 and name C2')
       (resid 39 and name H2')
   1.000  99.2    10.0   2

assign (resid 39 and name H2')
       (resid 39 and name C2')
       (resid 39 and name C3')
       (resid 39 and name H3')
   1.000  39.4    10.0   2

assign (resid 39 and name H3')
       (resid 39 and name C3')
       (resid 39 and name C4')
       (resid 39 and name H4')
   1.000  -162.0    10.0   2


assign (resid 40 and name H1')
       (resid 40 and name C1')
       (resid 40 and name C2')
       (resid 40 and name H2')
   1.000  99.2    10.0   2     

assign (resid 40 and name H2')
       (resid 40 and name C2')
       (resid 40 and name C3')
       (resid 40 and name H3')
   1.000  39.4    10.0    2     

assign (resid 40 and name H3')
       (resid 40 and name C3')
       (resid 40 and name C4')
       (resid 40 and name H4')
   1.000  -162.0  10.0    2 



assign (resid 41 and name H1')
       (resid 41 and name C1')
       (resid 41 and name C2')
       (resid 41 and name H2')
   1.000  99.2    10.0   2     

assign (resid 41 and name H2')
       (resid 41 and name C2')
       (resid 41 and name C3')
       (resid 41 and name H3')
   1.000  39.4    10.0    2     

assign (resid 41 and name H3')
       (resid 41 and name C3')
       (resid 41 and name C4')
       (resid 41 and name H4')
   1.000  -162.0  10.0    2 



assign (resid 42 and name H1')
       (resid 42 and name C1')
       (resid 42 and name C2')
       (resid 42 and name H2')
   1.000  99.2    10.0   2     

assign (resid 42 and name H2')
       (resid 42 and name C2')
       (resid 42 and name C3')
       (resid 42 and name H3')
   1.000  39.4    10.0    2     

assign (resid 42 and name H3')
       (resid 42 and name C3')
       (resid 42 and name C4')
       (resid 42 and name H4')
   1.000  -162.0  10.0    2 



assign (resid 43 and name H1')
       (resid 43 and name C1')
       (resid 43 and name C2')
       (resid 43 and name H2')
   1.000  99.2    10.0   2     

assign (resid 43 and name H2')
       (resid 43 and name C2')
       (resid 43 and name C3')
       (resid 43 and name H3')
   1.000  39.4    10.0    2     

assign (resid 43 and name H3')
       (resid 43 and name C3')
       (resid 43 and name C4')
       (resid 43 and name H4')
   1.000  -162.0  10.0    2 




end
set message=on end
!filename: zeta.dat, P between 7 and 8 is shifted


set message=off echo=off end
 restraints
 dihedral

assign (resid 1 and name C3')
       (resid 1 and name O3')
       (resid 2 and name P)
       (resid 2 and name O5')
   1.000  0  120  2

assign (resid 2 and name C3')
       (resid 2 and name O3')
       (resid 3 and name P)
       (resid 3 and name O5')
   1.000  0  120  2

assign (resid 3 and name C3')
       (resid 3 and name O3')
       (resid 4 and name P)
       (resid 4 and name O5')
   1.000  0  120  2

assign (resid 4 and name C3')
       (resid 4 and name O3')
       (resid 5 and name P)
       (resid 5 and name O5')
   1.000  0  120  2

assign (resid 6 and name C3')
       (resid 6 and name O3')
       (resid 7 and name P)
       (resid 7 and name O5')
   1.000  0  120  2

assign (resid 8 and name C3')
       (resid 8 and name O3')
       (resid 9 and name P)
       (resid 9 and name O5')
   1.000  0  120  2

assign (resid 9 and name C3')
       (resid 9 and name O3')
       (resid 10 and name P)
       (resid 10 and name O5')
   1.000  0  120  2

assign (resid 10 and name C3')
       (resid 10 and name O3')
       (resid 11 and name P)
       (resid 11 and name O5')
   1.000  0  120  2

assign (resid 11 and name C3')
       (resid 11 and name O3')
       (resid 12 and name P)
       (resid 12 and name O5')
   1.000  0  120  2

assign (resid 12 and name C3')
       (resid 12 and name O3')
       (resid 13 and name P)
       (resid 13 and name O5')
   1.000  0  120  2

assign (resid 13 and name C3')
       (resid 13 and name O3')
       (resid 14 and name P)
       (resid 14 and name O5')
   1.000  0  120  2

assign (resid 14 and name C3')
       (resid 14 and name O3')
       (resid 15 and name P)
       (resid 15 and name O5')
   1.000  0  120  2

assign (resid 15 and name C3')
       (resid 15 and name O3')
       (resid 16 and name P)
       (resid 16 and name O5')
   1.000  0  120  2

assign (resid 16 and name C3')
       (resid 16 and name O3')
       (resid 17 and name P)
       (resid 17 and name O5')
   1.000  0  120  2

assign (resid 17 and name C3')
       (resid 17 and name O3')
       (resid 18 and name P)
       (resid 18 and name O5')
   1.000  0  120  2

assign (resid 19 and name C3')
       (resid 19 and name O3')
       (resid 20 and name P)
       (resid 20 and name O5')
   1.000  0  120  2

assign (resid 20 and name C3')
       (resid 20 and name O3')
       (resid 21 and name P)
       (resid 21 and name O5')
   1.000  0  120  2

assign (resid 22 and name C3')
       (resid 22 and name O3')
       (resid 23 and name P)
       (resid 23 and name O5')
   1.000  0  120  2

assign (resid 23 and name C3')
       (resid 23 and name O3')
       (resid 24 and name P)
       (resid 24 and name O5')
   1.000  0  120  2

assign (resid 24 and name C3')
       (resid 24 and name O3')
       (resid 25 and name P)
       (resid 25 and name O5')
   1.000  0  120  2

assign (resid 25 and name C3')
       (resid 25 and name O3')
       (resid 26 and name P)
       (resid 26 and name O5')
   1.000  0  120  2

assign (resid 26 and name C3')
       (resid 26 and name O3')
       (resid 27 and name P)
       (resid 27 and name O5')
   1.000  0  120  2

assign (resid 29 and name C3')
       (resid 29 and name O3')
       (resid 30 and name P)
       (resid 30 and name O5')
   1.000  0  120  2

assign (resid 30 and name C3')
       (resid 30 and name O3')
       (resid 31 and name P)
       (resid 31 and name O5')
   1.000  0  120  2

assign (resid 31 and name C3')
       (resid 31 and name O3')
       (resid 32 and name P)
       (resid 32 and name O5')
   1.000  0  120  2

assign (resid 32 and name C3')
       (resid 32 and name O3')
       (resid 33 and name P)
       (resid 33 and name O5')
   1.000  0  120  2

assign (resid 33 and name C3')
       (resid 33 and name O3')
       (resid 34 and name P)
       (resid 34 and name O5')
   1.000  0  120  2

assign (resid 34 and name C3')
       (resid 34 and name O3')
       (resid 35 and name P)
       (resid 35 and name O5')
   1.000  0  120  2

assign (resid 35 and name C3')
       (resid 35 and name O3')
       (resid 36 and name P)
       (resid 36 and name O5')
   1.000  0  120  2

assign (resid 36 and name C3')
       (resid 36 and name O3')
       (resid 37 and name P)
       (resid 37 and name O5')
   1.000  0  120  2

assign (resid 37 and name C3')
       (resid 37 and name O3')
       (resid 38 and name P)
       (resid 38 and name O5')
   1.000  0  120  2

assign (resid 39 and name C3')
       (resid 39 and name O3')
       (resid 40 and name P)
       (resid 40 and name O5')
   1.000  0  120  2

assign (resid 40 and name C3')
       (resid 40 and name O3')
       (resid 41 and name P)
       (resid 41 and name O5')
   1.000  0  120  2

assign (resid 41 and name C3')
       (resid 41 and name O3')
       (resid 42 and name P)
       (resid 42 and name O5')
   1.000  0  120  2

assign (resid 42 and name C3')
       (resid 42 and name O3')
       (resid 43 and name P)
       (resid 43 and name O5')
   1.000  0  120  2

end
set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  61.047  39.524-113.059
    2   2H5*    G   1          2H5*        G   1  61.728  40.502-111.736
    3    H4*    G   1           H4*        G   1  61.960  37.801-111.914
    4    H3*    G   1           H3*        G   1  59.330  38.420-110.672
    5   1H2*    G   1          1H2*        G   1  59.678  37.175-108.724
    6   2HO*    G   1          2HO*        G   1  61.509  35.847-110.357
    7    H1*    G   1           H1*        G   1  62.212  37.798-108.232
    8    H8     G   1           H8         G   1  60.921  40.926-109.744
    9    H1     G   1           H1         G   1  59.747  40.519-103.499
   10   1H2     G   1          1H2         G   1  60.346  37.119-103.879
   11   2H2     G   1          2H2         G   1  59.925  38.438-102.804
   12    H5T    G   1           H5T        G   1  59.542  40.980-112.127
   13   1H5*    G   2          1H5*        G   2  56.780  34.623-110.446
   14   2H5*    G   2          2H5*        G   2  58.502  34.926-110.269
   15    H4*    G   2           H4*        G   2  57.651  34.757-108.074
   16    H3*    G   2           H3*        G   2  55.439  36.556-109.056
   17   1H2*    G   2          1H2*        G   2  55.233  37.452-106.933
   18   2HO*    G   2          2HO*        G   2  56.562  35.096-106.037
   19    H1*    G   2           H1*        G   2  57.901  37.144-106.151
   20    H8     G   2           H8         G   2  57.614  39.272-109.222
   21    H1     G   2           H1         G   2  56.212  42.390-103.850
   22   1H2     G   2          1H2         G   2  55.935  39.211-102.454
   23   2H2     G   2          2H2         G   2  55.828  40.941-102.216
   24   1H5*    G   3          1H5*        G   3  51.906  33.428-106.343
   25   2H5*    G   3          2H5*        G   3  53.659  33.594-106.341
   26    H4*    G   3           H4*        G   3  52.936  34.324-104.199
   27    H3*    G   3           H3*        G   3  50.780  35.655-105.785
   28   1H2*    G   3          1H2*        G   3  50.741  37.538-104.469
   29   2HO*    G   3          2HO*        G   3  51.896  35.883-102.462
   30    H1*    G   3           H1*        G   3  53.374  37.506-103.572
   31    H8     G   3           H8         G   3  53.129  37.581-107.331
   32    H1     G   3           H1         G   3  52.651  43.306-104.572
   33   1H2     G   3          1H2         G   3  52.046  41.496-101.659
   34   2H2     G   3          2H2         G   3  52.202  43.067-102.415
   35   1H5*    A   4          1H5*        A   4  47.399  34.521-101.431
   36   2H5*    A   4          2H5*        A   4  49.147  34.336-101.404
   37    H4*    A   4           H4*        A   4  48.709  35.651 -99.509
   38    H3*    A   4           H3*        A   4  46.582  36.862-101.235
   39   1H2*    A   4          1H2*        A   4  46.801  38.973-100.340
   40   2HO*    A   4          2HO*        A   4  48.108  39.270 -98.385
   41    H1*    A   4           H1*        A   4  49.506  39.035 -99.995
   42    H8     A   4           H8         A   4  48.701  37.463-103.297
   43   1H6     A   4          1H6         A   4  48.834  43.154-105.633
   44   2H6     A   4          2H6         A   4  48.905  41.448-106.011
   45    H2     A   4           H2         A   4  48.612  43.481-101.153
   46   1H5*    G   5          1H5*        G   5  43.183  38.049 -97.684
   47   2H5*    G   5          2H5*        G   5  44.925  37.826 -97.597
   48    H4*    G   5           H4*        G   5  44.626  40.150 -97.412
   49    H3*    G   5           H3*        G   5  42.489  39.733 -99.471
   50   1H2*    G   5          1H2*        G   5  42.863  41.770-100.471
   51   2HO*    G   5          2HO*        G   5  44.042  43.443 -99.331
   52    H1*    G   5           H1*        G   5  45.601  42.011 -99.906
   53    H8     G   5           H8         G   5  44.960  38.793-101.677
   54    H1     G   5           H1         G   5  45.354  43.773-105.630
   55   1H2     G   5          1H2         G   5  45.086  45.671-104.517
   56   2H2     G   5          2H2         G   5  44.818  45.707-102.785
   57   1H5*    C   6          1H5*        C   6  38.882  42.403 -97.509
   58   2H5*    C   6          2H5*        C   6  40.243  43.178 -98.374
   59    H4*    C   6           H4*        C   6  38.021  43.880 -99.246
   60    H3*    C   6           H3*        C   6  37.746  40.918 -99.555
   61   1H2*    C   6          1H2*        C   6  36.830  41.033-101.648
   62   2HO*    C   6          2HO*        C   6  35.209  42.561-101.014
   63    H1*    C   6           H1*        C   6  38.084  43.332-102.585
   64   1H4     C   6          1H4         C   6  40.967  38.578-105.638
   65   2H4     C   6          2H4         C   6  41.436  37.819-104.133
   66    H5     C   6           H5         C   6  40.832  38.689-101.973
   67    H6     C   6           H6         C   6  39.685  40.499-100.782
   68   1H5*    U   7          1H5*        U   7  32.556  41.252 -99.123
   69   2H5*    U   7          2H5*        U   7  33.845  42.270 -99.834
   70    H4*    U   7           H4*        U   7  32.448  41.546-101.638
   71    H3*    U   7           H3*        U   7  32.594  38.910-100.231
   72   1H2*    U   7          1H2*        U   7  32.764  37.681-102.157
   73   2HO*    U   7          2HO*        U   7  31.693  39.916-103.562
   74    H1*    U   7           H1*        U   7  33.996  39.607-103.805
   75    H3     U   7           H3         U   7  36.917  36.245-104.220
   76    H5     U   7           H5         U   7  37.123  37.169-100.114
   77    H6     U   7           H6         U   7  35.310  38.742-100.438
   78   1H5*    C   8          1H5*        C   8  30.136  36.147-100.611
   79   2H5*    C   8          2H5*        C   8  28.352  36.145-100.463
   80    H4*    C   8           H4*        C   8  29.020  34.666-102.271
   81    H3*    C   8           H3*        C   8  31.000  36.659-102.742
   82   1H2*    C   8          1H2*        C   8  30.074  37.865-104.375
   83   2HO*    C   8          2HO*        C   8  29.988  35.381-105.778
   84    H1*    C   8           H1*        C   8  27.926  36.044-105.203
   85   1H4     C   8          1H4         C   8  25.439  41.760-106.195
   86   2H4     C   8          2H4         C   8  26.130  42.367-104.706
   87    H5     C   8           H5         C   8  27.484  41.007-103.241
   88    H6     C   8           H6         C   8  28.486  38.829-102.880
   89   1H5*    A   9          1H5*        A   9  32.574  33.321-106.697
   90   2H5*    A   9          2H5*        A   9  30.834  33.688-106.515
   91    H4*    A   9           H4*        A   9  31.606  33.651-108.889
   92    H3*    A   9           H3*        A   9  33.439  35.757-107.813
   93   1H2*    A   9          1H2*        A   9  33.176  37.141-109.627
   94   2HO*    A   9          2HO*        A   9  32.389  36.371-111.635
   95    H1*    A   9           H1*        A   9  30.542  36.569-110.260
   96    H8     A   9           H8         A   9  30.063  37.362-106.828
   97   1H6     A   9          1H6         A   9  31.720  43.219-107.751
   98   2H6     A   9          2H6         A   9  30.940  42.106-106.649
   99    H2     A   9           H2         A   9  33.005  40.821-111.329
  100   1H5*    A  10          1H5*        A  10  37.217  34.693-111.322
  101   2H5*    A  10          2H5*        A  10  35.436  34.535-111.387
  102    H4*    A  10           H4*        A  10  35.877  36.221-112.944
  103    H3*    A  10           H3*        A  10  38.056  37.028-111.054
  104   1H2*    A  10          1H2*        A  10  37.813  39.269-111.495
  105   2HO*    A  10          2HO*        A  10  37.873  38.985-113.798
  106    H1*    A  10           H1*        A  10  35.092  39.376-111.921
  107    H8     A  10           H8         A  10  35.654  37.540-108.722
  108   1H6     A  10          1H6         A  10  36.970  42.928-106.048
  109   2H6     A  10          2H6         A  10  36.594  41.242-105.766
  110    H2     A  10           H2         A  10  36.922  43.538-110.503
  111   1H5*    C  11          1H5*        C  11  41.139  38.913-114.776
  112   2H5*    C  11          2H5*        C  11  39.354  38.821-114.724
  113    H4*    C  11           H4*        C  11  39.972  41.148-114.772
  114    H3*    C  11           H3*        C  11  41.956  40.291-112.698
  115   1H2*    C  11          1H2*        C  11  41.685  42.163-111.409
  116   2HO*    C  11          2HO*        C  11  40.809  44.100-112.244
  117    H1*    C  11           H1*        C  11  39.018  42.686-111.877
  118   1H4     C  11          1H4         C  11  39.837  38.652-106.680
  119   2H4     C  11          2H4         C  11  39.374  40.212-106.038
  120    H5     C  11           H5         C  11  40.212  38.249-109.023
  121    H6     C  11           H6         C  11  40.229  39.252-111.257
  122   1H5*    U  12          1H5*        U  12  44.312  44.943-114.340
  123   2H5*    U  12          2H5*        U  12  42.605  44.462-114.563
  124    H4*    U  12           H4*        U  12  42.714  46.682-113.574
  125    H3*    U  12           H3*        U  12  44.587  45.320-111.677
  126   1H2*    U  12          1H2*        U  12  43.774  46.429-109.839
  127   2HO*    U  12          2HO*        U  12  42.641  48.343-111.621
  128    H1*    U  12           H1*        U  12  41.118  46.774-110.680
  129    H3     U  12           H3         U  12  40.103  44.289-107.119
  130    H5     U  12           H5         U  12  43.168  42.043-108.943
  131    H6     U  12           H6         U  12  43.336  43.774-110.639
  132   1H5*    C  13          1H5*        C  13  47.235  50.016-111.381
  133   2H5*    C  13          2H5*        C  13  45.607  49.503-111.811
  134    H4*    C  13           H4*        C  13  45.499  50.881-109.826
  135    H3*    C  13           H3*        C  13  47.719  49.076-108.933
  136   1H2*    C  13          1H2*        C  13  46.947  48.987-106.738
  137   2HO*    C  13          2HO*        C  13  45.452  51.270-107.487
  138    H1*    C  13           H1*        C  13  44.337  48.748-107.209
  139   1H4     C  13          1H4         C  13  45.938  42.651-106.987
  140   2H4     C  13          2H4         C  13  46.310  42.696-108.696
  141    H5     C  13           H5         C  13  46.484  44.742-109.954
  142    H6     C  13           H6         C  13  46.169  47.169-109.885
  143   1H5*    U  14          1H5*        U  14  50.216  52.240-105.821
  144   2H5*    U  14          2H5*        U  14  48.497  52.289-106.188
  145    H4*    U  14           H4*        U  14  48.552  51.677-103.936
  146    H3*    U  14           H3*        U  14  50.957  50.044-104.709
  147   1H2*    U  14          1H2*        U  14  50.490  48.448-103.095
  148   2HO*    U  14          2HO*        U  14  48.865  48.910-101.444
  149    H1*    U  14           H1*        U  14  47.735  48.530-103.230
  150    H3     U  14           H3         U  14  48.964  44.311-104.298
  151    H5     U  14           H5         U  14  49.409  46.517-107.858
  152    H6     U  14           H6         U  14  49.151  48.542-106.561
  153   1H5*    C  15          1H5*        C  15  52.831  51.183 -99.903
  154   2H5*    C  15          2H5*        C  15  51.346  51.278-100.844
  155    H4*    C  15           H4*        C  15  51.152  49.421 -99.336
  156    H3*    C  15           H3*        C  15  53.893  48.745-100.373
  157   1H2*    C  15          1H2*        C  15  53.466  46.481-100.296
  158   2HO*    C  15          2HO*        C  15  51.424  47.191 -98.457
  159    H1*    C  15           H1*        C  15  50.776  46.544-100.868
  160   1H4     C  15          1H4         C  15  53.248  44.202-106.157
  161   2H4     C  15          2H4         C  15  53.458  45.829-106.770
  162    H5     C  15           H5         C  15  53.228  47.801-105.390
  163    H6     C  15           H6         C  15  52.576  48.638-103.180
  164   1H5*    C  16          1H5*        C  16  55.382  46.562 -95.901
  165   2H5*    C  16          2H5*        C  16  53.828  46.968 -96.617
  166    H4*    C  16           H4*        C  16  54.013  44.596 -96.696
  167    H3*    C  16           H3*        C  16  56.791  45.164 -97.703
  168   1H2*    C  16          1H2*        C  16  56.748  43.307 -99.051
  169   2HO*    C  16          2HO*        C  16  55.077  41.654 -98.707
  170    H1*    C  16           H1*        C  16  54.054  43.240 -99.583
  171   1H4     C  16          1H4         C  16  56.746  46.295-104.693
  172   2H4     C  16          2H4         C  16  56.778  44.590-105.093
  173    H5     C  16           H5         C  16  56.204  47.126-102.482
  174    H6     C  16           H6         C  16  55.455  46.491-100.230
  175   1H5*    C  17          1H5*        C  17  59.157  41.220 -94.820
  176   2H5*    C  17          2H5*        C  17  57.424  41.334 -95.095
  177    H4*    C  17           H4*        C  17  57.976  39.275 -96.045
  178    H3*    C  17           H3*        C  17  60.510  40.658 -96.842
  179   1H2*    C  17          1H2*        C  17  60.723  39.467 -98.802
  180   2HO*    C  17          2HO*        C  17  59.453  37.500 -99.112
  181    H1*    C  17           H1*        C  17  58.022  39.083 -99.370
  182   1H4     C  17          1H4         C  17  59.360  44.636-102.524
  183   2H4     C  17          2H4         C  17  59.707  43.362-103.673
  184    H5     C  17           H5         C  17  58.962  44.227-100.183
  185    H6     C  17           H6         C  17  58.650  42.501 -98.473
  186   1H5*    C  18          1H5*        C  18  62.964  36.113 -96.484
  187   2H5*    C  18          2H5*        C  18  61.338  36.774 -96.623
  188    H4*    C  18           H4*        C  18  61.950  35.931 -98.774
  189    H3*    C  18           H3*        C  18  64.520  37.394 -98.241
  190   1H2*    C  18          1H2*        C  18  64.754  38.013-100.445
  191   2HO*    C  18          2HO*        C  18  63.034  35.816-100.973
  192    H1*    C  18           H1*        C  18  62.053  38.203-101.118
  193   1H4     C  18          1H4         C  18  64.029  44.198-101.113
  194   2H4     C  18          2H4         C  18  63.638  44.306 -99.411
  195    H5     C  18           H5         C  18  63.131  42.386 -98.053
  196    H6     C  18           H6         C  18  62.703  39.971 -98.066
  197   1H5*    C  19          1H5*        C  19  66.611  32.946-100.803
  198   2H5*    C  19          2H5*        C  19  65.052  33.718-100.528
  199    H4*    C  19           H4*        C  19  65.555  33.760-102.900
  200    H3*    C  19           H3*        C  19  68.181  34.814-101.911
  201   1H2*    C  19          1H2*        C  19  68.387  36.360-103.611
  202   2HO*    C  19          2HO*        C  19  66.348  34.870-104.938
  203    H1*    C  19           H1*        C  19  65.786  37.094-103.851
  204   1H4     C  19          1H4         C  19  68.048  41.783-100.302
  205   2H4     C  19          2H4         C  19  67.761  40.829 -98.861
  206    H5     C  19           H5         C  19  67.190  38.483 -98.918
  207    H6     C  19           H6         C  19  66.620  36.591-100.369
  208   1H5*    C  20          1H5*        C  20  71.285  32.695-105.384
  209   2H5*    C  20          2H5*        C  20  69.618  33.240-105.515
  210    H4*    C  20           H4*        C  20  70.982  34.740-106.798
  211    H3*    C  20           H3*        C  20  72.698  34.650-104.358
  212   1H2*    C  20          1H2*        C  20  73.270  36.848-104.457
  213   2HO*    C  20          2HO*        C  20  72.696  38.016-106.551
  214    H1*    C  20           H1*        C  20  70.980  37.856-105.619
  215   1H4     C  20          1H4         C  20  70.641  40.026 -99.735
  216   2H4     C  20          2H4         C  20  69.886  38.527 -99.234
  217    H5     C  20           H5         C  20  69.808  36.561-100.643
  218    H6     C  20           H6         C  20  70.212  35.696-102.907
  219   1H5*    C  21          1H5*        C  21  76.826  34.932-106.771
  220   2H5*    C  21          2H5*        C  21  75.448  36.002-106.382
  221    H4*    C  21           H4*        C  21  77.596  37.026-105.767
  222    H3*    C  21           H3*        C  21  77.913  34.454-104.266
  223   1H2*    C  21          1H2*        C  21  78.842  35.490-102.432
  224   2HO*    C  21          2HO*        C  21  80.478  36.551-103.563
  225    H1*    C  21           H1*        C  21  77.606  38.017-102.725
  226   1H4     C  21          1H4         C  21  75.794  35.018 -97.352
  227   2H4     C  21          2H4         C  21  74.193  34.979 -98.054
  228    H5     C  21           H5         C  21  73.742  35.593-100.329
  229    H6     C  21           H6         C  21  74.695  36.414-102.437
  230   1H5*    U  22          1H5*        U  22  82.283  36.640-106.274
  231   2H5*    U  22          2H5*        U  22  82.206  38.090-105.229
  232    H4*    U  22           H4*        U  22  84.022  37.139-103.828
  233    H3*    U  22           H3*        U  22  84.238  38.281-106.399
  234   1H2*    U  22          1H2*        U  22  84.994  36.497-107.575
  235   2HO*    U  22          2HO*        U  22  87.264  36.239-107.397
  236    H1*    U  22           H1*        U  22  86.269  35.097-105.281
  237    H3     U  22           H3         U  22  86.911  31.926-108.423
  238    H5     U  22           H5         U  22  82.731  32.473-108.379
  239    H6     U  22           H6         U  22  83.058  34.326-106.850
  240   1H5*    U  23          1H5*        U  23  87.994  37.425-106.348
  241   2H5*    U  23          2H5*        U  23  89.006  38.670-107.141
  242    H4*    U  23           H4*        U  23  90.334  36.829-106.081
  243    H3*    U  23           H3*        U  23  88.789  37.775-103.714
  244   1H2*    U  23          1H2*        U  23  90.579  37.833-102.301
  245   2HO*    U  23          2HO*        U  23  91.927  36.065-104.077
  246    H1*    U  23           H1*        U  23  92.613  38.302-104.110
  247    H3     U  23           H3         U  23  93.143  41.849-101.413
  248    H5     U  23           H5         U  23  89.225  42.341-102.891
  249    H6     U  23           H6         U  23  89.461  40.211-104.034
  250   1H5*    U  24          1H5*        U  24  88.901  32.383-102.886
  251   2H5*    U  24          2H5*        U  24  90.105  33.622-103.352
  252    H4*    U  24           H4*        U  24  90.842  32.020-101.526
  253    H3*    U  24           H3*        U  24  88.488  33.342-100.256
  254   1H2*    U  24          1H2*        U  24  89.498  33.625 -98.217
  255   2HO*    U  24          2HO*        U  24  91.457  32.561 -97.682
  256    H1*    U  24           H1*        U  24  91.964  34.349 -99.080
  257    H3     U  24           H3         U  24  89.535  37.745 -97.094
  258    H5     U  24           H5         U  24  88.489  37.819-101.174
  259    H6     U  24           H6         U  24  89.801  35.784-101.482
  260   1H5*    U  25          1H5*        U  25  86.076  29.549 -97.762
  261   2H5*    U  25          2H5*        U  25  87.821  29.578 -97.965
  262    H4*    U  25           H4*        U  25  87.472  29.857 -95.658
  263    H3*    U  25           H3*        U  25  85.311  31.774 -96.467
  264   1H2*    U  25          1H2*        U  25  85.599  32.941 -94.468
  265   2HO*    U  25          2HO*        U  25  86.808  32.071 -92.739
  266    H1*    U  25           H1*        U  25  88.298  32.686 -94.339
  267    H3     U  25           H3         U  25  87.225  37.096 -94.524
  268    H5     U  25           H5         U  25  87.493  35.812 -98.524
  269    H6     U  25           H6         U  25  87.548  33.523 -97.720
  270   1H5*    C  26          1H5*        C  26  81.369  30.317 -92.601
  271   2H5*    C  26          2H5*        C  26  82.742  30.136 -91.556
  272    H4*    C  26           H4*        C  26  82.495  32.339 -91.330
  273    H3*    C  26           H3*        C  26  81.320  32.493 -94.108
  274   1H2*    C  26          1H2*        C  26  81.465  34.825 -93.792
  275   2HO*    C  26          2HO*        C  26  82.126  34.332 -91.064
  276    H1*    C  26           H1*        C  26  83.862  34.728 -92.392
  277   1H4     C  26          1H4         C  26  85.251  37.241 -98.018
  278   2H4     C  26          2H4         C  26  85.184  35.661 -98.775
  279    H5     C  26           H5         C  26  84.354  33.680 -97.633
  280    H6     C  26           H6         C  26  83.585  32.783 -95.485
  281   1H5*    C  27          1H5*        C  27  77.021  34.594 -91.444
  282   2H5*    C  27          2H5*        C  27  78.650  34.029 -91.087
  283    H4*    C  27           H4*        C  27  78.669  36.376 -90.730
  284    H3*    C  27           H3*        C  27  77.160  36.482 -93.334
  285   1H2*    C  27          1H2*        C  27  78.143  38.480 -93.918
  286   2HO*    C  27          2HO*        C  27  79.230  39.783 -92.310
  287    H1*    C  27           H1*        C  27  80.609  38.080 -92.644
  288   1H4     C  27          1H4         C  27  81.984  37.822 -98.788
  289   2H4     C  27          2H4         C  27  81.727  36.090 -98.750
  290    H5     C  27           H5         C  27  80.673  34.953 -96.897
  291    H6     C  27           H6         C  27  79.824  35.208 -94.610
  292   1H5*    G  28          1H5*        G  28  73.974  40.498 -91.622
  293   2H5*    G  28          2H5*        G  28  75.505  39.964 -90.942
  294    H4*    G  28           H4*        G  28  75.915  42.176 -91.626
  295    H3*    G  28           H3*        G  28  74.176  41.445 -93.957
  296   1H2*    G  28          1H2*        G  28  75.366  42.725 -95.453
  297   2HO*    G  28          2HO*        G  28  76.944  44.304 -94.617
  298    H1*    G  28           H1*        G  28  77.893  42.437 -94.395
  299    H8     G  28           H8         G  28  76.198  39.087 -94.673
  300    H1     G  28           H1         G  28  78.890  41.031-100.109
  301   1H2     G  28          1H2         G  28  78.954  44.170 -98.607
  302   2H2     G  28          2H2         G  28  79.318  43.201-100.018
  303   1H5*    A  29          1H5*        A  29  73.041  46.683 -94.052
  304   2H5*    A  29          2H5*        A  29  74.284  45.663 -93.339
  305    H4*    A  29           H4*        A  29  75.412  47.072 -94.871
  306    H3*    A  29           H3*        A  29  73.083  46.454 -96.672
  307   1H2*    A  29          1H2*        A  29  74.417  46.609 -98.568
  308   2HO*    A  29          2HO*        A  29  76.602  47.501 -98.364
  309    H1*    A  29           H1*        A  29  76.739  45.553 -97.488
  310    H8     A  29           H8         A  29  73.825  43.320 -96.676
  311   1H6     A  29          1H6         A  29  74.980  40.521-102.041
  312   2H6     A  29          2H6         A  29  74.194  40.370-100.486
  313    H2     A  29           H2         A  29  77.141  44.463-102.025
  314   1H5*    G  30          1H5*        G  30  72.664  50.425 -99.435
  315   2H5*    G  30          2H5*        G  30  74.067  49.744 -98.621
  316    H4*    G  30           H4*        G  30  74.286  49.297-100.969
  317    H3*    G  30           H3*        G  30  71.440  48.358-100.688
  318   1H2*    G  30          1H2*        G  30  71.754  46.737-102.338
  319   2HO*    G  30          2HO*        G  30  73.952  46.731-103.403
  320    H1*    G  30           H1*        G  30  74.233  45.912-101.566
  321    H8     G  30           H8         G  30  72.007  46.497 -98.529
  322    H1     G  30           H1         G  30  71.281  40.810-101.300
  323   1H2     G  30          1H2         G  30  72.990  42.256-103.963
  324   2H2     G  30          2H2         G  30  72.189  40.841-103.317
  325   1H5*    G  31          1H5*        G  31  69.391  50.592-105.112
  326   2H5*    G  31          2H5*        G  31  71.114  50.252-105.000
  327    H4*    G  31           H4*        G  31  70.401  48.964-106.836
  328    H3*    G  31           H3*        G  31  67.952  48.550-105.156
  329   1H2*    G  31          1H2*        G  31  67.612  46.371-105.912
  330   2HO*    G  31          2HO*        G  31  69.501  47.030-107.959
  331    H1*    G  31           H1*        G  31  70.195  45.535-105.931
  332    H8     G  31           H8         G  31  69.599  47.737-102.913
  333    H1     G  31           H1         G  31  67.865  41.670-102.033
  334   1H2     G  31          1H2         G  31  68.048  41.426-105.492
  335   2H2     G  31          2H2         G  31  67.711  40.631-103.971
  336   1H5*    G  32          1H5*        G  32  65.280  48.045-110.012
  337   2H5*    G  32          2H5*        G  32  67.008  48.137-109.699
  338    H4*    G  32           H4*        G  32  66.840  46.056-110.699
  339    H3*    G  32           H3*        G  32  64.107  46.021-109.531
  340   1H2*    G  32          1H2*        G  32  64.061  43.800-109.028
  341   2HO*    G  32          2HO*        G  32  65.618  42.329-109.936
  342    H1*    G  32           H1*        G  32  66.630  43.404-108.234
  343    H8     G  32           H8         G  32  65.423  46.766-107.077
  344    H1     G  32           H1         G  32  64.020  42.098-102.987
  345   1H2     G  32          1H2         G  32  64.604  39.953-105.654
  346   2H2     G  32          2H2         G  32  64.139  40.136-103.973
  347   1H5*    U  33          1H5*        U  33  63.959  41.906-112.101
  348   2H5*    U  33          2H5*        U  33  62.367  42.263-112.843
  349    H4*    U  33           H4*        U  33  63.401  40.534-114.153
  350    H3*    U  33           H3*        U  33  65.832  41.673-113.395
  351   1H2*    U  33          1H2*        U  33  66.034  43.329-114.934
  352   2HO*    U  33          2HO*        U  33  66.495  41.070-116.624
  353    H1*    U  33           H1*        U  33  64.509  41.980-117.109
  354    H3     U  33           H3         U  33  64.400  45.872-119.296
  355    H5     U  33           H5         U  33  63.803  47.057-115.294
  356    H6     U  33           H6         U  33  64.028  44.732-114.639
  357   1H5*    C  34          1H5*        C  34  68.110  40.208-115.873
  358   2H5*    C  34          2H5*        C  34  68.516  40.877-114.264
  359    H4*    C  34           H4*        C  34  70.177  38.908-115.900
  360    H3*    C  34           H3*        C  34  70.203  39.757-113.057
  361   1H2*    C  34          1H2*        C  34  72.441  40.263-112.960
  362   2HO*    C  34          2HO*        C  34  73.929  39.366-114.464
  363    H1*    C  34           H1*        C  34  72.838  41.038-115.622
  364   1H4     C  34          1H4         C  34  71.585  45.862-111.238
  365   2H4     C  34          2H4         C  34  73.062  46.308-112.062
  366    H5     C  34           H5         C  34  70.368  43.854-111.730
  367    H6     C  34           H6         C  34  70.220  41.882-113.140
  368   1H5*    A  35          1H5*        A  35  73.723  36.722-112.114
  369   2H5*    A  35          2H5*        A  35  73.082  37.928-113.260
  370    H4*    A  35           H4*        A  35  74.957  39.009-112.485
  371    H3*    A  35           H3*        A  35  74.875  37.168-110.374
  372   1H2*    A  35          1H2*        A  35  73.866  38.389-108.773
  373   2HO*    A  35          2HO*        A  35  75.357  39.786-107.692
  374    H1*    A  35           H1*        A  35  74.692  41.035-109.838
  375    H8     A  35           H8         A  35  71.466  40.779-110.682
  376   1H6     A  35          1H6         A  35  69.035  42.091-106.751
  377   2H6     A  35          2H6         A  35  69.448  42.089-105.055
  378    H2     A  35           H2         A  35  73.639  40.576-104.708
  379   1H5*    U  36          1H5*        U  36  80.054  39.462-110.363
  380   2H5*    U  36          2H5*        U  36  78.440  39.766-110.985
  381    H4*    U  36           H4*        U  36  79.130  41.802-110.029
  382    H3*    U  36           H3*        U  36  80.194  40.081-107.807
  383   1H2*    U  36          1H2*        U  36  79.785  41.718-106.238
  384   2HO*    U  36          2HO*        U  36  79.904  43.464-108.462
  385    H1*    U  36           H1*        U  36  77.542  42.866-107.424
  386    H3     U  36           H3         U  36  76.396  41.657-103.210
  387    H5     U  36           H5         U  36  75.927  38.225-105.600
  388    H6     U  36           H6         U  36  77.143  39.343-107.355
  389   1H5*    C  37          1H5*        C  37  83.776  43.778-107.209
  390   2H5*    C  37          2H5*        C  37  82.225  43.470-107.980
  391    H4*    C  37           H4*        C  37  81.815  44.880-106.101
  392    H3*    C  37           H3*        C  37  83.524  42.898-104.598
  393   1H2*    C  37          1H2*        C  37  82.289  43.263-102.679
  394   2HO*    C  37          2HO*        C  37  81.589  45.722-103.916
  395    H1*    C  37           H1*        C  37  79.849  43.848-103.925
  396   1H4     C  37          1H4         C  37  79.052  38.478-100.705
  397   2H4     C  37          2H4         C  37  79.462  37.577-102.146
  398    H5     C  37           H5         C  37  80.410  38.596-104.116
  399    H6     C  37           H6         C  37  80.983  40.719-105.190
  400   1H5*    G  38          1H5*        G  38  86.084  46.959-101.935
  401   2H5*    G  38          2H5*        G  38  84.595  47.075-102.865
  402    H4*    G  38           H4*        G  38  83.974  47.772-100.708
  403    H3*    G  38           H3*        G  38  85.867  45.623 -99.814
  404   1H2*    G  38          1H2*        G  38  84.617  45.060 -97.966
  405   2HO*    G  38          2HO*        G  38  82.829  46.479 -97.304
  406    H1*    G  38           H1*        G  38  82.099  45.415 -98.999
  407    H8     G  38           H8         G  38  84.311  43.555-101.438
  408    H1     G  38           H1         G  38  81.669  39.812 -97.008
  409   1H2     G  38          1H2         G  38  81.078  42.779 -95.288
  410   2H2     G  38          2H2         G  38  80.939  41.036 -95.314
  411   1H5*    G  39          1H5*        G  39  87.275  47.851 -95.465
  412   2H5*    G  39          2H5*        G  39  85.998  48.129 -96.645
  413    H4*    G  39           H4*        G  39  84.913  46.815 -95.076
  414    H3*    G  39           H3*        G  39  87.602  45.567 -94.662
  415   1H2*    G  39          1H2*        G  39  86.707  43.424 -94.367
  416   2HO*    G  39          2HO*        G  39  84.905  44.919 -92.993
  417    H1*    G  39           H1*        G  39  84.172  43.853 -95.518
  418    H8     G  39           H8         G  39  86.620  43.876 -98.293
  419    H1     G  39           H1         G  39  84.932  38.058 -96.302
  420   1H2     G  39          1H2         G  39  84.105  38.184 -94.247
  421   2H2     G  39          2H2         G  39  83.969  39.700 -93.385
  422   1H5*    A  40          1H5*        A  40  88.699  45.601 -90.086
  423   2H5*    A  40          2H5*        A  40  87.625  46.315 -88.882
  424    H4*    A  40           H4*        A  40  87.229  44.257 -88.035
  425    H3*    A  40           H3*        A  40  89.041  43.423 -90.330
  426   1H2*    A  40          1H2*        A  40  88.546  41.159 -89.876
  427   2HO*    A  40          2HO*        A  40  87.171  40.581 -88.142
  428    H1*    A  40           H1*        A  40  85.921  41.503 -89.953
  429    H8     A  40           H8         A  40  87.495  44.060 -92.212
  430   1H6     A  40          1H6         A  40  87.838  39.534 -96.428
  431   2H6     A  40          2H6         A  40  87.836  41.272 -96.197
  432    H2     A  40           H2         A  40  87.017  37.665 -92.440
  433   1H5*    A  41          1H5*        A  41  90.574  40.286 -86.816
  434   2H5*    A  41          2H5*        A  41  88.959  40.691 -87.472
  435    H4*    A  41           H4*        A  41  89.251  38.254 -87.286
  436    H3*    A  41           H3*        A  41  91.736  38.889 -88.814
  437   1H2*    A  41          1H2*        A  41  91.536  37.128 -90.262
  438   2HO*    A  41          2HO*        A  41  89.727  35.942 -88.407
  439    H1*    A  41           H1*        A  41  88.800  36.932 -90.400
  440    H8     A  41           H8         A  41  90.292  40.404 -90.892
  441   1H6     A  41          1H6         A  41  91.083  40.255 -95.642
  442   2H6     A  41          2H6         A  41  90.990  38.975 -96.831
  443    H2     A  41           H2         A  41  89.697  35.271 -94.650
  444   1H5*    C  42          1H5*        C  42  94.227  34.906 -87.309
  445   2H5*    C  42          2H5*        C  42  92.704  34.912 -88.247
  446    H4*    C  42           H4*        C  42  94.566  33.539 -89.253
  447    H3*    C  42           H3*        C  42  95.838  36.242 -89.233
  448   1H2*    C  42          1H2*        C  42  96.610  36.088 -91.365
  449   2HO*    C  42          2HO*        C  42  96.372  33.269 -91.169
  450    H1*    C  42           H1*        C  42  94.760  34.353 -92.432
  451   1H4     C  42          1H4         C  42  93.725  39.840 -95.410
  452   2H4     C  42          2H4         C  42  93.429  40.672 -93.900
  453    H5     C  42           H5         C  42  93.581  39.596 -91.753
  454    H6     C  42           H6         C  42  94.044  37.494 -90.581
  455   1H5*    C  43          1H5*        C  43  99.960  33.367 -90.068
  456   2H5*    C  43          2H5*        C  43  98.278  33.460 -90.669
  457    H4*    C  43           H4*        C  43  99.992  33.343 -92.492
  458    H3*    C  43           H3*        C  43 100.928  35.789 -91.051
  459   1H2*    C  43          1H2*        C  43 101.285  37.012 -92.944
  460   2HO*    C  43          2HO*        C  43 102.513  35.336 -93.989
  461    H1*    C  43           H1*        C  43  99.237  36.032 -94.529
  462   1H4     C  43          1H4         C  43  97.506  41.752 -92.311
  463   2H4     C  43          2H4         C  43  97.186  41.073 -90.732
  464    H5     C  43           H5         C  43  97.628  38.776 -90.170
  465    H6     C  43           H6         C  43  98.425  36.599 -91.027
  466   1H5*    A  44          1H5*        A  44 105.238  31.914 -91.587
  467   2H5*    A  44          2H5*        A  44 103.768  32.428 -92.469
  468    H4*    A  44           H4*        A  44 105.749  32.635 -93.896
  469    H3*    A  44           H3*        A  44 106.887  33.786 -91.466
  470   1H2*    A  44          1H2*        A  44 107.055  35.904 -92.102
  471   2HO*    A  44          2HO*        A  44 108.367  36.379 -93.940
  472    H1*    A  44           H1*        A  44 106.215  35.596 -94.917
  473    H8     A  44           H8         A  44 103.463  36.343 -92.583
  474   1H6     A  44          1H6         A  44 103.619  41.171 -92.501
  475   2H6     A  44          2H6         A  44 104.788  42.339 -93.074
  476    H2     A  44           H2         A  44 108.160  40.008 -94.919
  477    H3T    A  44           H3T        A  44 108.798  33.345 -92.666
   
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  62.445  39.514-112.350
    2   2H5*    G   1          2H5*        G   1  62.707  40.613-110.970
    3    H4*    G   1           H4*        G   1  63.384  37.967-111.002
    4    H3*    G   1           H3*        G   1  60.563  38.240-110.060
    5   1H2*    G   1          1H2*        G   1  60.888  36.962-108.155
    6   2HO*    G   1          2HO*        G   1  62.899  35.856-109.693
    7    H1*    G   1           H1*        G   1  63.359  37.825-107.492
    8    H8     G   1           H8         G   1  61.725  40.940-108.554
    9    H1     G   1           H1         G   1  60.301  39.336-102.556
   10   1H2     G   1          1H2         G   1  61.359  36.143-103.459
   11   2H2     G   1          2H2         G   1  60.717  37.191-102.208
   12    H5T    G   1           H5T        G   1  60.663  40.902-111.114
   13   1H5*    G   2          1H5*        G   2  58.113  34.400-110.253
   14   2H5*    G   2          2H5*        G   2  59.841  34.523-109.976
   15    H4*    G   2           H4*        G   2  59.048  34.286-107.829
   16    H3*    G   2           H3*        G   2  56.674  35.901-108.742
   17   1H2*    G   2          1H2*        G   2  56.307  36.596-106.566
   18   2HO*    G   2          2HO*        G   2  57.685  34.214-105.900
   19    H1*    G   2           H1*        G   2  58.972  36.448-105.698
   20    H8     G   2           H8         G   2  58.628  38.919-108.466
   21    H1     G   2           H1         G   2  56.593  41.108-102.840
   22   1H2     G   2          1H2         G   2  56.540  37.742-101.929
   23   2H2     G   2          2H2         G   2  56.251  39.402-101.457
   24   1H5*    G   3          1H5*        G   3  53.042  32.456-106.662
   25   2H5*    G   3          2H5*        G   3  54.783  32.450-106.406
   26    H4*    G   3           H4*        G   3  53.982  32.976-104.283
   27    H3*    G   3           H3*        G   3  51.816  34.334-105.817
   28   1H2*    G   3          1H2*        G   3  51.554  36.048-104.325
   29   2HO*    G   3          2HO*        G   3  52.417  35.768-102.109
   30    H1*    G   3           H1*        G   3  54.103  36.079-103.217
   31    H8     G   3           H8         G   3  54.171  36.635-106.933
   32    H1     G   3           H1         G   3  53.004  41.895-103.521
   33   1H2     G   3          1H2         G   3  52.242  39.661-100.958
   34   2H2     G   3          2H2         G   3  52.351  41.326-101.480
   35   1H5*    A   4          1H5*        A   4  47.896  32.884-102.160
   36   2H5*    A   4          2H5*        A   4  49.555  32.576-101.661
   37    H4*    A   4           H4*        A   4  48.829  33.839 -99.872
   38    H3*    A   4           H3*        A   4  46.947  35.042-101.867
   39   1H2*    A   4          1H2*        A   4  46.906  37.112-100.891
   40   2HO*    A   4          2HO*        A   4  47.883  37.354 -98.701
   41    H1*    A   4           H1*        A   4  49.490  37.286-100.030
   42    H8     A   4           H8         A   4  49.371  35.866-103.493
   43   1H6     A   4          1H6         A   4  49.566  41.678-105.504
   44   2H6     A   4          2H6         A   4  49.784  40.001-105.948
   45    H2     A   4           H2         A   4  48.620  41.747-101.112
   46   1H5*    G   5          1H5*        G   5  43.097  36.044 -98.590
   47   2H5*    G   5          2H5*        G   5  44.793  35.724 -98.253
   48    H4*    G   5           H4*        G   5  44.676  37.985 -97.810
   49    H3*    G   5           H3*        G   5  42.535  37.986 -99.900
   50   1H2*    G   5          1H2*        G   5  43.004  40.123-100.616
   51   2HO*    G   5          2HO*        G   5  43.875  40.426 -97.967
   52    H1*    G   5           H1*        G   5  45.739  40.205 -99.950
   53    H8     G   5           H8         G   5  45.132  37.343-102.254
   54    H1     G   5           H1         G   5  45.653  42.919-105.294
   55   1H2     G   5          1H2         G   5  45.369  44.608-103.885
   56   2H2     G   5          2H2         G   5  45.057  44.353-102.178
   57   1H5*    C   6          1H5*        C   6  38.812  40.397 -97.339
   58   2H5*    C   6          2H5*        C   6  40.109  41.609 -97.561
   59    H4*    C   6           H4*        C   6  38.296  42.675 -98.547
   60    H3*    C   6           H3*        C   6  37.435  39.898 -99.228
   61   1H2*    C   6          1H2*        C   6  36.470  40.460-101.213
   62   2HO*    C   6          2HO*        C   6  35.728  42.563-101.661
   63    H1*    C   6           H1*        C   6  38.061  42.663-101.901
   64   1H4     C   6          1H4         C   6  39.626  37.959-105.886
   65   2H4     C   6          2H4         C   6  40.408  37.081-104.590
   66    H5     C   6           H5         C   6  40.406  37.819-102.304
   67    H6     C   6           H6         C   6  39.655  39.563-100.754
   68   1H5*    U   7          1H5*        U   7  32.451  39.814 -98.615
   69   2H5*    U   7          2H5*        U   7  33.388  41.250 -99.127
   70    H4*    U   7           H4*        U   7  32.371  40.634-101.124
   71    H3*    U   7           H3*        U   7  32.526  37.885 -99.980
   72   1H2*    U   7          1H2*        U   7  32.916  36.833-101.966
   73   2HO*    U   7          2HO*        U   7  32.259  38.837-103.721
   74    H1*    U   7           H1*        U   7  34.111  38.948-103.386
   75    H3     U   7           H3         U   7  37.226  35.774-103.894
   76    H5     U   7           H5         U   7  37.149  36.369 -99.722
   77    H6     U   7           H6         U   7  35.291  37.894-100.036
   78   1H5*    C   8          1H5*        C   8  31.123  35.419-101.076
   79   2H5*    C   8          2H5*        C   8  29.657  34.809-100.253
   80    H4*    C   8           H4*        C   8  29.794  33.430-102.123
   81    H3*    C   8           H3*        C   8  30.911  35.858-103.467
   82   1H2*    C   8          1H2*        C   8  29.995  35.370-105.501
   83   2HO*    C   8          2HO*        C   8  30.180  32.743-104.576
   84    H1*    C   8           H1*        C   8  27.681  34.080-104.666
   85   1H4     C   8          1H4         C   8  25.684  39.706-106.726
   86   2H4     C   8          2H4         C   8  26.408  40.496-105.344
   87    H5     C   8           H5         C   8  27.733  39.319-103.710
   88    H6     C   8           H6         C   8  28.672  37.191-103.043
   89   1H5*    A   9          1H5*        A   9  32.908  33.460-106.903
   90   2H5*    A   9          2H5*        A   9  31.178  33.826-106.648
   91    H4*    A   9           H4*        A   9  32.062  34.313-108.966
   92    H3*    A   9           H3*        A   9  33.689  36.259-107.365
   93   1H2*    A   9          1H2*        A   9  33.391  37.949-108.880
   94   2HO*    A   9          2HO*        A   9  33.096  37.626-111.025
   95    H1*    A   9           H1*        A   9  30.867  37.212-109.851
   96    H8     A   9           H8         A   9  30.138  37.615-106.382
   97   1H6     A   9          1H6         A   9  31.322  43.650-106.645
   98   2H6     A   9          2H6         A   9  30.597  42.373-105.694
   99    H2     A   9           H2         A   9  32.948  41.733-110.372
  100   1H5*    A  10          1H5*        A  10  38.342  35.533-110.255
  101   2H5*    A  10          2H5*        A  10  36.728  35.086-110.887
  102    H4*    A  10           H4*        A  10  37.327  36.738-112.396
  103    H3*    A  10           H3*        A  10  38.933  37.851-110.131
  104   1H2*    A  10          1H2*        A  10  38.600  40.033-110.712
  105   2HO*    A  10          2HO*        A  10  39.083  40.322-112.754
  106    H1*    A  10           H1*        A  10  36.073  39.888-111.805
  107    H8     A  10           H8         A  10  36.015  38.176-108.483
  108   1H6     A  10          1H6         A  10  35.988  43.747-105.842
  109   2H6     A  10          2H6         A  10  35.748  42.035-105.570
  110    H2     A  10           H2         A  10  36.996  44.245-110.192
  111   1H5*    C  11          1H5*        C  11  42.827  39.915-113.092
  112   2H5*    C  11          2H5*        C  11  41.261  39.277-113.676
  113    H4*    C  11           H4*        C  11  40.903  41.557-113.883
  114    H3*    C  11           H3*        C  11  42.800  41.728-111.585
  115   1H2*    C  11          1H2*        C  11  41.827  43.535-110.636
  116   2HO*    C  11          2HO*        C  11  40.418  44.954-111.777
  117    H1*    C  11           H1*        C  11  39.190  43.158-111.477
  118   1H4     C  11          1H4         C  11  40.127  40.685-105.417
  119   2H4     C  11          2H4         C  11  39.409  42.265-105.191
  120    H5     C  11           H5         C  11  40.769  39.822-107.571
  121    H6     C  11           H6         C  11  40.883  40.307-109.975
  122   1H5*    U  12          1H5*        U  12  44.573  46.174-113.454
  123   2H5*    U  12          2H5*        U  12  43.211  46.865-114.379
  124    H4*    U  12           H4*        U  12  43.514  48.569-112.882
  125    H3*    U  12           H3*        U  12  44.626  46.469-111.040
  126   1H2*    U  12          1H2*        U  12  44.046  47.704-109.163
  127   2HO*    U  12          2HO*        U  12  43.527  50.058-110.594
  128    H1*    U  12           H1*        U  12  41.803  49.044-110.246
  129    H3     U  12           H3         U  12  39.555  47.172-106.906
  130    H5     U  12           H5         U  12  42.211  44.102-108.014
  131    H6     U  12           H6         U  12  42.964  45.506-109.860
  132   1H5*    C  13          1H5*        C  13  47.720  50.418-109.839
  133   2H5*    C  13          2H5*        C  13  46.146  49.858-110.391
  134    H4*    C  13           H4*        C  13  45.960  50.827-108.161
  135    H3*    C  13           H3*        C  13  48.226  48.954-107.611
  136   1H2*    C  13          1H2*        C  13  47.420  48.337-105.538
  137   2HO*    C  13          2HO*        C  13  45.891  50.713-105.711
  138    H1*    C  13           H1*        C  13  44.775  48.286-106.058
  139   1H4     C  13          1H4         C  13  46.272  42.184-106.777
  140   2H4     C  13          2H4         C  13  46.689  42.499-108.447
  141    H5     C  13           H5         C  13  46.910  44.718-109.354
  142    H6     C  13           H6         C  13  46.635  47.107-108.895
  143   1H5*    U  14          1H5*        U  14  50.099  50.961-103.409
  144   2H5*    U  14          2H5*        U  14  48.419  51.190-103.872
  145    H4*    U  14           H4*        U  14  48.146  49.877-102.012
  146    H3*    U  14           H3*        U  14  50.802  48.663-102.746
  147   1H2*    U  14          1H2*        U  14  50.257  46.699-101.653
  148   2HO*    U  14          2HO*        U  14  48.343  48.298-100.306
  149    H1*    U  14           H1*        U  14  47.552  46.671-102.230
  150    H3     U  14           H3         U  14  49.354  42.857-103.893
  151    H5     U  14           H5         U  14  50.144  45.804-106.796
  152    H6     U  14           H6         U  14  49.470  47.479-105.188
  153   1H5*    C  15          1H5*        C  15  52.029  48.867 -97.583
  154   2H5*    C  15          2H5*        C  15  50.652  49.102 -98.654
  155    H4*    C  15           H4*        C  15  50.435  46.927 -97.711
  156    H3*    C  15           H3*        C  15  53.352  46.714 -98.385
  157   1H2*    C  15          1H2*        C  15  53.170  44.482 -98.893
  158   2HO*    C  15          2HO*        C  15  51.264  43.272 -98.194
  159    H1*    C  15           H1*        C  15  50.557  44.470 -99.786
  160   1H4     C  15          1H4         C  15  53.739  43.276-105.065
  161   2H4     C  15          2H4         C  15  53.877  44.999-105.354
  162    H5     C  15           H5         C  15  53.372  46.663-103.681
  163    H6     C  15           H6         C  15  52.424  47.046-101.454
  164   1H5*    C  16          1H5*        C  16  54.952  43.743 -94.419
  165   2H5*    C  16          2H5*        C  16  53.272  43.968 -94.893
  166    H4*    C  16           H4*        C  16  53.656  41.764 -95.501
  167    H3*    C  16           H3*        C  16  56.423  42.729 -96.135
  168   1H2*    C  16          1H2*        C  16  56.702  41.167 -97.784
  169   2HO*    C  16          2HO*        C  16  54.658  39.722 -96.448
  170    H1*    C  16           H1*        C  16  54.079  40.905 -98.574
  171   1H4     C  16          1H4         C  16  56.753  45.081-102.836
  172   2H4     C  16          2H4         C  16  56.976  43.488-103.529
  173    H5     C  16           H5         C  16  55.983  45.440-100.567
  174    H6     C  16           H6         C  16  55.181  44.339 -98.521
  175   1H5*    C  17          1H5*        C  17  59.257  38.698 -93.985
  176   2H5*    C  17          2H5*        C  17  57.531  38.434 -94.183
  177    H4*    C  17           H4*        C  17  58.370  36.723 -95.479
  178    H3*    C  17           H3*        C  17  60.676  38.581 -95.902
  179   1H2*    C  17          1H2*        C  17  61.159  37.779 -98.000
  180   2HO*    C  17          2HO*        C  17  60.149  35.710 -98.686
  181    H1*    C  17           H1*        C  17  58.586  37.093 -98.808
  182   1H4     C  17          1H4         C  17  59.259  43.260-100.864
  183   2H4     C  17          2H4         C  17  59.826  42.266-102.187
  184    H5     C  17           H5         C  17  58.804  42.391 -98.663
  185    H6     C  17           H6         C  17  58.658  40.361 -97.298
  186   1H5*    C  18          1H5*        C  18  63.829  34.370 -95.622
  187   2H5*    C  18          2H5*        C  18  62.130  34.783 -95.823
  188    H4*    C  18           H4*        C  18  62.943  34.252 -97.983
  189    H3*    C  18           H3*        C  18  65.303  35.927 -97.180
  190   1H2*    C  18          1H2*        C  18  65.606  36.702 -99.334
  191   2HO*    C  18          2HO*        C  18  64.376  34.262-100.004
  192    H1*    C  18           H1*        C  18  62.923  36.524-100.183
  193   1H4     C  18          1H4         C  18  64.113  42.695-100.330
  194   2H4     C  18          2H4         C  18  63.534  42.824 -98.682
  195    H5     C  18           H5         C  18  63.142  40.904 -97.265
  196    H6     C  18           H6         C  18  63.067  38.453 -97.179
  197   1H5*    C  19          1H5*        C  19  68.535  33.121-100.240
  198   2H5*    C  19          2H5*        C  19  66.780  33.218-100.228
  199    H4*    C  19           H4*        C  19  67.273  34.209-102.256
  200    H3*    C  19           H3*        C  19  69.756  35.138-100.859
  201   1H2*    C  19          1H2*        C  19  69.912  37.048-102.129
  202   2HO*    C  19          2HO*        C  19  68.535  37.127-104.140
  203    H1*    C  19           H1*        C  19  67.203  37.383-102.698
  204   1H4     C  19          1H4         C  19  68.582  42.437 -99.233
  205   2H4     C  19          2H4         C  19  68.260  41.522 -97.772
  206    H5     C  19           H5         C  19  67.973  39.117 -97.754
  207    H6     C  19           H6         C  19  67.766  37.108 -99.150
  208   1H5*    C  20          1H5*        C  20  72.804  34.238-105.262
  209   2H5*    C  20          2H5*        C  20  71.047  34.237-105.241
  210    H4*    C  20           H4*        C  20  71.472  35.973-106.711
  211    H3*    C  20           H3*        C  20  73.953  36.303-105.089
  212   1H2*    C  20          1H2*        C  20  74.059  38.555-105.318
  213   2HO*    C  20          2HO*        C  20  72.650  38.071-107.720
  214    H1*    C  20           H1*        C  20  71.362  39.113-105.701
  215   1H4     C  20          1H4         C  20  72.414  41.835-100.177
  216   2H4     C  20          2H4         C  20  72.153  40.297 -99.375
  217    H5     C  20           H5         C  20  72.017  38.200-100.575
  218    H6     C  20           H6         C  20  71.917  37.142-102.793
  219   1H5*    C  21          1H5*        C  21  77.867  37.207-107.116
  220   2H5*    C  21          2H5*        C  21  77.491  38.687-106.190
  221    H4*    C  21           H4*        C  21  79.040  36.674-105.276
  222    H3*    C  21           H3*        C  21  76.198  36.048-104.559
  223   1H2*    C  21          1H2*        C  21  76.708  35.645-102.344
  224   2HO*    C  21          2HO*        C  21  78.999  35.176-101.812
  225    H1*    C  21           H1*        C  21  79.069  37.219-102.210
  226   1H4     C  21          1H4         C  21  75.410  40.106 -98.012
  227   2H4     C  21          2H4         C  21  74.420  40.790 -99.282
  228    H5     C  21           H5         C  21  74.722  40.266-101.598
  229    H6     C  21           H6         C  21  75.877  38.840-103.229
  230   1H5*    U  22          1H5*        U  22  80.973  35.979-105.917
  231   2H5*    U  22          2H5*        U  22  81.110  36.082-104.135
  232    H4*    U  22           H4*        U  22  82.911  34.619-104.067
  233    H3*    U  22           H3*        U  22  83.046  36.678-105.973
  234   1H2*    U  22          1H2*        U  22  82.979  35.481-107.891
  235   2HO*    U  22          2HO*        U  22  85.160  36.062-107.872
  236    H1*    U  22           H1*        U  22  84.172  32.981-106.810
  237    H3     U  22           H3         U  22  82.894  32.794-111.363
  238    H5     U  22           H5         U  22  79.676  31.516-108.961
  239    H6     U  22           H6         U  22  80.864  32.369-107.028
  240   1H5*    U  23          1H5*        U  23  86.305  35.214-106.574
  241   2H5*    U  23          2H5*        U  23  86.918  36.486-107.671
  242    H4*    U  23           H4*        U  23  88.583  34.790-107.641
  243    H3*    U  23           H3*        U  23  87.940  34.700-104.725
  244   1H2*    U  23          1H2*        U  23  90.087  34.310-104.062
  245   2HO*    U  23          2HO*        U  23  91.188  32.895-105.128
  246    H1*    U  23           H1*        U  23  91.430  35.767-105.931
  247    H3     U  23           H3         U  23  92.132  37.375-101.680
  248    H5     U  23           H5         U  23  88.776  39.417-103.212
  249    H6     U  23           H6         U  23  88.734  37.834-105.049
  250   1H5*    U  24          1H5*        U  24  89.148  30.502-103.950
  251   2H5*    U  24          2H5*        U  24  89.816  32.125-104.276
  252    H4*    U  24           H4*        U  24  90.406  30.669-102.077
  253    H3*    U  24           H3*        U  24  87.933  32.259-101.461
  254   1H2*    U  24          1H2*        U  24  88.766  32.888 -99.420
  255   2HO*    U  24          2HO*        U  24  89.429  31.184 -98.347
  256    H1*    U  24           H1*        U  24  91.462  32.902-100.092
  257    H3     U  24           H3         U  24  90.722  36.953 -98.313
  258    H5     U  24           H5         U  24  88.364  36.979-101.804
  259    H6     U  24           H6         U  24  89.006  34.678-102.180
  260   1H5*    U  25          1H5*        U  25  84.962  29.481 -98.361
  261   2H5*    U  25          2H5*        U  25  86.664  29.047 -98.397
  262    H4*    U  25           H4*        U  25  86.446  29.837 -96.243
  263    H3*    U  25           H3*        U  25  84.473  31.793 -97.396
  264   1H2*    U  25          1H2*        U  25  84.825  33.200 -95.567
  265   2HO*    U  25          2HO*        U  25  85.769  30.842 -94.354
  266    H1*    U  25           H1*        U  25  87.503  32.692 -95.302
  267    H3     U  25           H3         U  25  87.010  37.160 -96.058
  268    H5     U  25           H5         U  25  87.106  35.344 -99.861
  269    H6     U  25           H6         U  25  86.859  33.192 -98.771
  270   1H5*    C  26          1H5*        C  26  80.295  31.744 -94.619
  271   2H5*    C  26          2H5*        C  26  81.808  31.091 -94.003
  272    H4*    C  26           H4*        C  26  81.660  33.082 -92.832
  273    H3*    C  26           H3*        C  26  80.252  34.048 -95.287
  274   1H2*    C  26          1H2*        C  26  81.015  36.197 -95.084
  275   2HO*    C  26          2HO*        C  26  81.244  35.538 -92.355
  276    H1*    C  26           H1*        C  26  83.434  35.719 -93.852
  277   1H4     C  26          1H4         C  26  85.242  37.572 -99.581
  278   2H4     C  26          2H4         C  26  85.100  35.921-100.156
  279    H5     C  26           H5         C  26  83.999  34.167 -98.895
  280    H6     C  26           H6         C  26  82.992  33.584 -96.741
  281   1H5*    C  27          1H5*        C  27  77.039  37.357 -92.725
  282   2H5*    C  27          2H5*        C  27  78.480  36.573 -92.094
  283    H4*    C  27           H4*        C  27  79.185  38.765 -92.194
  284    H3*    C  27           H3*        C  27  77.358  38.974 -94.572
  285   1H2*    C  27          1H2*        C  27  78.637  40.626 -95.540
  286   2HO*    C  27          2HO*        C  27  79.394  41.135 -92.873
  287    H1*    C  27           H1*        C  27  81.126  39.855 -94.485
  288   1H4     C  27          1H4         C  27  81.672  38.869-100.677
  289   2H4     C  27          2H4         C  27  81.059  37.245-100.460
  290    H5     C  27           H5         C  27  80.039  36.482 -98.406
  291    H6     C  27           H6         C  27  79.518  37.077 -96.085
  292   1H5*    G  28          1H5*        G  28  75.532  43.852 -93.320
  293   2H5*    G  28          2H5*        G  28  76.956  43.122 -92.594
  294    H4*    G  28           H4*        G  28  77.894  44.942 -93.657
  295    H3*    G  28           H3*        G  28  75.669  44.571 -95.629
  296   1H2*    G  28          1H2*        G  28  76.889  45.403 -97.385
  297   2HO*    G  28          2HO*        G  28  78.945  46.571 -96.869
  298    H1*    G  28           H1*        G  28  79.427  44.598 -96.567
  299    H8     G  28           H8         G  28  77.050  41.689 -96.618
  300    H1     G  28           H1         G  28  79.432  43.090-102.368
  301   1H2     G  28          1H2         G  28  80.328  46.127-100.918
  302   2H2     G  28          2H2         G  28  80.313  45.120-102.348
  303   1H5*    A  29          1H5*        A  29  74.729  49.798 -96.385
  304   2H5*    A  29          2H5*        A  29  76.176  49.230 -95.566
  305    H4*    A  29           H4*        A  29  77.101  50.252 -97.422
  306    H3*    A  29           H3*        A  29  74.543  49.432 -98.747
  307   1H2*    A  29          1H2*        A  29  75.498  49.287-100.836
  308   2HO*    A  29          2HO*        A  29  77.719  50.156-101.126
  309    H1*    A  29           H1*        A  29  77.998  48.373-100.075
  310    H8     A  29           H8         A  29  75.273  46.359 -98.423
  311   1H6     A  29          1H6         A  29  75.463  42.753-103.427
  312   2H6     A  29          2H6         A  29  74.971  42.850-101.749
  313    H2     A  29           H2         A  29  77.564  46.610-104.383
  314   1H5*    G  30          1H5*        G  30  72.757  52.401-101.884
  315   2H5*    G  30          2H5*        G  30  74.492  52.418-101.607
  316    H4*    G  30           H4*        G  30  74.364  51.293-103.621
  317    H3*    G  30           H3*        G  30  71.754  50.271-102.556
  318   1H2*    G  30          1H2*        G  30  71.856  48.347-103.809
  319   2HO*    G  30          2HO*        G  30  73.574  48.192-105.487
  320    H1*    G  30           H1*        G  30  74.581  47.920-103.683
  321    H8     G  30           H8         G  30  73.176  48.692-100.260
  322    H1     G  30           H1         G  30  72.512  42.616-102.064
  323   1H2     G  30          1H2         G  30  73.138  43.868-105.257
  324   2H2     G  30          2H2         G  30  72.776  42.475-104.263
  325   1H5*    G  31          1H5*        G  31  69.354  50.531-107.108
  326   2H5*    G  31          2H5*        G  31  71.028  50.603-106.574
  327    H4*    G  31           H4*        G  31  70.836  48.436-107.375
  328    H3*    G  31           H3*        G  31  68.073  48.505-106.204
  329   1H2*    G  31          1H2*        G  31  68.105  46.212-105.841
  330   2HO*    G  31          2HO*        G  31  69.701  44.899-106.988
  331    H1*    G  31           H1*        G  31  70.899  45.936-105.547
  332    H8     G  31           H8         G  31  69.607  48.246-102.933
  333    H1     G  31           H1         G  31  68.663  42.076-101.588
  334   1H2     G  31          1H2         G  31  69.199  41.597-105.001
  335   2H2     G  31          2H2         G  31  68.837  40.874-103.450
  336   1H5*    G  32          1H5*        G  32  66.285  45.627-110.468
  337   2H5*    G  32          2H5*        G  32  67.960  45.907-110.021
  338    H4*    G  32           H4*        G  32  67.871  43.611-109.886
  339    H3*    G  32           H3*        G  32  64.999  44.078-109.212
  340   1H2*    G  32          1H2*        G  32  64.816  42.215-107.894
  341   2HO*    G  32          2HO*        G  32  66.638  40.593-108.036
  342    H1*    G  32           H1*        G  32  67.444  42.093-106.953
  343    H8     G  32           H8         G  32  65.902  45.476-106.354
  344    H1     G  32           H1         G  32  64.481  41.175-101.864
  345   1H2     G  32          1H2         G  32  65.571  38.835-104.200
  346   2H2     G  32          2H2         G  32  64.918  39.136-102.605
  347   1H5*    U  33          1H5*        U  33  65.417  42.403-114.288
  348   2H5*    U  33          2H5*        U  33  63.644  42.394-114.063
  349    H4*    U  33           H4*        U  33  64.239  43.439-116.183
  350    H3*    U  33           H3*        U  33  66.415  44.522-114.738
  351   1H2*    U  33          1H2*        U  33  65.469  46.463-114.003
  352   2HO*    U  33          2HO*        U  33  66.482  47.692-115.397
  353    H1*    U  33           H1*        U  33  63.424  46.641-116.163
  354    H3     U  33           H3         U  33  61.692  50.051-113.858
  355    H5     U  33           H5         U  33  62.256  47.119-110.891
  356    H6     U  33           H6         U  33  63.304  45.709-112.571
  357   1H5*    C  34          1H5*        C  34  67.857  41.338-116.131
  358   2H5*    C  34          2H5*        C  34  68.122  42.107-117.726
  359    H4*    C  34           H4*        C  34  70.130  40.906-117.069
  360    H3*    C  34           H3*        C  34  69.663  42.363-114.514
  361   1H2*    C  34          1H2*        C  34  71.860  42.906-114.163
  362   2HO*    C  34          2HO*        C  34  72.828  41.061-116.072
  363    H1*    C  34           H1*        C  34  72.732  42.987-116.846
  364   1H4     C  34          1H4         C  34  71.184  48.869-114.192
  365   2H4     C  34          2H4         C  34  72.791  49.017-114.868
  366    H5     C  34           H5         C  34  69.916  46.813-114.251
  367    H6     C  34           H6         C  34  69.857  44.517-115.060
  368   1H5*    A  35          1H5*        A  35  72.954  38.546-113.355
  369   2H5*    A  35          2H5*        A  35  72.209  39.783-114.410
  370    H4*    A  35           H4*        A  35  74.210  40.804-113.917
  371    H3*    A  35           H3*        A  35  74.419  38.940-111.832
  372   1H2*    A  35          1H2*        A  35  73.643  40.104-110.103
  373   2HO*    A  35          2HO*        A  35  75.696  41.968-110.151
  374    H1*    A  35           H1*        A  35  74.215  42.823-111.128
  375    H8     A  35           H8         A  35  70.873  42.274-111.670
  376   1H6     A  35          1H6         A  35  68.797  43.079-107.378
  377   2H6     A  35          2H6         A  35  69.407  43.048-105.739
  378    H2     A  35           H2         A  35  73.795  42.177-105.997
  379   1H5*    U  36          1H5*        U  36  79.652  41.178-112.318
  380   2H5*    U  36          2H5*        U  36  78.035  41.396-112.966
  381    H4*    U  36           H4*        U  36  78.490  43.478-112.083
  382    H3*    U  36           H3*        U  36  79.949  41.994-109.911
  383   1H2*    U  36          1H2*        U  36  79.583  43.721-108.427
  384   2HO*    U  36          2HO*        U  36  79.475  45.254-110.763
  385    H1*    U  36           H1*        U  36  77.127  44.551-109.422
  386    H3     U  36           H3         U  36  76.689  43.697-104.996
  387    H5     U  36           H5         U  36  76.018  40.053-107.006
  388    H6     U  36           H6         U  36  76.952  41.054-109.006
  389   1H5*    C  37          1H5*        C  37  84.084  45.034-109.827
  390   2H5*    C  37          2H5*        C  37  82.484  45.154-110.545
  391    H4*    C  37           H4*        C  37  82.358  46.412-108.568
  392    H3*    C  37           H3*        C  37  83.898  44.140-107.323
  393   1H2*    C  37          1H2*        C  37  82.887  44.535-105.281
  394   2HO*    C  37          2HO*        C  37  81.841  46.577-104.864
  395    H1*    C  37           H1*        C  37  80.476  45.586-106.270
  396   1H4     C  37          1H4         C  37  78.854  40.367-103.162
  397   2H4     C  37          2H4         C  37  78.967  39.461-104.660
  398    H5     C  37           H5         C  37  80.007  40.347-106.664
  399    H6     C  37           H6         C  37  80.956  42.352-107.711
  400   1H5*    G  38          1H5*        G  38  87.190  47.417-104.481
  401   2H5*    G  38          2H5*        G  38  85.744  47.943-105.332
  402    H4*    G  38           H4*        G  38  85.154  48.432-103.157
  403    H3*    G  38           H3*        G  38  86.946  46.131-102.475
  404   1H2*    G  38          1H2*        G  38  85.747  45.525-100.617
  405   2HO*    G  38          2HO*        G  38  84.164  47.075 -99.715
  406    H1*    G  38           H1*        G  38  83.212  46.370-101.440
  407    H8     G  38           H8         G  38  84.784  44.031-103.947
  408    H1     G  38           H1         G  38  81.982  41.049 -99.057
  409   1H2     G  38          1H2         G  38  82.161  44.150 -97.475
  410   2H2     G  38          2H2         G  38  81.693  42.469 -97.373
  411   1H5*    G  39          1H5*        G  39  88.306  48.122 -97.926
  412   2H5*    G  39          2H5*        G  39  87.068  48.494 -99.118
  413    H4*    G  39           H4*        G  39  85.827  47.351 -97.539
  414    H3*    G  39           H3*        G  39  88.389  45.936 -96.966
  415   1H2*    G  39          1H2*        G  39  87.354  43.878 -96.617
  416   2HO*    G  39          2HO*        G  39  85.165  43.864 -95.809
  417    H1*    G  39           H1*        G  39  84.858  44.427 -97.772
  418    H8     G  39           H8         G  39  87.427  44.019-100.456
  419    H1     G  39           H1         G  39  85.029  38.581 -98.143
  420   1H2     G  39          1H2         G  39  84.071  38.959 -96.184
  421   2H2     G  39          2H2         G  39  84.021  40.549 -95.460
  422   1H5*    A  40          1H5*        A  40  89.267  46.067 -92.297
  423   2H5*    A  40          2H5*        A  40  88.246  46.999 -91.205
  424    H4*    A  40           H4*        A  40  87.568  45.092 -90.209
  425    H3*    A  40           H3*        A  40  89.431  43.859 -92.264
  426   1H2*    A  40          1H2*        A  40  88.661  41.711 -91.681
  427   2HO*    A  40          2HO*        A  40  87.231  41.382 -89.948
  428    H1*    A  40           H1*        A  40  86.088  42.284 -91.861
  429    H8     A  40           H8         A  40  87.939  44.367 -94.341
  430   1H6     A  40          1H6         A  40  87.886  39.351 -97.974
  431   2H6     A  40          2H6         A  40  88.051  41.096 -97.950
  432    H2     A  40           H2         A  40  86.866  38.069 -93.796
  433   1H5*    A  41          1H5*        A  41  90.372  41.185 -87.724
  434   2H5*    A  41          2H5*        A  41  89.172  42.305 -88.443
  435    H4*    A  41           H4*        A  41  87.896  40.368 -88.137
  436    H3*    A  41           H3*        A  41  90.498  38.996 -88.597
  437   1H2*    A  41          1H2*        A  41  89.660  37.239 -89.777
  438   2HO*    A  41          2HO*        A  41  87.720  36.375 -89.399
  439    H1*    A  41           H1*        A  41  87.494  38.440 -90.984
  440    H8     A  41           H8         A  41  90.478  40.582 -91.562
  441   1H6     A  41          1H6         A  41  92.455  38.296 -95.317
  442   2H6     A  41          2H6         A  41  92.162  36.740 -96.062
  443    H2     A  41           H2         A  41  88.836  34.802 -93.734
  444   1H5*    C  42          1H5*        C  42  89.648  35.268 -86.404
  445   2H5*    C  42          2H5*        C  42  89.403  35.920 -88.049
  446    H4*    C  42           H4*        C  42  90.551  33.522 -87.549
  447    H3*    C  42           H3*        C  42  92.683  35.596 -87.297
  448   1H2*    C  42          1H2*        C  42  94.085  34.614 -88.789
  449   2HO*    C  42          2HO*        C  42  94.178  32.431 -89.128
  450    H1*    C  42           H1*        C  42  92.281  33.268 -90.368
  451   1H4     C  42          1H4         C  42  94.633  37.809 -94.104
  452   2H4     C  42          2H4         C  42  94.218  39.055 -92.949
  453    H5     C  42           H5         C  42  93.163  38.596 -90.837
  454    H6     C  42           H6         C  42  92.283  36.843 -89.363
  455   1H5*    C  43          1H5*        C  43  94.374  31.221 -85.722
  456   2H5*    C  43          2H5*        C  43  93.993  32.286 -87.107
  457    H4*    C  43           H4*        C  43  96.012  30.492 -87.138
  458    H3*    C  43           H3*        C  43  96.990  32.941 -85.738
  459   1H2*    C  43          1H2*        C  43  98.867  33.179 -86.994
  460   2HO*    C  43          2HO*        C  43  98.856  30.831 -88.410
  461    H1*    C  43           H1*        C  43  97.925  32.242 -89.430
  462   1H4     C  43          1H4         C  43  98.351  38.604 -89.540
  463   2H4     C  43          2H4         C  43  96.914  38.747 -88.551
  464    H5     C  43           H5         C  43  95.744  36.861 -87.645
  465    H6     C  43           H6         C  43  95.657  34.384 -87.528
  466   1H5*    A  44          1H5*        A  44  99.493  32.801 -82.987
  467   2H5*    A  44          2H5*        A  44  99.960  31.716 -81.642
  468    H4*    A  44           H4*        A  44 101.518  30.610 -83.425
  469    H3*    A  44           H3*        A  44 101.835  32.930 -81.683
  470   1H2*    A  44          1H2*        A  44 102.913  34.291 -83.061
  471   2HO*    A  44          2HO*        A  44 104.606  32.059 -83.059
  472    H1*    A  44           H1*        A  44 103.270  32.454 -85.342
  473    H8     A  44           H8         A  44 100.168  34.414 -85.529
  474   1H6     A  44          1H6         A  44 101.755  38.465 -87.629
  475   2H6     A  44          2H6         A  44 103.355  39.104 -87.935
  476    H2     A  44           H2         A  44 106.288  36.109 -86.314
  477    H3T    A  44           H3T        A  44 102.634  30.758 -81.355
   
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  64.026  36.894-112.452
    2   2H5*    G   1          2H5*        G   1  64.679  38.368-111.682
    3    H4*    G   1           H4*        G   1  64.237  36.220-110.232
    4    H3*    G   1           H3*        G   1  61.611  36.857-111.184
    5   1H2*    G   1          1H2*        G   1  60.962  38.274-109.585
    6   2HO*    G   1          2HO*        G   1  61.311  35.975-107.906
    7    H1*    G   1           H1*        G   1  62.937  37.385-107.549
    8    H8     G   1           H8         G   1  63.347  40.597-109.329
    9    H1     G   1           H1         G   1  60.129  41.222-103.878
   10   1H2     G   1          1H2         G   1  59.661  37.781-104.138
   11   2H2     G   1          2H2         G   1  59.353  39.248-103.236
   12    H5T    G   1           H5T        G   1  62.529  39.131-111.539
   13   1H5*    G   2          1H5*        G   2  58.868  32.693-108.769
   14   2H5*    G   2          2H5*        G   2  60.509  32.729-108.141
   15    H4*    G   2           H4*        G   2  59.298  32.606-106.179
   16    H3*    G   2           H3*        G   2  57.202  34.123-107.701
   17   1H2*    G   2          1H2*        G   2  56.408  35.182-105.825
   18   2HO*    G   2          2HO*        G   2  57.702  33.111-104.354
   19    H1*    G   2           H1*        G   2  58.764  35.413-104.399
   20    H8     G   2           H8         G   2  59.149  36.614-107.912
   21    H1     G   2           H1         G   2  56.466  40.942-104.102
   22   1H2     G   2          1H2         G   2  56.002  38.274-101.913
   23   2H2     G   2          2H2         G   2  55.784  39.982-102.225
   24   1H5*    G   3          1H5*        G   3  53.307  31.400-105.270
   25   2H5*    G   3          2H5*        G   3  55.012  31.635-104.901
   26    H4*    G   3           H4*        G   3  53.884  32.812-103.199
   27    H3*    G   3           H3*        G   3  52.015  33.542-105.415
   28   1H2*    G   3          1H2*        G   3  51.650  35.669-104.652
   29   2HO*    G   3          2HO*        G   3  52.397  34.618-102.123
   30    H1*    G   3           H1*        G   3  54.049  36.097-103.320
   31    H8     G   3           H8         G   3  54.545  35.223-106.948
   32    H1     G   3           H1         G   3  53.260  41.377-105.897
   33   1H2     G   3          1H2         G   3  52.148  40.282-102.786
   34   2H2     G   3          2H2         G   3  52.384  41.629-103.878
   35   1H5*    A   4          1H5*        A   4  48.127  33.422-101.387
   36   2H5*    A   4          2H5*        A   4  49.877  33.390-101.227
   37    H4*    A   4           H4*        A   4  49.231  35.192 -99.872
   38    H3*    A   4           H3*        A   4  47.171  35.668-102.000
   39   1H2*    A   4          1H2*        A   4  47.240  37.959-101.784
   40   2HO*    A   4          2HO*        A   4  48.404  37.427 -99.246
   41    H1*    A   4           H1*        A   4  49.902  38.294-101.257
   42    H8     A   4           H8         A   4  49.425  35.862-104.067
   43   1H6     A   4          1H6         A   4  49.578  40.740-107.820
   44   2H6     A   4          2H6         A   4  49.742  39.000-107.724
   45    H2     A   4           H2         A   4  48.967  42.219-103.621
   46   1H5*    G   5          1H5*        G   5  43.923  38.002 -98.738
   47   2H5*    G   5          2H5*        G   5  45.655  37.707 -98.688
   48    H4*    G   5           H4*        G   5  45.516  40.020 -98.974
   49    H3*    G   5           H3*        G   5  43.155  39.361-100.698
   50   1H2*    G   5          1H2*        G   5  43.522  41.136-102.120
   51   2HO*    G   5          2HO*        G   5  44.799  42.253 -99.864
   52    H1*    G   5           H1*        G   5  46.315  41.313-101.852
   53    H8     G   5           H8         G   5  45.328  37.866-102.915
   54    H1     G   5           H1         G   5  45.729  41.966-107.780
   55   1H2     G   5          1H2         G   5  45.671  44.056-107.045
   56   2H2     G   5          2H2         G   5  45.545  44.442-105.340
   57   1H5*    C   6          1H5*        C   6  40.327  42.752 -98.129
   58   2H5*    C   6          2H5*        C   6  41.538  43.250 -99.349
   59    H4*    C   6           H4*        C   6  39.411  44.462 -99.654
   60    H3*    C   6           H3*        C   6  38.343  41.669 -99.611
   61   1H2*    C   6          1H2*        C   6  36.923  41.960-101.372
   62   2HO*    C   6          2HO*        C   6  37.185  44.776-101.011
   63    H1*    C   6           H1*        C   6  38.375  43.780-102.870
   64   1H4     C   6          1H4         C   6  38.968  38.148-105.759
   65   2H4     C   6          2H4         C   6  40.057  37.586-104.512
   66    H5     C   6           H5         C   6  40.607  38.882-102.556
   67    H6     C   6           H6         C   6  40.210  40.989-101.366
   68   1H5*    U   7          1H5*        U   7  33.737  42.691 -98.263
   69   2H5*    U   7          2H5*        U   7  34.954  43.374 -99.381
   70    H4*    U   7           H4*        U   7  33.189  42.384-100.696
   71    H3*    U   7           H3*        U   7  33.535  40.122 -98.772
   72   1H2*    U   7          1H2*        U   7  33.333  38.487-100.362
   73   2HO*    U   7          2HO*        U   7  31.323  39.345-101.135
   74    H1*    U   7           H1*        U   7  34.284  39.915-102.597
   75    H3     U   7           H3         U   7  37.011  36.365-102.688
   76    H5     U   7           H5         U   7  38.008  38.240 -99.049
   77    H6     U   7           H6         U   7  36.182  39.786 -99.415
   78   1H5*    C   8          1H5*        C   8  30.784  37.545 -97.857
   79   2H5*    C   8          2H5*        C   8  29.020  37.767 -97.646
   80    H4*    C   8           H4*        C   8  29.515  35.774 -98.995
   81    H3*    C   8           H3*        C   8  31.455  37.511-100.190
   82   1H2*    C   8          1H2*        C   8  30.416  38.143-102.056
   83   2HO*    C   8          2HO*        C   8  30.141  35.346-102.547
   84    H1*    C   8           H1*        C   8  28.157  36.274-102.049
   85   1H4     C   8          1H4         C   8  25.669  41.513-104.536
   86   2H4     C   8          2H4         C   8  26.502  42.516-103.371
   87    H5     C   8           H5         C   8  27.977  41.612-101.684
   88    H6     C   8           H6         C   8  28.981  39.607-100.759
   89   1H5*    A   9          1H5*        A   9  33.073  33.414-103.274
   90   2H5*    A   9          2H5*        A   9  31.296  33.597-103.213
   91    H4*    A   9           H4*        A   9  32.228  33.282-105.525
   92    H3*    A   9           H3*        A   9  33.646  35.792-104.723
   93   1H2*    A   9          1H2*        A   9  33.295  36.821-106.732
   94   2HO*    A   9          2HO*        A   9  32.860  35.652-108.645
   95    H1*    A   9           H1*        A   9  30.870  35.624-107.436
   96    H8     A   9           H8         A   9  29.990  37.052-104.282
   97   1H6     A   9          1H6         A   9  30.628  42.757-106.520
   98   2H6     A   9          2H6         A   9  29.984  41.796-105.208
   99    H2     A   9           H2         A   9  32.572  39.903-109.400
  100   1H5*    A  10          1H5*        A  10  37.624  33.744-108.054
  101   2H5*    A  10          2H5*        A  10  35.877  33.399-107.876
  102    H4*    A  10           H4*        A  10  36.063  33.957-110.137
  103    H3*    A  10           H3*        A  10  38.186  35.857-109.215
  104   1H2*    A  10          1H2*        A  10  37.661  37.459-110.774
  105   2HO*    A  10          2HO*        A  10  37.645  35.928-112.539
  106    H1*    A  10           H1*        A  10  34.941  37.138-110.902
  107    H8     A  10           H8         A  10  35.833  37.256-107.286
  108   1H6     A  10          1H6         A  10  36.629  43.334-107.838
  109   2H6     A  10          2H6         A  10  36.449  42.009-106.711
  110    H2     A  10           H2         A  10  36.355  41.573-111.960
  111   1H5*    C  11          1H5*        C  11  40.926  35.825-113.527
  112   2H5*    C  11          2H5*        C  11  39.156  35.665-113.327
  113    H4*    C  11           H4*        C  11  39.594  37.709-114.530
  114    H3*    C  11           H3*        C  11  41.669  38.088-112.404
  115   1H2*    C  11          1H2*        C  11  41.271  40.334-112.177
  116   2HO*    C  11          2HO*        C  11  40.241  41.555-113.807
  117    H1*    C  11           H1*        C  11  38.574  40.399-112.725
  118   1H4     C  11          1H4         C  11  39.765  39.571-106.253
  119   2H4     C  11          2H4         C  11  39.174  41.206-106.452
  120    H5     C  11           H5         C  11  40.140  38.070-108.098
  121    H6     C  11           H6         C  11  40.057  37.819-110.532
  122   1H5*    U  12          1H5*        U  12  43.801  41.383-116.037
  123   2H5*    U  12          2H5*        U  12  42.047  41.100-115.828
  124    H4*    U  12           H4*        U  12  42.565  43.503-115.916
  125    H3*    U  12           H3*        U  12  44.476  42.727-113.749
  126   1H2*    U  12          1H2*        U  12  44.026  44.570-112.459
  127   2HO*    U  12          2HO*        U  12  43.084  46.464-113.349
  128    H1*    U  12           H1*        U  12  41.345  44.966-113.167
  129    H3     U  12           H3         U  12  40.526  44.148-108.856
  130    H5     U  12           H5         U  12  43.008  40.918-109.940
  131    H6     U  12           H6         U  12  43.157  41.869-112.171
  132   1H5*    C  13          1H5*        C  13  47.451  46.847-114.804
  133   2H5*    C  13          2H5*        C  13  45.770  46.379-115.025
  134    H4*    C  13           H4*        C  13  45.860  48.091-113.331
  135    H3*    C  13           H3*        C  13  48.100  46.395-112.291
  136   1H2*    C  13          1H2*        C  13  47.525  46.745-110.070
  137   2HO*    C  13          2HO*        C  13  45.958  48.344-109.488
  138    H1*    C  13           H1*        C  13  44.864  46.582-110.268
  139   1H4     C  13          1H4         C  13  46.118  40.548-108.952
  140   2H4     C  13          2H4         C  13  46.354  40.236-110.658
  141    H5     C  13           H5         C  13  46.556  41.983-112.302
  142    H6     C  13           H6         C  13  46.406  44.396-112.691
  143   1H5*    U  14          1H5*        U  14  50.345  50.011-109.560
  144   2H5*    U  14          2H5*        U  14  48.667  49.897-110.073
  145    H4*    U  14           H4*        U  14  48.496  49.580-107.784
  146    H3*    U  14           H3*        U  14  51.123  48.128-108.034
  147   1H2*    U  14          1H2*        U  14  50.617  46.787-106.217
  148   2HO*    U  14          2HO*        U  14  48.834  47.356-104.799
  149    H1*    U  14           H1*        U  14  47.874  46.611-106.607
  150    H3     U  14           H3         U  14  49.458  42.372-106.611
  151    H5     U  14           H5         U  14  50.126  43.813-110.512
  152    H6     U  14           H6         U  14  49.640  46.040-109.700
  153   1H5*    C  15          1H5*        C  15  52.016  50.104-103.236
  154   2H5*    C  15          2H5*        C  15  50.731  49.887-104.419
  155    H4*    C  15           H4*        C  15  50.338  48.321-102.663
  156    H3*    C  15           H3*        C  15  53.277  47.740-102.959
  157   1H2*    C  15          1H2*        C  15  52.952  45.520-102.433
  158   2HO*    C  15          2HO*        C  15  50.935  44.819-101.459
  159    H1*    C  15           H1*        C  15  50.441  45.211-103.518
  160   1H4     C  15          1H4         C  15  54.114  41.892-107.404
  161   2H4     C  15          2H4         C  15  54.378  43.333-108.364
  162    H5     C  15           H5         C  15  53.800  45.552-107.595
  163    H6     C  15           H6         C  15  52.606  46.830-105.888
  164   1H5*    C  16          1H5*        C  16  53.782  46.971 -97.748
  165   2H5*    C  16          2H5*        C  16  52.413  47.079 -98.846
  166    H4*    C  16           H4*        C  16  52.515  44.814 -98.195
  167    H3*    C  16           H3*        C  16  55.484  45.120 -98.599
  168   1H2*    C  16          1H2*        C  16  55.663  42.905 -99.221
  169   2HO*    C  16          2HO*        C  16  54.046  41.371 -98.740
  170    H1*    C  16           H1*        C  16  53.213  42.631-100.440
  171   1H4     C  16          1H4         C  16  56.952  44.166-105.522
  172   2H4     C  16          2H4         C  16  57.109  42.431-105.352
  173    H5     C  16           H5         C  16  55.925  45.567-103.857
  174    H6     C  16           H6         C  16  54.774  45.598-101.689
  175   1H5*    C  17          1H5*        C  17  56.185  41.171 -95.515
  176   2H5*    C  17          2H5*        C  17  54.849  41.872 -96.415
  177    H4*    C  17           H4*        C  17  55.332  39.889 -97.565
  178    H3*    C  17           H3*        C  17  58.218  40.630 -97.138
  179   1H2*    C  17          1H2*        C  17  58.821  39.472 -99.054
  180   2HO*    C  17          2HO*        C  17  57.189  38.027-100.046
  181    H1*    C  17           H1*        C  17  56.439  39.939-100.468
  182   1H4     C  17          1H4         C  17  60.431  44.606-102.678
  183   2H4     C  17          2H4         C  17  60.723  43.223-103.712
  184    H5     C  17           H5         C  17  59.111  44.494-100.658
  185    H6     C  17           H6         C  17  57.788  43.035 -99.213
  186   1H5*    C  18          1H5*        C  18  60.465  36.444 -96.150
  187   2H5*    C  18          2H5*        C  18  58.905  36.811 -96.876
  188    H4*    C  18           H4*        C  18  60.340  36.513 -98.705
  189    H3*    C  18           H3*        C  18  62.348  38.016 -97.041
  190   1H2*    C  18          1H2*        C  18  63.320  38.946 -98.929
  191   2HO*    C  18          2HO*        C  18  63.038  37.977-100.999
  192    H1*    C  18           H1*        C  18  61.032  38.916-100.579
  193   1H4     C  18          1H4         C  18  62.266  45.034-100.013
  194   2H4     C  18          2H4         C  18  61.192  45.102 -98.630
  195    H5     C  18           H5         C  18  60.380  43.134 -97.494
  196    H6     C  18           H6         C  18  60.252  40.678 -97.567
  197   1H5*    C  19          1H5*        C  19  65.708  34.811 -99.889
  198   2H5*    C  19          2H5*        C  19  64.020  35.270-100.052
  199    H4*    C  19           H4*        C  19  64.905  36.013-102.064
  200    H3*    C  19           H3*        C  19  67.373  36.551-100.443
  201   1H2*    C  19          1H2*        C  19  68.006  38.317-101.767
  202   2HO*    C  19          2HO*        C  19  66.997  38.577-103.904
  203    H1*    C  19           H1*        C  19  65.477  39.153-102.580
  204   1H4     C  19          1H4         C  19  67.442  43.914 -98.979
  205   2H4     C  19          2H4         C  19  66.806  43.101 -97.564
  206    H5     C  19           H5         C  19  66.092  40.786 -97.578
  207    H6     C  19           H6         C  19  65.650  38.832 -98.993
  208   1H5*    C  20          1H5*        C  20  70.563  34.762-104.458
  209   2H5*    C  20          2H5*        C  20  68.889  35.247-104.679
  210    H4*    C  20           H4*        C  20  70.095  36.589-106.192
  211    H3*    C  20           H3*        C  20  72.111  36.684-103.991
  212   1H2*    C  20          1H2*        C  20  72.761  38.814-104.405
  213   2HO*    C  20          2HO*        C  20  72.038  39.846-106.461
  214    H1*    C  20           H1*        C  20  70.390  39.882-105.225
  215   1H4     C  20          1H4         C  20  70.857  42.006 -99.332
  216   2H4     C  20          2H4         C  20  70.114  40.530 -98.755
  217    H5     C  20           H5         C  20  69.805  38.586-100.151
  218    H6     C  20           H6         C  20  69.915  37.723-102.450
  219   1H5*    C  21          1H5*        C  21  75.738  36.805-106.826
  220   2H5*    C  21          2H5*        C  21  74.502  37.915-106.166
  221    H4*    C  21           H4*        C  21  76.836  38.781-105.984
  222    H3*    C  21           H3*        C  21  77.128  36.231-104.450
  223   1H2*    C  21          1H2*        C  21  78.364  37.203-102.774
  224   2HO*    C  21          2HO*        C  21  79.899  38.098-104.227
  225    H1*    C  21           H1*        C  21  77.331  39.827-102.968
  226   1H4     C  21          1H4         C  21  75.861  37.121 -97.351
  227   2H4     C  21          2H4         C  21  74.193  37.256 -97.864
  228    H5     C  21           H5         C  21  73.554  37.886-100.084
  229    H6     C  21           H6         C  21  74.337  38.525-102.325
  230   1H5*    U  22          1H5*        U  22  81.589  36.152-107.312
  231   2H5*    U  22          2H5*        U  22  81.758  37.735-106.492
  232    H4*    U  22           H4*        U  22  83.533  36.815-105.068
  233    H3*    U  22           H3*        U  22  83.732  37.338-107.830
  234   1H2*    U  22          1H2*        U  22  84.106  35.248-108.618
  235   2HO*    U  22          2HO*        U  22  86.326  34.638-108.450
  236    H1*    U  22           H1*        U  22  85.321  34.155-106.137
  237    H3     U  22           H3         U  22  84.870  31.047-109.691
  238    H5     U  22           H5         U  22  81.481  30.856-107.193
  239    H6     U  22           H6         U  22  82.217  32.913-106.146
  240   1H5*    U  23          1H5*        U  23  87.345  35.906-107.829
  241   2H5*    U  23          2H5*        U  23  88.497  36.834-108.837
  242    H4*    U  23           H4*        U  23  89.616  35.028-107.543
  243    H3*    U  23           H3*        U  23  88.237  36.441-105.316
  244   1H2*    U  23          1H2*        U  23  90.013  36.482-103.920
  245   2HO*    U  23          2HO*        U  23  90.315  34.192-104.064
  246    H1*    U  23           H1*        U  23  92.095  36.427-105.755
  247    H3     U  23           H3         U  23  93.111  40.182-103.517
  248    H5     U  23           H5         U  23  89.328  41.037-105.169
  249    H6     U  23           H6         U  23  89.254  38.758-106.006
  250   1H5*    U  24          1H5*        U  24  87.756  31.179-103.935
  251   2H5*    U  24          2H5*        U  24  89.056  32.198-104.618
  252    H4*    U  24           H4*        U  24  89.788  30.636-102.789
  253    H3*    U  24           H3*        U  24  87.803  32.320-101.309
  254   1H2*    U  24          1H2*        U  24  89.101  32.425 -99.426
  255   2HO*    U  24          2HO*        U  24  90.660  30.275-100.466
  256    H1*    U  24           H1*        U  24  91.577  32.477-100.647
  257    H3     U  24           H3         U  24  90.783  36.192 -98.061
  258    H5     U  24           H5         U  24  89.009  36.996-101.795
  259    H6     U  24           H6         U  24  89.480  34.690-102.444
  260   1H5*    U  25          1H5*        U  25  85.222  28.893 -98.626
  261   2H5*    U  25          2H5*        U  25  86.941  28.869 -98.995
  262    H4*    U  25           H4*        U  25  86.664  29.284 -96.644
  263    H3*    U  25           H3*        U  25  84.793  31.461 -97.569
  264   1H2*    U  25          1H2*        U  25  85.361  32.722 -95.675
  265   2HO*    U  25          2HO*        U  25  86.440  30.275 -94.717
  266    H1*    U  25           H1*        U  25  88.012  32.135 -95.688
  267    H3     U  25           H3         U  25  87.566  36.577 -96.494
  268    H5     U  25           H5         U  25  87.215  34.709-100.255
  269    H6     U  25           H6         U  25  87.090  32.575 -99.115
  270   1H5*    C  26          1H5*        C  26  81.161  30.843 -94.049
  271   2H5*    C  26          2H5*        C  26  82.871  30.440 -94.108
  272    H4*    C  26           H4*        C  26  82.692  32.292 -92.650
  273    H3*    C  26           H3*        C  26  80.827  33.366 -94.746
  274   1H2*    C  26          1H2*        C  26  81.461  35.545 -94.285
  275   2HO*    C  26          2HO*        C  26  82.173  34.475 -91.764
  276    H1*    C  26           H1*        C  26  84.067  35.004 -93.423
  277   1H4     C  26          1H4         C  26  85.076  38.344 -98.645
  278   2H4     C  26          2H4         C  26  85.047  36.866 -99.584
  279    H5     C  26           H5         C  26  84.283  34.751 -98.696
  280    H6     C  26           H6         C  26  83.555  33.568 -96.679
  281   1H5*    C  27          1H5*        C  27  77.471  35.988 -92.592
  282   2H5*    C  27          2H5*        C  27  77.401  35.998 -90.815
  283    H4*    C  27           H4*        C  27  78.887  37.786 -90.658
  284    H3*    C  27           H3*        C  27  77.169  38.042 -93.116
  285   1H2*    C  27          1H2*        C  27  78.237  39.952 -93.802
  286   2HO*    C  27          2HO*        C  27  78.654  40.270 -91.061
  287    H1*    C  27           H1*        C  27  80.770  39.391 -92.711
  288   1H4     C  27          1H4         C  27  81.702  39.144 -98.928
  289   2H4     C  27          2H4         C  27  81.425  37.416 -98.869
  290    H5     C  27           H5         C  27  80.433  36.305 -96.967
  291    H6     C  27           H6         C  27  79.783  36.563 -94.614
  292   1H5*    G  28          1H5*        G  28  74.502  42.306 -91.244
  293   2H5*    G  28          2H5*        G  28  76.037  41.661 -90.683
  294    H4*    G  28           H4*        G  28  76.569  43.807 -91.463
  295    H3*    G  28           H3*        G  28  74.582  43.189 -93.626
  296   1H2*    G  28          1H2*        G  28  75.745  44.384 -95.221
  297   2HO*    G  28          2HO*        G  28  77.541  45.805 -94.470
  298    H1*    G  28           H1*        G  28  78.316  43.908 -94.351
  299    H8     G  28           H8         G  28  76.359  40.690 -94.545
  300    H1     G  28           H1         G  28  78.816  42.520-100.134
  301   1H2     G  28          1H2         G  28  79.234  45.614 -98.593
  302   2H2     G  28          2H2         G  28  79.422  44.648-100.040
  303   1H5*    A  29          1H5*        A  29  73.867  48.471 -93.586
  304   2H5*    A  29          2H5*        A  29  75.031  47.279 -93.023
  305    H4*    A  29           H4*        A  29  76.129  48.581 -94.687
  306    H3*    A  29           H3*        A  29  73.605  48.127 -96.274
  307   1H2*    A  29          1H2*        A  29  74.821  48.206 -98.260
  308   2HO*    A  29          2HO*        A  29  76.833  49.442 -96.671
  309    H1*    A  29           H1*        A  29  77.104  46.960 -97.309
  310    H8     A  29           H8         A  29  74.101  44.916 -96.366
  311   1H6     A  29          1H6         A  29  74.655  42.244-101.898
  312   2H6     A  29          2H6         A  29  73.966  42.092-100.296
  313    H2     A  29           H2         A  29  77.104  46.013-101.906
  314   1H5*    G  30          1H5*        G  30  73.046  52.195 -98.969
  315   2H5*    G  30          2H5*        G  30  74.546  51.540 -98.329
  316    H4*    G  30           H4*        G  30  74.582  51.161-100.679
  317    H3*    G  30           H3*        G  30  71.744  50.269-100.241
  318   1H2*    G  30          1H2*        G  30  71.900  48.685-101.948
  319   2HO*    G  30          2HO*        G  30  74.283  50.069-102.676
  320    H1*    G  30           H1*        G  30  74.386  47.761-101.399
  321    H8     G  30           H8         G  30  72.462  48.379 -98.167
  322    H1     G  30           H1         G  30  71.289  42.766-100.923
  323   1H2     G  30          1H2         G  30  72.751  44.202-103.735
  324   2H2     G  30          2H2         G  30  71.980  42.801-103.027
  325   1H5*    G  31          1H5*        G  31  70.478  52.279-104.993
  326   2H5*    G  31          2H5*        G  31  71.940  51.823-104.122
  327    H4*    G  31           H4*        G  31  71.580  50.182-105.827
  328    H3*    G  31           H3*        G  31  68.757  50.294-104.824
  329   1H2*    G  31          1H2*        G  31  68.419  48.023-105.165
  330   2HO*    G  31          2HO*        G  31  70.017  46.810-106.435
  331    H1*    G  31           H1*        G  31  70.954  47.128-104.517
  332    H8     G  31           H8         G  31  69.712  49.555-101.904
  333    H1     G  31           H1         G  31  67.653  43.596-100.977
  334   1H2     G  31          1H2         G  31  68.532  43.062-104.286
  335   2H2     G  31          2H2         G  31  67.855  42.413-102.814
  336   1H5*    G  32          1H5*        G  32  68.025  47.830-109.093
  337   2H5*    G  32          2H5*        G  32  69.137  48.289-107.806
  338    H4*    G  32           H4*        G  32  68.798  46.002-107.476
  339    H3*    G  32           H3*        G  32  65.909  46.569-108.110
  340   1H2*    G  32          1H2*        G  32  65.214  44.878-106.674
  341   2HO*    G  32          2HO*        G  32  66.677  43.194-106.064
  342    H1*    G  32           H1*        G  32  67.434  44.953-104.929
  343    H8     G  32           H8         G  32  65.693  48.247-104.811
  344    H1     G  32           H1         G  32  62.954  43.739-101.246
  345   1H2     G  32          1H2         G  32  64.743  41.523-103.248
  346   2H2     G  32          2H2         G  32  63.614  41.735-101.930
  347   1H5*    U  33          1H5*        U  33  67.667  44.336-112.378
  348   2H5*    U  33          2H5*        U  33  66.484  43.019-112.110
  349    H4*    U  33           H4*        U  33  66.424  43.690-114.443
  350    H3*    U  33           H3*        U  33  66.981  46.256-113.483
  351   1H2*    U  33          1H2*        U  33  64.898  46.973-112.951
  352   2HO*    U  33          2HO*        U  33  64.645  46.986-115.797
  353    H1*    U  33           H1*        U  33  63.441  45.321-114.956
  354    H3     U  33           H3         U  33  60.670  47.958-112.147
  355    H5     U  33           H5         U  33  61.202  44.144-110.430
  356    H6     U  33           H6         U  33  62.974  43.740-112.039
  357   1H5*    C  34          1H5*        C  34  69.206  44.172-116.050
  358   2H5*    C  34          2H5*        C  34  70.045  45.432-117.005
  359    H4*    C  34           H4*        C  34  71.745  44.080-115.979
  360    H3*    C  34           H3*        C  34  69.961  44.297-113.582
  361   1H2*    C  34          1H2*        C  34  71.652  44.578-112.089
  362   2HO*    C  34          2HO*        C  34  73.484  43.638-114.068
  363    H1*    C  34           H1*        C  34  73.424  46.040-113.588
  364   1H4     C  34          1H4         C  34  68.704  49.086-110.030
  365   2H4     C  34          2H4         C  34  70.240  49.574-109.350
  366    H5     C  34           H5         C  34  68.522  47.675-112.018
  367    H6     C  34           H6         C  34  69.749  46.324-113.604
  368   1H5*    A  35          1H5*        A  35  73.119  39.965-113.036
  369   2H5*    A  35          2H5*        A  35  72.680  41.511-113.816
  370    H4*    A  35           H4*        A  35  74.505  42.170-112.623
  371    H3*    A  35           H3*        A  35  74.211  39.773-111.178
  372   1H2*    A  35          1H2*        A  35  73.147  40.526-109.334
  373   2HO*    A  35          2HO*        A  35  74.615  41.507-107.816
  374    H1*    A  35           H1*        A  35  74.085  43.339-109.491
  375    H8     A  35           H8         A  35  70.719  42.870-110.645
  376   1H6     A  35          1H6         A  35  68.239  43.723-106.600
  377   2H6     A  35          2H6         A  35  68.667  43.676-104.907
  378    H2     A  35           H2         A  35  73.032  42.627-104.683
  379   1H5*    U  36          1H5*        U  36  79.497  41.739-110.549
  380   2H5*    U  36          2H5*        U  36  77.926  42.190-111.185
  381    H4*    U  36           H4*        U  36  78.565  44.045-109.943
  382    H3*    U  36           H3*        U  36  79.639  42.059-107.953
  383   1H2*    U  36          1H2*        U  36  79.313  43.569-106.236
  384   2HO*    U  36          2HO*        U  36  79.030  45.816-106.648
  385    H1*    U  36           H1*        U  36  77.070  44.852-107.294
  386    H3     U  36           H3         U  36  76.118  43.405-103.094
  387    H5     U  36           H5         U  36  75.330  40.187-105.689
  388    H6     U  36           H6         U  36  76.483  41.379-107.438
  389   1H5*    C  37          1H5*        C  37  83.498  45.558-107.438
  390   2H5*    C  37          2H5*        C  37  81.895  45.305-108.121
  391    H4*    C  37           H4*        C  37  81.658  46.615-106.132
  392    H3*    C  37           H3*        C  37  83.335  44.455-104.848
  393   1H2*    C  37          1H2*        C  37  82.218  44.800-102.849
  394   2HO*    C  37          2HO*        C  37  80.974  46.742-102.511
  395    H1*    C  37           H1*        C  37  79.766  45.590-103.961
  396   1H4     C  37          1H4         C  37  78.782  40.211-100.817
  397   2H4     C  37          2H4         C  37  79.000  39.326-102.312
  398    H5     C  37           H5         C  37  79.898  40.327-104.318
  399    H6     C  37           H6         C  37  80.544  42.433-105.383
  400   1H5*    G  38          1H5*        G  38  86.166  48.233-102.080
  401   2H5*    G  38          2H5*        G  38  84.648  48.430-102.947
  402    H4*    G  38           H4*        G  38  84.126  49.025-100.737
  403    H3*    G  38           H3*        G  38  85.977  46.775-100.024
  404   1H2*    G  38          1H2*        G  38  84.784  46.195 -98.138
  405   2HO*    G  38          2HO*        G  38  83.065  47.673 -97.379
  406    H1*    G  38           H1*        G  38  82.248  46.715 -99.060
  407    H8     G  38           H8         G  38  84.253  44.764-101.604
  408    H1     G  38           H1         G  38  81.595  41.128 -97.095
  409   1H2     G  38          1H2         G  38  81.223  44.110 -95.339
  410   2H2     G  38          2H2         G  38  80.995  42.377 -95.367
  411   1H5*    G  39          1H5*        G  39  87.796  48.600 -95.696
  412   2H5*    G  39          2H5*        G  39  86.290  48.906 -96.547
  413    H4*    G  39           H4*        G  39  85.725  47.659 -94.610
  414    H3*    G  39           H3*        G  39  87.998  45.843 -95.417
  415   1H2*    G  39          1H2*        G  39  86.926  44.082 -94.332
  416   2HO*    G  39          2HO*        G  39  85.067  44.491 -92.989
  417    H1*    G  39           H1*        G  39  84.362  44.787 -95.070
  418    H8     G  39           H8         G  39  86.541  44.922 -98.109
  419    H1     G  39           H1         G  39  84.831  38.977 -96.543
  420   1H2     G  39          1H2         G  39  84.105  38.918 -94.451
  421   2H2     G  39          2H2         G  39  84.029  40.348 -93.444
  422   1H5*    A  40          1H5*        A  40  90.455  45.297 -90.777
  423   2H5*    A  40          2H5*        A  40  88.792  45.834 -90.963
  424    H4*    A  40           H4*        A  40  88.522  43.791 -89.896
  425    H3*    A  40           H3*        A  40  90.930  42.972 -91.486
  426   1H2*    A  40          1H2*        A  40  90.234  40.794 -91.657
  427   2HO*    A  40          2HO*        A  40  88.567  39.978 -90.195
  428    H1*    A  40           H1*        A  40  87.484  41.200 -91.549
  429    H8     A  40           H8         A  40  89.056  43.125 -94.376
  430   1H6     A  40          1H6         A  40  88.113  38.066 -97.758
  431   2H6     A  40          2H6         A  40  88.390  39.793 -97.808
  432    H2     A  40           H2         A  40  87.762  36.927 -93.420
  433   1H5*    A  41          1H5*        A  41  91.337  39.756 -87.168
  434   2H5*    A  41          2H5*        A  41  89.943  40.598 -87.907
  435    H4*    A  41           H4*        A  41  89.372  38.266 -87.627
  436    H3*    A  41           H3*        A  41  92.074  37.832 -88.840
  437   1H2*    A  41          1H2*        A  41  91.404  36.063 -90.142
  438   2HO*    A  41          2HO*        A  41  89.074  35.866 -88.510
  439    H1*    A  41           H1*        A  41  88.838  36.848 -90.718
  440    H8     A  41           H8         A  41  91.695  39.379 -91.032
  441   1H6     A  41          1H6         A  41  92.904  38.559 -95.637
  442   2H6     A  41          2H6         A  41  92.401  37.360 -96.807
  443    H2     A  41           H2         A  41  89.370  34.746 -94.766
  444   1H5*    C  42          1H5*        C  42  92.890  33.473 -86.785
  445   2H5*    C  42          2H5*        C  42  91.605  33.815 -87.980
  446    H4*    C  42           H4*        C  42  93.095  31.857 -88.543
  447    H3*    C  42           H3*        C  42  95.106  34.067 -88.484
  448   1H2*    C  42          1H2*        C  42  96.104  33.439 -90.426
  449   2HO*    C  42          2HO*        C  42  96.028  31.303 -91.207
  450    H1*    C  42           H1*        C  42  93.998  32.190 -91.682
  451   1H4     C  42          1H4         C  42  95.258  37.352 -95.132
  452   2H4     C  42          2H4         C  42  94.928  38.404 -93.774
  453    H5     C  42           H5         C  42  94.320  37.590 -91.593
  454    H6     C  42           H6         C  42  93.913  35.586 -90.236
  455   1H5*    C  43          1H5*        C  43  98.390  30.155 -88.345
  456   2H5*    C  43          2H5*        C  43  96.896  30.530 -89.254
  457    H4*    C  43           H4*        C  43  98.791  29.816 -90.714
  458    H3*    C  43           H3*        C  43 100.064  32.146 -89.338
  459   1H2*    C  43          1H2*        C  43 101.016  32.991 -91.233
  460   2HO*    C  43          2HO*        C  43 100.567  30.468 -92.488
  461    H1*    C  43           H1*        C  43  99.075  32.281 -93.084
  462   1H4     C  43          1H4         C  43  98.554  38.517 -91.882
  463   2H4     C  43          2H4         C  43  97.862  38.187 -90.309
  464    H5     C  43           H5         C  43  97.623  35.967 -89.411
  465    H6     C  43           H6         C  43  97.924  33.559 -89.866
  466   1H5*    A  44          1H5*        A  44 103.515  27.539 -88.716
  467   2H5*    A  44          2H5*        A  44 102.386  28.206 -89.935
  468    H4*    A  44           H4*        A  44 104.643  27.933 -90.868
  469    H3*    A  44           H3*        A  44 105.400  29.166 -88.332
  470   1H2*    A  44          1H2*        A  44 106.055  31.154 -89.071
  471   2HO*    A  44          2HO*        A  44 108.056  30.103 -89.504
  472    H1*    A  44           H1*        A  44 105.813  30.654 -91.972
  473    H8     A  44           H8         A  44 102.851  32.069 -90.208
  474   1H6     A  44          1H6         A  44 103.727  36.795 -90.731
  475   2H6     A  44          2H6         A  44 105.124  37.696 -91.276
  476    H2     A  44           H2         A  44 108.300  34.687 -92.300
  477    H3T    A  44           H3T        A  44 106.893  28.043 -90.490
   
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  63.448  38.842-114.632
    2   2H5*    G   1          2H5*        G   1  64.193  40.068-113.568
    3    H4*    G   1           H4*        G   1  63.733  37.622-112.681
    4    H3*    G   1           H3*        G   1  61.087  38.645-113.180
    5   1H2*    G   1          1H2*        G   1  60.623  39.500-111.178
    6   2HO*    G   1          2HO*        G   1  61.127  36.842-110.228
    7    H1*    G   1           H1*        G   1  62.760  38.118-109.671
    8    H8     G   1           H8         G   1  63.078  41.657-110.694
    9    H1     G   1           H1         G   1  60.386  41.038-104.965
   10   1H2     G   1          1H2         G   1  59.837  37.737-105.923
   11   2H2     G   1          2H2         G   1  59.636  38.970-104.696
   12    H5T    G   1           H5T        G   1  62.111  40.848-113.127
   13   1H5*    G   2          1H5*        G   2  58.369  33.999-111.711
   14   2H5*    G   2          2H5*        G   2  60.080  33.883-111.323
   15    H4*    G   2           H4*        G   2  59.137  33.245-109.308
   16    H3*    G   2           H3*        G   2  56.890  35.058-110.121
   17   1H2*    G   2          1H2*        G   2  56.380  35.672-107.973
   18   2HO*    G   2          2HO*        G   2  57.799  33.328-107.195
   19    H1*    G   2           H1*        G   2  58.891  35.647-106.856
   20    H8     G   2           H8         G   2  58.861  37.428-110.138
   21    H1     G   2           H1         G   2  56.907  41.092-105.321
   22   1H2     G   2          1H2         G   2  56.595  38.103-103.569
   23   2H2     G   2          2H2         G   2  56.423  39.845-103.561
   24   1H5*    G   3          1H5*        G   3  53.445  31.934-107.561
   25   2H5*    G   3          2H5*        G   3  55.195  32.131-107.527
   26    H4*    G   3           H4*        G   3  54.465  33.007-105.458
   27    H3*    G   3           H3*        G   3  52.200  34.059-107.099
   28   1H2*    G   3          1H2*        G   3  52.050  36.043-105.973
   29   2HO*    G   3          2HO*        G   3  53.252  34.616-103.837
   30    H1*    G   3           H1*        G   3  54.686  36.293-105.124
   31    H8     G   3           H8         G   3  54.400  35.918-108.858
   32    H1     G   3           H1         G   3  53.558  41.880-106.773
   33   1H2     G   3          1H2         G   3  53.048  40.386-103.669
   34   2H2     G   3          2H2         G   3  53.108  41.866-104.602
   35   1H5*    A   4          1H5*        A   4  49.250  33.157-102.389
   36   2H5*    A   4          2H5*        A   4  50.990  33.116-102.632
   37    H4*    A   4           H4*        A   4  50.695  34.604-100.833
   38    H3*    A   4           H3*        A   4  48.269  35.485-102.357
   39   1H2*    A   4          1H2*        A   4  48.470  37.694-101.729
   40   2HO*    A   4          2HO*        A   4  50.108  36.674 -99.642
   41    H1*    A   4           H1*        A   4  51.188  37.931-101.741
   42    H8     A   4           H8         A   4  50.053  36.020-104.758
   43   1H6     A   4          1H6         A   4  49.584  41.469-107.578
   44   2H6     A   4          2H6         A   4  49.705  39.741-107.814
   45    H2     A   4           H2         A   4  49.912  42.207-103.158
   46   1H5*    G   5          1H5*        G   5  45.639  36.928 -98.174
   47   2H5*    G   5          2H5*        G   5  47.343  36.647 -98.513
   48    H4*    G   5           H4*        G   5  47.143  38.992 -98.391
   49    H3*    G   5           H3*        G   5  44.552  38.510 -99.804
   50   1H2*    G   5          1H2*        G   5  44.682  40.423-101.066
   51   2HO*    G   5          2HO*        G   5  46.063  42.177-100.429
   52    H1*    G   5           H1*        G   5  47.477  40.649-101.225
   53    H8     G   5           H8         G   5  46.407  37.283-102.443
   54    H1     G   5           H1         G   5  45.980  41.811-106.906
   55   1H2     G   5          1H2         G   5  45.957  43.824-105.979
   56   2H2     G   5          2H2         G   5  46.065  44.051-104.244
   57   1H5*    C   6          1H5*        C   6  42.186  41.880 -97.174
   58   2H5*    C   6          2H5*        C   6  43.252  42.133 -98.589
   59    H4*    C   6           H4*        C   6  41.149  43.412 -98.797
   60    H3*    C   6           H3*        C   6  39.992  40.707 -98.260
   61   1H2*    C   6          1H2*        C   6  38.376  40.850 -99.867
   62   2HO*    C   6          2HO*        C   6  37.627  42.925 -99.160
   63    H1*    C   6           H1*        C   6  39.711  42.356-101.762
   64   1H4     C   6          1H4         C   6  39.802  36.351-103.852
   65   2H4     C   6          2H4         C   6  40.998  35.917-102.651
   66    H5     C   6           H5         C   6  41.789  37.443-100.962
   67    H6     C   6           H6         C   6  41.597  39.715-100.059
   68   1H5*    U   7          1H5*        U   7  35.660  42.292 -96.269
   69   2H5*    U   7          2H5*        U   7  36.720  42.807 -97.615
   70    H4*    U   7           H4*        U   7  34.716  41.907 -98.581
   71    H3*    U   7           H3*        U   7  35.121  39.757 -96.540
   72   1H2*    U   7          1H2*        U   7  34.504  38.054 -97.943
   73   2HO*    U   7          2HO*        U   7  32.516  39.259 -98.487
   74    H1*    U   7           H1*        U   7  35.255  39.209-100.400
   75    H3     U   7           H3         U   7  37.539  35.358-100.566
   76    H5     U   7           H5         U   7  39.290  37.370 -97.304
   77    H6     U   7           H6         U   7  37.597  39.088 -97.534
   78   1H5*    C   8          1H5*        C   8  32.123  37.575 -95.371
   79   2H5*    C   8          2H5*        C   8  30.475  37.975 -94.796
   80    H4*    C   8           H4*        C   8  30.374  36.132 -96.381
   81    H3*    C   8           H3*        C   8  32.371  37.682 -97.768
   82   1H2*    C   8          1H2*        C   8  31.183  38.520 -99.451
   83   2HO*    C   8          2HO*        C   8  31.688  36.495-100.454
   84    H1*    C   8           H1*        C   8  28.663  37.073 -99.089
   85   1H4     C   8          1H4         C   8  26.822  42.812-100.975
   86   2H4     C   8          2H4         C   8  28.021  43.578 -99.958
   87    H5     C   8           H5         C   8  29.559  42.325 -98.580
   88    H6     C   8           H6         C   8  30.304  40.120 -97.893
   89   1H5*    A   9          1H5*        A   9  33.081  33.629-101.250
   90   2H5*    A   9          2H5*        A   9  31.342  33.899-100.936
   91    H4*    A   9           H4*        A   9  31.896  33.690-103.361
   92    H3*    A   9           H3*        A   9  33.659  36.001-102.648
   93   1H2*    A   9          1H2*        A   9  33.132  37.194-104.524
   94   2HO*    A   9          2HO*        A   9  33.594  35.442-105.965
   95    H1*    A   9           H1*        A   9  30.516  36.320-104.907
   96    H8     A   9           H8         A   9  30.251  37.528-101.563
   97   1H6     A   9          1H6         A   9  31.264  43.320-103.399
   98   2H6     A   9          2H6         A   9  30.692  42.310-102.089
   99    H2     A   9           H2         A   9  32.449  40.565-106.751
  100   1H5*    A  10          1H5*        A  10  36.827  33.958-106.705
  101   2H5*    A  10          2H5*        A  10  35.096  33.791-106.282
  102    H4*    A  10           H4*        A  10  35.015  34.608-108.467
  103    H3*    A  10           H3*        A  10  37.482  36.125-107.707
  104   1H2*    A  10          1H2*        A  10  36.947  37.952-108.995
  105   2HO*    A  10          2HO*        A  10  35.416  37.835-110.690
  106    H1*    A  10           H1*        A  10  34.215  37.952-108.718
  107    H8     A  10           H8         A  10  35.636  37.558-105.298
  108   1H6     A  10          1H6         A  10  37.116  43.532-105.381
  109   2H6     A  10          2H6         A  10  36.934  42.117-104.372
  110    H2     A  10           H2         A  10  36.018  42.298-109.557
  111   1H5*    C  11          1H5*        C  11  39.462  36.306-112.388
  112   2H5*    C  11          2H5*        C  11  37.750  36.362-111.873
  113    H4*    C  11           H4*        C  11  38.317  38.460-112.941
  114    H3*    C  11           H3*        C  11  40.704  38.303-111.139
  115   1H2*    C  11          1H2*        C  11  40.672  40.538-110.623
  116   2HO*    C  11          2HO*        C  11  39.599  42.070-111.943
  117    H1*    C  11           H1*        C  11  37.958  41.012-110.748
  118   1H4     C  11          1H4         C  11  39.893  39.313-104.638
  119   2H4     C  11          2H4         C  11  39.497  41.016-104.589
  120    H5     C  11           H5         C  11  39.818  37.999-106.654
  121    H6     C  11           H6         C  11  39.374  38.036-109.061
  122   1H5*    U  12          1H5*        U  12  42.770  41.727-114.789
  123   2H5*    U  12          2H5*        U  12  41.035  41.492-114.427
  124    H4*    U  12           H4*        U  12  41.599  43.866-114.358
  125    H3*    U  12           H3*        U  12  43.777  42.881-112.558
  126   1H2*    U  12          1H2*        U  12  43.572  44.623-111.079
  127   2HO*    U  12          2HO*        U  12  42.176  46.043-113.118
  128    H1*    U  12           H1*        U  12  40.832  45.117-111.346
  129    H3     U  12           H3         U  12  40.649  43.953-107.042
  130    H5     U  12           H5         U  12  42.861  40.795-108.745
  131    H6     U  12           H6         U  12  42.690  41.920-110.890
  132   1H5*    C  13          1H5*        C  13  46.534  47.169-113.646
  133   2H5*    C  13          2H5*        C  13  44.840  46.695-113.677
  134    H4*    C  13           H4*        C  13  45.115  48.316-111.923
  135    H3*    C  13           H3*        C  13  47.516  46.645-111.279
  136   1H2*    C  13          1H2*        C  13  47.235  46.863-108.980
  137   2HO*    C  13          2HO*        C  13  45.729  48.377-108.106
  138    H1*    C  13           H1*        C  13  44.598  46.591-108.823
  139   1H4     C  13          1H4         C  13  46.248  40.534-108.211
  140   2H4     C  13          2H4         C  13  46.270  40.374-109.953
  141    H5     C  13           H5         C  13  46.182  42.257-111.449
  142    H6     C  13           H6         C  13  45.905  44.686-111.601
  143   1H5*    U  14          1H5*        U  14  50.283  50.387-109.061
  144   2H5*    U  14          2H5*        U  14  48.531  50.321-109.225
  145    H4*    U  14           H4*        U  14  48.850  50.115-106.926
  146    H3*    U  14           H3*        U  14  51.289  48.530-107.684
  147   1H2*    U  14          1H2*        U  14  51.097  47.145-105.838
  148   2HO*    U  14          2HO*        U  14  49.673  47.720-104.077
  149    H1*    U  14           H1*        U  14  48.357  47.009-105.670
  150    H3     U  14           H3         U  14  49.765  42.779-106.395
  151    H5     U  14           H5         U  14  49.668  44.567-110.207
  152    H6     U  14           H6         U  14  49.430  46.714-109.124
  153   1H5*    C  15          1H5*        C  15  53.185  50.209-103.072
  154   2H5*    C  15          2H5*        C  15  51.684  50.137-103.987
  155    H4*    C  15           H4*        C  15  51.533  48.478-102.282
  156    H3*    C  15           H3*        C  15  54.340  47.837-103.133
  157   1H2*    C  15          1H2*        C  15  54.045  45.579-102.760
  158   2HO*    C  15          2HO*        C  15  52.236  44.812-101.499
  159    H1*    C  15           H1*        C  15  51.383  45.384-103.409
  160   1H4     C  15          1H4         C  15  54.118  42.567-108.320
  161   2H4     C  15          2H4         C  15  54.234  44.116-109.126
  162    H5     C  15           H5         C  15  53.897  46.222-107.989
  163    H6     C  15           H6         C  15  53.107  47.278-105.933
  164   1H5*    C  16          1H5*        C  16  55.406  46.347 -98.259
  165   2H5*    C  16          2H5*        C  16  53.998  46.711 -99.250
  166    H4*    C  16           H4*        C  16  54.133  44.333 -99.039
  167    H3*    C  16           H3*        C  16  57.021  44.776 -99.739
  168   1H2*    C  16          1H2*        C  16  57.098  42.811-100.929
  169   2HO*    C  16          2HO*        C  16  54.971  42.035 -99.242
  170    H1*    C  16           H1*        C  16  54.440  42.667-101.699
  171   1H4     C  16          1H4         C  16  57.580  45.004-106.907
  172   2H4     C  16          2H4         C  16  57.623  43.262-107.081
  173    H5     C  16           H5         C  16  56.855  46.111-104.883
  174    H6     C  16           H6         C  16  56.021  45.757-102.591
  175   1H5*    C  17          1H5*        C  17  57.660  40.336 -96.567
  176   2H5*    C  17          2H5*        C  17  56.261  41.118 -97.294
  177    H4*    C  17           H4*        C  17  56.275  38.886 -98.117
  178    H3*    C  17           H3*        C  17  59.207  39.382 -98.389
  179   1H2*    C  17          1H2*        C  17  59.417  38.154-100.329
  180   2HO*    C  17          2HO*        C  17  56.857  37.066 -99.668
  181    H1*    C  17           H1*        C  17  57.023  38.816-101.504
  182   1H4     C  17          1H4         C  17  60.815  43.896-103.162
  183   2H4     C  17          2H4         C  17  60.965  42.750-104.475
  184    H5     C  17           H5         C  17  59.691  43.394-101.096
  185    H6     C  17           H6         C  17  58.509  41.665 -99.815
  186   1H5*    C  18          1H5*        C  18  61.482  35.381 -97.303
  187   2H5*    C  18          2H5*        C  18  59.880  35.748 -97.931
  188    H4*    C  18           H4*        C  18  61.238  35.559 -99.840
  189    H3*    C  18           H3*        C  18  63.266  37.055 -98.197
  190   1H2*    C  18          1H2*        C  18  64.117  38.124-100.065
  191   2HO*    C  18          2HO*        C  18  63.791  37.261-102.172
  192    H1*    C  18           H1*        C  18  61.765  38.099-101.619
  193   1H4     C  18          1H4         C  18  62.737  44.220-100.751
  194   2H4     C  18          2H4         C  18  61.747  44.158 -99.308
  195    H5     C  18           H5         C  18  61.112  42.086 -98.232
  196    H6     C  18           H6         C  18  61.090  39.637 -98.451
  197   1H5*    C  19          1H5*        C  19  66.581  34.026-101.256
  198   2H5*    C  19          2H5*        C  19  64.891  34.512-101.275
  199    H4*    C  19           H4*        C  19  65.724  35.358-103.291
  200    H3*    C  19           H3*        C  19  68.193  35.942-101.684
  201   1H2*    C  19          1H2*        C  19  68.694  37.811-102.926
  202   2HO*    C  19          2HO*        C  19  67.670  38.116-105.031
  203    H1*    C  19           H1*        C  19  66.101  38.519-103.662
  204   1H4     C  19          1H4         C  19  67.863  43.284 -99.969
  205   2H4     C  19          2H4         C  19  67.282  42.404 -98.569
  206    H5     C  19           H5         C  19  66.687  40.056 -98.634
  207    H6     C  19           H6         C  19  66.340  38.113-100.094
  208   1H5*    C  20          1H5*        C  20  71.406  34.508-105.832
  209   2H5*    C  20          2H5*        C  20  69.700  34.901-105.984
  210    H4*    C  20           H4*        C  20  70.779  36.403-107.446
  211    H3*    C  20           H3*        C  20  72.843  36.477-105.293
  212   1H2*    C  20          1H2*        C  20  73.356  38.666-105.565
  213   2HO*    C  20          2HO*        C  20  72.579  39.794-107.532
  214    H1*    C  20           H1*        C  20  70.907  39.635-106.305
  215   1H4     C  20          1H4         C  20  71.311  41.550-100.343
  216   2H4     C  20          2H4         C  20  70.664  40.010 -99.819
  217    H5     C  20           H5         C  20  70.470  38.102-101.286
  218    H6     C  20           H6         C  20  70.615  37.336-103.615
  219   1H5*    C  21          1H5*        C  21  76.432  36.918-108.281
  220   2H5*    C  21          2H5*        C  21  75.129  37.925-107.584
  221    H4*    C  21           H4*        C  21  77.358  38.985-107.388
  222    H3*    C  21           H3*        C  21  77.957  36.389-106.026
  223   1H2*    C  21          1H2*        C  21  79.159  37.372-104.336
  224   2HO*    C  21          2HO*        C  21  80.533  38.505-105.796
  225    H1*    C  21           H1*        C  21  77.875  39.885-104.320
  226   1H4     C  21          1H4         C  21  76.902  36.630 -98.878
  227   2H4     C  21          2H4         C  21  75.209  36.648 -99.318
  228    H5     C  21           H5         C  21  74.419  37.386-101.458
  229    H6     C  21           H6         C  21  75.045  38.285-103.655
  230   1H5*    U  22          1H5*        U  22  82.619  38.317-108.121
  231   2H5*    U  22          2H5*        U  22  82.577  39.720-107.011
  232    H4*    U  22           H4*        U  22  83.995  38.523-105.414
  233    H3*    U  22           H3*        U  22  84.799  39.476-107.944
  234   1H2*    U  22          1H2*        U  22  85.358  37.522-108.955
  235   2HO*    U  22          2HO*        U  22  87.488  36.859-108.434
  236    H1*    U  22           H1*        U  22  86.003  36.032-106.461
  237    H3     U  22           H3         U  22  86.568  32.848-109.671
  238    H5     U  22           H5         U  22  82.446  33.717-109.723
  239    H6     U  22           H6         U  22  82.879  35.558-108.212
  240   1H5*    U  23          1H5*        U  23  88.380  38.027-107.535
  241   2H5*    U  23          2H5*        U  23  89.499  39.241-108.224
  242    H4*    U  23           H4*        U  23  90.677  37.267-107.249
  243    H3*    U  23           H3*        U  23  89.092  38.121-104.882
  244   1H2*    U  23          1H2*        U  23  90.797  38.009-103.402
  245   2HO*    U  23          2HO*        U  23  92.141  36.261-105.196
  246    H1*    U  23           H1*        U  23  92.958  38.439-105.090
  247    H3     U  23           H3         U  23  93.683  41.828-102.258
  248    H5     U  23           H5         U  23  89.787  42.595-103.680
  249    H6     U  23           H6         U  23  89.908  40.516-104.931
  250   1H5*    U  24          1H5*        U  24  89.044  32.675-104.571
  251   2H5*    U  24          2H5*        U  24  90.257  33.939-104.923
  252    H4*    U  24           H4*        U  24  91.027  32.106-103.364
  253    H3*    U  24           H3*        U  24  88.791  33.295-101.779
  254   1H2*    U  24          1H2*        U  24  89.940  33.213 -99.803
  255   2HO*    U  24          2HO*        U  24  91.784  31.862 -99.532
  256    H1*    U  24           H1*        U  24  92.494  33.633-100.801
  257    H3     U  24           H3         U  24  91.382  36.800 -97.682
  258    H5     U  24           H5         U  24  89.647  38.109-101.291
  259    H6     U  24           H6         U  24  90.292  35.981-102.298
  260   1H5*    U  25          1H5*        U  25  85.904  29.467-100.367
  261   2H5*    U  25          2H5*        U  25  87.660  29.446-100.291
  262    H4*    U  25           H4*        U  25  86.831  29.579 -98.053
  263    H3*    U  25           H3*        U  25  85.137  31.832 -99.123
  264   1H2*    U  25          1H2*        U  25  85.243  32.891 -97.044
  265   2HO*    U  25          2HO*        U  25  86.000  31.775 -95.180
  266    H1*    U  25           H1*        U  25  87.794  32.205 -96.419
  267    H3     U  25           H3         U  25  87.414  36.732 -96.537
  268    H5     U  25           H5         U  25  88.228  35.553-100.499
  269    H6     U  25           H6         U  25  87.856  33.254 -99.826
  270   1H5*    C  26          1H5*        C  26  80.862  30.320 -96.427
  271   2H5*    C  26          2H5*        C  26  82.587  29.993 -96.289
  272    H4*    C  26           H4*        C  26  82.013  31.459 -94.494
  273    H3*    C  26           H3*        C  26  80.471  32.860 -96.636
  274   1H2*    C  26          1H2*        C  26  80.946  34.959 -95.843
  275   2HO*    C  26          2HO*        C  26  81.314  33.626 -93.374
  276    H1*    C  26           H1*        C  26  83.418  34.439 -94.660
  277   1H4     C  26          1H4         C  26  85.141  38.048 -99.510
  278   2H4     C  26          2H4         C  26  85.220  36.628-100.530
  279    H5     C  26           H5         C  26  84.323  34.482 -99.880
  280    H6     C  26           H6         C  26  83.332  33.193 -98.047
  281   1H5*    C  27          1H5*        C  27  77.008  35.375 -94.344
  282   2H5*    C  27          2H5*        C  27  76.873  35.117 -92.588
  283    H4*    C  27           H4*        C  27  78.393  36.818 -92.111
  284    H3*    C  27           H3*        C  27  76.777  37.474 -94.560
  285   1H2*    C  27          1H2*        C  27  77.930  39.403 -94.977
  286   2HO*    C  27          2HO*        C  27  78.220  39.397 -92.217
  287    H1*    C  27           H1*        C  27  80.412  38.633 -93.915
  288   1H4     C  27          1H4         C  27  81.533  38.971-100.091
  289   2H4     C  27          2H4         C  27  81.160  37.265-100.222
  290    H5     C  27           H5         C  27  80.047  36.023 -98.475
  291    H6     C  27           H6         C  27  79.314  36.080 -96.134
  292   1H5*    G  28          1H5*        G  28  74.185  41.623 -92.385
  293   2H5*    G  28          2H5*        G  28  75.667  40.914 -91.759
  294    H4*    G  28           H4*        G  28  76.301  43.099 -92.307
  295    H3*    G  28           H3*        G  28  74.405  42.745 -94.603
  296   1H2*    G  28          1H2*        G  28  75.655  44.030 -96.044
  297   2HO*    G  28          2HO*        G  28  77.436  45.351 -95.147
  298    H1*    G  28           H1*        G  28  78.177  43.396 -95.157
  299    H8     G  28           H8         G  28  76.087  40.287 -95.591
  300    H1     G  28           H1         G  28  78.804  42.309-100.984
  301   1H2     G  28          1H2         G  28  79.290  45.299 -99.266
  302   2H2     G  28          2H2         G  28  79.488  44.405-100.756
  303   1H5*    A  29          1H5*        A  29  73.793  47.974 -94.396
  304   2H5*    A  29          2H5*        A  29  74.955  46.783 -93.827
  305    H4*    A  29           H4*        A  29  76.095  48.104 -95.436
  306    H3*    A  29           H3*        A  29  73.602  47.721 -97.090
  307   1H2*    A  29          1H2*        A  29  74.871  47.904 -99.041
  308   2HO*    A  29          2HO*        A  29  77.093  48.637 -98.912
  309    H1*    A  29           H1*        A  29  77.130  46.615 -98.077
  310    H8     A  29           H8         A  29  74.121  44.497 -97.357
  311   1H6     A  29          1H6         A  29  74.906  42.132-103.002
  312   2H6     A  29          2H6         A  29  74.173  41.881-101.432
  313    H2     A  29           H2         A  29  77.280  45.938-102.730
  314   1H5*    G  30          1H5*        G  30  72.926  51.830 -99.646
  315   2H5*    G  30          2H5*        G  30  74.458  51.260 -98.999
  316    H4*    G  30           H4*        G  30  74.557  50.905-101.343
  317    H3*    G  30           H3*        G  30  71.748  49.895-100.981
  318   1H2*    G  30          1H2*        G  30  72.001  48.339-102.699
  319   2HO*    G  30          2HO*        G  30  73.950  48.401-104.024
  320    H1*    G  30           H1*        G  30  74.526  47.527-102.139
  321    H8     G  30           H8         G  30  72.531  47.944 -98.921
  322    H1     G  30           H1         G  30  71.676  42.376-101.877
  323   1H2     G  30          1H2         G  30  73.048  43.996-104.633
  324   2H2     G  30          2H2         G  30  72.356  42.528-103.979
  325   1H5*    G  31          1H5*        G  31  70.410  51.950-105.705
  326   2H5*    G  31          2H5*        G  31  71.913  51.538-104.883
  327    H4*    G  31           H4*        G  31  71.623  49.960-106.656
  328    H3*    G  31           H3*        G  31  68.811  49.890-105.630
  329   1H2*    G  31          1H2*        G  31  68.570  47.623-106.070
  330   2HO*    G  31          2HO*        G  31  70.229  46.541-107.392
  331    H1*    G  31           H1*        G  31  71.137  46.809-105.463
  332    H8     G  31           H8         G  31  69.792  49.118-102.786
  333    H1     G  31           H1         G  31  68.072  43.035-101.955
  334   1H2     G  31          1H2         G  31  68.951  42.610-105.277
  335   2H2     G  31          2H2         G  31  68.322  41.901-103.811
  336   1H5*    G  32          1H5*        G  32  68.090  47.584-109.981
  337   2H5*    G  32          2H5*        G  32  69.219  48.052-108.713
  338    H4*    G  32           H4*        G  32  68.999  45.748-108.438
  339    H3*    G  32           H3*        G  32  66.075  46.185-109.007
  340   1H2*    G  32          1H2*        G  32  65.487  44.428-107.596
  341   2HO*    G  32          2HO*        G  32  67.929  43.461-108.487
  342    H1*    G  32           H1*        G  32  67.760  44.545-105.913
  343    H8     G  32           H8         G  32  65.863  47.733-105.586
  344    H1     G  32           H1         G  32  63.492  42.934-102.141
  345   1H2     G  32          1H2         G  32  65.293  40.907-104.328
  346   2H2     G  32          2H2         G  32  64.213  40.999-102.955
  347   1H5*    U  33          1H5*        U  33  67.893  44.087-113.343
  348   2H5*    U  33          2H5*        U  33  66.769  42.721-113.071
  349    H4*    U  33           H4*        U  33  66.636  43.387-115.392
  350    H3*    U  33           H3*        U  33  67.162  45.963-114.455
  351   1H2*    U  33          1H2*        U  33  65.084  46.640-113.866
  352   2HO*    U  33          2HO*        U  33  65.484  47.780-115.849
  353    H1*    U  33           H1*        U  33  63.590  44.965-115.826
  354    H3     U  33           H3         U  33  60.748  47.454-113.015
  355    H5     U  33           H5         U  33  61.700  43.826-111.089
  356    H6     U  33           H6         U  33  63.408  43.457-112.772
  357   1H5*    C  34          1H5*        C  34  69.414  43.948-117.072
  358   2H5*    C  34          2H5*        C  34  70.170  45.243-118.049
  359    H4*    C  34           H4*        C  34  71.962  43.988-117.076
  360    H3*    C  34           H3*        C  34  70.236  44.074-114.629
  361   1H2*    C  34          1H2*        C  34  71.956  44.420-113.182
  362   2HO*    C  34          2HO*        C  34  73.746  43.567-115.236
  363    H1*    C  34           H1*        C  34  73.611  45.987-114.715
  364   1H4     C  34          1H4         C  34  68.893  48.743-110.926
  365   2H4     C  34          2H4         C  34  70.431  49.290-110.293
  366    H5     C  34           H5         C  34  68.703  47.363-112.932
  367    H6     C  34           H6         C  34  69.929  46.102-114.592
  368   1H5*    A  35          1H5*        A  35  73.777  40.164-114.112
  369   2H5*    A  35          2H5*        A  35  73.170  41.680-114.833
  370    H4*    A  35           H4*        A  35  74.918  42.477-113.603
  371    H3*    A  35           H3*        A  35  74.847  40.019-112.239
  372   1H2*    A  35          1H2*        A  35  73.702  40.608-110.382
  373   2HO*    A  35          2HO*        A  35  76.077  42.134-109.918
  374    H1*    A  35           H1*        A  35  74.380  43.500-110.452
  375    H8     A  35           H8         A  35  71.074  42.786-111.622
  376   1H6     A  35          1H6         A  35  68.537  43.252-107.551
  377   2H6     A  35          2H6         A  35  68.969  43.178-105.863
  378    H2     A  35           H2         A  35  73.409  42.502-105.673
  379   1H5*    U  36          1H5*        U  36  79.993  42.299-111.413
  380   2H5*    U  36          2H5*        U  36  78.423  42.747-112.055
  381    H4*    U  36           H4*        U  36  79.007  44.541-110.687
  382    H3*    U  36           H3*        U  36  80.044  42.445-108.795
  383   1H2*    U  36          1H2*        U  36  79.629  43.814-106.991
  384   2HO*    U  36          2HO*        U  36  79.833  45.878-108.903
  385    H1*    U  36           H1*        U  36  77.394  45.133-108.021
  386    H3     U  36           H3         U  36  76.299  43.331-104.004
  387    H5     U  36           H5         U  36  75.774  40.287-106.865
  388    H6     U  36           H6         U  36  76.947  41.655-108.463
  389   1H5*    C  37          1H5*        C  37  83.919  45.874-107.890
  390   2H5*    C  37          2H5*        C  37  82.338  45.735-108.646
  391    H4*    C  37           H4*        C  37  82.060  46.930-106.599
  392    H3*    C  37           H3*        C  37  83.634  44.660-105.377
  393   1H2*    C  37          1H2*        C  37  82.461  44.931-103.401
  394   2HO*    C  37          2HO*        C  37  82.002  47.559-104.364
  395    H1*    C  37           H1*        C  37  80.073  45.862-104.544
  396   1H4     C  37          1H4         C  37  78.786  40.399-101.690
  397   2H4     C  37          2H4         C  37  79.047  39.565-103.205
  398    H5     C  37           H5         C  37  80.049  40.617-105.135
  399    H6     C  37           H6         C  37  80.829  42.737-106.076
  400   1H5*    G  38          1H5*        G  38  86.477  48.062-102.203
  401   2H5*    G  38          2H5*        G  38  85.016  48.459-103.096
  402    H4*    G  38           H4*        G  38  84.396  48.864-100.881
  403    H3*    G  38           H3*        G  38  86.181  46.531-100.285
  404   1H2*    G  38          1H2*        G  38  84.909  45.790 -98.523
  405   2HO*    G  38          2HO*        G  38  83.890  48.443 -98.491
  406    H1*    G  38           H1*        G  38  82.407  46.482 -99.448
  407    H8     G  38           H8         G  38  84.431  44.695-102.096
  408    H1     G  38           H1         G  38  81.442  40.770 -98.066
  409   1H2     G  38          1H2         G  38  81.141  43.577 -96.031
  410   2H2     G  38          2H2         G  38  80.835  41.867 -96.242
  411   1H5*    G  39          1H5*        G  39  87.428  48.080 -95.645
  412   2H5*    G  39          2H5*        G  39  86.122  48.425 -96.772
  413    H4*    G  39           H4*        G  39  85.200  47.033 -95.084
  414    H3*    G  39           H3*        G  39  87.690  45.382 -95.483
  415   1H2*    G  39          1H2*        G  39  86.542  43.450 -94.971
  416   2HO*    G  39          2HO*        G  39  84.450  43.562 -93.919
  417    H1*    G  39           H1*        G  39  84.056  44.216 -95.966
  418    H8     G  39           H8         G  39  86.638  44.531 -98.652
  419    H1     G  39           H1         G  39  84.725  38.523 -97.701
  420   1H2     G  39          1H2         G  39  83.723  38.345 -95.731
  421   2H2     G  39          2H2         G  39  83.517  39.714 -94.660
  422   1H5*    A  40          1H5*        A  40  88.768  45.020 -90.088
  423   2H5*    A  40          2H5*        A  40  87.232  45.560 -90.757
  424    H4*    A  40           H4*        A  40  86.649  43.691 -89.452
  425    H3*    A  40           H3*        A  40  89.261  42.605 -90.431
  426   1H2*    A  40          1H2*        A  40  88.516  40.459 -90.611
  427   2HO*    A  40          2HO*        A  40  86.636  41.271 -88.678
  428    H1*    A  40           H1*        A  40  85.898  40.894 -91.281
  429    H8     A  40           H8         A  40  88.209  42.935 -93.433
  430   1H6     A  40          1H6         A  40  88.212  38.113 -97.265
  431   2H6     A  40          2H6         A  40  88.499  39.833 -97.123
  432    H2     A  40           H2         A  40  86.652  36.724 -93.280
  433   1H5*    A  41          1H5*        A  41  88.450  39.488 -86.199
  434   2H5*    A  41          2H5*        A  41  87.374  40.419 -87.282
  435    H4*    A  41           H4*        A  41  86.625  38.135 -87.298
  436    H3*    A  41           H3*        A  41  89.545  37.542 -87.580
  437   1H2*    A  41          1H2*        A  41  89.232  35.823 -89.079
  438   2HO*    A  41          2HO*        A  41  86.491  35.768 -88.291
  439    H1*    A  41           H1*        A  41  87.047  36.776 -90.431
  440    H8     A  41           H8         A  41  89.948  39.172 -89.761
  441   1H6     A  41          1H6         A  41  92.517  38.373 -93.770
  442   2H6     A  41          2H6         A  41  92.390  37.190 -95.053
  443    H2     A  41           H2         A  41  88.829  34.627 -94.111
  444   1H5*    C  42          1H5*        C  42  89.324  33.113 -85.279
  445   2H5*    C  42          2H5*        C  42  88.398  33.547 -86.746
  446    H4*    C  42           H4*        C  42  89.719  31.429 -86.961
  447    H3*    C  42           H3*        C  42  91.929  33.346 -86.348
  448   1H2*    C  42          1H2*        C  42  93.298  32.555 -87.975
  449   2HO*    C  42          2HO*        C  42  93.116  30.437 -88.807
  450    H1*    C  42           H1*        C  42  91.441  31.600 -89.765
  451   1H4     C  42          1H4         C  42  94.262  36.519 -92.596
  452   2H4     C  42          2H4         C  42  93.789  37.602 -91.306
  453    H5     C  42           H5         C  42  92.553  36.888 -89.372
  454    H6     C  42           H6         C  42  91.499  34.981 -88.249
  455   1H5*    C  43          1H5*        C  43  94.437  28.899 -85.406
  456   2H5*    C  43          2H5*        C  43  93.179  29.489 -86.532
  457    H4*    C  43           H4*        C  43  95.079  28.431 -87.719
  458    H3*    C  43           H3*        C  43  96.591  30.456 -86.120
  459   1H2*    C  43          1H2*        C  43  97.970  31.065 -87.836
  460   2HO*    C  43          2HO*        C  43  97.188  28.681 -89.196
  461    H1*    C  43           H1*        C  43  96.216  30.782 -89.962
  462   1H4     C  43          1H4         C  43  96.822  36.985 -88.633
  463   2H4     C  43          2H4         C  43  95.835  36.803 -87.200
  464    H5     C  43           H5         C  43  94.995  34.680 -86.435
  465    H6     C  43           H6         C  43  94.871  32.262 -86.920
  466   1H5*    A  44          1H5*        A  44  99.276  30.814 -83.985
  467   2H5*    A  44          2H5*        A  44 100.573  29.583 -83.904
  468    H4*    A  44           H4*        A  44 101.762  30.722 -85.732
  469    H3*    A  44           H3*        A  44 101.192  31.899 -83.121
  470   1H2*    A  44          1H2*        A  44 100.873  34.008 -83.732
  471   2HO*    A  44          2HO*        A  44 103.312  33.744 -85.191
  472    H1*    A  44           H1*        A  44 101.559  33.753 -86.592
  473    H8     A  44           H8         A  44  97.989  33.270 -85.734
  474   1H6     A  44          1H6         A  44  96.390  37.825 -85.988
  475   2H6     A  44          2H6         A  44  97.200  39.369 -86.116
  476    H2     A  44           H2         A  44 101.615  38.523 -86.181
  477    H3T    A  44           H3T        A  44 103.126  30.792 -83.768
   
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  59.969  39.754-113.441
    2   2H5*    G   1          2H5*        G   1  60.503  41.415-113.060
    3    H4*    G   1           H4*        G   1  60.846  39.363-111.379
    4    H3*    G   1           H3*        G   1  57.985  40.073-111.150
    5   1H2*    G   1          1H2*        G   1  58.089  41.025-109.116
    6   2HO*    G   1          2HO*        G   1  59.845  38.931-108.289
    7    H1*    G   1           H1*        G   1  60.977  40.633-108.644
    8    H8     G   1           H8         G   1  60.079  43.736-110.347
    9    H1     G   1           H1         G   1  59.542  44.303-104.035
   10   1H2     G   1          1H2         G   1  59.697  40.843-104.046
   11   2H2     G   1          2H2         G   1  59.534  42.313-103.113
   12    H5T    G   1           H5T        G   1  58.379  41.833-112.326
   13   1H5*    G   2          1H5*        G   2  58.699  35.240-108.427
   14   2H5*    G   2          2H5*        G   2  60.402  35.419-108.025
   15    H4*    G   2           H4*        G   2  59.458  34.719-106.005
   16    H3*    G   2           H3*        G   2  57.118  36.374-106.880
   17   1H2*    G   2          1H2*        G   2  56.581  37.043-104.763
   18   2HO*    G   2          2HO*        G   2  57.451  35.902-102.896
   19    H1*    G   2           H1*        G   2  59.103  37.096-103.626
   20    H8     G   2           H8         G   2  59.089  39.020-106.825
   21    H1     G   2           H1         G   2  56.603  42.338-102.014
   22   1H2     G   2          1H2         G   2  56.433  39.330-100.323
   23   2H2     G   2          2H2         G   2  56.141  41.062-100.311
   24   1H5*    G   3          1H5*        G   3  53.573  33.230-104.581
   25   2H5*    G   3          2H5*        G   3  55.300  33.453-104.322
   26    H4*    G   3           H4*        G   3  54.271  34.373-102.395
   27    H3*    G   3           H3*        G   3  52.281  35.376-104.384
   28   1H2*    G   3          1H2*        G   3  51.970  37.393-103.354
   29   2HO*    G   3          2HO*        G   3  52.900  36.070-101.016
   30    H1*    G   3           H1*        G   3  54.456  37.693-102.159
   31    H8     G   3           H8         G   3  54.688  37.113-105.873
   32    H1     G   3           H1         G   3  53.650  43.191-104.265
   33   1H2     G   3          1H2         G   3  52.727  41.891-101.170
   34   2H2     G   3          2H2         G   3  52.926  43.310-102.173
   35   1H5*    A   4          1H5*        A   4  48.492  34.650-100.299
   36   2H5*    A   4          2H5*        A   4  50.236  34.599-100.092
   37    H4*    A   4           H4*        A   4  49.529  36.146 -98.469
   38    H3*    A   4           H3*        A   4  47.539  36.945-100.559
   39   1H2*    A   4          1H2*        A   4  47.561  39.176 -99.988
   40   2HO*    A   4          2HO*        A   4  48.692  38.266 -97.540
   41    H1*    A   4           H1*        A   4  50.207  39.464 -99.390
   42    H8     A   4           H8         A   4  49.805  37.361-102.466
   43   1H6     A   4          1H6         A   4  49.973  42.624-105.647
   44   2H6     A   4          2H6         A   4  50.146  40.886-105.742
   45    H2     A   4           H2         A   4  49.279  43.624-101.319
   46   1H5*    G   5          1H5*        G   5  43.793  38.479 -97.529
   47   2H5*    G   5          2H5*        G   5  45.529  38.358 -97.280
   48    H4*    G   5           H4*        G   5  45.122  40.668 -97.471
   49    H3*    G   5           H3*        G   5  43.187  39.829 -99.600
   50   1H2*    G   5          1H2*        G   5  43.566  41.705-100.880
   51   2HO*    G   5          2HO*        G   5  44.574  43.595 -99.934
   52    H1*    G   5           H1*        G   5  46.234  42.175-100.156
   53    H8     G   5           H8         G   5  45.859  38.680-101.406
   54    H1     G   5           H1         G   5  46.462  42.938-106.107
   55   1H2     G   5          1H2         G   5  46.032  44.981-105.368
   56   2H2     G   5          2H2         G   5  45.604  45.299-103.699
   57   1H5*    C   6          1H5*        C   6  39.336  42.493 -97.898
   58   2H5*    C   6          2H5*        C   6  40.582  43.287 -98.906
   59    H4*    C   6           H4*        C   6  38.310  43.765 -99.735
   60    H3*    C   6           H3*        C   6  38.132  40.777 -99.655
   61   1H2*    C   6          1H2*        C   6  37.063  40.606-101.673
   62   2HO*    C   6          2HO*        C   6  35.949  42.373-102.609
   63    H1*    C   6           H1*        C   6  38.192  42.776-102.986
   64   1H4     C   6          1H4         C   6  40.830  37.532-105.430
   65   2H4     C   6          2H4         C   6  41.717  37.243-103.951
   66    H5     C   6           H5         C   6  41.488  38.611-101.987
   67    H6     C   6           H6         C   6  40.355  40.552-101.006
   68   1H5*    U   7          1H5*        U   7  33.176  40.490 -99.383
   69   2H5*    U   7          2H5*        U   7  34.339  41.507-100.286
   70    H4*    U   7           H4*        U   7  33.179  40.152-101.887
   71    H3*    U   7           H3*        U   7  33.670  37.980 -99.889
   72   1H2*    U   7          1H2*        U   7  34.148  36.385-101.474
   73   2HO*    U   7          2HO*        U   7  33.390  36.568-103.621
   74    H1*    U   7           H1*        U   7  35.136  38.067-103.504
   75    H3     U   7           H3         U   7  38.620  35.294-103.102
   76    H5     U   7           H5         U   7  38.387  37.052 -99.281
   77    H6     U   7           H6         U   7  36.377  38.196 -99.995
   78   1H5*    C   8          1H5*        C   8  32.341  35.035 -99.701
   79   2H5*    C   8          2H5*        C   8  30.707  34.508 -99.195
   80    H4*    C   8           H4*        C   8  31.711  32.817-100.628
   81    H3*    C   8           H3*        C   8  32.499  35.174-102.181
   82   1H2*    C   8          1H2*        C   8  31.421  34.765-104.071
   83   2HO*    C   8          2HO*        C   8  32.121  32.021-103.742
   84    H1*    C   8           H1*        C   8  29.888  32.429-103.386
   85   1H4     C   8          1H4         C   8  25.747  36.328-106.125
   86   2H4     C   8          2H4         C   8  26.412  37.705-105.274
   87    H5     C   8           H5         C   8  28.264  37.522-103.737
   88    H6     C   8           H6         C   8  29.883  36.039-102.709
   89   1H5*    A   9          1H5*        A   9  35.260  31.684-104.689
   90   2H5*    A   9          2H5*        A   9  33.478  31.595-104.794
   91    H4*    A   9           H4*        A   9  34.598  31.074-106.947
   92    H3*    A   9           H3*        A   9  35.748  33.805-106.485
   93   1H2*    A   9          1H2*        A   9  35.523  34.416-108.688
   94   2HO*    A   9          2HO*        A   9  35.255  32.865-110.355
   95    H1*    A   9           H1*        A   9  33.209  33.024-109.302
   96    H8     A   9           H8         A   9  32.013  34.771-106.444
   97   1H6     A   9          1H6         A   9  32.594  40.203-109.279
   98   2H6     A   9          2H6         A   9  31.878  39.363-107.922
   99    H2     A   9           H2         A   9  34.916  37.149-111.623
  100   1H5*    A  10          1H5*        A  10  40.282  32.557-108.948
  101   2H5*    A  10          2H5*        A  10  38.611  31.951-109.145
  102    H4*    A  10           H4*        A  10  39.033  33.003-111.185
  103    H3*    A  10           H3*        A  10  40.599  34.968-109.553
  104   1H2*    A  10          1H2*        A  10  40.054  36.735-110.916
  105   2HO*    A  10          2HO*        A  10  39.292  36.424-113.057
  106    H1*    A  10           H1*        A  10  37.512  35.964-111.680
  107    H8     A  10           H8         A  10  37.674  35.780-107.959
  108   1H6     A  10          1H6         A  10  37.348  41.925-107.808
  109   2H6     A  10          2H6         A  10  37.213  40.457-106.865
  110    H2     A  10           H2         A  10  38.222  40.665-112.035
  111   1H5*    C  11          1H5*        C  11  43.941  35.945-113.389
  112   2H5*    C  11          2H5*        C  11  42.217  35.470-113.449
  113    H4*    C  11           H4*        C  11  42.445  37.669-114.430
  114    H3*    C  11           H3*        C  11  44.091  38.181-111.980
  115   1H2*    C  11          1H2*        C  11  43.249  40.282-111.641
  116   2HO*    C  11          2HO*        C  11  43.649  41.014-113.774
  117    H1*    C  11           H1*        C  11  40.695  39.940-112.608
  118   1H4     C  11          1H4         C  11  41.075  38.686-106.112
  119   2H4     C  11          2H4         C  11  40.218  40.202-106.289
  120    H5     C  11           H5         C  11  41.991  37.465-107.974
  121    H6     C  11           H6         C  11  42.309  37.444-110.404
  122   1H5*    U  12          1H5*        U  12  46.260  42.223-114.802
  123   2H5*    U  12          2H5*        U  12  44.596  41.631-115.082
  124    H4*    U  12           H4*        U  12  44.579  44.049-114.770
  125    H3*    U  12           H3*        U  12  46.197  43.343-112.355
  126   1H2*    U  12          1H2*        U  12  45.156  44.871-110.999
  127   2HO*    U  12          2HO*        U  12  44.015  46.667-111.859
  128    H1*    U  12           H1*        U  12  42.619  44.865-112.190
  129    H3     U  12           H3         U  12  41.240  43.334-108.231
  130    H5     U  12           H5         U  12  44.503  40.809-109.098
  131    H6     U  12           H6         U  12  44.831  42.053-111.158
  132   1H5*    C  13          1H5*        C  13  48.701  48.010-112.753
  133   2H5*    C  13          2H5*        C  13  47.121  47.394-113.226
  134    H4*    C  13           H4*        C  13  46.805  49.110-111.559
  135    H3*    C  13           H3*        C  13  48.977  47.596-110.156
  136   1H2*    C  13          1H2*        C  13  48.022  47.897-108.054
  137   2HO*    C  13          2HO*        C  13  46.536  49.932-109.343
  138    H1*    C  13           H1*        C  13  45.473  47.468-108.669
  139   1H4     C  13          1H4         C  13  47.216  41.579-107.215
  140   2H4     C  13          2H4         C  13  47.749  41.339-108.864
  141    H5     C  13           H5         C  13  47.980  43.136-110.450
  142    H6     C  13           H6         C  13  47.601  45.523-110.844
  143   1H5*    U  14          1H5*        U  14  51.065  51.476-107.553
  144   2H5*    U  14          2H5*        U  14  49.393  51.350-108.086
  145    H4*    U  14           H4*        U  14  49.238  51.247-105.757
  146    H3*    U  14           H3*        U  14  51.756  49.613-105.927
  147   1H2*    U  14          1H2*        U  14  51.168  48.364-104.064
  148   2HO*    U  14          2HO*        U  14  49.373  49.068-102.710
  149    H1*    U  14           H1*        U  14  48.448  48.255-104.479
  150    H3     U  14           H3         U  14  49.925  43.983-104.570
  151    H5     U  14           H5         U  14  50.670  45.480-108.435
  152    H6     U  14           H6         U  14  50.211  47.701-107.594
  153   1H5*    C  15          1H5*        C  15  52.982  51.793-101.281
  154   2H5*    C  15          2H5*        C  15  51.627  51.607-102.389
  155    H4*    C  15           H4*        C  15  51.300  50.120-100.524
  156    H3*    C  15           H3*        C  15  54.147  49.351-101.110
  157   1H2*    C  15          1H2*        C  15  53.752  47.144-100.562
  158   2HO*    C  15          2HO*        C  15  51.484  48.151 -99.184
  159    H1*    C  15           H1*        C  15  51.173  46.943-101.452
  160   1H4     C  15          1H4         C  15  54.425  43.800-105.840
  161   2H4     C  15          2H4         C  15  54.681  45.296-106.710
  162    H5     C  15           H5         C  15  54.247  47.470-105.747
  163    H6     C  15           H6         C  15  53.214  48.660-103.881
  164   1H5*    C  16          1H5*        C  16  55.106  48.526 -96.032
  165   2H5*    C  16          2H5*        C  16  53.658  48.523 -97.027
  166    H4*    C  16           H4*        C  16  54.062  46.294 -96.180
  167    H3*    C  16           H3*        C  16  56.783  46.647 -97.453
  168   1H2*    C  16          1H2*        C  16  56.852  44.313 -97.786
  169   2HO*    C  16          2HO*        C  16  54.427  44.143 -96.289
  170    H1*    C  16           H1*        C  16  54.280  44.089 -98.634
  171   1H4     C  16          1H4         C  16  57.479  46.189-103.965
  172   2H4     C  16          2H4         C  16  57.603  44.444-104.006
  173    H5     C  16           H5         C  16  56.570  47.401-102.104
  174    H6     C  16           H6         C  16  55.597  47.210 -99.856
  175   1H5*    C  17          1H5*        C  17  59.290  43.310 -94.847
  176   2H5*    C  17          2H5*        C  17  57.573  43.676 -94.953
  177    H4*    C  17           H4*        C  17  57.745  41.859 -96.372
  178    H3*    C  17           H3*        C  17  60.459  42.960 -97.046
  179   1H2*    C  17          1H2*        C  17  60.389  42.007 -99.157
  180   2HO*    C  17          2HO*        C  17  58.891  40.290 -99.617
  181    H1*    C  17           H1*        C  17  57.598  42.088 -99.493
  182   1H4     C  17          1H4         C  17  59.551  47.330-102.820
  183   2H4     C  17          2H4         C  17  59.669  46.002-103.959
  184    H5     C  17           H5         C  17  59.243  47.014-100.432
  185    H6     C  17           H6         C  17  58.780  45.370 -98.670
  186   1H5*    C  18          1H5*        C  18  62.266  38.012 -96.984
  187   2H5*    C  18          2H5*        C  18  60.734  38.871 -97.095
  188    H4*    C  18           H4*        C  18  61.197  37.933 -99.246
  189    H3*    C  18           H3*        C  18  63.927  39.129 -98.822
  190   1H2*    C  18          1H2*        C  18  64.152  39.577-101.085
  191   2HO*    C  18          2HO*        C  18  62.698  38.615-102.632
  192    H1*    C  18           H1*        C  18  61.507  40.182-101.631
  193   1H4     C  18          1H4         C  18  64.300  45.847-101.610
  194   2H4     C  18          2H4         C  18  63.945  45.989 -99.903
  195    H5     C  18           H5         C  18  63.183  44.148 -98.560
  196    H6     C  18           H6         C  18  62.458  41.805 -98.583
  197   1H5*    C  19          1H5*        C  19  65.542  34.554-101.288
  198   2H5*    C  19          2H5*        C  19  64.100  35.480-100.878
  199    H4*    C  19           H4*        C  19  64.706  35.861-103.206
  200    H3*    C  19           H3*        C  19  67.375  36.499-101.978
  201   1H2*    C  19          1H2*        C  19  67.767  38.223-103.463
  202   2HO*    C  19          2HO*        C  19  66.254  38.458-105.324
  203    H1*    C  19           H1*        C  19  65.195  39.128-103.711
  204   1H4     C  19          1H4         C  19  67.786  43.499 -99.994
  205   2H4     C  19          2H4         C  19  67.373  42.540 -98.587
  206    H5     C  19           H5         C  19  66.596  40.254 -98.722
  207    H6     C  19           H6         C  19  65.906  38.455-100.239
  208   1H5*    C  20          1H5*        C  20  70.477  34.536-105.610
  209   2H5*    C  20          2H5*        C  20  68.855  35.192-105.785
  210    H4*    C  20           H4*        C  20  70.322  36.688-106.919
  211    H3*    C  20           H3*        C  20  72.004  36.323-104.476
  212   1H2*    C  20          1H2*        C  20  72.753  38.467-104.475
  213   2HO*    C  20          2HO*        C  20  71.972  38.563-107.219
  214    H1*    C  20           H1*        C  20  70.547  39.695-105.616
  215   1H4     C  20          1H4         C  20  70.399  41.743 -99.683
  216   2H4     C  20          2H4         C  20  69.503  40.311 -99.224
  217    H5     C  20           H5         C  20  69.260  38.397-100.682
  218    H6     C  20           H6         C  20  69.603  37.550-102.960
  219   1H5*    C  21          1H5*        C  21  76.170  36.363-106.933
  220   2H5*    C  21          2H5*        C  21  74.869  37.523-106.536
  221    H4*    C  21           H4*        C  21  77.059  38.415-105.917
  222    H3*    C  21           H3*        C  21  77.267  35.797-104.479
  223   1H2*    C  21          1H2*        C  21  78.271  36.734-102.634
  224   2HO*    C  21          2HO*        C  21  79.918  37.747-103.887
  225    H1*    C  21           H1*        C  21  77.163  39.327-102.841
  226   1H4     C  21          1H4         C  21  75.228  36.253 -97.549
  227   2H4     C  21          2H4         C  21  73.623  36.319 -98.242
  228    H5     C  21           H5         C  21  73.195  37.029-100.493
  229    H6     C  21           H6         C  21  74.181  37.872-102.575
  230   1H5*    U  22          1H5*        U  22  81.983  37.167-106.867
  231   2H5*    U  22          2H5*        U  22  82.264  38.933-106.795
  232    H4*    U  22           H4*        U  22  83.336  38.694-104.608
  233    H3*    U  22           H3*        U  22  84.378  37.768-107.058
  234   1H2*    U  22          1H2*        U  22  84.438  35.535-106.666
  235   2HO*    U  22          2HO*        U  22  86.334  34.915-105.533
  236    H1*    U  22           H1*        U  22  84.661  35.715-103.703
  237    H3     U  22           H3         U  22  84.217  31.240-104.017
  238    H5     U  22           H5         U  22  80.777  32.721-105.950
  239    H6     U  22           H6         U  22  81.682  34.956-105.700
  240   1H5*    U  23          1H5*        U  23  86.942  35.895-107.524
  241   2H5*    U  23          2H5*        U  23  88.033  37.084-108.296
  242    H4*    U  23           H4*        U  23  89.190  34.974-108.206
  243    H3*    U  23           H3*        U  23  88.118  34.919-105.414
  244   1H2*    U  23          1H2*        U  23  89.997  33.935-104.525
  245   2HO*    U  23          2HO*        U  23  90.824  33.342-107.188
  246    H1*    U  23           H1*        U  23  91.891  35.205-106.000
  247    H3     U  23           H3         U  23  91.844  36.205-101.456
  248    H5     U  23           H5         U  23  89.685  39.222-103.459
  249    H6     U  23           H6         U  23  89.743  37.838-105.456
  250   1H5*    U  24          1H5*        U  24  87.661  30.549-104.382
  251   2H5*    U  24          2H5*        U  24  89.028  31.632-104.768
  252    H4*    U  24           H4*        U  24  88.978  30.596-102.429
  253    H3*    U  24           H3*        U  24  86.644  32.491-102.276
  254   1H2*    U  24          1H2*        U  24  87.205  33.084-100.136
  255   2HO*    U  24          2HO*        U  24  88.830  30.749 -99.998
  256    H1*    U  24           H1*        U  24  89.975  32.760-100.365
  257    H3     U  24           H3         U  24  89.089  36.886 -98.699
  258    H5     U  24           H5         U  24  87.999  37.157-102.754
  259    H6     U  24           H6         U  24  88.476  34.790-102.984
  260   1H5*    U  25          1H5*        U  25  83.903  29.027 -99.088
  261   2H5*    U  25          2H5*        U  25  85.614  28.997 -99.481
  262    H4*    U  25           H4*        U  25  85.487  29.095 -97.126
  263    H3*    U  25           H3*        U  25  83.521  31.338 -97.529
  264   1H2*    U  25          1H2*        U  25  84.099  32.138 -95.413
  265   2HO*    U  25          2HO*        U  25  85.485  29.670 -95.079
  266    H1*    U  25           H1*        U  25  86.756  31.699 -95.705
  267    H3     U  25           H3         U  25  85.954  36.139 -95.311
  268    H5     U  25           H5         U  25  85.475  35.286 -99.404
  269    H6     U  25           H6         U  25  85.593  32.919 -98.858
  270   1H5*    C  26          1H5*        C  26  79.894  30.059 -93.283
  271   2H5*    C  26          2H5*        C  26  81.406  29.604 -92.566
  272    H4*    C  26           H4*        C  26  81.510  31.783 -92.120
  273    H3*    C  26           H3*        C  26  79.855  32.356 -94.574
  274   1H2*    C  26          1H2*        C  26  80.368  34.623 -94.117
  275   2HO*    C  26          2HO*        C  26  81.555  33.883 -91.649
  276    H1*    C  26           H1*        C  26  82.918  34.075 -93.123
  277   1H4     C  26          1H4         C  26  83.845  37.255 -98.527
  278   2H4     C  26          2H4         C  26  83.468  35.824 -99.467
  279    H5     C  26           H5         C  26  82.575  33.792 -98.487
  280    H6     C  26           H6         C  26  82.040  32.652 -96.381
  281   1H5*    C  27          1H5*        C  27  76.486  35.504 -92.723
  282   2H5*    C  27          2H5*        C  27  76.311  35.452 -90.955
  283    H4*    C  27           H4*        C  27  77.868  37.157 -90.641
  284    H3*    C  27           H3*        C  27  76.313  37.571 -93.181
  285   1H2*    C  27          1H2*        C  27  77.525  39.411 -93.791
  286   2HO*    C  27          2HO*        C  27  77.807  39.693 -91.033
  287    H1*    C  27           H1*        C  27  79.967  38.703 -92.596
  288   1H4     C  27          1H4         C  27  81.168  38.334 -98.758
  289   2H4     C  27          2H4         C  27  80.761  36.632 -98.706
  290    H5     C  27           H5         C  27  79.612  35.607 -96.842
  291    H6     C  27           H6         C  27  78.862  35.935 -94.531
  292   1H5*    G  28          1H5*        G  28  73.825  42.004 -91.560
  293   2H5*    G  28          2H5*        G  28  75.290  41.329 -90.859
  294    H4*    G  28           H4*        G  28  75.985  43.405 -91.679
  295    H3*    G  28           H3*        G  28  74.076  42.824 -93.918
  296   1H2*    G  28          1H2*        G  28  75.370  43.889 -95.497
  297   2HO*    G  28          2HO*        G  28  76.612  45.183 -93.281
  298    H1*    G  28           H1*        G  28  77.876  43.333 -94.478
  299    H8     G  28           H8         G  28  75.766  40.214 -94.688
  300    H1     G  28           H1         G  28  78.606  41.748-100.181
  301   1H2     G  28          1H2         G  28  79.108  44.862 -98.703
  302   2H2     G  28          2H2         G  28  79.320  43.846-100.111
  303   1H5*    A  29          1H5*        A  29  73.504  48.198 -93.980
  304   2H5*    A  29          2H5*        A  29  74.655  47.045 -93.316
  305    H4*    A  29           H4*        A  29  75.872  48.381 -94.853
  306    H3*    A  29           H3*        A  29  73.471  47.979 -96.621
  307   1H2*    A  29          1H2*        A  29  74.784  48.038 -98.534
  308   2HO*    A  29          2HO*        A  29  76.709  49.287 -96.851
  309    H1*    A  29           H1*        A  29  77.029  46.788 -97.492
  310    H8     A  29           H8         A  29  73.946  44.794 -96.676
  311   1H6     A  29          1H6         A  29  74.799  41.984-102.096
  312   2H6     A  29          2H6         A  29  74.015  41.880-100.535
  313    H2     A  29           H2         A  29  77.299  45.720-102.046
  314   1H5*    G  30          1H5*        G  30  73.369  51.995 -99.346
  315   2H5*    G  30          2H5*        G  30  74.710  51.182 -98.549
  316    H4*    G  30           H4*        G  30  74.868  50.740-100.904
  317    H3*    G  30           H3*        G  30  71.953  50.040-100.611
  318   1H2*    G  30          1H2*        G  30  72.129  48.422-102.288
  319   2HO*    G  30          2HO*        G  30  74.705  49.531-102.835
  320    H1*    G  30           H1*        G  30  74.538  47.392-101.543
  321    H8     G  30           H8         G  30  72.380  48.084 -98.482
  322    H1     G  30           H1         G  30  71.160  42.549-101.382
  323   1H2     G  30          1H2         G  30  72.969  43.914-104.027
  324   2H2     G  30          2H2         G  30  72.058  42.554-103.411
  325   1H5*    G  31          1H5*        G  31  70.105  52.230-105.077
  326   2H5*    G  31          2H5*        G  31  71.783  51.744-104.858
  327    H4*    G  31           H4*        G  31  71.028  50.330-106.570
  328    H3*    G  31           H3*        G  31  68.465  50.378-105.018
  329   1H2*    G  31          1H2*        G  31  67.914  48.192-105.544
  330   2HO*    G  31          2HO*        G  31  69.248  47.073-107.217
  331    H1*    G  31           H1*        G  31  70.431  47.090-105.518
  332    H8     G  31           H8         G  31  69.917  49.335-102.518
  333    H1     G  31           H1         G  31  67.646  43.438-101.729
  334   1H2     G  31          1H2         G  31  67.823  43.228-105.183
  335   2H2     G  31          2H2         G  31  67.411  42.447-103.674
  336   1H5*    G  32          1H5*        G  32  66.032  50.256-110.097
  337   2H5*    G  32          2H5*        G  32  67.732  50.046-109.691
  338    H4*    G  32           H4*        G  32  67.229  48.097-110.892
  339    H3*    G  32           H3*        G  32  64.547  48.385-109.610
  340   1H2*    G  32          1H2*        G  32  64.192  46.163-109.244
  341   2HO*    G  32          2HO*        G  32  66.146  45.806-111.269
  342    H1*    G  32           H1*        G  32  66.697  45.355-108.570
  343    H8     G  32           H8         G  32  65.989  48.774-107.183
  344    H1     G  32           H1         G  32  64.015  44.106-103.339
  345   1H2     G  32          1H2         G  32  64.305  42.047-106.115
  346   2H2     G  32          2H2         G  32  63.877  42.197-104.420
  347   1H5*    U  33          1H5*        U  33  63.352  44.615-112.042
  348   2H5*    U  33          2H5*        U  33  61.928  45.193-112.960
  349    H4*    U  33           H4*        U  33  62.758  43.176-114.005
  350    H3*    U  33           H3*        U  33  65.286  44.047-113.180
  351   1H2*    U  33          1H2*        U  33  65.831  45.442-114.885
  352   2HO*    U  33          2HO*        U  33  66.017  42.947-116.268
  353    H1*    U  33           H1*        U  33  64.222  44.071-116.986
  354    H3     U  33           H3         U  33  64.922  47.606-119.624
  355    H5     U  33           H5         U  33  64.223  49.389-115.869
  356    H6     U  33           H6         U  33  64.025  47.164-114.923
  357   1H5*    C  34          1H5*        C  34  67.611  39.868-114.811
  358   2H5*    C  34          2H5*        C  34  67.348  41.311-115.838
  359    H4*    C  34           H4*        C  34  69.675  40.530-116.019
  360    H3*    C  34           H3*        C  34  69.459  40.649-113.050
  361   1H2*    C  34          1H2*        C  34  71.537  41.596-112.721
  362   2HO*    C  34          2HO*        C  34  73.153  41.518-114.356
  363    H1*    C  34           H1*        C  34  71.674  43.175-114.992
  364   1H4     C  34          1H4         C  34  68.987  45.953-109.585
  365   2H4     C  34          2H4         C  34  70.276  47.011-110.115
  366    H5     C  34           H5         C  34  68.418  43.892-110.721
  367    H6     C  34           H6         C  34  68.885  42.477-112.638
  368   1H5*    A  35          1H5*        A  35  73.550  38.194-112.644
  369   2H5*    A  35          2H5*        A  35  72.740  39.487-113.565
  370    H4*    A  35           H4*        A  35  74.450  40.624-112.564
  371    H3*    A  35           H3*        A  35  74.541  38.471-110.738
  372   1H2*    A  35          1H2*        A  35  73.468  39.424-108.967
  373   2HO*    A  35          2HO*        A  35  75.715  39.629-108.383
  374    H1*    A  35           H1*        A  35  74.033  42.231-109.784
  375    H8     A  35           H8         A  35  70.723  41.375-110.454
  376   1H6     A  35          1H6         A  35  68.486  42.776-106.434
  377   2H6     A  35          2H6         A  35  69.049  43.019-104.798
  378    H2     A  35           H2         A  35  73.419  42.176-104.749
  379   1H5*    U  36          1H5*        U  36  79.739  40.764-110.509
  380   2H5*    U  36          2H5*        U  36  78.180  41.235-111.162
  381    H4*    U  36           H4*        U  36  78.961  43.155-110.077
  382    H3*    U  36           H3*        U  36  79.893  41.254-107.940
  383   1H2*    U  36          1H2*        U  36  79.616  42.861-106.311
  384   2HO*    U  36          2HO*        U  36  79.403  45.111-106.884
  385    H1*    U  36           H1*        U  36  77.463  44.211-107.461
  386    H3     U  36           H3         U  36  76.281  42.996-103.257
  387    H5     U  36           H5         U  36  75.476  39.682-105.722
  388    H6     U  36           H6         U  36  76.761  40.734-107.474
  389   1H5*    C  37          1H5*        C  37  83.871  44.538-107.297
  390   2H5*    C  37          2H5*        C  37  82.291  44.421-108.061
  391    H4*    C  37           H4*        C  37  82.051  45.809-106.137
  392    H3*    C  37           H3*        C  37  83.509  43.594-104.690
  393   1H2*    C  37          1H2*        C  37  82.354  44.117-102.756
  394   2HO*    C  37          2HO*        C  37  81.229  46.150-102.563
  395    H1*    C  37           H1*        C  37  79.998  44.992-103.995
  396   1H4     C  37          1H4         C  37  78.572  39.772-100.749
  397   2H4     C  37          2H4         C  37  78.834  38.827-102.197
  398    H5     C  37           H5         C  37  79.886  39.713-104.181
  399    H6     C  37           H6         C  37  80.710  41.747-105.268
  400   1H5*    G  38          1H5*        G  38  86.411  47.050-101.714
  401   2H5*    G  38          2H5*        G  38  84.967  47.471-102.624
  402    H4*    G  38           H4*        G  38  84.377  48.012-100.435
  403    H3*    G  38           H3*        G  38  86.001  45.592 -99.707
  404   1H2*    G  38          1H2*        G  38  84.712  45.139 -97.847
  405   2HO*    G  38          2HO*        G  38  83.778  47.819 -98.132
  406    H1*    G  38           H1*        G  38  82.262  45.856 -98.867
  407    H8     G  38           H8         G  38  84.227  43.748-101.323
  408    H1     G  38           H1         G  38  81.111  40.341 -96.934
  409   1H2     G  38          1H2         G  38  80.871  43.353 -95.206
  410   2H2     G  38          2H2         G  38  80.522  41.639 -95.240
  411   1H5*    G  39          1H5*        G  39  88.355  47.078 -95.612
  412   2H5*    G  39          2H5*        G  39  86.816  47.533 -96.325
  413    H4*    G  39           H4*        G  39  86.291  46.169 -94.477
  414    H3*    G  39           H3*        G  39  88.525  44.407 -95.466
  415   1H2*    G  39          1H2*        G  39  87.395  42.489 -94.769
  416   2HO*    G  39          2HO*        G  39  85.874  44.201 -93.073
  417    H1*    G  39           H1*        G  39  84.768  43.500 -94.916
  418    H8     G  39           H8         G  39  86.411  43.545 -98.297
  419    H1     G  39           H1         G  39  83.966  37.868 -96.694
  420   1H2     G  39          1H2         G  39  83.574  37.797 -94.514
  421   2H2     G  39          2H2         G  39  83.917  39.149 -93.456
  422   1H5*    A  40          1H5*        A  40  88.436  44.465 -89.855
  423   2H5*    A  40          2H5*        A  40  86.778  44.978 -89.563
  424    H4*    A  40           H4*        A  40  86.855  43.081 -88.255
  425    H3*    A  40           H3*        A  40  88.887  42.118 -90.248
  426   1H2*    A  40          1H2*        A  40  88.329  39.902 -89.963
  427   2HO*    A  40          2HO*        A  40  87.115  39.162 -88.194
  428    H1*    A  40           H1*        A  40  85.628  40.155 -89.718
  429    H8     A  40           H8         A  40  86.722  42.393 -92.446
  430   1H6     A  40          1H6         A  40  86.308  37.500 -96.155
  431   2H6     A  40          2H6         A  40  86.333  39.245 -96.085
  432    H2     A  40           H2         A  40  86.367  36.038 -91.903
  433   1H5*    A  41          1H5*        A  41  90.145  39.082 -86.396
  434   2H5*    A  41          2H5*        A  41  88.570  39.596 -87.060
  435    H4*    A  41           H4*        A  41  88.639  37.171 -86.791
  436    H3*    A  41           H3*        A  41  91.147  37.437 -88.416
  437   1H2*    A  41          1H2*        A  41  90.712  35.498 -89.581
  438   2HO*    A  41          2HO*        A  41  90.392  34.262 -87.638
  439    H1*    A  41           H1*        A  41  87.913  35.579 -89.464
  440    H8     A  41           H8         A  41  89.719  38.588 -90.952
  441   1H6     A  41          1H6         A  41  90.020  37.099 -95.530
  442   2H6     A  41          2H6         A  41  89.679  35.573 -96.316
  443    H2     A  41           H2         A  41  88.232  32.763 -93.121
  444   1H5*    C  42          1H5*        C  42  93.515  33.520 -86.400
  445   2H5*    C  42          2H5*        C  42  91.884  33.456 -87.130
  446    H4*    C  42           H4*        C  42  93.489  31.794 -88.089
  447    H3*    C  42           H3*        C  42  94.978  34.317 -88.674
  448   1H2*    C  42          1H2*        C  42  95.484  33.724 -90.813
  449   2HO*    C  42          2HO*        C  42  95.039  31.021 -90.084
  450    H1*    C  42           H1*        C  42  93.387  32.022 -91.354
  451   1H4     C  42          1H4         C  42  92.442  36.953 -95.203
  452   2H4     C  42          2H4         C  42  92.422  38.075 -93.861
  453    H5     C  42           H5         C  42  92.775  37.402 -91.577
  454    H6     C  42           H6         C  42  93.183  35.506 -90.076
  455   1H5*    C  43          1H5*        C  43  98.733  30.914 -89.464
  456   2H5*    C  43          2H5*        C  43  96.975  31.059 -89.763
  457    H4*    C  43           H4*        C  43  98.285  30.472 -91.811
  458    H3*    C  43           H3*        C  43  99.664  33.002 -91.027
  459   1H2*    C  43          1H2*        C  43  99.707  33.883 -93.116
  460   2HO*    C  43          2HO*        C  43  99.224  31.263 -94.137
  461    H1*    C  43           H1*        C  43  97.365  32.821 -94.148
  462   1H4     C  43          1H4         C  43  96.365  38.978 -92.858
  463   2H4     C  43          2H4         C  43  96.401  38.655 -91.140
  464    H5     C  43           H5         C  43  96.868  36.481 -90.214
  465    H6     C  43           H6         C  43  97.361  34.123 -90.749
  466   1H5*    A  44          1H5*        A  44 103.835  33.839 -90.117
  467   2H5*    A  44          2H5*        A  44 104.312  32.758 -91.462
  468    H4*    A  44           H4*        A  44 104.926  35.100 -91.927
  469    H3*    A  44           H3*        A  44 102.212  35.568 -90.966
  470   1H2*    A  44          1H2*        A  44 101.222  36.105 -92.871
  471   2HO*    A  44          2HO*        A  44 103.402  37.907 -93.264
  472    H1*    A  44           H1*        A  44 103.591  36.132 -94.626
  473    H8     A  44           H8         A  44 101.482  33.040 -94.086
  474   1H6     A  44          1H6         A  44  98.624  33.378 -97.973
  475   2H6     A  44          2H6         A  44  98.376  34.631 -99.167
  476    H2     A  44           H2         A  44 101.113  38.027 -98.083
  477    H3T    A  44           H3T        A  44 104.147  36.674 -90.313
   
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  61.826  39.679-113.819
    2   2H5*    G   1          2H5*        G   1  62.671  41.060-113.063
    3    H4*    G   1           H4*        G   1  62.478  38.772-111.780
    4    H3*    G   1           H3*        G   1  59.729  39.562-112.045
    5   1H2*    G   1          1H2*        G   1  59.513  40.769-110.180
    6   2HO*    G   1          2HO*        G   1  60.168  38.286-108.900
    7    H1*    G   1           H1*        G   1  61.871  39.617-108.785
    8    H8     G   1           H8         G   1  61.965  43.031-110.196
    9    H1     G   1           H1         G   1  60.067  42.959-104.123
   10   1H2     G   1          1H2         G   1  59.462  39.576-104.689
   11   2H2     G   1          2H2         G   1  59.399  40.920-103.570
   12    H5T    G   1           H5T        G   1  60.623  41.819-112.386
   13   1H5*    G   2          1H5*        G   2  57.557  35.106-109.478
   14   2H5*    G   2          2H5*        G   2  59.306  35.163-109.322
   15    H4*    G   2           H4*        G   2  58.691  34.835-107.117
   16    H3*    G   2           H3*        G   2  56.214  36.337-107.887
   17   1H2*    G   2          1H2*        G   2  55.937  37.275-105.814
   18   2HO*    G   2          2HO*        G   2  57.558  35.125-104.895
   19    H1*    G   2           H1*        G   2  58.591  37.489-105.039
   20    H8     G   2           H8         G   2  58.030  38.942-108.423
   21    H1     G   2           H1         G   2  56.457  42.926-103.721
   22   1H2     G   2          1H2         G   2  56.546  40.088-101.708
   23   2H2     G   2          2H2         G   2  56.271  41.812-101.817
   24   1H5*    G   3          1H5*        G   3  53.753  33.437-104.155
   25   2H5*    G   3          2H5*        G   3  55.385  33.751-104.747
   26    H4*    G   3           H4*        G   3  55.296  35.145-102.878
   27    H3*    G   3           H3*        G   3  52.398  35.267-103.544
   28   1H2*    G   3          1H2*        G   3  52.203  37.564-103.043
   29   2HO*    G   3          2HO*        G   3  53.552  38.474-101.427
   30    H1*    G   3           H1*        G   3  54.963  38.229-103.079
   31    H8     G   3           H8         G   3  53.796  37.487-106.504
   32    H1     G   3           H1         G   3  52.841  43.498-104.613
   33   1H2     G   3          1H2         G   3  53.109  42.181-101.402
   34   2H2     G   3          2H2         G   3  52.841  43.595-102.399
   35   1H5*    A   4          1H5*        A   4  49.922  34.747 -99.335
   36   2H5*    A   4          2H5*        A   4  50.787  34.366 -97.858
   37    H4*    A   4           H4*        A   4  50.095  36.319 -96.976
   38    H3*    A   4           H3*        A   4  48.870  36.649 -99.728
   39   1H2*    A   4          1H2*        A   4  48.334  38.890 -99.262
   40   2HO*    A   4          2HO*        A   4  48.963  39.750 -97.127
   41    H1*    A   4           H1*        A   4  50.729  39.580 -98.374
   42    H8     A   4           H8         A   4  51.157  36.859-100.847
   43   1H6     A   4          1H6         A   4  50.480  41.060-105.300
   44   2H6     A   4          2H6         A   4  51.021  39.437-104.939
   45    H2     A   4           H2         A   4  49.251  42.918-101.395
   46   1H5*    G   5          1H5*        G   5  44.613  37.420 -96.606
   47   2H5*    G   5          2H5*        G   5  46.369  37.401 -96.770
   48    H4*    G   5           H4*        G   5  45.561  39.699 -96.744
   49    H3*    G   5           H3*        G   5  43.717  38.636 -98.845
   50   1H2*    G   5          1H2*        G   5  43.883  40.489-100.185
   51   2HO*    G   5          2HO*        G   5  44.564  42.519 -99.357
   52    H1*    G   5           H1*        G   5  46.484  41.287 -99.517
   53    H8     G   5           H8         G   5  46.652  37.747-100.552
   54    H1     G   5           H1         G   5  46.408  41.727-105.525
   55   1H2     G   5          1H2         G   5  45.685  43.723-104.892
   56   2H2     G   5          2H2         G   5  45.256  44.074-103.229
   57   1H5*    C   6          1H5*        C   6  39.879  41.308 -97.499
   58   2H5*    C   6          2H5*        C   6  41.258  41.814 -98.521
   59    H4*    C   6           H4*        C   6  39.108  42.413 -99.564
   60    H3*    C   6           H3*        C   6  38.562  39.515 -99.057
   61   1H2*    C   6          1H2*        C   6  37.603  39.134-101.097
   62   2HO*    C   6          2HO*        C   6  36.774  40.835-102.386
   63    H1*    C   6           H1*        C   6  39.067  40.892-102.652
   64   1H4     C   6          1H4         C   6  41.300  35.064-103.871
   65   2H4     C   6          2H4         C   6  42.119  35.021-102.325
   66    H5     C   6           H5         C   6  41.925  36.768-100.679
   67    H6     C   6           H6         C   6  40.893  38.932-100.156
   68   1H5*    U   7          1H5*        U   7  33.600  39.635 -98.599
   69   2H5*    U   7          2H5*        U   7  34.772  40.467 -99.664
   70    H4*    U   7           H4*        U   7  33.589  38.859-101.001
   71    H3*    U   7           H3*        U   7  34.086  37.071 -98.656
   72   1H2*    U   7          1H2*        U   7  34.561  35.225 -99.926
   73   2HO*    U   7          2HO*        U   7  33.815  35.034-102.088
   74    H1*    U   7           H1*        U   7  35.561  36.508-102.224
   75    H3     U   7           H3         U   7  39.009  33.822-101.245
   76    H5     U   7           H5         U   7  38.799  36.350 -97.881
   77    H6     U   7           H6         U   7  36.792  37.328 -98.816
   78   1H5*    C   8          1H5*        C   8  32.213  33.999 -98.114
   79   2H5*    C   8          2H5*        C   8  30.483  33.642 -97.821
   80    H4*    C   8           H4*        C   8  31.421  31.871 -99.174
   81    H3*    C   8           H3*        C   8  32.942  33.990-100.325
   82   1H2*    C   8          1H2*        C   8  31.828  34.427-102.202
   83   2HO*    C   8          2HO*        C   8  33.254  32.778-103.018
   84    H1*    C   8           H1*        C   8  30.029  32.126-102.327
   85   1H4     C   8          1H4         C   8  26.543  36.849-104.635
   86   2H4     C   8          2H4         C   8  27.156  37.955-103.427
   87    H5     C   8           H5         C   8  28.769  37.300-101.752
   88    H6     C   8           H6         C   8  30.153  35.506-100.892
   89   1H5*    A   9          1H5*        A   9  35.343  30.224-103.340
   90   2H5*    A   9          2H5*        A   9  33.559  30.139-103.260
   91    H4*    A   9           H4*        A   9  34.487  29.830-105.563
   92    H3*    A   9           H3*        A   9  35.589  32.542-104.940
   93   1H2*    A   9          1H2*        A   9  35.083  33.402-107.002
   94   2HO*    A   9          2HO*        A   9  34.782  30.740-107.973
   95    H1*    A   9           H1*        A   9  32.782  31.958-107.554
   96    H8     A   9           H8         A   9  31.798  33.296-104.424
   97   1H6     A   9          1H6         A   9  31.913  39.051-106.618
   98   2H6     A   9          2H6         A   9  31.358  38.026-105.314
   99    H2     A   9           H2         A   9  34.123  36.404-109.506
  100   1H5*    A  10          1H5*        A  10  40.082  31.161-107.826
  101   2H5*    A  10          2H5*        A  10  38.402  30.555-107.931
  102    H4*    A  10           H4*        A  10  38.818  31.415-110.075
  103    H3*    A  10           H3*        A  10  40.386  33.514-108.630
  104   1H2*    A  10          1H2*        A  10  39.784  35.189-110.083
  105   2HO*    A  10          2HO*        A  10  38.917  34.728-112.165
  106    H1*    A  10           H1*        A  10  37.221  34.415-110.676
  107    H8     A  10           H8         A  10  37.581  34.229-106.963
  108   1H6     A  10          1H6         A  10  37.200  40.369-106.786
  109   2H6     A  10          2H6         A  10  37.140  38.902-105.838
  110    H2     A  10           H2         A  10  37.841  39.125-111.056
  111   1H5*    C  11          1H5*        C  11  43.536  34.463-112.514
  112   2H5*    C  11          2H5*        C  11  41.809  33.997-112.506
  113    H4*    C  11           H4*        C  11  42.029  36.205-113.479
  114    H3*    C  11           H3*        C  11  43.727  36.688-111.060
  115   1H2*    C  11          1H2*        C  11  42.904  38.801-110.703
  116   2HO*    C  11          2HO*        C  11  41.861  39.988-112.367
  117    H1*    C  11           H1*        C  11  40.330  38.468-111.637
  118   1H4     C  11          1H4         C  11  40.783  37.256-105.137
  119   2H4     C  11          2H4         C  11  39.923  38.769-105.313
  120    H5     C  11           H5         C  11  41.682  36.025-106.999
  121    H6     C  11           H6         C  11  41.977  35.990-109.431
  122   1H5*    U  12          1H5*        U  12  45.756  40.611-114.152
  123   2H5*    U  12          2H5*        U  12  44.102  39.939-114.244
  124    H4*    U  12           H4*        U  12  44.046  42.388-114.145
  125    H3*    U  12           H3*        U  12  45.787  41.906-111.761
  126   1H2*    U  12          1H2*        U  12  44.756  43.500-110.474
  127   2HO*    U  12          2HO*        U  12  44.958  45.159-112.043
  128    H1*    U  12           H1*        U  12  42.174  43.341-111.551
  129    H3     U  12           H3         U  12  41.001  42.087-107.433
  130    H5     U  12           H5         U  12  44.260  39.546-108.265
  131    H6     U  12           H6         U  12  44.482  40.647-110.418
  132   1H5*    C  13          1H5*        C  13  47.774  46.754-112.427
  133   2H5*    C  13          2H5*        C  13  46.299  45.906-112.873
  134    H4*    C  13           H4*        C  13  45.716  47.609-111.282
  135    H3*    C  13           H3*        C  13  48.110  46.541-109.827
  136   1H2*    C  13          1H2*        C  13  47.125  46.807-107.735
  137   2HO*    C  13          2HO*        C  13  45.372  48.529-109.121
  138    H1*    C  13           H1*        C  13  44.674  45.930-108.297
  139   1H4     C  13          1H4         C  13  47.340  40.491-106.531
  140   2H4     C  13          2H4         C  13  47.873  40.231-108.177
  141    H5     C  13           H5         C  13  47.807  41.943-109.868
  142    H6     C  13           H6         C  13  47.053  44.211-110.396
  143   1H5*    U  14          1H5*        U  14  49.355  50.778-107.312
  144   2H5*    U  14          2H5*        U  14  47.763  50.267-107.853
  145    H4*    U  14           H4*        U  14  47.614  50.197-105.519
  146    H3*    U  14           H3*        U  14  50.388  49.013-105.614
  147   1H2*    U  14          1H2*        U  14  49.983  47.909-103.600
  148   2HO*    U  14          2HO*        U  14  47.741  49.657-103.355
  149    H1*    U  14           H1*        U  14  47.344  47.269-104.105
  150    H3     U  14           H3         U  14  49.686  43.408-103.617
  151    H5     U  14           H5         U  14  50.282  44.555-107.625
  152    H6     U  14           H6         U  14  49.265  46.684-107.103
  153   1H5*    C  15          1H5*        C  15  52.320  51.932-101.674
  154   2H5*    C  15          2H5*        C  15  50.684  51.623-102.250
  155    H4*    C  15           H4*        C  15  50.984  50.303-100.281
  156    H3*    C  15           H3*        C  15  53.646  49.717-101.522
  157   1H2*    C  15          1H2*        C  15  53.660  47.519-100.857
  158   2HO*    C  15          2HO*        C  15  52.243  46.758 -99.197
  159    H1*    C  15           H1*        C  15  50.987  46.966-101.012
  160   1H4     C  15          1H4         C  15  53.008  44.134-106.239
  161   2H4     C  15          2H4         C  15  52.847  45.646-107.108
  162    H5     C  15           H5         C  15  52.641  47.792-105.990
  163    H6     C  15           H6         C  15  52.065  48.880-103.880
  164   1H5*    C  16          1H5*        C  16  55.531  48.649 -96.836
  165   2H5*    C  16          2H5*        C  16  53.965  48.834 -97.615
  166    H4*    C  16           H4*        C  16  54.277  46.503 -97.254
  167    H3*    C  16           H3*        C  16  57.028  47.032 -98.341
  168   1H2*    C  16          1H2*        C  16  57.091  44.973 -99.353
  169   2HO*    C  16          2HO*        C  16  55.235  44.250 -97.358
  170    H1*    C  16           H1*        C  16  54.381  44.616 -99.787
  171   1H4     C  16          1H4         C  16  56.668  46.656-105.535
  172   2H4     C  16          2H4         C  16  56.801  44.911-105.573
  173    H5     C  16           H5         C  16  56.140  47.895-103.529
  174    H6     C  16           H6         C  16  55.633  47.706-101.131
  175   1H5*    C  17          1H5*        C  17  58.381  42.682 -95.384
  176   2H5*    C  17          2H5*        C  17  56.804  43.323 -95.821
  177    H4*    C  17           H4*        C  17  56.788  41.198 -96.784
  178    H3*    C  17           H3*        C  17  59.691  41.732 -97.274
  179   1H2*    C  17          1H2*        C  17  59.747  40.511 -99.227
  180   2HO*    C  17          2HO*        C  17  57.816  39.144 -99.735
  181    H1*    C  17           H1*        C  17  57.194  41.063-100.138
  182   1H4     C  17          1H4         C  17  60.638  46.038-102.610
  183   2H4     C  17          2H4         C  17  60.647  44.801-103.849
  184    H5     C  17           H5         C  17  59.787  45.672-100.379
  185    H6     C  17           H6         C  17  58.870  44.000 -98.834
  186   1H5*    C  18          1H5*        C  18  62.001  37.678 -96.725
  187   2H5*    C  18          2H5*        C  18  60.353  38.111 -97.162
  188    H4*    C  18           H4*        C  18  61.482  37.907 -99.213
  189    H3*    C  18           H3*        C  18  63.733  39.327 -97.806
  190   1H2*    C  18          1H2*        C  18  64.397  40.369 -99.765
  191   2HO*    C  18          2HO*        C  18  63.770  39.528-101.821
  192    H1*    C  18           H1*        C  18  61.878  40.448-101.024
  193   1H4     C  18          1H4         C  18  63.169  46.523-100.154
  194   2H4     C  18          2H4         C  18  62.340  46.456 -98.613
  195    H5     C  18           H5         C  18  61.729  44.386 -97.535
  196    H6     C  18           H6         C  18  61.611  41.945 -97.792
  197   1H5*    C  19          1H5*        C  19  66.391  35.863-101.106
  198   2H5*    C  19          2H5*        C  19  64.797  36.566-100.865
  199    H4*    C  19           H4*        C  19  65.449  37.209-103.047
  200    H3*    C  19           H3*        C  19  68.115  37.719-101.760
  201   1H2*    C  19          1H2*        C  19  68.557  39.503-103.143
  202   2HO*    C  19          2HO*        C  19  67.242  39.785-105.110
  203    H1*    C  19           H1*        C  19  65.943  40.335-103.584
  204   1H4     C  19          1H4         C  19  68.407  45.088-100.280
  205   2H4     C  19          2H4         C  19  67.956  44.277 -98.793
  206    H5     C  19           H5         C  19  67.214  41.971 -98.712
  207    H6     C  19           H6         C  19  66.582  40.016-100.056
  208   1H5*    C  20          1H5*        C  20  70.840  35.876-106.046
  209   2H5*    C  20          2H5*        C  20  69.167  36.412-106.076
  210    H4*    C  20           H4*        C  20  70.289  37.776-107.655
  211    H3*    C  20           H3*        C  20  72.449  37.772-105.596
  212   1H2*    C  20          1H2*        C  20  73.093  39.914-105.962
  213   2HO*    C  20          2HO*        C  20  72.231  41.036-107.920
  214    H1*    C  20           H1*        C  20  70.688  41.034-106.569
  215   1H4     C  20          1H4         C  20  71.545  42.885-100.629
  216   2H4     C  20          2H4         C  20  70.836  41.383-100.071
  217    H5     C  20           H5         C  20  70.443  39.499-101.530
  218    H6     C  20           H6         C  20  70.377  38.748-103.865
  219   1H5*    C  21          1H5*        C  21  75.923  37.907-108.665
  220   2H5*    C  21          2H5*        C  21  74.707  38.993-107.932
  221    H4*    C  21           H4*        C  21  77.020  39.892-107.818
  222    H3*    C  21           H3*        C  21  77.445  37.301-106.371
  223   1H2*    C  21          1H2*        C  21  78.780  38.267-104.766
  224   2HO*    C  21          2HO*        C  21  79.198  40.372-106.637
  225    H1*    C  21           H1*        C  21  77.679  40.871-104.846
  226   1H4     C  21          1H4         C  21  76.733  38.027 -99.180
  227   2H4     C  21          2H4         C  21  75.026  38.110 -99.558
  228    H5     C  21           H5         C  21  74.191  38.751-101.713
  229    H6     C  21           H6         C  21  74.775  39.468-103.984
  230   1H5*    U  22          1H5*        U  22  81.726  37.927-108.675
  231   2H5*    U  22          2H5*        U  22  82.532  39.512-108.877
  232    H4*    U  22           H4*        U  22  83.353  39.393-106.563
  233    H3*    U  22           H3*        U  22  84.234  37.838-108.730
  234   1H2*    U  22          1H2*        U  22  83.614  35.770-108.041
  235   2HO*    U  22          2HO*        U  22  85.176  34.831-106.628
  236    H1*    U  22           H1*        U  22  83.720  36.330-105.119
  237    H3     U  22           H3         U  22  82.302  31.955-106.313
  238    H5     U  22           H5         U  22  78.945  34.469-105.893
  239    H6     U  22           H6         U  22  80.453  36.367-105.854
  240   1H5*    U  23          1H5*        U  23  87.555  35.664-108.018
  241   2H5*    U  23          2H5*        U  23  88.885  36.612-108.747
  242    H4*    U  23           H4*        U  23  89.740  34.753-107.357
  243    H3*    U  23           H3*        U  23  87.940  36.030-105.354
  244   1H2*    U  23          1H2*        U  23  89.408  35.962-103.648
  245   2HO*    U  23          2HO*        U  23  91.155  34.462-103.601
  246    H1*    U  23           H1*        U  23  91.808  36.064-105.034
  247    H3     U  23           H3         U  23  92.269  39.695-102.442
  248    H5     U  23           H5         U  23  88.811  40.559-104.694
  249    H6     U  23           H6         U  23  88.973  38.341-105.669
  250   1H5*    U  24          1H5*        U  24  86.944  30.681-104.308
  251   2H5*    U  24          2H5*        U  24  88.388  31.578-104.857
  252    H4*    U  24           H4*        U  24  88.806  29.998-102.955
  253    H3*    U  24           H3*        U  24  86.852  31.860-101.646
  254   1H2*    U  24          1H2*        U  24  87.982  31.778 -99.653
  255   2HO*    U  24          2HO*        U  24  89.334  29.456-100.604
  256    H1*    U  24           H1*        U  24  90.547  31.449-100.705
  257    H3     U  24           H3         U  24  90.495  35.016 -97.881
  258    H5     U  24           H5         U  24  88.701  36.425-101.418
  259    H6     U  24           H6         U  24  88.780  34.149-102.295
  260   1H5*    U  25          1H5*        U  25  83.434  29.064 -99.361
  261   2H5*    U  25          2H5*        U  25  85.146  28.680 -99.446
  262    H4*    U  25           H4*        U  25  84.640  29.316 -97.194
  263    H3*    U  25           H3*        U  25  83.343  31.721 -98.475
  264   1H2*    U  25          1H2*        U  25  83.867  32.981 -96.568
  265   2HO*    U  25          2HO*        U  25  84.707  31.934 -94.676
  266    H1*    U  25           H1*        U  25  86.330  31.928 -96.153
  267    H3     U  25           H3         U  25  86.812  36.330 -97.139
  268    H5     U  25           H5         U  25  86.702  34.345-100.854
  269    H6     U  25           H6         U  25  86.012  32.335 -99.689
  270   1H5*    C  26          1H5*        C  26  79.070  31.880 -95.564
  271   2H5*    C  26          2H5*        C  26  80.654  31.168 -95.291
  272    H4*    C  26           H4*        C  26  80.542  33.071 -93.888
  273    H3*    C  26           H3*        C  26  79.387  34.429 -96.314
  274   1H2*    C  26          1H2*        C  26  80.342  36.438 -95.708
  275   2HO*    C  26          2HO*        C  26  80.410  35.323 -93.101
  276    H1*    C  26           H1*        C  26  82.594  35.433 -94.428
  277   1H4     C  26          1H4         C  26  84.912  38.250 -99.559
  278   2H4     C  26          2H4         C  26  84.719  36.758-100.453
  279    H5     C  26           H5         C  26  83.451  34.877 -99.624
  280    H6     C  26           H6         C  26  82.260  33.956 -97.694
  281   1H5*    C  27          1H5*        C  27  76.145  37.035 -92.888
  282   2H5*    C  27          2H5*        C  27  77.574  36.008 -92.818
  283    H4*    C  27           H4*        C  27  78.279  38.219 -92.270
  284    H3*    C  27           H3*        C  27  76.646  39.004 -94.678
  285   1H2*    C  27          1H2*        C  27  78.103  40.707 -95.203
  286   2HO*    C  27          2HO*        C  27  78.838  40.550 -92.465
  287    H1*    C  27           H1*        C  27  80.449  39.510 -94.237
  288   1H4     C  27          1H4         C  27  81.176  39.594-100.497
  289   2H4     C  27          2H4         C  27  80.446  38.006-100.584
  290    H5     C  27           H5         C  27  79.277  36.989 -98.728
  291    H6     C  27           H6         C  27  78.737  37.194 -96.344
  292   1H5*    G  28          1H5*        G  28  74.873  43.546 -92.498
  293   2H5*    G  28          2H5*        G  28  76.259  42.579 -92.014
  294    H4*    G  28           H4*        G  28  77.185  44.626 -92.709
  295    H3*    G  28           H3*        G  28  75.089  44.492 -94.852
  296   1H2*    G  28          1H2*        G  28  76.427  45.503 -96.428
  297   2HO*    G  28          2HO*        G  28  78.443  46.564 -95.711
  298    H1*    G  28           H1*        G  28  78.877  44.512 -95.629
  299    H8     G  28           H8         G  28  76.354  41.731 -95.913
  300    H1     G  28           H1         G  28  78.993  43.362-101.477
  301   1H2     G  28          1H2         G  28  79.991  46.253 -99.810
  302   2H2     G  28          2H2         G  28  79.975  45.344-101.305
  303   1H5*    A  29          1H5*        A  29  74.949  49.746 -95.007
  304   2H5*    A  29          2H5*        A  29  76.137  48.591 -94.421
  305    H4*    A  29           H4*        A  29  77.201  49.695 -96.207
  306    H3*    A  29           H3*        A  29  74.549  49.400 -97.607
  307   1H2*    A  29          1H2*        A  29  75.622  49.381 -99.668
  308   2HO*    A  29          2HO*        A  29  77.895  49.997 -99.794
  309    H1*    A  29           H1*        A  29  77.930  48.053 -98.832
  310    H8     A  29           H8         A  29  74.907  46.092 -97.789
  311   1H6     A  29          1H6         A  29  75.201  43.418-103.347
  312   2H6     A  29          2H6         A  29  74.570  43.276-101.719
  313    H2     A  29           H2         A  29  77.726  47.137-103.437
  314   1H5*    G  30          1H5*        G  30  73.946  53.274-100.385
  315   2H5*    G  30          2H5*        G  30  75.457  52.585 -99.810
  316    H4*    G  30           H4*        G  30  75.269  51.990-102.104
  317    H3*    G  30           H3*        G  30  72.438  51.273-101.368
  318   1H2*    G  30          1H2*        G  30  72.401  49.588-102.967
  319   2HO*    G  30          2HO*        G  30  74.733  50.848-104.019
  320    H1*    G  30           H1*        G  30  74.968  48.693-102.639
  321    H8     G  30           H8         G  30  73.273  49.184 -99.275
  322    H1     G  30           H1         G  30  71.858  43.698-102.171
  323   1H2     G  30          1H2         G  30  73.127  45.247-105.015
  324   2H2     G  30          2H2         G  30  72.397  43.821-104.316
  325   1H5*    G  31          1H5*        G  31  70.655  53.491-105.993
  326   2H5*    G  31          2H5*        G  31  72.253  52.957-105.483
  327    H4*    G  31           H4*        G  31  71.611  51.582-107.334
  328    H3*    G  31           H3*        G  31  68.999  51.498-105.874
  329   1H2*    G  31          1H2*        G  31  68.577  49.288-106.442
  330   2HO*    G  31          2HO*        G  31  70.096  48.238-108.015
  331    H1*    G  31           H1*        G  31  71.108  48.297-106.191
  332    H8     G  31           H8         G  31  70.351  50.742-103.408
  333    H1     G  31           H1         G  31  68.349  44.823-102.153
  334   1H2     G  31          1H2         G  31  68.721  44.258-105.545
  335   2H2     G  31          2H2         G  31  68.263  43.631-103.982
  336   1H5*    G  32          1H5*        G  32  67.416  49.612-110.180
  337   2H5*    G  32          2H5*        G  32  68.779  50.054-109.163
  338    H4*    G  32           H4*        G  32  68.616  47.801-108.753
  339    H3*    G  32           H3*        G  32  65.642  48.168-109.008
  340   1H2*    G  32          1H2*        G  32  65.271  46.326-107.637
  341   2HO*    G  32          2HO*        G  32  66.791  44.681-107.441
  342    H1*    G  32           H1*        G  32  67.723  46.496-106.211
  343    H8     G  32           H8         G  32  65.865  49.590-105.478
  344    H1     G  32           H1         G  32  63.860  44.613-102.052
  345   1H2     G  32          1H2         G  32  65.342  42.682-104.537
  346   2H2     G  32          2H2         G  32  64.441  42.722-103.037
  347   1H5*    U  33          1H5*        U  33  63.658  46.332-112.778
  348   2H5*    U  33          2H5*        U  33  64.188  48.040-112.911
  349    H4*    U  33           H4*        U  33  63.627  46.444-115.031
  350    H3*    U  33           H3*        U  33  66.121  45.492-114.102
  351   1H2*    U  33          1H2*        U  33  67.478  47.141-114.901
  352   2HO*    U  33          2HO*        U  33  68.073  46.774-117.069
  353    H1*    U  33           H1*        U  33  65.686  47.945-117.140
  354    H3     U  33           H3         U  33  68.338  51.471-117.810
  355    H5     U  33           H5         U  33  68.090  51.295-113.606
  356    H6     U  33           H6         U  33  66.740  49.290-113.836
  357   1H5*    C  34          1H5*        C  34  67.867  41.748-116.714
  358   2H5*    C  34          2H5*        C  34  67.715  43.199-117.747
  359    H4*    C  34           H4*        C  34  70.055  42.548-117.558
  360    H3*    C  34           H3*        C  34  69.424  42.543-114.628
  361   1H2*    C  34          1H2*        C  34  71.448  43.479-114.038
  362   2HO*    C  34          2HO*        C  34  72.390  42.841-116.658
  363    H1*    C  34           H1*        C  34  71.796  45.187-116.173
  364   1H4     C  34          1H4         C  34  68.410  47.462-110.911
  365   2H4     C  34          2H4         C  34  69.726  48.580-111.189
  366    H5     C  34           H5         C  34  67.974  45.541-112.364
  367    H6     C  34           H6         C  34  68.761  44.266-114.261
  368   1H5*    A  35          1H5*        A  35  73.605  40.243-114.120
  369   2H5*    A  35          2H5*        A  35  72.729  41.514-115.005
  370    H4*    A  35           H4*        A  35  74.364  42.719-113.959
  371    H3*    A  35           H3*        A  35  74.565  40.505-112.221
  372   1H2*    A  35          1H2*        A  35  73.463  41.339-110.408
  373   2HO*    A  35          2HO*        A  35  75.709  43.108-110.398
  374    H1*    A  35           H1*        A  35  73.912  44.192-111.143
  375    H8     A  35           H8         A  35  70.634  43.377-111.816
  376   1H6     A  35          1H6         A  35  68.437  44.599-107.715
  377   2H6     A  35          2H6         A  35  68.990  44.721-106.064
  378    H2     A  35           H2         A  35  73.377  43.745-106.075
  379   1H5*    U  36          1H5*        U  36  79.638  42.998-112.005
  380   2H5*    U  36          2H5*        U  36  78.033  43.484-112.526
  381    H4*    U  36           H4*        U  36  78.863  45.321-111.322
  382    H3*    U  36           H3*        U  36  79.885  43.252-109.393
  383   1H2*    U  36          1H2*        U  36  79.664  44.708-107.623
  384   2HO*    U  36          2HO*        U  36  79.823  46.698-109.626
  385    H1*    U  36           H1*        U  36  77.442  46.109-108.547
  386    H3     U  36           H3         U  36  76.525  44.440-104.434
  387    H5     U  36           H5         U  36  75.652  41.373-107.184
  388    H6     U  36           H6         U  36  76.778  42.650-108.891
  389   1H5*    C  37          1H5*        C  37  84.174  46.165-108.677
  390   2H5*    C  37          2H5*        C  37  82.560  46.350-109.351
  391    H4*    C  37           H4*        C  37  82.579  47.538-107.298
  392    H3*    C  37           H3*        C  37  83.845  45.047-106.149
  393   1H2*    C  37          1H2*        C  37  82.879  45.532-104.101
  394   2HO*    C  37          2HO*        C  37  82.023  47.655-103.672
  395    H1*    C  37           H1*        C  37  80.580  46.781-105.107
  396   1H4     C  37          1H4         C  37  78.685  41.539-102.162
  397   2H4     C  37          2H4         C  37  78.753  40.681-103.685
  398    H5     C  37           H5         C  37  79.794  41.590-105.667
  399    H6     C  37           H6         C  37  80.817  43.580-106.656
  400   1H5*    G  38          1H5*        G  38  87.479  47.698-103.152
  401   2H5*    G  38          2H5*        G  38  86.072  48.461-103.878
  402    H4*    G  38           H4*        G  38  85.700  48.824-101.618
  403    H3*    G  38           H3*        G  38  87.065  46.175-101.261
  404   1H2*    G  38          1H2*        G  38  85.829  45.623 -99.399
  405   2HO*    G  38          2HO*        G  38  85.302  48.415 -99.225
  406    H1*    G  38           H1*        G  38  83.436  46.816-100.076
  407    H8     G  38           H8         G  38  84.808  44.739-102.923
  408    H1     G  38           H1         G  38  81.598  41.345 -98.589
  409   1H2     G  38          1H2         G  38  82.023  44.130 -96.543
  410   2H2     G  38          2H2         G  38  81.393  42.507 -96.713
  411   1H5*    G  39          1H5*        G  39  89.045  47.815 -96.626
  412   2H5*    G  39          2H5*        G  39  87.706  48.388 -97.611
  413    H4*    G  39           H4*        G  39  86.733  47.604 -95.602
  414    H3*    G  39           H3*        G  39  88.591  45.256 -95.947
  415   1H2*    G  39          1H2*        G  39  87.082  43.860 -94.859
  416   2HO*    G  39          2HO*        G  39  85.891  46.287 -93.972
  417    H1*    G  39           H1*        G  39  84.792  44.913 -95.946
  418    H8     G  39           H8         G  39  87.361  44.477 -98.658
  419    H1     G  39           H1         G  39  84.325  39.071 -97.185
  420   1H2     G  39          1H2         G  39  83.319  39.270 -95.223
  421   2H2     G  39          2H2         G  39  83.383  40.744 -94.282
  422   1H5*    A  40          1H5*        A  40  90.223  44.556 -91.052
  423   2H5*    A  40          2H5*        A  40  88.751  45.396 -91.522
  424    H4*    A  40           H4*        A  40  87.890  43.498 -90.518
  425    H3*    A  40           H3*        A  40  90.354  42.157 -91.577
  426   1H2*    A  40          1H2*        A  40  89.298  40.136 -91.859
  427   2HO*    A  40          2HO*        A  40  87.300  39.690 -90.727
  428    H1*    A  40           H1*        A  40  86.698  41.064 -92.282
  429    H8     A  40           H8         A  40  89.043  42.512 -94.833
  430   1H6     A  40          1H6         A  40  87.753  37.518 -98.199
  431   2H6     A  40          2H6         A  40  88.346  39.163 -98.244
  432    H2     A  40           H2         A  40  86.513  36.697 -93.953
  433   1H5*    A  41          1H5*        A  41  89.087  39.335 -87.124
  434   2H5*    A  41          2H5*        A  41  88.180  40.403 -88.235
  435    H4*    A  41           H4*        A  41  86.944  38.342 -87.976
  436    H3*    A  41           H3*        A  41  89.627  37.097 -88.421
  437   1H2*    A  41          1H2*        A  41  88.835  35.410 -89.760
  438   2HO*    A  41          2HO*        A  41  86.221  36.004 -88.783
  439    H1*    A  41           H1*        A  41  86.818  36.734 -91.054
  440    H8     A  41           H8         A  41  90.173  38.517 -90.681
  441   1H6     A  41          1H6         A  41  92.313  36.959 -94.716
  442   2H6     A  41          2H6         A  41  91.867  35.774 -95.923
  443    H2     A  41           H2         A  41  87.886  34.097 -94.694
  444   1H5*    C  42          1H5*        C  42  88.497  32.993 -85.895
  445   2H5*    C  42          2H5*        C  42  87.697  33.582 -87.383
  446    H4*    C  42           H4*        C  42  88.444  31.177 -87.468
  447    H3*    C  42           H3*        C  42  91.066  32.533 -87.006
  448   1H2*    C  42          1H2*        C  42  92.162  31.363 -88.611
  449   2HO*    C  42          2HO*        C  42  91.440  29.305 -89.324
  450    H1*    C  42           H1*        C  42  90.076  30.769 -90.306
  451   1H4     C  42          1H4         C  42  93.775  34.752 -93.556
  452   2H4     C  42          2H4         C  42  93.578  36.004 -92.349
  453    H5     C  42           H5         C  42  92.298  35.703 -90.334
  454    H6     C  42           H6         C  42  90.935  34.136 -89.032
  455   1H5*    C  43          1H5*        C  43  92.419  27.757 -85.953
  456   2H5*    C  43          2H5*        C  43  91.504  28.590 -87.244
  457    H4*    C  43           H4*        C  43  93.246  26.992 -88.090
  458    H3*    C  43           H3*        C  43  94.957  28.832 -86.469
  459   1H2*    C  43          1H2*        C  43  96.606  28.999 -88.040
  460   2HO*    C  43          2HO*        C  43  95.503  26.687 -89.301
  461    H1*    C  43           H1*        C  43  95.071  28.877 -90.340
  462   1H4     C  43          1H4         C  43  96.754  34.939 -89.299
  463   2H4     C  43          2H4         C  43  95.582  35.071 -88.008
  464    H5     C  43           H5         C  43  94.245  33.223 -87.244
  465    H6     C  43           H6         C  43  93.697  30.839 -87.596
  466   1H5*    A  44          1H5*        A  44  96.342  23.533 -84.672
  467   2H5*    A  44          2H5*        A  44  95.838  24.293 -86.210
  468    H4*    A  44           H4*        A  44  98.050  23.312 -86.464
  469    H3*    A  44           H3*        A  44  98.456  24.493 -83.822
  470   1H2*    A  44          1H2*        A  44  99.911  26.082 -84.352
  471   2HO*    A  44          2HO*        A  44 101.339  24.061 -85.775
  472    H1*    A  44           H1*        A  44 100.294  25.411 -87.201
  473    H8     A  44           H8         A  44  97.609  27.848 -86.325
  474   1H6     A  44          1H6         A  44 100.104  31.982 -86.543
  475   2H6     A  44          2H6         A  44 101.810  32.341 -86.683
  476    H2     A  44           H2         A  44 103.964  28.399 -86.832
  477    H3T    A  44           H3T        A  44  98.868  22.299 -84.457
   
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  63.490  39.675-111.670
    2   2H5*    G   1          2H5*        G   1  63.827  40.729-110.275
    3    H4*    G   1           H4*        G   1  64.061  38.020-110.242
    4    H3*    G   1           H3*        G   1  61.214  38.707-109.731
    5   1H2*    G   1          1H2*        G   1  61.047  37.572-107.698
    6   2HO*    G   1          2HO*        G   1  62.456  35.981-107.094
    7    H1*    G   1           H1*        G   1  63.410  38.183-106.632
    8    H8     G   1           H8         G   1  62.565  41.268-108.496
    9    H1     G   1           H1         G   1  59.972  41.081-102.684
   10   1H2     G   1          1H2         G   1  60.557  37.659-102.828
   11   2H2     G   1          2H2         G   1  59.928  39.017-101.915
   12    H5T    G   1           H5T        G   1  61.590  40.560-109.746
   13   1H5*    G   2          1H5*        G   2  58.754  34.855-109.692
   14   2H5*    G   2          2H5*        G   2  60.397  35.255-109.215
   15    H4*    G   2           H4*        G   2  59.151  35.223-107.217
   16    H3*    G   2           H3*        G   2  57.093  36.804-108.754
   17   1H2*    G   2          1H2*        G   2  56.450  37.854-106.792
   18   2HO*    G   2          2HO*        G   2  57.640  35.625-105.480
   19    H1*    G   2           H1*        G   2  58.924  37.729-105.489
   20    H8     G   2           H8         G   2  59.175  39.674-108.676
   21    H1     G   2           H1         G   2  56.567  42.971-103.893
   22   1H2     G   2          1H2         G   2  56.151  39.852-102.398
   23   2H2     G   2          2H2         G   2  55.922  41.582-102.288
   24   1H5*    G   3          1H5*        G   3  53.427  33.506-106.304
   25   2H5*    G   3          2H5*        G   3  55.152  33.832-106.162
   26    H4*    G   3           H4*        G   3  54.182  34.606-104.136
   27    H3*    G   3           H3*        G   3  52.051  35.627-105.967
   28   1H2*    G   3          1H2*        G   3  51.730  37.571-104.795
   29   2HO*    G   3          2HO*        G   3  52.517  37.708-102.554
   30    H1*    G   3           H1*        G   3  54.264  37.846-103.676
   31    H8     G   3           H8         G   3  54.407  37.701-107.424
   32    H1     G   3           H1         G   3  53.034  43.469-105.096
   33   1H2     G   3          1H2         G   3  52.257  41.752-102.170
   34   2H2     G   3          2H2         G   3  52.348  43.291-102.996
   35   1H5*    A   4          1H5*        A   4  48.649  34.393-101.655
   36   2H5*    A   4          2H5*        A   4  50.406  34.449-101.675
   37    H4*    A   4           H4*        A   4  49.803  35.823 -99.859
   38    H3*    A   4           H3*        A   4  47.557  36.672-101.652
   39   1H2*    A   4          1H2*        A   4  47.553  38.849-100.901
   40   2HO*    A   4          2HO*        A   4  48.952  37.796 -98.661
   41    H1*    A   4           H1*        A   4  50.238  39.207-100.531
   42    H8     A   4           H8         A   4  49.621  37.435-103.772
   43   1H6     A   4          1H6         A   4  49.205  43.018-106.328
   44   2H6     A   4          2H6         A   4  49.455  41.315-106.638
   45    H2     A   4           H2         A   4  48.911  43.494-101.867
   46   1H5*    G   5          1H5*        G   5  44.174  37.729 -98.017
   47   2H5*    G   5          2H5*        G   5  45.932  37.657 -98.037
   48    H4*    G   5           H4*        G   5  45.421  39.956 -97.927
   49    H3*    G   5           H3*        G   5  43.254  39.241 -99.868
   50   1H2*    G   5          1H2*        G   5  43.403  41.242-100.994
   51   2HO*    G   5          2HO*        G   5  44.436  42.180 -98.534
   52    H1*    G   5           H1*        G   5  46.128  41.770-100.536
   53    H8     G   5           H8         G   5  45.727  38.422-102.147
   54    H1     G   5           H1         G   5  45.614  43.236-106.321
   55   1H2     G   5          1H2         G   5  45.217  45.155-105.287
   56   2H2     G   5          2H2         G   5  44.990  45.249-103.552
   57   1H5*    C   6          1H5*        C   6  39.547  41.614 -97.591
   58   2H5*    C   6          2H5*        C   6  40.730  42.490 -98.609
   59    H4*    C   6           H4*        C   6  38.380  42.998 -99.230
   60    H3*    C   6           H3*        C   6  38.297  40.017 -99.462
   61   1H2*    C   6          1H2*        C   6  37.137  40.012-101.433
   62   2HO*    C   6          2HO*        C   6  35.920  41.833-102.124
   63    H1*    C   6           H1*        C   6  38.108  42.358-102.558
   64   1H4     C   6          1H4         C   6  40.926  37.658-105.759
   65   2H4     C   6          2H4         C   6  41.734  37.090-104.314
   66    H5     C   6           H5         C   6  41.405  38.074-102.147
   67    H6     C   6           H6         C   6  40.261  39.840-100.890
   68   1H5*    U   7          1H5*        U   7  33.273  39.807 -98.774
   69   2H5*    U   7          2H5*        U   7  34.411  40.883 -99.638
   70    H4*    U   7           H4*        U   7  33.019  39.827-101.284
   71    H3*    U   7           H3*        U   7  33.578  37.372 -99.669
   72   1H2*    U   7          1H2*        U   7  33.811  36.002-101.499
   73   2HO*    U   7          2HO*        U   7  32.384  37.953-103.009
   74    H1*    U   7           H1*        U   7  34.686  37.918-103.370
   75    H3     U   7           H3         U   7  38.020  34.960-103.729
   76    H5     U   7           H5         U   7  38.276  36.168 -99.701
   77    H6     U   7           H6         U   7  36.274  37.487-100.030
   78   1H5*    C   8          1H5*        C   8  32.090  34.498 -99.832
   79   2H5*    C   8          2H5*        C   8  30.498  33.950 -99.223
   80    H4*    C   8           H4*        C   8  31.195  32.490-101.023
   81    H3*    C   8           H3*        C   8  32.113  34.984-102.194
   82   1H2*    C   8          1H2*        C   8  30.722  35.190-103.899
   83   2HO*    C   8          2HO*        C   8  32.033  33.716-105.028
   84    H1*    C   8           H1*        C   8  29.106  32.800-103.632
   85   1H4     C   8          1H4         C   8  24.959  37.364-104.969
   86   2H4     C   8          2H4         C   8  25.792  38.492-103.923
   87    H5     C   8           H5         C   8  27.778  37.901-102.682
   88    H6     C   8           H6         C   8  29.400  36.166-102.194
   89   1H5*    A   9          1H5*        A   9  34.135  31.722-105.688
   90   2H5*    A   9          2H5*        A   9  32.358  31.778-105.500
   91    H4*    A   9           H4*        A   9  33.067  31.539-107.866
   92    H3*    A   9           H3*        A   9  34.559  34.047-107.190
   93   1H2*    A   9          1H2*        A   9  34.050  35.066-109.187
   94   2HO*    A   9          2HO*        A   9  33.329  32.502-110.203
   95    H1*    A   9           H1*        A   9  31.527  34.018-109.604
   96    H8     A   9           H8         A   9  30.994  35.244-106.313
   97   1H6     A   9          1H6         A   9  31.749  41.072-108.146
   98   2H6     A   9          2H6         A   9  31.159  40.037-106.865
   99    H2     A   9           H2         A   9  33.321  38.376-111.379
  100   1H5*    A  10          1H5*        A  10  38.462  33.090-110.572
  101   2H5*    A  10          2H5*        A  10  36.732  32.639-110.592
  102    H4*    A  10           H4*        A  10  36.913  34.129-112.381
  103    H3*    A  10           H3*        A  10  38.897  35.560-110.648
  104   1H2*    A  10          1H2*        A  10  38.303  37.630-111.449
  105   2HO*    A  10          2HO*        A  10  38.466  37.026-113.671
  106    H1*    A  10           H1*        A  10  35.610  37.205-111.881
  107    H8     A  10           H8         A  10  36.371  36.090-108.407
  108   1H6     A  10          1H6         A  10  36.740  42.007-106.754
  109   2H6     A  10          2H6         A  10  36.612  40.361-106.174
  110    H2     A  10           H2         A  10  36.747  41.796-111.245
  111   1H5*    C  11          1H5*        C  11  41.794  37.305-114.582
  112   2H5*    C  11          2H5*        C  11  40.035  36.980-114.570
  113    H4*    C  11           H4*        C  11  40.347  39.335-114.972
  114    H3*    C  11           H3*        C  11  42.321  39.092-112.733
  115   1H2*    C  11          1H2*        C  11  41.732  41.080-111.755
  116   2HO*    C  11          2HO*        C  11  40.603  42.709-112.919
  117    H1*    C  11           H1*        C  11  39.050  41.143-112.366
  118   1H4     C  11          1H4         C  11  40.092  37.999-106.630
  119   2H4     C  11          2H4         C  11  39.389  39.549-106.233
  120    H5     C  11           H5         C  11  40.668  37.345-108.871
  121    H6     C  11           H6         C  11  40.688  38.033-111.221
  122   1H5*    U  12          1H5*        U  12  44.282  43.657-114.933
  123   2H5*    U  12          2H5*        U  12  42.611  43.039-115.093
  124    H4*    U  12           H4*        U  12  42.556  45.359-114.367
  125    H3*    U  12           H3*        U  12  44.546  44.370-112.360
  126   1H2*    U  12          1H2*        U  12  43.663  45.586-110.631
  127   2HO*    U  12          2HO*        U  12  42.333  47.199-112.569
  128    H1*    U  12           H1*        U  12  40.979  45.600-111.410
  129    H3     U  12           H3         U  12  40.324  43.307-107.639
  130    H5     U  12           H5         U  12  43.483  41.188-109.454
  131    H6     U  12           H6         U  12  43.434  42.802-111.268
  132   1H5*    C  13          1H5*        C  13  46.808  49.232-112.468
  133   2H5*    C  13          2H5*        C  13  45.207  48.586-112.811
  134    H4*    C  13           H4*        C  13  45.050  50.073-110.913
  135    H3*    C  13           H3*        C  13  47.437  48.513-109.994
  136   1H2*    C  13          1H2*        C  13  46.748  48.493-107.772
  137   2HO*    C  13          2HO*        C  13  45.040  50.598-108.586
  138    H1*    C  13           H1*        C  13  44.154  48.022-108.121
  139   1H4     C  13          1H4         C  13  46.241  42.084-107.662
  140   2H4     C  13          2H4         C  13  46.569  42.077-109.381
  141    H5     C  13           H5         C  13  46.546  44.067-110.736
  142    H6     C  13           H6         C  13  46.048  46.463-110.768
  143   1H5*    U  14          1H5*        U  14  49.610  52.133-107.093
  144   2H5*    U  14          2H5*        U  14  47.900  51.980-107.481
  145    H4*    U  14           H4*        U  14  47.969  51.549-105.189
  146    H3*    U  14           H3*        U  14  50.563  50.157-105.801
  147   1H2*    U  14          1H2*        U  14  50.239  48.610-104.111
  148   2HO*    U  14          2HO*        U  14  48.433  50.538-103.074
  149    H1*    U  14           H1*        U  14  47.496  48.372-104.267
  150    H3     U  14           H3         U  14  49.178  44.253-105.065
  151    H5     U  14           H5         U  14  49.457  46.282-108.746
  152    H6     U  14           H6         U  14  48.975  48.341-107.573
  153   1H5*    C  15          1H5*        C  15  51.876  51.490-100.883
  154   2H5*    C  15          2H5*        C  15  50.480  51.437-101.956
  155    H4*    C  15           H4*        C  15  50.236  49.624-100.435
  156    H3*    C  15           H3*        C  15  53.151  49.176-101.011
  157   1H2*    C  15          1H2*        C  15  52.930  46.886-100.857
  158   2HO*    C  15          2HO*        C  15  51.029  45.944 -99.874
  159    H1*    C  15           H1*        C  15  50.356  46.650-101.810
  160   1H4     C  15          1H4         C  15  53.744  44.298-106.555
  161   2H4     C  15          2H4         C  15  53.873  45.905-107.240
  162    H5     C  15           H5         C  15  53.302  47.910-106.018
  163    H6     C  15           H6         C  15  52.256  48.787-103.988
  164   1H5*    C  16          1H5*        C  16  53.851  47.202 -96.291
  165   2H5*    C  16          2H5*        C  16  52.505  47.558 -97.366
  166    H4*    C  16           H4*        C  16  52.803  45.192 -97.378
  167    H3*    C  16           H3*        C  16  55.709  45.881 -97.751
  168   1H2*    C  16          1H2*        C  16  56.033  44.015 -99.057
  169   2HO*    C  16          2HO*        C  16  54.444  42.276 -99.034
  170    H1*    C  16           H1*        C  16  53.501  43.823-100.125
  171   1H4     C  16          1H4         C  16  57.042  46.784-104.733
  172   2H4     C  16          2H4         C  16  57.232  45.067-105.026
  173    H5     C  16           H5         C  16  56.010  47.679-102.732
  174    H6     C  16           H6         C  16  54.890  47.099-100.621
  175   1H5*    C  17          1H5*        C  17  57.307  41.932 -94.350
  176   2H5*    C  17          2H5*        C  17  55.719  42.102 -95.085
  177    H4*    C  17           H4*        C  17  56.470  40.011 -95.835
  178    H3*    C  17           H3*        C  17  59.128  41.375 -96.011
  179   1H2*    C  17          1H2*        C  17  59.801  40.159 -97.842
  180   2HO*    C  17          2HO*        C  17  57.875  38.281 -96.941
  181    H1*    C  17           H1*        C  17  57.300  39.763 -99.025
  182   1H4     C  17          1H4         C  17  59.436  45.207-101.927
  183   2H4     C  17          2H4         C  17  60.015  43.896-102.929
  184    H5     C  17           H5         C  17  58.492  44.875 -99.735
  185    H6     C  17           H6         C  17  57.759  43.205 -98.099
  186   1H5*    C  18          1H5*        C  18  61.796  37.221 -94.678
  187   2H5*    C  18          2H5*        C  18  60.173  37.589 -95.254
  188    H4*    C  18           H4*        C  18  61.401  36.921 -97.164
  189    H3*    C  18           H3*        C  18  63.573  38.643 -96.000
  190   1H2*    C  18          1H2*        C  18  64.298  39.313 -98.092
  191   2HO*    C  18          2HO*        C  18  63.252  36.819 -98.841
  192    H1*    C  18           H1*        C  18  61.845  39.051 -99.457
  193   1H4     C  18          1H4         C  18  63.001  45.199 -99.821
  194   2H4     C  18          2H4         C  18  62.079  45.440 -98.352
  195    H5     C  18           H5         C  18  61.433  43.628 -96.890
  196    H6     C  18           H6         C  18  61.342  41.185 -96.637
  197   1H5*    C  19          1H5*        C  19  66.539  34.853 -98.613
  198   2H5*    C  19          2H5*        C  19  64.870  35.407 -98.618
  199    H4*    C  19           H4*        C  19  65.554  35.718-100.835
  200    H3*    C  19           H3*        C  19  68.169  36.505 -99.595
  201   1H2*    C  19          1H2*        C  19  68.640  38.040-101.235
  202   2HO*    C  19          2HO*        C  19  67.426  37.958-103.276
  203    H1*    C  19           H1*        C  19  66.033  38.737-101.919
  204   1H4     C  19          1H4         C  19  68.252  44.021 -99.339
  205   2H4     C  19          2H4         C  19  67.763  43.447 -97.757
  206    H5     C  19           H5         C  19  67.083  41.162 -97.330
  207    H6     C  19           H6         C  19  66.545  39.002 -98.362
  208   1H5*    C  20          1H5*        C  20  71.006  34.190-103.592
  209   2H5*    C  20          2H5*        C  20  69.306  34.610-103.744
  210    H4*    C  20           H4*        C  20  70.332  35.766-105.515
  211    H3*    C  20           H3*        C  20  72.543  36.128-103.548
  212   1H2*    C  20          1H2*        C  20  73.131  38.199-104.260
  213   2HO*    C  20          2HO*        C  20  72.223  38.982-106.349
  214    H1*    C  20           H1*        C  20  70.686  39.159-104.990
  215   1H4     C  20          1H4         C  20  71.577  42.008 -99.467
  216   2H4     C  20          2H4         C  20  70.925  40.603 -98.651
  217    H5     C  20           H5         C  20  70.561  38.491 -99.761
  218    H6     C  20           H6         C  20  70.505  37.348-101.933
  219   1H5*    C  21          1H5*        C  21  75.853  35.935-106.821
  220   2H5*    C  21          2H5*        C  21  74.641  37.077-106.170
  221    H4*    C  21           H4*        C  21  76.893  38.088-106.369
  222    H3*    C  21           H3*        C  21  77.587  35.723-104.677
  223   1H2*    C  21          1H2*        C  21  78.957  36.914-103.276
  224   2HO*    C  21          2HO*        C  21  79.158  38.794-105.402
  225    H1*    C  21           H1*        C  21  77.724  39.440-103.523
  226   1H4     C  21          1H4         C  21  77.155  37.046 -97.593
  227   2H4     C  21          2H4         C  21  75.432  37.047 -97.893
  228    H5     C  21           H5         C  21  74.476  37.481-100.051
  229    H6     C  21           H6         C  21  74.932  38.038-102.396
  230   1H5*    U  22          1H5*        U  22  81.669  37.396-108.179
  231   2H5*    U  22          2H5*        U  22  82.031  39.087-107.717
  232    H4*    U  22           H4*        U  22  83.193  38.262-105.692
  233    H3*    U  22           H3*        U  22  84.096  38.126-108.359
  234   1H2*    U  22          1H2*        U  22  84.204  35.884-108.644
  235   2HO*    U  22          2HO*        U  22  86.162  34.990-107.766
  236    H1*    U  22           H1*        U  22  84.591  35.182-105.779
  237    H3     U  22           H3         U  22  84.314  31.503-108.767
  238    H5     U  22           H5         U  22  80.475  32.404-107.280
  239    H6     U  22           H6         U  22  81.371  34.480-106.407
  240   1H5*    U  23          1H5*        U  23  87.391  36.265-107.711
  241   2H5*    U  23          2H5*        U  23  88.733  37.089-108.563
  242    H4*    U  23           H4*        U  23  89.513  35.190-107.151
  243    H3*    U  23           H3*        U  23  88.030  36.754-105.100
  244   1H2*    U  23          1H2*        U  23  89.635  36.644-103.512
  245   2HO*    U  23          2HO*        U  23  90.723  34.390-104.863
  246    H1*    U  23           H1*        U  23  91.894  36.391-105.094
  247    H3     U  23           H3         U  23  92.992  40.095-102.816
  248    H5     U  23           H5         U  23  89.444  41.208-104.804
  249    H6     U  23           H6         U  23  89.276  38.932-105.635
  250   1H5*    U  24          1H5*        U  24  86.895  31.576-103.734
  251   2H5*    U  24          2H5*        U  24  88.352  32.465-104.265
  252    H4*    U  24           H4*        U  24  88.691  30.903-102.306
  253    H3*    U  24           H3*        U  24  86.729  32.844-101.147
  254   1H2*    U  24          1H2*        U  24  87.802  32.928 -99.128
  255   2HO*    U  24          2HO*        U  24  89.318  31.328 -98.488
  256    H1*    U  24           H1*        U  24  90.397  32.666-100.028
  257    H3     U  24           H3         U  24  89.708  36.561 -97.698
  258    H5     U  24           H5         U  24  88.359  37.342-101.610
  259    H6     U  24           H6         U  24  88.711  34.983-102.133
  260   1H5*    U  25          1H5*        U  25  83.822  29.608 -98.281
  261   2H5*    U  25          2H5*        U  25  85.505  29.353 -98.719
  262    H4*    U  25           H4*        U  25  85.486  29.621 -96.373
  263    H3*    U  25           H3*        U  25  83.667  31.939 -96.920
  264   1H2*    U  25          1H2*        U  25  84.406  32.988 -94.969
  265   2HO*    U  25          2HO*        U  25  85.652  31.864 -93.415
  266    H1*    U  25           H1*        U  25  87.006  32.242 -95.200
  267    H3     U  25           H3         U  25  86.756  36.780 -95.352
  268    H5     U  25           H5         U  25  86.221  35.455 -99.315
  269    H6     U  25           H6         U  25  85.975  33.198 -98.462
  270   1H5*    C  26          1H5*        C  26  80.067  31.215 -92.525
  271   2H5*    C  26          2H5*        C  26  81.551  30.809 -91.725
  272    H4*    C  26           H4*        C  26  81.701  33.027 -91.535
  273    H3*    C  26           H3*        C  26  80.116  33.322 -94.084
  274   1H2*    C  26          1H2*        C  26  80.687  35.606 -93.936
  275   2HO*    C  26          2HO*        C  26  81.672  35.123 -91.303
  276    H1*    C  26           H1*        C  26  83.212  35.148 -92.807
  277   1H4     C  26          1H4         C  26  84.503  37.417 -98.546
  278   2H4     C  26          2H4         C  26  84.090  35.879 -99.281
  279    H5     C  26           H5         C  26  83.051  34.058 -98.054
  280    H6     C  26           H6         C  26  82.313  33.299 -95.839
  281   1H5*    C  27          1H5*        C  27  76.905  36.890 -92.414
  282   2H5*    C  27          2H5*        C  27  76.828  36.992 -90.639
  283    H4*    C  27           H4*        C  27  78.512  38.597 -90.548
  284    H3*    C  27           H3*        C  27  76.852  38.923 -93.033
  285   1H2*    C  27          1H2*        C  27  78.159  40.611 -93.857
  286   2HO*    C  27          2HO*        C  27  79.493  41.879 -92.523
  287    H1*    C  27           H1*        C  27  80.606  39.818 -92.723
  288   1H4     C  27          1H4         C  27  81.452  38.875 -98.881
  289   2H4     C  27          2H4         C  27  80.938  37.216 -98.667
  290    H5     C  27           H5         C  27  79.821  36.429 -96.675
  291    H6     C  27           H6         C  27  79.215  36.992 -94.365
  292   1H5*    G  28          1H5*        G  28  74.888  43.689 -91.635
  293   2H5*    G  28          2H5*        G  28  76.331  42.933 -90.976
  294    H4*    G  28           H4*        G  28  77.145  44.882 -91.980
  295    H3*    G  28           H3*        G  28  75.060  44.322 -94.062
  296   1H2*    G  28          1H2*        G  28  76.336  45.167 -95.783
  297   2HO*    G  28          2HO*        G  28  77.859  46.458 -93.744
  298    H1*    G  28           H1*        G  28  78.839  44.440 -94.886
  299    H8     G  28           H8         G  28  76.425  41.540 -94.715
  300    H1     G  28           H1         G  28  79.008  42.389-100.476
  301   1H2     G  28          1H2         G  28  79.928  45.522 -99.265
  302   2H2     G  28          2H2         G  28  79.935  44.398-100.606
  303   1H5*    A  29          1H5*        A  29  74.786  49.509 -94.935
  304   2H5*    A  29          2H5*        A  29  75.985  48.448 -94.211
  305    H4*    A  29           H4*        A  29  77.023  49.349 -96.133
  306    H3*    A  29           H3*        A  29  74.394  48.761 -97.490
  307   1H2*    A  29          1H2*        A  29  75.503  48.509 -99.526
  308   2HO*    A  29          2HO*        A  29  77.631  49.889 -98.233
  309    H1*    A  29           H1*        A  29  77.800  47.334 -98.501
  310    H8     A  29           H8         A  29  74.774  45.549 -97.171
  311   1H6     A  29          1H6         A  29  75.032  42.106-102.290
  312   2H6     A  29          2H6         A  29  74.397  42.205-100.661
  313    H2     A  29           H2         A  29  77.597  45.745-102.907
  314   1H5*    G  30          1H5*        G  30  73.599  52.232-100.784
  315   2H5*    G  30          2H5*        G  30  75.168  51.744-100.159
  316    H4*    G  30           H4*        G  30  75.052  50.865-102.352
  317    H3*    G  30           H3*        G  30  72.243  50.116-101.578
  318   1H2*    G  30          1H2*        G  30  72.295  48.231-102.939
  319   2HO*    G  30          2HO*        G  30  74.105  47.920-104.411
  320    H1*    G  30           H1*        G  30  74.852  47.449-102.441
  321    H8     G  30           H8         G  30  73.146  48.474 -99.204
  322    H1     G  30           H1         G  30  71.838  42.553-101.126
  323   1H2     G  30          1H2         G  30  73.050  43.631-104.204
  324   2H2     G  30          2H2         G  30  72.358  42.326-103.267
  325   1H5*    G  31          1H5*        G  31  70.518  51.399-106.514
  326   2H5*    G  31          2H5*        G  31  72.103  51.056-105.830
  327    H4*    G  31           H4*        G  31  71.609  49.276-107.336
  328    H3*    G  31           H3*        G  31  68.908  49.420-106.051
  329   1H2*    G  31          1H2*        G  31  68.585  47.119-106.159
  330   2HO*    G  31          2HO*        G  31  70.119  45.819-107.433
  331    H1*    G  31           H1*        G  31  71.149  46.310-105.616
  332    H8     G  31           H8         G  31  70.141  49.131-103.311
  333    H1     G  31           H1         G  31  68.273  43.403-101.234
  334   1H2     G  31          1H2         G  31  68.844  42.334-104.477
  335   2H2     G  31          2H2         G  31  68.320  41.937-102.861
  336   1H5*    G  32          1H5*        G  32  67.771  46.499-109.937
  337   2H5*    G  32          2H5*        G  32  69.026  47.121-108.869
  338    H4*    G  32           H4*        G  32  68.834  44.896-108.219
  339    H3*    G  32           H3*        G  32  65.883  45.267-108.655
  340   1H2*    G  32          1H2*        G  32  65.371  43.772-106.944
  341   2HO*    G  32          2HO*        G  32  67.752  42.635-107.808
  342    H1*    G  32           H1*        G  32  67.747  44.102-105.440
  343    H8     G  32           H8         G  32  65.917  47.346-105.539
  344    H1     G  32           H1         G  32  63.738  43.275-101.153
  345   1H2     G  32          1H2         G  32  65.358  40.851-103.060
  346   2H2     G  32          2H2         G  32  64.380  41.212-101.654
  347   1H5*    U  33          1H5*        U  33  67.528  42.536-112.657
  348   2H5*    U  33          2H5*        U  33  66.441  41.212-112.143
  349    H4*    U  33           H4*        U  33  66.222  41.464-114.524
  350    H3*    U  33           H3*        U  33  66.791  44.161-114.074
  351   1H2*    U  33          1H2*        U  33  64.727  44.957-113.586
  352   2HO*    U  33          2HO*        U  33  63.549  45.492-115.500
  353    H1*    U  33           H1*        U  33  63.196  42.965-115.188
  354    H3     U  33           H3         U  33  60.353  45.917-112.904
  355    H5     U  33           H5         U  33  61.377  42.776-110.285
  356    H6     U  33           H6         U  33  63.074  42.090-111.878
  357   1H5*    C  34          1H5*        C  34  68.976  41.675-116.380
  358   2H5*    C  34          2H5*        C  34  69.718  42.786-117.572
  359    H4*    C  34           H4*        C  34  71.522  41.679-116.442
  360    H3*    C  34           H3*        C  34  69.856  42.198-114.008
  361   1H2*    C  34          1H2*        C  34  71.611  42.768-112.676
  362   2HO*    C  34          2HO*        C  34  73.351  41.573-114.598
  363    H1*    C  34           H1*        C  34  73.230  44.050-114.480
  364   1H4     C  34          1H4         C  34  68.560  47.437-111.180
  365   2H4     C  34          2H4         C  34  70.102  48.101-110.689
  366    H5     C  34           H5         C  34  68.344  45.708-112.887
  367    H6     C  34           H6         C  34  69.548  44.173-114.313
  368   1H5*    A  35          1H5*        A  35  73.363  38.335-112.976
  369   2H5*    A  35          2H5*        A  35  72.752  39.731-113.907
  370    H4*    A  35           H4*        A  35  74.556  40.675-112.877
  371    H3*    A  35           H3*        A  35  74.491  38.465-111.138
  372   1H2*    A  35          1H2*        A  35  73.427  39.369-109.361
  373   2HO*    A  35          2HO*        A  35  75.847  40.889-109.232
  374    H1*    A  35           H1*        A  35  74.148  42.198-109.917
  375    H8     A  35           H8         A  35  70.795  41.386-110.848
  376   1H6     A  35          1H6         A  35  68.407  42.523-106.822
  377   2H6     A  35          2H6         A  35  68.895  42.698-105.156
  378    H2     A  35           H2         A  35  73.328  41.971-105.001
  379   1H5*    U  36          1H5*        U  36  79.715  40.682-110.843
  380   2H5*    U  36          2H5*        U  36  78.136  41.088-111.490
  381    H4*    U  36           H4*        U  36  78.824  43.040-110.423
  382    H3*    U  36           H3*        U  36  79.869  41.215-108.267
  383   1H2*    U  36          1H2*        U  36  79.583  42.872-106.690
  384   2HO*    U  36          2HO*        U  36  79.334  45.081-107.291
  385    H1*    U  36           H1*        U  36  77.346  44.089-107.839
  386    H3     U  36           H3         U  36  76.404  43.026-103.538
  387    H5     U  36           H5         U  36  75.567  39.601-105.838
  388    H6     U  36           H6         U  36  76.738  40.615-107.687
  389   1H5*    C  37          1H5*        C  37  84.100  44.325-108.025
  390   2H5*    C  37          2H5*        C  37  82.478  44.308-108.704
  391    H4*    C  37           H4*        C  37  82.437  45.769-106.827
  392    H3*    C  37           H3*        C  37  83.811  43.511-105.361
  393   1H2*    C  37          1H2*        C  37  82.795  44.205-103.396
  394   2HO*    C  37          2HO*        C  37  81.861  46.328-103.236
  395    H1*    C  37           H1*        C  37  80.465  45.234-104.576
  396   1H4     C  37          1H4         C  37  78.716  40.419-100.907
  397   2H4     C  37          2H4         C  37  78.792  39.363-102.299
  398    H5     C  37           H5         C  37  79.806  40.002-104.392
  399    H6     C  37           H6         C  37  80.768  41.858-105.663
  400   1H5*    G  38          1H5*        G  38  87.117  46.957-102.750
  401   2H5*    G  38          2H5*        G  38  85.671  47.402-103.645
  402    H4*    G  38           H4*        G  38  85.184  48.156-101.497
  403    H3*    G  38           H3*        G  38  86.739  45.743-100.619
  404   1H2*    G  38          1H2*        G  38  85.488  45.447 -98.711
  405   2HO*    G  38          2HO*        G  38  84.687  48.155 -99.103
  406    H1*    G  38           H1*        G  38  83.035  46.256 -99.673
  407    H8     G  38           H8         G  38  84.732  43.835-102.035
  408    H1     G  38           H1         G  38  81.631  41.007 -97.242
  409   1H2     G  38          1H2         G  38  81.681  44.157 -95.759
  410   2H2     G  38          2H2         G  38  81.217  42.475 -95.635
  411   1H5*    G  39          1H5*        G  39  88.699  47.473 -96.402
  412   2H5*    G  39          2H5*        G  39  87.353  47.974 -97.417
  413    H4*    G  39           H4*        G  39  86.267  46.805 -95.742
  414    H3*    G  39           H3*        G  39  88.755  45.152 -95.654
  415   1H2*    G  39          1H2*        G  39  87.570  43.166 -95.239
  416   2HO*    G  39          2HO*        G  39  85.630  43.235 -94.070
  417    H1*    G  39           H1*        G  39  85.013  44.029 -96.045
  418    H8     G  39           H8         G  39  87.087  43.641 -99.101
  419    H1     G  39           H1         G  39  84.543  38.224 -96.895
  420   1H2     G  39          1H2         G  39  83.981  38.476 -94.765
  421   2H2     G  39          2H2         G  39  84.229  39.978 -93.903
  422   1H5*    A  40          1H5*        A  40  90.371  44.996 -91.248
  423   2H5*    A  40          2H5*        A  40  89.588  45.880 -89.939
  424    H4*    A  40           H4*        A  40  88.983  43.916 -89.004
  425    H3*    A  40           H3*        A  40  90.241  42.768 -91.524
  426   1H2*    A  40          1H2*        A  40  89.475  40.627 -90.857
  427   2HO*    A  40          2HO*        A  40  88.271  40.390 -88.905
  428    H1*    A  40           H1*        A  40  86.957  41.430 -90.565
  429    H8     A  40           H8         A  40  88.587  43.568 -93.179
  430   1H6     A  40          1H6         A  40  87.499  38.932 -97.123
  431   2H6     A  40          2H6         A  40  87.846  40.642 -96.986
  432    H2     A  40           H2         A  40  86.937  37.360 -92.945
  433   1H5*    A  41          1H5*        A  41  91.608  39.915 -87.520
  434   2H5*    A  41          2H5*        A  41  90.391  40.998 -88.261
  435    H4*    A  41           H4*        A  41  89.266  38.974 -87.654
  436    H3*    A  41           H3*        A  41  91.672  37.689 -88.879
  437   1H2*    A  41          1H2*        A  41  90.473  35.969 -89.811
  438   2HO*    A  41          2HO*        A  41  88.374  36.580 -87.979
  439    H1*    A  41           H1*        A  41  88.052  37.307 -90.210
  440    H8     A  41           H8         A  41  90.712  39.223 -91.943
  441   1H6     A  41          1H6         A  41  91.229  36.555 -95.942
  442   2H6     A  41          2H6         A  41  90.686  34.953 -96.381
  443    H2     A  41           H2         A  41  88.364  33.364 -92.875
  444   1H5*    C  42          1H5*        C  42  92.070  33.589 -86.504
  445   2H5*    C  42          2H5*        C  42  90.682  34.025 -87.543
  446    H4*    C  42           H4*        C  42  91.906  31.909 -88.188
  447    H3*    C  42           H3*        C  42  94.093  33.918 -88.542
  448   1H2*    C  42          1H2*        C  42  94.743  33.079 -90.562
  449   2HO*    C  42          2HO*        C  42  94.339  30.917 -91.163
  450    H1*    C  42           H1*        C  42  92.361  31.967 -91.401
  451   1H4     C  42          1H4         C  42  93.413  36.675 -95.492
  452   2H4     C  42          2H4         C  42  93.607  37.839 -94.200
  453    H5     C  42           H5         C  42  93.454  37.261 -91.872
  454    H6     C  42           H6         C  42  93.065  35.450 -90.267
  455   1H5*    C  43          1H5*        C  43  96.754  29.514 -88.473
  456   2H5*    C  43          2H5*        C  43  95.215  30.152 -89.127
  457    H4*    C  43           H4*        C  43  96.600  28.955 -90.829
  458    H3*    C  43           H3*        C  43  98.558  31.034 -89.944
  459   1H2*    C  43          1H2*        C  43  99.265  31.548 -92.052
  460   2HO*    C  43          2HO*        C  43  98.078  29.108 -92.941
  461    H1*    C  43           H1*        C  43  96.894  31.204 -93.436
  462   1H4     C  43          1H4         C  43  97.864  37.449 -92.618
  463   2H4     C  43          2H4         C  43  97.385  37.329 -90.939
  464    H5     C  43           H5         C  43  96.854  35.245 -89.862
  465    H6     C  43           H6         C  43  96.612  32.806 -90.181
  466   1H5*    A  44          1H5*        A  44 102.300  28.128 -91.410
  467   2H5*    A  44          2H5*        A  44 100.963  28.944 -92.277
  468    H4*    A  44           H4*        A  44 103.102  29.389 -93.377
  469    H3*    A  44           H3*        A  44 103.985  29.798 -90.624
  470   1H2*    A  44          1H2*        A  44 104.311  31.993 -90.667
  471   2HO*    A  44          2HO*        A  44 105.860  32.825 -92.139
  472    H1*    A  44           H1*        A  44 103.793  32.463 -93.538
  473    H8     A  44           H8         A  44 100.984  32.698 -91.059
  474   1H6     A  44          1H6         A  44 101.127  37.436 -90.113
  475   2H6     A  44          2H6         A  44 102.270  38.699 -90.512
  476    H2     A  44           H2         A  44 105.568  36.773 -92.882
  477    H3T    A  44           H3T        A  44 105.332  29.683 -93.138
   
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  62.295  34.437-108.259
    2   2H5*    G   1          2H5*        G   1  62.805  36.144-108.389
    3    H4*    G   1           H4*        G   1  63.219  34.925-106.165
    4    H3*    G   1           H3*        G   1  60.401  34.487-106.336
    5   1H2*    G   1          1H2*        G   1  59.762  36.541-105.483
    6   2HO*    G   1          2HO*        G   1  60.796  35.135-103.214
    7    H1*    G   1           H1*        G   1  62.310  36.707-103.885
    8    H8     G   1           H8         G   1  61.766  39.272-106.396
    9    H1     G   1           H1         G   1  59.522  40.993-100.698
   10   1H2     G   1          1H2         G   1  59.614  37.584-100.018
   11   2H2     G   1          2H2         G   1  59.226  39.192 -99.451
   12    H5T    G   1           H5T        G   1  60.185  35.160-107.925
   13   1H5*    G   2          1H5*        G   2  58.752  31.401-103.906
   14   2H5*    G   2          2H5*        G   2  59.597  30.400-102.738
   15    H4*    G   2           H4*        G   2  58.085  31.091-101.224
   16    H3*    G   2           H3*        G   2  57.336  33.221-103.257
   17   1H2*    G   2          1H2*        G   2  55.990  34.197-101.591
   18   2HO*    G   2          2HO*        G   2  56.579  31.969 -99.905
   19    H1*    G   2           H1*        G   2  57.794  33.886 -99.567
   20    H8     G   2           H8         G   2  59.381  35.132-102.769
   21    H1     G   2           H1         G   2  56.127  39.664 -99.733
   22   1H2     G   2          1H2         G   2  54.938  37.113 -97.717
   23   2H2     G   2          2H2         G   2  54.951  38.829 -98.086
   24   1H5*    G   3          1H5*        G   3  52.542  30.679-102.508
   25   2H5*    G   3          2H5*        G   3  54.207  30.866-101.953
   26    H4*    G   3           H4*        G   3  52.737  32.093-100.455
   27    H3*    G   3           H3*        G   3  51.642  33.096-103.043
   28   1H2*    G   3          1H2*        G   3  51.462  35.266-102.374
   29   2HO*    G   3          2HO*        G   3  51.468  35.786-100.063
   30    H1*    G   3           H1*        G   3  53.489  35.348-100.478
   31    H8     G   3           H8         G   3  54.741  34.175-103.812
   32    H1     G   3           H1         G   3  54.391  40.514-103.281
   33   1H2     G   3          1H2         G   3  52.272  39.859-100.599
   34   2H2     G   3          2H2         G   3  53.049  41.061-101.603
   35   1H5*    A   4          1H5*        A   4  46.828  33.684-100.211
   36   2H5*    A   4          2H5*        A   4  48.418  33.361 -99.533
   37    H4*    A   4           H4*        A   4  47.691  35.252 -98.349
   38    H3*    A   4           H3*        A   4  46.460  36.046-100.966
   39   1H2*    A   4          1H2*        A   4  46.826  38.297-100.655
   40   2HO*    A   4          2HO*        A   4  47.083  37.599 -97.912
   41    H1*    A   4           H1*        A   4  49.246  38.203 -99.397
   42    H8     A   4           H8         A   4  49.181  35.767-102.241
   43   1H6     A   4          1H6         A   4  51.208  40.380-105.768
   44   2H6     A   4          2H6         A   4  51.041  38.645-105.635
   45    H2     A   4           H2         A   4  49.698  42.128-101.912
   46   1H5*    G   5          1H5*        G   5  42.724  38.839 -98.934
   47   2H5*    G   5          2H5*        G   5  44.292  38.294 -98.354
   48    H4*    G   5           H4*        G   5  44.587  40.589 -98.776
   49    H3*    G   5           H3*        G   5  42.848  40.048-101.149
   50   1H2*    G   5          1H2*        G   5  43.943  41.557-102.498
   51   2HO*    G   5          2HO*        G   5  44.542  42.797-100.041
   52    H1*    G   5           H1*        G   5  46.488  41.421-101.310
   53    H8     G   5           H8         G   5  45.392  38.006-102.353
   54    H1     G   5           H1         G   5  47.938  41.377-107.125
   55   1H2     G   5          1H2         G   5  47.961  43.539-106.631
   56   2H2     G   5          2H2         G   5  47.351  44.151-105.106
   57   1H5*    C   6          1H5*        C   6  40.082  44.156-100.388
   58   2H5*    C   6          2H5*        C   6  41.731  44.164-101.085
   59    H4*    C   6           H4*        C   6  40.170  45.525-102.431
   60    H3*    C   6           H3*        C   6  38.595  42.983-102.341
   61   1H2*    C   6          1H2*        C   6  38.019  43.024-104.553
   62   2HO*    C   6          2HO*        C   6  38.117  44.955-105.794
   63    H1*    C   6           H1*        C   6  40.277  44.212-105.616
   64   1H4     C   6          1H4         C   6  40.764  38.035-106.997
   65   2H4     C   6          2H4         C   6  40.987  37.629-105.311
   66    H5     C   6           H5         C   6  40.898  39.256-103.539
   67    H6     C   6           H6         C   6  40.573  41.626-102.998
   68   1H5*    U   7          1H5*        U   7  34.240  45.056-103.371
   69   2H5*    U   7          2H5*        U   7  35.926  45.196-103.951
   70    H4*    U   7           H4*        U   7  34.590  44.299-105.743
   71    H3*    U   7           H3*        U   7  33.522  42.538-103.574
   72   1H2*    U   7          1H2*        U   7  33.468  40.655-104.878
   73   2HO*    U   7          2HO*        U   7  33.526  42.362-107.159
   74    H1*    U   7           H1*        U   7  35.553  41.289-106.663
   75    H3     U   7           H3         U   7  36.968  37.318-105.156
   76    H5     U   7           H5         U   7  36.972  39.701-101.682
   77    H6     U   7           H6         U   7  35.974  41.484-102.977
   78   1H5*    C   8          1H5*        C   8  30.427  40.705-103.900
   79   2H5*    C   8          2H5*        C   8  28.713  41.164-104.139
   80    H4*    C   8           H4*        C   8  29.167  39.125-105.367
   81    H3*    C   8           H3*        C   8  31.687  40.391-105.869
   82   1H2*    C   8          1H2*        C   8  31.455  41.109-107.956
   83   2HO*    C   8          2HO*        C   8  32.200  38.995-108.484
   84    H1*    C   8           H1*        C   8  28.945  39.826-108.713
   85   1H4     C   8          1H4         C   8  28.643  45.477-111.510
   86   2H4     C   8          2H4         C   8  29.329  46.258-110.103
   87    H5     C   8           H5         C   8  29.976  45.046-108.117
   88    H6     C   8           H6         C   8  30.141  42.872-107.056
   89   1H5*    A   9          1H5*        A   9  32.748  35.665-108.222
   90   2H5*    A   9          2H5*        A   9  31.205  36.505-108.548
   91    H4*    A   9           H4*        A   9  32.233  35.440-110.566
   92    H3*    A   9           H3*        A   9  34.456  37.291-109.793
   93   1H2*    A   9          1H2*        A   9  34.853  37.970-111.952
   94   2HO*    A   9          2HO*        A   9  34.126  36.756-113.756
   95    H1*    A   9           H1*        A   9  32.276  37.868-112.948
   96    H8     A   9           H8         A   9  31.595  39.891-110.114
   97   1H6     A   9          1H6         A   9  35.100  44.465-112.288
   98   2H6     A   9          2H6         A   9  33.863  44.035-111.128
   99    H2     A   9           H2         A   9  36.078  40.735-114.596
  100   1H5*    A  10          1H5*        A  10  38.234  33.907-111.524
  101   2H5*    A  10          2H5*        A  10  36.550  34.142-112.080
  102    H4*    A  10           H4*        A  10  37.822  34.800-113.930
  103    H3*    A  10           H3*        A  10  39.741  35.862-111.890
  104   1H2*    A  10          1H2*        A  10  40.341  37.672-113.168
  105   2HO*    A  10          2HO*        A  10  40.751  36.408-115.066
  106    H1*    A  10           H1*        A  10  37.949  38.183-114.429
  107    H8     A  10           H8         A  10  37.231  37.840-110.783
  108   1H6     A  10          1H6         A  10  39.625  43.449-109.965
  109   2H6     A  10          2H6         A  10  38.655  42.185-109.243
  110    H2     A  10           H2         A  10  40.722  42.036-114.092
  111   1H5*    C  11          1H5*        C  11  43.926  35.205-114.888
  112   2H5*    C  11          2H5*        C  11  42.233  35.528-115.364
  113    H4*    C  11           H4*        C  11  43.560  37.409-116.065
  114    H3*    C  11           H3*        C  11  44.744  37.139-113.327
  115   1H2*    C  11          1H2*        C  11  44.857  39.395-112.957
  116   2HO*    C  11          2HO*        C  11  44.530  39.803-115.758
  117    H1*    C  11           H1*        C  11  42.632  40.223-114.359
  118   1H4     C  11          1H4         C  11  41.193  38.757-108.055
  119   2H4     C  11          2H4         C  11  41.154  40.502-108.185
  120    H5     C  11           H5         C  11  41.794  37.311-109.880
  121    H6     C  11           H6         C  11  42.525  37.221-112.215
  122   1H5*    U  12          1H5*        U  12  48.836  39.874-115.640
  123   2H5*    U  12          2H5*        U  12  47.133  39.824-116.180
  124    H4*    U  12           H4*        U  12  47.858  42.135-115.974
  125    H3*    U  12           H3*        U  12  48.807  41.192-113.296
  126   1H2*    U  12          1H2*        U  12  48.138  43.091-112.202
  127   2HO*    U  12          2HO*        U  12  48.005  44.394-114.733
  128    H1*    U  12           H1*        U  12  45.916  43.754-113.761
  129    H3     U  12           H3         U  12  43.611  43.038-110.007
  130    H5     U  12           H5         U  12  45.987  39.567-110.293
  131    H6     U  12           H6         U  12  46.970  40.486-112.312
  132   1H5*    C  13          1H5*        C  13  52.561  44.962-113.521
  133   2H5*    C  13          2H5*        C  13  50.987  44.688-114.260
  134    H4*    C  13           H4*        C  13  50.822  46.619-112.828
  135    H3*    C  13           H3*        C  13  52.268  44.832-110.907
  136   1H2*    C  13          1H2*        C  13  51.068  45.605-109.069
  137   2HO*    C  13          2HO*        C  13  49.704  47.458-109.236
  138    H1*    C  13           H1*        C  13  48.638  45.722-110.144
  139   1H4     C  13          1H4         C  13  48.456  39.818-107.935
  140   2H4     C  13          2H4         C  13  49.192  39.251-109.416
  141    H5     C  13           H5         C  13  50.184  40.724-111.041
  142    H6     C  13           H6         C  13  50.548  43.063-111.669
  143   1H5*    U  14          1H5*        U  14  54.452  48.557-108.130
  144   2H5*    U  14          2H5*        U  14  52.992  48.673-109.105
  145    H4*    U  14           H4*        U  14  52.178  48.907-106.939
  146    H3*    U  14           H3*        U  14  54.311  46.919-106.202
  147   1H2*    U  14          1H2*        U  14  53.024  46.048-104.485
  148   2HO*    U  14          2HO*        U  14  51.137  47.184-103.727
  149    H1*    U  14           H1*        U  14  50.541  46.293-105.651
  150    H3     U  14           H3         U  14  51.143  41.880-104.880
  151    H5     U  14           H5         U  14  53.145  42.649-108.505
  152    H6     U  14           H6         U  14  52.939  45.012-108.040
  153   1H5*    C  15          1H5*        C  15  54.331  49.464-101.584
  154   2H5*    C  15          2H5*        C  15  53.388  49.327-103.064
  155    H4*    C  15           H4*        C  15  52.180  48.204-101.325
  156    H3*    C  15           H3*        C  15  54.866  46.995-100.739
  157   1H2*    C  15          1H2*        C  15  53.941  44.965-100.164
  158   2HO*    C  15          2HO*        C  15  51.609  44.810 -99.785
  159    H1*    C  15           H1*        C  15  51.809  44.957-101.884
  160   1H4     C  15          1H4         C  15  55.716  40.744-104.467
  161   2H4     C  15          2H4         C  15  56.512  42.034-105.343
  162    H5     C  15           H5         C  15  56.197  44.371-104.811
  163    H6     C  15           H6         C  15  54.813  45.973-103.600
  164   1H5*    C  16          1H5*        C  16  53.991  47.052 -95.526
  165   2H5*    C  16          2H5*        C  16  52.882  47.006 -96.889
  166    H4*    C  16           H4*        C  16  52.610  44.999 -95.570
  167    H3*    C  16           H3*        C  16  55.588  44.740 -95.965
  168   1H2*    C  16          1H2*        C  16  55.357  42.391 -95.858
  169   2HO*    C  16          2HO*        C  16  52.627  42.845 -95.153
  170    H1*    C  16           H1*        C  16  53.144  42.266 -97.422
  171   1H4     C  16          1H4         C  16  58.017  42.906-101.770
  172   2H4     C  16          2H4         C  16  57.859  41.186-101.499
  173    H5     C  16           H5         C  16  56.835  44.556-100.495
  174    H6     C  16           H6         C  16  55.242  44.924 -98.654
  175   1H5*    C  17          1H5*        C  17  56.964  42.240 -91.944
  176   2H5*    C  17          2H5*        C  17  55.380  42.542 -92.645
  177    H4*    C  17           H4*        C  17  55.886  40.387 -93.381
  178    H3*    C  17           H3*        C  17  58.694  41.431 -93.670
  179   1H2*    C  17          1H2*        C  17  59.131  39.980 -95.408
  180   2HO*    C  17          2HO*        C  17  57.042  38.459 -94.252
  181    H1*    C  17           H1*        C  17  56.524  39.832 -96.437
  182   1H4     C  17          1H4         C  17  59.368  44.298-100.240
  183   2H4     C  17          2H4         C  17  59.744  42.757-100.987
  184    H5     C  17           H5         C  17  58.446  44.501 -98.009
  185    H6     C  17           H6         C  17  57.512  43.268 -96.111
  186   1H5*    C  18          1H5*        C  18  61.169  37.299 -92.902
  187   2H5*    C  18          2H5*        C  18  59.504  37.716 -93.290
  188    H4*    C  18           H4*        C  18  60.479  37.173 -95.360
  189    H3*    C  18           H3*        C  18  62.865  38.668 -94.307
  190   1H2*    C  18          1H2*        C  18  63.424  39.465 -96.403
  191   2HO*    C  18          2HO*        C  18  62.021  37.174 -97.280
  192    H1*    C  18           H1*        C  18  60.844  39.527 -97.512
  193   1H4     C  18          1H4         C  18  62.333  45.624 -97.167
  194   2H4     C  18          2H4         C  18  61.632  45.685 -95.565
  195    H5     C  18           H5         C  18  61.054  43.716 -94.302
  196    H6     C  18           H6         C  18  60.825  41.271 -94.386
  197   1H5*    C  19          1H5*        C  19  65.090  34.805 -97.469
  198   2H5*    C  19          2H5*        C  19  63.562  35.612 -97.133
  199    H4*    C  19           H4*        C  19  64.046  36.038 -99.420
  200    H3*    C  19           H3*        C  19  66.821  36.563 -98.400
  201   1H2*    C  19          1H2*        C  19  67.191  38.222 -99.947
  202   2HO*    C  19          2HO*        C  19  65.647  38.403-101.791
  203    H1*    C  19           H1*        C  19  64.580  39.116-100.218
  204   1H4     C  19          1H4         C  19  67.481  43.949 -97.410
  205   2H4     C  19          2H4         C  19  67.157  43.228 -95.845
  206    H5     C  19           H5         C  19  66.346  40.962 -95.571
  207    H6     C  19           H6         C  19  65.528  38.966 -96.743
  208   1H5*    C  20          1H5*        C  20  69.182  34.269-102.649
  209   2H5*    C  20          2H5*        C  20  67.545  34.904-102.612
  210    H4*    C  20           H4*        C  20  68.659  36.091-104.340
  211    H3*    C  20           H3*        C  20  70.907  36.130-102.377
  212   1H2*    C  20          1H2*        C  20  71.620  38.209-102.931
  213   2HO*    C  20          2HO*        C  20  70.139  37.877-105.348
  214    H1*    C  20           H1*        C  20  69.226  39.374-103.562
  215   1H4     C  20          1H4         C  20  70.472  41.794 -97.901
  216   2H4     C  20          2H4         C  20  69.743  40.389 -97.149
  217    H5     C  20           H5         C  20  69.187  38.388 -98.383
  218    H6     C  20           H6         C  20  68.964  37.404-100.619
  219   1H5*    C  21          1H5*        C  21  74.286  35.763-105.676
  220   2H5*    C  21          2H5*        C  21  73.155  37.005-105.063
  221    H4*    C  21           H4*        C  21  75.477  37.824-105.132
  222    H3*    C  21           H3*        C  21  75.930  35.366-103.490
  223   1H2*    C  21          1H2*        C  21  77.370  36.423-102.041
  224   2HO*    C  21          2HO*        C  21  78.703  37.203-103.760
  225    H1*    C  21           H1*        C  21  76.342  39.044-102.281
  226   1H4     C  21          1H4         C  21  75.582  36.710 -96.359
  227   2H4     C  21          2H4         C  21  73.865  36.839 -96.663
  228    H5     C  21           H5         C  21  72.950  37.342 -98.821
  229    H6     C  21           H6         C  21  73.448  37.852-101.170
  230   1H5*    U  22          1H5*        U  22  79.766  37.061-106.474
  231   2H5*    U  22          2H5*        U  22  80.113  38.422-105.363
  232    H4*    U  22           H4*        U  22  82.175  37.244-104.624
  233    H3*    U  22           H3*        U  22  81.724  38.612-107.050
  234   1H2*    U  22          1H2*        U  22  81.976  36.910-108.528
  235   2HO*    U  22          2HO*        U  22  84.187  36.516-109.028
  236    H1*    U  22           H1*        U  22  83.752  35.247-106.816
  237    H3     U  22           H3         U  22  83.212  32.571-110.450
  238    H5     U  22           H5         U  22  79.367  32.851-108.749
  239    H6     U  22           H6         U  22  80.229  34.543-107.241
  240   1H5*    U  23          1H5*        U  23  85.251  37.469-107.953
  241   2H5*    U  23          2H5*        U  23  86.164  38.580-109.019
  242    H4*    U  23           H4*        U  23  87.547  36.660-108.283
  243    H3*    U  23           H3*        U  23  86.627  37.625-105.620
  244   1H2*    U  23          1H2*        U  23  88.673  37.506-104.623
  245   2HO*    U  23          2HO*        U  23  90.311  36.104-105.401
  246    H1*    U  23           H1*        U  23  90.311  37.844-106.834
  247    H3     U  23           H3         U  23  91.727  41.119-104.087
  248    H5     U  23           H5         U  23  87.780  42.255-105.037
  249    H6     U  23           H6         U  23  87.531  40.150-106.223
  250   1H5*    U  24          1H5*        U  24  86.589  32.226-105.006
  251   2H5*    U  24          2H5*        U  24  87.735  33.451-105.631
  252    H4*    U  24           H4*        U  24  88.732  31.722-104.054
  253    H3*    U  24           H3*        U  24  86.709  33.049-102.308
  254   1H2*    U  24          1H2*        U  24  88.086  33.243-100.494
  255   2HO*    U  24          2HO*        U  24  89.890  31.448-101.787
  256    H1*    U  24           H1*        U  24  90.393  33.884-101.769
  257    H3     U  24           H3         U  24  88.574  37.330 -99.282
  258    H5     U  24           H5         U  24  86.823  37.607-103.106
  259    H6     U  24           H6         U  24  87.908  35.501-103.685
  260   1H5*    U  25          1H5*        U  25  84.901  29.021 -99.663
  261   2H5*    U  25          2H5*        U  25  86.568  29.291-100.144
  262    H4*    U  25           H4*        U  25  86.421  29.385 -97.745
  263    H3*    U  25           H3*        U  25  84.289  31.474 -98.231
  264   1H2*    U  25          1H2*        U  25  84.890  32.427 -96.160
  265   2HO*    U  25          2HO*        U  25  86.541  30.138 -95.758
  266    H1*    U  25           H1*        U  25  87.560  32.162 -96.506
  267    H3     U  25           H3         U  25  86.541  36.579 -96.445
  268    H5     U  25           H5         U  25  85.959  35.364-100.436
  269    H6     U  25           H6         U  25  86.235  33.069 -99.713
  270   1H5*    C  26          1H5*        C  26  80.930  30.651 -94.515
  271   2H5*    C  26          2H5*        C  26  82.588  30.068 -94.563
  272    H4*    C  26           H4*        C  26  82.663  31.746 -92.937
  273    H3*    C  26           H3*        C  26  80.658  33.086 -94.709
  274   1H2*    C  26          1H2*        C  26  81.403  35.205 -94.237
  275   2HO*    C  26          2HO*        C  26  82.916  35.471 -92.371
  276    H1*    C  26           H1*        C  26  84.077  34.665 -93.824
  277   1H4     C  26          1H4         C  26  84.224  37.550 -99.429
  278   2H4     C  26          2H4         C  26  83.902  36.020-100.218
  279    H5     C  26           H5         C  26  83.169  34.046 -99.026
  280    H6     C  26           H6         C  26  82.853  33.045 -96.821
  281   1H5*    C  27          1H5*        C  27  77.794  35.835 -92.204
  282   2H5*    C  27          2H5*        C  27  77.967  35.851 -90.434
  283    H4*    C  27           H4*        C  27  79.531  37.581 -90.494
  284    H3*    C  27           H3*        C  27  77.485  37.881 -92.675
  285   1H2*    C  27          1H2*        C  27  78.511  39.707 -93.590
  286   2HO*    C  27          2HO*        C  27  79.312  40.118 -90.960
  287    H1*    C  27           H1*        C  27  81.159  39.085 -92.886
  288   1H4     C  27          1H4         C  27  81.151  38.458 -99.141
  289   2H4     C  27          2H4         C  27  80.785  36.757 -98.940
  290    H5     C  27           H5         C  27  80.032  35.809 -96.850
  291    H6     C  27           H6         C  27  79.725  36.235 -94.455
  292   1H5*    G  28          1H5*        G  28  75.317  42.368 -90.665
  293   2H5*    G  28          2H5*        G  28  76.897  41.729 -90.231
  294    H4*    G  28           H4*        G  28  77.395  43.815 -91.165
  295    H3*    G  28           H3*        G  28  75.120  43.187 -93.015
  296   1H2*    G  28          1H2*        G  28  76.076  44.256 -94.814
  297   2HO*    G  28          2HO*        G  28  77.704  45.571 -92.879
  298    H1*    G  28           H1*        G  28  78.726  43.709 -94.318
  299    H8     G  28           H8         G  28  76.607  40.608 -93.964
  300    H1     G  28           H1         G  28  78.296  41.861 -99.977
  301   1H2     G  28          1H2         G  28  79.100  45.029 -98.776
  302   2H2     G  28          2H2         G  28  79.018  43.948-100.150
  303   1H5*    A  29          1H5*        A  29  74.544  48.477 -93.242
  304   2H5*    A  29          2H5*        A  29  75.778  47.325 -92.750
  305    H4*    A  29           H4*        A  29  76.672  48.480 -94.618
  306    H3*    A  29           H3*        A  29  73.940  48.043 -95.813
  307   1H2*    A  29          1H2*        A  29  74.850  47.966 -97.951
  308   2HO*    A  29          2HO*        A  29  77.084  48.631 -98.283
  309    H1*    A  29           H1*        A  29  77.236  46.714 -97.278
  310    H8     A  29           H8         A  29  74.364  44.796 -95.807
  311   1H6     A  29          1H6         A  29  74.132  41.778-101.178
  312   2H6     A  29          2H6         A  29  73.678  41.736 -99.489
  313    H2     A  29           H2         A  29  76.573  45.507-101.769
  314   1H5*    G  30          1H5*        G  30  73.228  51.954 -98.649
  315   2H5*    G  30          2H5*        G  30  74.739  51.213 -98.140
  316    H4*    G  30           H4*        G  30  74.420  50.675-100.447
  317    H3*    G  30           H3*        G  30  71.633  49.992 -99.542
  318   1H2*    G  30          1H2*        G  30  71.465  48.296-101.140
  319   2HO*    G  30          2HO*        G  30  73.290  48.059-102.686
  320    H1*    G  30           H1*        G  30  73.969  47.276-100.874
  321    H8     G  30           H8         G  30  72.528  48.162 -97.460
  322    H1     G  30           H1         G  30  70.761  42.471 -99.696
  323   1H2     G  30          1H2         G  30  71.890  43.686-102.757
  324   2H2     G  30          2H2         G  30  71.164  42.362-101.873
  325   1H5*    G  31          1H5*        G  31  69.436  51.914-103.990
  326   2H5*    G  31          2H5*        G  31  71.067  51.368-103.617
  327    H4*    G  31           H4*        G  31  70.159  49.803-105.171
  328    H3*    G  31           H3*        G  31  67.743  50.033-103.418
  329   1H2*    G  31          1H2*        G  31  67.171  47.792-103.688
  330   2HO*    G  31          2HO*        G  31  68.432  46.509-105.298
  331    H1*    G  31           H1*        G  31  69.696  46.727-103.656
  332    H8     G  31           H8         G  31  69.341  49.364-100.965
  333    H1     G  31           H1         G  31  67.233  43.622 -99.173
  334   1H2     G  31          1H2         G  31  67.197  42.880-102.552
  335   2H2     G  31          2H2         G  31  66.893  42.348-100.917
  336   1H5*    G  32          1H5*        G  32  65.687  48.025-107.668
  337   2H5*    G  32          2H5*        G  32  67.130  48.500-106.782
  338    H4*    G  32           H4*        G  32  67.000  46.268-106.282
  339    H3*    G  32           H3*        G  32  64.013  46.650-106.303
  340   1H2*    G  32          1H2*        G  32  63.728  44.901-104.797
  341   2HO*    G  32          2HO*        G  32  65.238  43.238-104.628
  342    H1*    G  32           H1*        G  32  66.297  45.083-103.597
  343    H8     G  32           H8         G  32  64.581  48.264-102.897
  344    H1     G  32           H1         G  32  62.818  43.577 -98.971
  345   1H2     G  32          1H2         G  32  63.988  41.447-101.459
  346   2H2     G  32          2H2         G  32  63.243  41.610 -99.884
  347   1H5*    U  33          1H5*        U  33  61.719  44.662-109.911
  348   2H5*    U  33          2H5*        U  33  62.299  46.347-110.070
  349    H4*    U  33           H4*        U  33  61.506  45.050-112.190
  350    H3*    U  33           H3*        U  33  63.590  43.338-111.419
  351   1H2*    U  33          1H2*        U  33  65.391  44.580-112.051
  352   2HO*    U  33          2HO*        U  33  64.396  43.868-114.633
  353    H1*    U  33           H1*        U  33  64.031  46.044-114.258
  354    H3     U  33           H3         U  33  68.223  47.875-114.181
  355    H5     U  33           H5         U  33  66.381  49.147-110.610
  356    H6     U  33           H6         U  33  64.552  47.627-111.088
  357   1H5*    C  34          1H5*        C  34  64.850  40.875-111.716
  358   2H5*    C  34          2H5*        C  34  64.568  39.412-112.702
  359    H4*    C  34           H4*        C  34  66.557  39.818-114.007
  360    H3*    C  34           H3*        C  34  66.779  40.045-111.038
  361   1H2*    C  34          1H2*        C  34  68.925  40.845-111.017
  362   2HO*    C  34          2HO*        C  34  70.309  40.640-112.835
  363    H1*    C  34           H1*        C  34  68.869  42.437-113.248
  364   1H4     C  34          1H4         C  34  66.538  45.121-107.618
  365   2H4     C  34          2H4         C  34  67.809  46.178-108.190
  366    H5     C  34           H5         C  34  65.837  43.111-108.836
  367    H6     C  34           H6         C  34  66.246  41.727-110.750
  368   1H5*    A  35          1H5*        A  35  70.798  37.491-111.107
  369   2H5*    A  35          2H5*        A  35  69.897  38.757-111.976
  370    H4*    A  35           H4*        A  35  71.751  39.899-111.294
  371    H3*    A  35           H3*        A  35  72.076  37.833-109.397
  372   1H2*    A  35          1H2*        A  35  71.324  38.916-107.531
  373   2HO*    A  35          2HO*        A  35  72.939  40.285-106.630
  374    H1*    A  35           H1*        A  35  71.862  41.642-108.615
  375    H8     A  35           H8         A  35  68.463  40.973-108.662
  376   1H6     A  35          1H6         A  35  67.031  42.899-104.488
  377   2H6     A  35          2H6         A  35  67.866  43.212-102.986
  378    H2     A  35           H2         A  35  72.118  41.939-103.537
  379   1H5*    U  36          1H5*        U  36  77.229  40.036-110.264
  380   2H5*    U  36          2H5*        U  36  75.570  40.495-110.602
  381    H4*    U  36           H4*        U  36  76.587  42.457-109.826
  382    H3*    U  36           H3*        U  36  77.902  40.663-107.805
  383   1H2*    U  36          1H2*        U  36  77.967  42.359-106.247
  384   2HO*    U  36          2HO*        U  36  77.796  44.050-108.512
  385    H1*    U  36           H1*        U  36  75.644  43.690-107.015
  386    H3     U  36           H3         U  36  75.320  42.668-102.603
  387    H5     U  36           H5         U  36  74.045  39.254-104.711
  388    H6     U  36           H6         U  36  74.924  40.232-106.729
  389   1H5*    C  37          1H5*        C  37  81.942  43.922-108.156
  390   2H5*    C  37          2H5*        C  37  80.241  43.781-108.584
  391    H4*    C  37           H4*        C  37  80.382  45.285-106.743
  392    H3*    C  37           H3*        C  37  82.128  43.163-105.491
  393   1H2*    C  37          1H2*        C  37  81.370  43.776-103.394
  394   2HO*    C  37          2HO*        C  37  80.321  45.818-103.060
  395    H1*    C  37           H1*        C  37  78.811  44.610-104.174
  396   1H4     C  37          1H4         C  37  78.068  39.585-100.435
  397   2H4     C  37          2H4         C  37  78.025  38.565-101.855
  398    H5     C  37           H5         C  37  78.656  39.337-104.051
  399    H6     C  37           H6         C  37  79.256  41.299-105.387
  400   1H5*    G  38          1H5*        G  38  85.520  46.962-103.531
  401   2H5*    G  38          2H5*        G  38  83.900  47.223-104.165
  402    H4*    G  38           H4*        G  38  83.780  48.032-101.967
  403    H3*    G  38           H3*        G  38  85.582  45.717-101.355
  404   1H2*    G  38          1H2*        G  38  84.685  45.360 -99.265
  405   2HO*    G  38          2HO*        G  38  83.666  48.010 -99.519
  406    H1*    G  38           H1*        G  38  82.059  45.968 -99.805
  407    H8     G  38           H8         G  38  83.565  43.765-102.490
  408    H1     G  38           H1         G  38  81.410  40.542 -97.435
  409   1H2     G  38          1H2         G  38  81.448  43.630 -95.830
  410   2H2     G  38          2H2         G  38  81.131  41.913 -95.721
  411   1H5*    G  39          1H5*        G  39  88.233  47.751 -97.676
  412   2H5*    G  39          2H5*        G  39  86.645  48.025 -98.380
  413    H4*    G  39           H4*        G  39  86.292  46.822 -96.371
  414    H3*    G  39           H3*        G  39  88.582  45.115 -97.317
  415   1H2*    G  39          1H2*        G  39  87.603  43.189 -96.448
  416   2HO*    G  39          2HO*        G  39  85.732  43.637 -94.881
  417    H1*    G  39           H1*        G  39  84.915  44.027 -96.528
  418    H8     G  39           H8         G  39  86.385  43.906 -99.990
  419    H1     G  39           H1         G  39  84.436  38.243 -97.783
  420   1H2     G  39          1H2         G  39  84.157  38.343 -95.586
  421   2H2     G  39          2H2         G  39  84.455  39.806 -94.672
  422   1H5*    A  40          1H5*        A  40  88.735  45.502 -91.738
  423   2H5*    A  40          2H5*        A  40  87.058  45.909 -91.395
  424    H4*    A  40           H4*        A  40  87.340  44.101 -89.992
  425    H3*    A  40           H3*        A  40  89.326  43.153 -92.040
  426   1H2*    A  40          1H2*        A  40  88.950  40.927 -91.563
  427   2HO*    A  40          2HO*        A  40  87.878  40.246 -89.678
  428    H1*    A  40           H1*        A  40  86.247  41.029 -91.181
  429    H8     A  40           H8         A  40  87.035  43.099 -94.125
  430   1H6     A  40          1H6         A  40  86.771  37.896 -97.408
  431   2H6     A  40          2H6         A  40  86.666  39.638 -97.480
  432    H2     A  40           H2         A  40  87.205  36.808 -93.067
  433   1H5*    A  41          1H5*        A  41  91.013  40.461 -88.190
  434   2H5*    A  41          2H5*        A  41  89.358  40.702 -88.816
  435    H4*    A  41           H4*        A  41  89.881  38.320 -88.410
  436    H3*    A  41           H3*        A  41  92.110  38.914 -90.327
  437   1H2*    A  41          1H2*        A  41  91.878  36.869 -91.367
  438   2HO*    A  41          2HO*        A  41  90.465  35.966 -89.064
  439    H1*    A  41           H1*        A  41  89.139  36.495 -90.905
  440    H8     A  41           H8         A  41  90.272  39.651 -92.726
  441   1H6     A  41          1H6         A  41  90.215  37.961 -97.246
  442   2H6     A  41          2H6         A  41  90.007  36.361 -97.919
  443    H2     A  41           H2         A  41  89.399  33.561 -94.456
  444   1H5*    C  42          1H5*        C  42  95.284  35.488 -88.407
  445   2H5*    C  42          2H5*        C  42  93.568  35.218 -88.831
  446    H4*    C  42           H4*        C  42  95.143  33.625 -89.937
  447    H3*    C  42           H3*        C  42  96.264  36.202 -90.955
  448   1H2*    C  42          1H2*        C  42  96.473  35.460 -93.094
  449   2HO*    C  42          2HO*        C  42  96.685  33.258 -93.608
  450    H1*    C  42           H1*        C  42  94.474  33.564 -93.149
  451   1H4     C  42          1H4         C  42  92.525  38.115 -97.096
  452   2H4     C  42          2H4         C  42  92.660  39.336 -95.851
  453    H5     C  42           H5         C  42  93.441  38.865 -93.624
  454    H6     C  42           H6         C  42  94.212  37.117 -92.090
  455   1H5*    C  43          1H5*        C  43 100.122  32.968 -91.970
  456   2H5*    C  43          2H5*        C  43  98.334  33.004 -92.025
  457    H4*    C  43           H4*        C  43  99.372  32.212 -94.153
  458    H3*    C  43           H3*        C  43 100.708  34.873 -93.898
  459   1H2*    C  43          1H2*        C  43 100.442  35.437 -96.095
  460   2HO*    C  43          2HO*        C  43 100.019  33.874 -97.713
  461    H1*    C  43           H1*        C  43  98.003  34.222 -96.599
  462   1H4     C  43          1H4         C  43  97.010  40.478 -95.900
  463   2H4     C  43          2H4         C  43  97.199  40.340 -94.166
  464    H5     C  43           H5         C  43  97.798  38.288 -93.063
  465    H6     C  43           H6         C  43  98.321  35.894 -93.385
  466   1H5*    A  44          1H5*        A  44 105.137  32.101 -95.550
  467   2H5*    A  44          2H5*        A  44 103.423  32.178 -96.061
  468    H4*    A  44           H4*        A  44 104.899  32.694 -97.940
  469    H3*    A  44           H3*        A  44 106.272  34.289 -95.918
  470   1H2*    A  44          1H2*        A  44 105.782  36.321 -96.652
  471   2HO*    A  44          2HO*        A  44 106.458  36.899 -98.785
  472    H1*    A  44           H1*        A  44 104.383  35.585 -99.144
  473    H8     A  44           H8         A  44 102.642  36.038 -95.806
  474   1H6     A  44          1H6         A  44 101.131  40.596 -96.340
  475   2H6     A  44          2H6         A  44 101.437  41.822 -97.550
  476    H2     A  44           H2         A  44 104.213  39.998-100.579
  477    H3T    A  44           H3T        A  44 107.889  34.181 -97.560
   
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  61.916  37.390-111.686
    2   2H5*    G   1          2H5*        G   1  62.895  38.643-110.874
    3    H4*    G   1           H4*        G   1  62.163  36.492-109.554
    4    H3*    G   1           H3*        G   1  59.638  37.709-110.181
    5   1H2*    G   1          1H2*        G   1  59.406  39.022-108.393
    6   2HO*    G   1          2HO*        G   1  59.503  36.544-106.954
    7    H1*    G   1           H1*        G   1  61.363  37.590-106.680
    8    H8     G   1           H8         G   1  62.179  40.855-108.207
    9    H1     G   1           H1         G   1  59.592  41.459-102.425
   10   1H2     G   1          1H2         G   1  58.527  38.180-102.906
   11   2H2     G   1          2H2         G   1  58.550  39.585-101.863
   12    H5T    G   1           H5T        G   1  60.153  38.664-111.506
   13   1H5*    G   2          1H5*        G   2  56.424  33.833-107.782
   14   2H5*    G   2          2H5*        G   2  58.121  33.567-107.405
   15    H4*    G   2           H4*        G   2  57.192  33.454-105.291
   16    H3*    G   2           H3*        G   2  55.152  35.354-106.398
   17   1H2*    G   2          1H2*        G   2  54.809  36.416-104.395
   18   2HO*    G   2          2HO*        G   2  55.643  35.399-102.396
   19    H1*    G   2           H1*        G   2  57.342  36.208-103.309
   20    H8     G   2           H8         G   2  57.469  37.506-106.796
   21    H1     G   2           H1         G   2  56.098  42.022-102.533
   22   1H2     G   2          1H2         G   2  55.426  39.367-100.387
   23   2H2     G   2          2H2         G   2  55.487  41.101-100.617
   24   1H5*    G   3          1H5*        G   3  51.665  33.042-103.065
   25   2H5*    G   3          2H5*        G   3  53.395  33.023-103.410
   26    H4*    G   3           H4*        G   3  53.275  34.498-101.592
   27    H3*    G   3           H3*        G   3  50.613  35.140-102.754
   28   1H2*    G   3          1H2*        G   3  50.798  37.454-102.376
   29   2HO*    G   3          2HO*        G   3  52.040  38.202-100.588
   30    H1*    G   3           H1*        G   3  53.601  37.595-101.968
   31    H8     G   3           H8         G   3  52.852  36.792-105.504
   32    H1     G   3           H1         G   3  52.872  43.015-104.130
   33   1H2     G   3          1H2         G   3  52.372  41.960-100.852
   34   2H2     G   3          2H2         G   3  52.553  43.305-101.957
   35   1H5*    A   4          1H5*        A   4  47.409  35.346 -99.056
   36   2H5*    A   4          2H5*        A   4  47.915  34.915 -97.433
   37    H4*    A   4           H4*        A   4  47.453  37.014 -96.761
   38    H3*    A   4           H3*        A   4  46.828  37.375 -99.702
   39   1H2*    A   4          1H2*        A   4  46.638  39.703 -99.412
   40   2HO*    A   4          2HO*        A   4  47.019  40.570 -97.222
   41    H1*    A   4           H1*        A   4  48.917  40.015 -98.105
   42    H8     A   4           H8         A   4  49.285  37.123-100.385
   43   1H6     A   4          1H6         A   4  50.187  41.110-104.992
   44   2H6     A   4          2H6         A   4  50.352  39.441-104.493
   45    H2     A   4           H2         A   4  48.623  43.376-101.438
   46   1H5*    G   5          1H5*        G   5  42.216  39.038 -97.626
   47   2H5*    G   5          2H5*        G   5  43.941  38.770 -97.376
   48    H4*    G   5           H4*        G   5  43.497  41.152 -97.643
   49    H3*    G   5           H3*        G   5  42.036  40.181-100.064
   50   1H2*    G   5          1H2*        G   5  42.778  41.873-101.421
   51   2HO*    G   5          2HO*        G   5  42.962  43.273 -98.992
   52    H1*    G   5           H1*        G   5  45.259  42.350-100.230
   53    H8     G   5           H8         G   5  45.045  38.733-100.960
   54    H1     G   5           H1         G   5  46.569  42.167-106.104
   55   1H2     G   5          1H2         G   5  46.080  44.305-105.789
   56   2H2     G   5          2H2         G   5  45.373  44.888-104.296
   57   1H5*    C   6          1H5*        C   6  38.626  43.698 -99.770
   58   2H5*    C   6          2H5*        C   6  40.204  44.012-100.553
   59    H4*    C   6           H4*        C   6  38.304  44.852-101.909
   60    H3*    C   6           H3*        C   6  37.420  42.016-101.560
   61   1H2*    C   6          1H2*        C   6  36.793  41.726-103.736
   62   2HO*    C   6          2HO*        C   6  36.365  43.500-105.123
   63    H1*    C   6           H1*        C   6  38.657  43.324-104.995
   64   1H4     C   6          1H4         C   6  40.742  37.390-105.843
   65   2H4     C   6          2H4         C   6  41.017  37.189-104.128
   66    H5     C   6           H5         C   6  40.473  38.874-102.498
   67    H6     C   6           H6         C   6  39.549  41.119-102.159
   68   1H5*    U   7          1H5*        U   7  32.705  43.021-102.648
   69   2H5*    U   7          2H5*        U   7  34.331  43.431-103.272
   70    H4*    U   7           H4*        U   7  33.149  42.186-104.971
   71    H3*    U   7           H3*        U   7  32.495  40.390-102.669
   72   1H2*    U   7          1H2*        U   7  32.779  38.456-103.867
   73   2HO*    U   7          2HO*        U   7  32.609  38.425-106.153
   74    H1*    U   7           H1*        U   7  34.662  39.376-105.754
   75    H3     U   7           H3         U   7  36.863  35.851-104.100
   76    H5     U   7           H5         U   7  36.464  38.369-100.745
   77    H6     U   7           H6         U   7  35.112  39.854-102.094
   78   1H5*    C   8          1H5*        C   8  29.822  37.967-102.805
   79   2H5*    C   8          2H5*        C   8  28.042  38.095-102.966
   80    H4*    C   8           H4*        C   8  28.778  36.108-104.126
   81    H3*    C   8           H3*        C   8  31.053  37.711-104.763
   82   1H2*    C   8          1H2*        C   8  30.625  38.357-106.846
   83   2HO*    C   8          2HO*        C   8  31.713  36.381-107.352
   84    H1*    C   8           H1*        C   8  28.359  36.635-107.508
   85   1H4     C   8          1H4         C   8  27.008  42.057-110.440
   86   2H4     C   8          2H4         C   8  27.578  42.991-109.075
   87    H5     C   8           H5         C   8  28.469  41.971-107.075
   88    H6     C   8           H6         C   8  29.041  39.894-105.964
   89   1H5*    A   9          1H5*        A   9  32.816  33.178-107.092
   90   2H5*    A   9          2H5*        A   9  31.145  33.723-107.418
   91    H4*    A   9           H4*        A   9  32.341  32.852-109.436
   92    H3*    A   9           H3*        A   9  34.201  35.069-108.671
   93   1H2*    A   9          1H2*        A   9  34.469  35.810-110.827
   94   2HO*    A   9          2HO*        A   9  33.959  34.487-112.633
   95    H1*    A   9           H1*        A   9  31.950  35.260-111.821
   96    H8     A   9           H8         A   9  30.922  37.114-108.981
   97   1H6     A   9          1H6         A   9  33.589  42.243-111.101
   98   2H6     A   9          2H6         A   9  32.446  41.595-109.946
   99    H2     A   9           H2         A   9  35.193  38.758-113.445
  100   1H5*    A  10          1H5*        A  10  38.584  32.336-110.236
  101   2H5*    A  10          2H5*        A  10  36.908  32.215-110.852
  102    H4*    A  10           H4*        A  10  38.086  33.018-112.703
  103    H3*    A  10           H3*        A  10  39.725  34.503-110.681
  104   1H2*    A  10          1H2*        A  10  40.022  36.333-112.034
  105   2HO*    A  10          2HO*        A  10  39.713  36.234-114.298
  106    H1*    A  10           H1*        A  10  37.610  36.353-113.354
  107    H8     A  10           H8         A  10  36.876  36.017-109.707
  108   1H6     A  10          1H6         A  10  38.254  41.979-109.050
  109   2H6     A  10          2H6         A  10  37.526  40.582-108.287
  110    H2     A  10           H2         A  10  39.632  40.656-113.121
  111   1H5*    C  11          1H5*        C  11  44.061  34.478-113.546
  112   2H5*    C  11          2H5*        C  11  42.356  34.464-114.088
  113    H4*    C  11           H4*        C  11  43.346  36.518-114.852
  114    H3*    C  11           H3*        C  11  44.460  36.604-112.073
  115   1H2*    C  11          1H2*        C  11  44.146  38.856-111.823
  116   2HO*    C  11          2HO*        C  11  43.846  40.244-113.638
  117    H1*    C  11           H1*        C  11  41.855  39.194-113.317
  118   1H4     C  11          1H4         C  11  40.447  37.744-107.010
  119   2H4     C  11          2H4         C  11  40.098  39.446-107.221
  120    H5     C  11           H5         C  11  41.410  36.372-108.729
  121    H6     C  11           H6         C  11  42.229  36.319-111.033
  122   1H5*    U  12          1H5*        U  12  47.895  40.104-114.445
  123   2H5*    U  12          2H5*        U  12  46.290  39.581-115.034
  124    H4*    U  12           H4*        U  12  46.342  41.996-114.966
  125    H3*    U  12           H3*        U  12  47.482  41.530-112.238
  126   1H2*    U  12          1H2*        U  12  46.317  43.256-111.275
  127   2HO*    U  12          2HO*        U  12  45.456  44.977-112.522
  128    H1*    U  12           H1*        U  12  44.027  43.205-112.886
  129    H3     U  12           H3         U  12  41.882  42.221-109.101
  130    H5     U  12           H5         U  12  45.080  39.476-109.070
  131    H6     U  12           H6         U  12  45.861  40.463-111.147
  132   1H5*    C  13          1H5*        C  13  50.250  46.087-112.826
  133   2H5*    C  13          2H5*        C  13  48.788  45.413-113.533
  134    H4*    C  13           H4*        C  13  48.176  47.372-112.276
  135    H3*    C  13           H3*        C  13  49.952  46.133-110.203
  136   1H2*    C  13          1H2*        C  13  48.580  46.791-108.440
  137   2HO*    C  13          2HO*        C  13  46.867  48.271-108.744
  138    H1*    C  13           H1*        C  13  46.211  46.215-109.503
  139   1H4     C  13          1H4         C  13  47.474  40.675-106.769
  140   2H4     C  13          2H4         C  13  48.293  40.158-108.225
  141    H5     C  13           H5         C  13  48.888  41.665-110.006
  142    H6     C  13           H6         C  13  48.663  43.947-110.858
  143   1H5*    U  14          1H5*        U  14  51.497  50.379-107.855
  144   2H5*    U  14          2H5*        U  14  49.964  50.114-108.676
  145    H4*    U  14           H4*        U  14  49.365  50.368-106.426
  146    H3*    U  14           H3*        U  14  51.794  48.684-105.846
  147   1H2*    U  14          1H2*        U  14  50.807  47.909-103.881
  148   2HO*    U  14          2HO*        U  14  48.740  48.900-103.205
  149    H1*    U  14           H1*        U  14  48.237  47.703-104.868
  150    H3     U  14           H3         U  14  49.634  43.550-103.664
  151    H5     U  14           H5         U  14  51.162  44.145-107.544
  152    H6     U  14           H6         U  14  50.515  46.468-107.375
  153   1H5*    C  15          1H5*        C  15  53.681  51.589-101.887
  154   2H5*    C  15          2H5*        C  15  52.108  51.567-102.679
  155    H4*    C  15           H4*        C  15  51.838  50.434-100.596
  156    H3*    C  15           H3*        C  15  54.460  49.189-101.341
  157   1H2*    C  15          1H2*        C  15  53.900  47.117-100.519
  158   2HO*    C  15          2HO*        C  15  52.122  46.840 -99.070
  159    H1*    C  15           H1*        C  15  51.237  47.087-101.088
  160   1H4     C  15          1H4         C  15  53.417  43.452-105.728
  161   2H4     C  15          2H4         C  15  53.703  44.882-106.699
  162    H5     C  15           H5         C  15  53.783  47.115-105.759
  163    H6     C  15           H6         C  15  53.101  48.484-103.854
  164   1H5*    C  16          1H5*        C  16  55.515  48.408 -96.317
  165   2H5*    C  16          2H5*        C  16  54.121  48.801 -97.317
  166    H4*    C  16           H4*        C  16  53.921  46.501 -96.706
  167    H3*    C  16           H3*        C  16  56.820  46.397 -97.485
  168   1H2*    C  16          1H2*        C  16  56.597  44.280 -98.331
  169   2HO*    C  16          2HO*        C  16  54.785  42.934 -97.728
  170    H1*    C  16           H1*        C  16  53.941  44.378 -99.090
  171   1H4     C  16          1H4         C  16  57.255  45.536-104.580
  172   2H4     C  16          2H4         C  16  57.059  43.797-104.514
  173    H5     C  16           H5         C  16  56.749  46.993-102.721
  174    H6     C  16           H6         C  16  55.904  47.079-100.414
  175   1H5*    C  17          1H5*        C  17  57.051  42.244 -93.982
  176   2H5*    C  17          2H5*        C  17  55.660  43.067 -94.673
  177    H4*    C  17           H4*        C  17  55.402  40.837 -95.359
  178    H3*    C  17           H3*        C  17  58.374  40.925 -95.699
  179   1H2*    C  17          1H2*        C  17  58.354  39.430 -97.464
  180   2HO*    C  17          2HO*        C  17  56.218  38.388 -97.978
  181    H1*    C  17           H1*        C  17  56.055  40.302 -98.689
  182   1H4     C  17          1H4         C  17  60.517  44.494-101.011
  183   2H4     C  17          2H4         C  17  60.454  43.185-102.171
  184    H5     C  17           H5         C  17  59.394  44.426 -98.878
  185    H6     C  17           H6         C  17  58.021  43.056 -97.374
  186   1H5*    C  18          1H5*        C  18  60.307  36.956 -94.597
  187   2H5*    C  18          2H5*        C  18  58.707  37.441 -95.146
  188    H4*    C  18           H4*        C  18  59.947  37.106 -97.117
  189    H3*    C  18           H3*        C  18  62.164  38.497 -95.631
  190   1H2*    C  18          1H2*        C  18  62.978  39.449 -97.579
  191   2HO*    C  18          2HO*        C  18  62.397  38.563 -99.648
  192    H1*    C  18           H1*        C  18  60.542  39.573 -98.986
  193   1H4     C  18          1H4         C  18  61.997  45.625 -98.240
  194   2H4     C  18          2H4         C  18  61.106  45.639 -96.731
  195    H5     C  18           H5         C  18  60.367  43.626 -95.618
  196    H6     C  18           H6         C  18  60.184  41.183 -95.801
  197   1H5*    C  19          1H5*        C  19  64.889  34.766 -98.585
  198   2H5*    C  19          2H5*        C  19  63.315  35.547 -98.500
  199    H4*    C  19           H4*        C  19  64.155  36.029-100.664
  200    H3*    C  19           H3*        C  19  66.733  36.514 -99.202
  201   1H2*    C  19          1H2*        C  19  67.355  38.204-100.631
  202   2HO*    C  19          2HO*        C  19  65.528  37.014-102.457
  203    H1*    C  19           H1*        C  19  64.816  39.103-101.330
  204   1H4     C  19          1H4         C  19  67.219  43.931 -98.085
  205   2H4     C  19          2H4         C  19  66.652  43.207 -96.593
  206    H5     C  19           H5         C  19  65.817  40.934 -96.454
  207    H6     C  19           H6         C  19  65.194  38.941 -97.746
  208   1H5*    C  20          1H5*        C  20  69.635  34.370-103.253
  209   2H5*    C  20          2H5*        C  20  67.986  34.956-103.424
  210    H4*    C  20           H4*        C  20  69.238  36.147-105.037
  211    H3*    C  20           H3*        C  20  71.294  36.261-102.871
  212   1H2*    C  20          1H2*        C  20  72.028  38.340-103.405
  213   2HO*    C  20          2HO*        C  20  70.758  37.929-105.928
  214    H1*    C  20           H1*        C  20  69.686  39.470-104.206
  215   1H4     C  20          1H4         C  20  70.444  41.745 -98.389
  216   2H4     C  20          2H4         C  20  69.668  40.315 -97.740
  217    H5     C  20           H5         C  20  69.222  38.348 -99.069
  218    H6     C  20           H6         C  20  69.203  37.420-101.343
  219   1H5*    C  21          1H5*        C  21  74.984  35.796-105.816
  220   2H5*    C  21          2H5*        C  21  73.809  37.062-105.355
  221    H4*    C  21           H4*        C  21  76.148  37.848-105.209
  222    H3*    C  21           H3*        C  21  76.368  35.455-103.424
  223   1H2*    C  21          1H2*        C  21  77.664  36.558-101.877
  224   2HO*    C  21          2HO*        C  21  79.244  37.224-103.334
  225    H1*    C  21           H1*        C  21  76.731  39.186-102.361
  226   1H4     C  21          1H4         C  21  75.365  37.197 -96.425
  227   2H4     C  21          2H4         C  21  73.685  37.302 -96.902
  228    H5     C  21           H5         C  21  72.986  37.680 -99.165
  229    H6     C  21           H6         C  21  73.713  38.056-101.479
  230   1H5*    U  22          1H5*        U  22  80.483  36.873-106.234
  231   2H5*    U  22          2H5*        U  22  80.860  38.342-105.285
  232    H4*    U  22           H4*        U  22  82.815  37.210-104.304
  233    H3*    U  22           H3*        U  22  82.563  38.127-106.939
  234   1H2*    U  22          1H2*        U  22  82.607  36.162-108.071
  235   2HO*    U  22          2HO*        U  22  84.639  36.934-108.607
  236    H1*    U  22           H1*        U  22  84.251  34.665-106.088
  237    H3     U  22           H3         U  22  82.877  32.160-109.880
  238    H5     U  22           H5         U  22  80.042  31.715-106.792
  239    H6     U  22           H6         U  22  81.121  33.544-105.626
  240   1H5*    U  23          1H5*        U  23  86.026  36.481-107.838
  241   2H5*    U  23          2H5*        U  23  86.796  37.590-109.011
  242    H4*    U  23           H4*        U  23  88.228  35.636-108.443
  243    H3*    U  23           H3*        U  23  87.744  36.693-105.701
  244   1H2*    U  23          1H2*        U  23  89.923  36.524-105.033
  245   2HO*    U  23          2HO*        U  23  91.371  35.048-106.009
  246    H1*    U  23           H1*        U  23  91.193  36.752-107.484
  247    H3     U  23           H3         U  23  93.157  39.977-105.030
  248    H5     U  23           H5         U  23  89.171  41.298-105.416
  249    H6     U  23           H6         U  23  88.652  39.194-106.516
  250   1H5*    U  24          1H5*        U  24  87.680  31.333-104.851
  251   2H5*    U  24          2H5*        U  24  88.732  32.502-105.707
  252    H4*    U  24           H4*        U  24  89.941  30.849-104.202
  253    H3*    U  24           H3*        U  24  88.195  32.271-102.247
  254   1H2*    U  24          1H2*        U  24  89.812  32.590-100.681
  255   2HO*    U  24          2HO*        U  24  90.549  30.388-100.726
  256    H1*    U  24           H1*        U  24  91.957  33.022-102.319
  257    H3     U  24           H3         U  24  90.901  36.759 -99.863
  258    H5     U  24           H5         U  24  88.397  36.885-103.250
  259    H6     U  24           H6         U  24  89.212  34.666-103.855
  260   1H5*    U  25          1H5*        U  25  86.265  28.602 -99.414
  261   2H5*    U  25          2H5*        U  25  87.952  28.733 -99.888
  262    H4*    U  25           H4*        U  25  87.773  29.187 -97.533
  263    H3*    U  25           H3*        U  25  85.670  31.172 -98.394
  264   1H2*    U  25          1H2*        U  25  86.221  32.503 -96.552
  265   2HO*    U  25          2HO*        U  25  87.524  30.165 -95.608
  266    H1*    U  25           H1*        U  25  88.914  32.114 -96.684
  267    H3     U  25           H3         U  25  88.049  36.508 -97.379
  268    H5     U  25           H5         U  25  87.709  34.684-101.161
  269    H6     U  25           H6         U  25  87.816  32.526-100.064
  270   1H5*    C  26          1H5*        C  26  82.265  30.511 -94.686
  271   2H5*    C  26          2H5*        C  26  83.992  30.195 -94.736
  272    H4*    C  26           H4*        C  26  83.781  32.050 -93.318
  273    H3*    C  26           H3*        C  26  81.719  32.972 -95.298
  274   1H2*    C  26          1H2*        C  26  82.203  35.195 -94.861
  275   2HO*    C  26          2HO*        C  26  83.390  35.752 -92.905
  276    H1*    C  26           H1*        C  26  84.886  34.859 -94.138
  277   1H4     C  26          1H4         C  26  85.375  38.296 -99.368
  278   2H4     C  26          2H4         C  26  85.433  36.822-100.312
  279    H5     C  26           H5         C  26  84.870  34.655 -99.411
  280    H6     C  26           H6         C  26  84.344  33.407 -97.372
  281   1H5*    C  27          1H5*        C  27  78.391  35.430 -92.823
  282   2H5*    C  27          2H5*        C  27  78.495  35.397 -91.047
  283    H4*    C  27           H4*        C  27  79.868  37.280 -90.984
  284    H3*    C  27           H3*        C  27  77.904  37.457 -93.254
  285   1H2*    C  27          1H2*        C  27  78.782  39.422 -94.036
  286   2HO*    C  27          2HO*        C  27  79.406  39.783 -91.350
  287    H1*    C  27           H1*        C  27  81.438  39.035 -93.206
  288   1H4     C  27          1H4         C  27  81.811  38.814 -99.475
  289   2H4     C  27          2H4         C  27  81.642  37.074 -99.396
  290    H5     C  27           H5         C  27  80.892  35.914 -97.415
  291    H6     C  27           H6         C  27  80.445  36.141 -95.011
  292   1H5*    G  28          1H5*        G  28  75.112  41.527 -90.996
  293   2H5*    G  28          2H5*        G  28  76.723  41.003 -90.523
  294    H4*    G  28           H4*        G  28  77.042  43.222 -91.211
  295    H3*    G  28           H3*        G  28  74.974  42.557 -93.279
  296   1H2*    G  28          1H2*        G  28  75.932  43.883 -94.900
  297   2HO*    G  28          2HO*        G  28  77.644  45.415 -94.267
  298    H1*    G  28           H1*        G  28  78.580  43.524 -94.284
  299    H8     G  28           H8         G  28  76.776  40.217 -94.269
  300    H1     G  28           H1         G  28  78.604  42.082-100.078
  301   1H2     G  28          1H2         G  28  78.998  45.219 -98.629
  302   2H2     G  28          2H2         G  28  79.102  44.236-100.074
  303   1H5*    A  29          1H5*        A  29  73.961  47.788 -93.169
  304   2H5*    A  29          2H5*        A  29  75.244  46.708 -92.641
  305    H4*    A  29           H4*        A  29  76.205  48.041 -94.340
  306    H3*    A  29           H3*        A  29  73.601  47.560 -95.777
  307   1H2*    A  29          1H2*        A  29  74.664  47.659 -97.844
  308   2HO*    A  29          2HO*        A  29  76.864  48.463 -97.982
  309    H1*    A  29           H1*        A  29  77.055  46.487 -97.091
  310    H8     A  29           H8         A  29  74.204  44.349 -95.916
  311   1H6     A  29          1H6         A  29  74.446  41.658-101.453
  312   2H6     A  29          2H6         A  29  73.895  41.492 -99.800
  313    H2     A  29           H2         A  29  76.730  45.523-101.675
  314   1H5*    G  30          1H5*        G  30  73.043  51.764 -98.352
  315   2H5*    G  30          2H5*        G  30  74.508  51.025 -97.719
  316    H4*    G  30           H4*        G  30  74.516  50.704-100.089
  317    H3*    G  30           H3*        G  30  71.652  49.935 -99.628
  318   1H2*    G  30          1H2*        G  30  71.698  48.298-101.282
  319   2HO*    G  30          2HO*        G  30  73.622  48.131-102.661
  320    H1*    G  30           H1*        G  30  74.143  47.259-100.781
  321    H8     G  30           H8         G  30  72.370  48.081 -97.504
  322    H1     G  30           H1         G  30  70.845  42.440-100.025
  323   1H2     G  30          1H2         G  30  72.243  43.728-102.940
  324   2H2     G  30          2H2         G  30  71.444  42.383-102.156
  325   1H5*    G  31          1H5*        G  31  70.234  51.925-104.315
  326   2H5*    G  31          2H5*        G  31  71.745  51.335-103.633
  327    H4*    G  31           H4*        G  31  71.073  49.810-105.359
  328    H3*    G  31           H3*        G  31  68.420  50.045-103.993
  329   1H2*    G  31          1H2*        G  31  67.876  47.821-104.377
  330   2HO*    G  31          2HO*        G  31  70.027  47.829-106.271
  331    H1*    G  31           H1*        G  31  70.361  46.722-103.983
  332    H8     G  31           H8         G  31  69.574  49.347-101.363
  333    H1     G  31           H1         G  31  67.276  43.581 -99.913
  334   1H2     G  31          1H2         G  31  67.824  42.816-103.239
  335   2H2     G  31          2H2         G  31  67.249  42.295-101.676
  336   1H5*    G  32          1H5*        G  32  66.940  47.995-108.250
  337   2H5*    G  32          2H5*        G  32  68.232  48.443-107.146
  338    H4*    G  32           H4*        G  32  67.847  46.229-106.613
  339    H3*    G  32           H3*        G  32  64.916  46.843-106.963
  340   1H2*    G  32          1H2*        G  32  64.395  45.102-105.512
  341   2HO*    G  32          2HO*        G  32  66.747  44.060-106.579
  342    H1*    G  32           H1*        G  32  66.827  45.209-104.048
  343    H8     G  32           H8         G  32  65.129  48.440-103.519
  344    H1     G  32           H1         G  32  62.719  43.731 -99.973
  345   1H2     G  32          1H2         G  32  64.200  41.627-102.321
  346   2H2     G  32          2H2         G  32  63.241  41.769-100.864
  347   1H5*    U  33          1H5*        U  33  62.794  45.112-110.656
  348   2H5*    U  33          2H5*        U  33  63.542  46.728-110.872
  349    H4*    U  33           H4*        U  33  62.777  45.136-112.918
  350    H3*    U  33           H3*        U  33  65.085  43.852-111.917
  351   1H2*    U  33          1H2*        U  33  66.691  45.231-112.745
  352   2HO*    U  33          2HO*        U  33  66.754  43.408-114.197
  353    H1*    U  33           H1*        U  33  65.107  46.252-115.047
  354    H3     U  33           H3         U  33  68.281  49.337-115.650
  355    H5     U  33           H5         U  33  67.882  49.238-111.454
  356    H6     U  33           H6         U  33  66.248  47.464-111.718
  357   1H5*    C  34          1H5*        C  34  66.176  39.666-114.123
  358   2H5*    C  34          2H5*        C  34  66.165  41.045-115.261
  359    H4*    C  34           H4*        C  34  68.427  40.184-115.040
  360    H3*    C  34           H3*        C  34  67.836  40.435-112.109
  361   1H2*    C  34          1H2*        C  34  69.970  41.156-111.610
  362   2HO*    C  34          2HO*        C  34  70.768  40.265-114.202
  363    H1*    C  34           H1*        C  34  70.452  42.688-113.848
  364   1H4     C  34          1H4         C  34  67.559  45.607-108.605
  365   2H4     C  34          2H4         C  34  68.973  46.558-109.002
  366    H5     C  34           H5         C  34  66.849  43.673-109.934
  367    H6     C  34           H6         C  34  67.399  42.229-111.792
  368   1H5*    A  35          1H5*        A  35  71.785  37.722-111.551
  369   2H5*    A  35          2H5*        A  35  70.975  38.980-112.514
  370    H4*    A  35           H4*        A  35  72.746  40.131-111.666
  371    H3*    A  35           H3*        A  35  72.899  38.071-109.746
  372   1H2*    A  35          1H2*        A  35  71.986  39.149-107.952
  373   2HO*    A  35          2HO*        A  35  74.353  40.727-108.251
  374    H1*    A  35           H1*        A  35  72.590  41.885-108.962
  375    H8     A  35           H8         A  35  69.202  41.178-109.367
  376   1H6     A  35          1H6         A  35  67.359  43.070-105.353
  377   2H6     A  35          2H6         A  35  68.025  43.382-103.769
  378    H2     A  35           H2         A  35  72.344  42.140-103.897
  379   1H5*    U  36          1H5*        U  36  78.048  40.371-110.279
  380   2H5*    U  36          2H5*        U  36  76.391  40.751-110.713
  381    H4*    U  36           H4*        U  36  77.259  42.759-109.881
  382    H3*    U  36           H3*        U  36  78.581  41.014-107.826
  383   1H2*    U  36          1H2*        U  36  78.460  42.663-106.222
  384   2HO*    U  36          2HO*        U  36  78.103  44.872-106.795
  385    H1*    U  36           H1*        U  36  76.105  43.877-107.056
  386    H3     U  36           H3         U  36  75.645  42.623-102.706
  387    H5     U  36           H5         U  36  74.614  39.269-105.034
  388    H6     U  36           H6         U  36  75.529  40.389-106.961
  389   1H5*    C  37          1H5*        C  37  82.319  44.618-107.897
  390   2H5*    C  37          2H5*        C  37  80.660  44.303-108.394
  391    H4*    C  37           H4*        C  37  80.591  45.736-106.480
  392    H3*    C  37           H3*        C  37  82.487  43.725-105.269
  393   1H2*    C  37          1H2*        C  37  81.576  44.101-103.178
  394   2HO*    C  37          2HO*        C  37  80.737  46.580-104.282
  395    H1*    C  37           H1*        C  37  78.983  44.755-104.023
  396   1H4     C  37          1H4         C  37  78.586  39.440-100.645
  397   2H4     C  37          2H4         C  37  78.716  38.516-102.124
  398    H5     C  37           H5         C  37  79.344  39.489-104.237
  399    H6     C  37           H6         C  37  79.781  41.585-105.421
  400   1H5*    G  38          1H5*        G  38  85.425  47.890-103.134
  401   2H5*    G  38          2H5*        G  38  83.814  47.938-103.842
  402    H4*    G  38           H4*        G  38  83.539  48.746-101.633
  403    H3*    G  38           H3*        G  38  85.504  46.585-100.959
  404   1H2*    G  38          1H2*        G  38  84.521  46.064 -98.951
  405   2HO*    G  38          2HO*        G  38  83.276  48.616 -99.182
  406    H1*    G  38           H1*        G  38  81.894  46.408 -99.627
  407    H8     G  38           H8         G  38  83.769  44.567-102.349
  408    H1     G  38           H1         G  38  81.750  40.801 -97.624
  409   1H2     G  38          1H2         G  38  81.356  43.762 -95.838
  410   2H2     G  38          2H2         G  38  81.231  42.016 -95.849
  411   1H5*    G  39          1H5*        G  39  87.482  48.654 -96.828
  412   2H5*    G  39          2H5*        G  39  85.922  48.853 -97.608
  413    H4*    G  39           H4*        G  39  85.510  47.656 -95.605
  414    H3*    G  39           H3*        G  39  87.866  45.964 -96.435
  415   1H2*    G  39          1H2*        G  39  86.962  44.159 -95.276
  416   2HO*    G  39          2HO*        G  39  85.146  44.455 -93.862
  417    H1*    G  39           H1*        G  39  84.328  44.640 -95.938
  418    H8     G  39           H8         G  39  86.388  44.930 -99.049
  419    H1     G  39           H1         G  39  85.214  38.876 -97.418
  420   1H2     G  39          1H2         G  39  84.572  38.764 -95.301
  421   2H2     G  39          2H2         G  39  84.420  40.185 -94.291
  422   1H5*    A  40          1H5*        A  40  90.509  45.577 -91.946
  423   2H5*    A  40          2H5*        A  40  88.804  45.992 -92.061
  424    H4*    A  40           H4*        A  40  88.710  43.904 -91.062
  425    H3*    A  40           H3*        A  40  91.141  43.314 -92.719
  426   1H2*    A  40          1H2*        A  40  90.604  41.094 -92.938
  427   2HO*    A  40          2HO*        A  40  89.228  41.506 -90.512
  428    H1*    A  40           H1*        A  40  87.830  41.294 -92.721
  429    H8     A  40           H8         A  40  89.137  43.335 -95.600
  430   1H6     A  40          1H6         A  40  88.444  38.212 -98.948
  431   2H6     A  40          2H6         A  40  88.583  39.955 -99.006
  432    H2     A  40           H2         A  40  88.377  37.059 -94.598
  433   1H5*    A  41          1H5*        A  41  91.919  40.077 -88.423
  434   2H5*    A  41          2H5*        A  41  90.433  40.820 -89.084
  435    H4*    A  41           H4*        A  41  90.033  38.457 -88.793
  436    H3*    A  41           H3*        A  41  92.705  38.206 -90.116
  437   1H2*    A  41          1H2*        A  41  92.108  36.397 -91.398
  438   2HO*    A  41          2HO*        A  41  89.849  36.039 -89.691
  439    H1*    A  41           H1*        A  41  89.479  37.013 -91.886
  440    H8     A  41           H8         A  41  92.128  39.754 -92.253
  441   1H6     A  41          1H6         A  41  93.182  39.125 -96.925
  442   2H6     A  41          2H6         A  41  92.737  37.902 -98.094
  443    H2     A  41           H2         A  41  90.039  35.002 -95.978
  444   1H5*    C  42          1H5*        C  42  93.906  33.915 -88.003
  445   2H5*    C  42          2H5*        C  42  92.526  34.134 -89.119
  446    H4*    C  42           H4*        C  42  94.089  32.253 -89.727
  447    H3*    C  42           H3*        C  42  95.973  34.570 -89.847
  448   1H2*    C  42          1H2*        C  42  96.886  33.947 -91.827
  449   2HO*    C  42          2HO*        C  42  96.881  31.789 -92.557
  450    H1*    C  42           H1*        C  42  94.785  32.556 -92.930
  451   1H4     C  42          1H4         C  42  95.575  37.709 -96.532
  452   2H4     C  42          2H4         C  42  95.300  38.770 -95.169
  453    H5     C  42           H5         C  42  94.873  37.970 -92.941
  454    H6     C  42           H6         C  42  94.630  35.976 -91.532
  455   1H5*    C  43          1H5*        C  43  99.468  30.755 -89.802
  456   2H5*    C  43          2H5*        C  43  97.834  31.026 -90.478
  457    H4*    C  43           H4*        C  43  99.471  30.307 -92.200
  458    H3*    C  43           H3*        C  43 100.923  32.694 -91.132
  459   1H2*    C  43          1H2*        C  43 101.544  33.472 -93.188
  460   2HO*    C  43          2HO*        C  43 102.383  31.426 -93.893
  461    H1*    C  43           H1*        C  43  99.338  32.692 -94.669
  462   1H4     C  43          1H4         C  43  98.954  38.959 -93.586
  463   2H4     C  43          2H4         C  43  98.549  38.675 -91.909
  464    H5     C  43           H5         C  43  98.487  36.482 -90.918
  465    H6     C  43           H6         C  43  98.738  34.065 -91.346
  466   1H5*    A  44          1H5*        A  44 101.828  32.593 -87.469
  467   2H5*    A  44          2H5*        A  44 103.334  31.815 -88.043
  468    H4*    A  44           H4*        A  44 103.528  34.278 -87.947
  469    H3*    A  44           H3*        A  44 100.966  34.110 -89.340
  470   1H2*    A  44          1H2*        A  44 101.605  34.800 -91.355
  471   2HO*    A  44          2HO*        A  44 101.352  36.916 -90.464
  472    H1*    A  44           H1*        A  44 104.403  35.494 -90.711
  473    H8     A  44           H8         A  44 103.638  32.042 -91.922
  474   1H6     A  44          1H6         A  44 104.308  32.658 -96.667
  475   2H6     A  44          2H6         A  44 104.534  34.076 -97.668
  476    H2     A  44           H2         A  44 104.409  37.637 -94.929
  477    H3T    A  44           H3T        A  44 101.459  35.393 -87.475
   
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  62.557  36.074-110.504
    2   2H5*    G   1          2H5*        G   1  63.487  37.444-109.835
    3    H4*    G   1           H4*        G   1  62.735  35.476-108.262
    4    H3*    G   1           H3*        G   1  60.222  36.541-109.149
    5   1H2*    G   1          1H2*        G   1  59.910  38.104-107.586
    6   2HO*    G   1          2HO*        G   1  59.942  35.858-105.803
    7    H1*    G   1           H1*        G   1  61.794  36.941-105.603
    8    H8     G   1           H8         G   1  62.663  39.985-107.509
    9    H1     G   1           H1         G   1  59.816  41.306-101.974
   10   1H2     G   1          1H2         G   1  58.784  37.982-102.076
   11   2H2     G   1          2H2         G   1  58.755  39.511-101.223
   12    H5T    G   1           H5T        G   1  61.779  38.125-111.166
   13   1H5*    G   2          1H5*        G   2  56.922  33.010-106.392
   14   2H5*    G   2          2H5*        G   2  58.588  32.809-105.867
   15    H4*    G   2           H4*        G   2  57.519  32.988-103.827
   16    H3*    G   2           H3*        G   2  55.570  34.711-105.320
   17   1H2*    G   2          1H2*        G   2  55.099  36.032-103.504
   18   2HO*    G   2          2HO*        G   2  56.107  33.867-101.952
   19    H1*    G   2           H1*        G   2  57.553  35.959-102.223
   20    H8     G   2           H8         G   2  57.917  36.837-105.825
   21    H1     G   2           H1         G   2  56.292  41.819-102.221
   22   1H2     G   2          1H2         G   2  55.487  39.432 -99.821
   23   2H2     G   2          2H2         G   2  55.565  41.127-100.250
   24   1H5*    G   3          1H5*        G   3  51.845  32.796-101.972
   25   2H5*    G   3          2H5*        G   3  53.596  32.761-102.184
   26    H4*    G   3           H4*        G   3  53.325  34.439-100.568
   27    H3*    G   3           H3*        G   3  50.769  34.916-102.013
   28   1H2*    G   3          1H2*        G   3  50.929  37.261-101.899
   29   2HO*    G   3          2HO*        G   3  51.893  36.571 -99.414
   30    H1*    G   3           H1*        G   3  53.690  37.465-101.279
   31    H8     G   3           H8         G   3  53.221  36.255-104.749
   32    H1     G   3           H1         G   3  53.150  42.595-104.099
   33   1H2     G   3          1H2         G   3  52.410  41.915-100.768
   34   2H2     G   3          2H2         G   3  52.673  43.127-102.001
   35   1H5*    A   4          1H5*        A   4  47.264  35.537 -98.654
   36   2H5*    A   4          2H5*        A   4  47.630  35.307 -96.954
   37    H4*    A   4           H4*        A   4  47.115  37.468 -96.581
   38    H3*    A   4           H3*        A   4  46.757  37.479 -99.589
   39   1H2*    A   4          1H2*        A   4  46.543  39.823 -99.584
   40   2HO*    A   4          2HO*        A   4  46.742  40.938 -97.483
   41    H1*    A   4           H1*        A   4  48.707  40.295 -98.138
   42    H8     A   4           H8         A   4  49.253  37.154-100.016
   43   1H6     A   4          1H6         A   4  50.540  40.560-104.982
   44   2H6     A   4          2H6         A   4  50.656  38.964-104.276
   45    H2     A   4           H2         A   4  48.710  43.231-101.864
   46   1H5*    G   5          1H5*        G   5  42.025  39.374 -97.944
   47   2H5*    G   5          2H5*        G   5  43.727  39.066 -97.595
   48    H4*    G   5           H4*        G   5  43.391  41.428 -98.107
   49    H3*    G   5           H3*        G   5  41.991  40.278-100.485
   50   1H2*    G   5          1H2*        G   5  42.858  41.797-101.966
   51   2HO*    G   5          2HO*        G   5  43.663  43.828-101.278
   52    H1*    G   5           H1*        G   5  45.295  42.327-100.690
   53    H8     G   5           H8         G   5  45.049  38.672-101.108
   54    H1     G   5           H1         G   5  46.921  41.598-106.447
   55   1H2     G   5          1H2         G   5  46.449  43.759-106.364
   56   2H2     G   5          2H2         G   5  45.663  44.487-104.976
   57   1H5*    C   6          1H5*        C   6  38.975  44.177-100.883
   58   2H5*    C   6          2H5*        C   6  40.607  44.409-101.583
   59    H4*    C   6           H4*        C   6  38.800  45.130-103.135
   60    H3*    C   6           H3*        C   6  37.888  42.338-102.584
   61   1H2*    C   6          1H2*        C   6  37.429  41.825-104.757
   62   2HO*    C   6          2HO*        C   6  37.430  44.620-105.322
   63    H1*    C   6           H1*        C   6  39.363  43.328-106.037
   64   1H4     C   6          1H4         C   6  41.730  37.447-106.206
   65   2H4     C   6          2H4         C   6  41.562  37.261-104.476
   66    H5     C   6           H5         C   6  40.637  38.968-103.049
   67    H6     C   6           H6         C   6  39.692  41.226-102.972
   68   1H5*    U   7          1H5*        U   7  32.989  43.939-103.649
   69   2H5*    U   7          2H5*        U   7  34.637  44.279-104.255
   70    H4*    U   7           H4*        U   7  33.352  43.373-106.075
   71    H3*    U   7           H3*        U   7  32.494  41.394-104.003
   72   1H2*    U   7          1H2*        U   7  32.581  39.594-105.428
   73   2HO*    U   7          2HO*        U   7  32.424  41.450-107.584
   74    H1*    U   7           H1*        U   7  34.560  40.533-107.201
   75    H3     U   7           H3         U   7  36.429  36.650-106.014
   76    H5     U   7           H5         U   7  36.264  38.764-102.373
   77    H6     U   7           H6         U   7  35.035  40.513-103.513
   78   1H5*    C   8          1H5*        C   8  29.979  39.279-104.063
   79   2H5*    C   8          2H5*        C   8  28.212  39.544-103.979
   80    H4*    C   8           H4*        C   8  28.680  37.439-105.107
   81    H3*    C   8           H3*        C   8  30.721  39.070-106.440
   82   1H2*    C   8          1H2*        C   8  30.016  38.912-108.536
   83   2HO*    C   8          2HO*        C   8  29.319  36.194-108.042
   84    H1*    C   8           H1*        C   8  27.521  37.512-108.207
   85   1H4     C   8          1H4         C   8  26.131  42.393-111.963
   86   2H4     C   8          2H4         C   8  27.115  43.472-111.000
   87    H5     C   8           H5         C   8  28.337  42.738-109.051
   88    H6     C   8           H6         C   8  28.913  40.859-107.631
   89   1H5*    A   9          1H5*        A   9  32.117  34.449-108.086
   90   2H5*    A   9          2H5*        A   9  30.559  35.125-108.644
   91    H4*    A   9           H4*        A   9  31.762  33.860-110.414
   92    H3*    A   9           H3*        A   9  33.881  35.873-109.752
   93   1H2*    A   9          1H2*        A   9  34.445  36.214-111.953
   94   2HO*    A   9          2HO*        A   9  34.620  33.935-112.415
   95    H1*    A   9           H1*        A   9  31.952  35.895-113.109
   96    H8     A   9           H8         A   9  31.053  38.332-110.684
   97   1H6     A   9          1H6         A   9  34.686  42.564-113.292
   98   2H6     A   9          2H6         A   9  33.379  42.298-112.161
   99    H2     A   9           H2         A   9  35.824  38.538-114.936
  100   1H5*    A  10          1H5*        A  10  37.945  32.578-110.651
  101   2H5*    A  10          2H5*        A  10  36.311  32.593-111.380
  102    H4*    A  10           H4*        A  10  37.684  33.126-113.186
  103    H3*    A  10           H3*        A  10  39.355  34.566-111.158
  104   1H2*    A  10          1H2*        A  10  39.969  36.221-112.631
  105   2HO*    A  10          2HO*        A  10  40.596  34.715-114.290
  106    H1*    A  10           H1*        A  10  37.667  36.391-114.138
  107    H8     A  10           H8         A  10  36.680  36.545-110.539
  108   1H6     A  10          1H6         A  10  38.789  42.326-110.380
  109   2H6     A  10          2H6         A  10  37.845  41.123-109.532
  110    H2     A  10           H2         A  10  40.207  40.414-114.192
  111   1H5*    C  11          1H5*        C  11  43.828  33.782-113.668
  112   2H5*    C  11          2H5*        C  11  42.174  33.927-114.334
  113    H4*    C  11           H4*        C  11  43.463  35.776-115.174
  114    H3*    C  11           H3*        C  11  44.388  35.963-112.331
  115   1H2*    C  11          1H2*        C  11  44.334  38.252-112.276
  116   2HO*    C  11          2HO*        C  11  45.546  38.350-114.324
  117    H1*    C  11           H1*        C  11  42.225  38.725-113.985
  118   1H4     C  11          1H4         C  11  40.101  38.063-107.749
  119   2H4     C  11          2H4         C  11  39.978  39.763-108.145
  120    H5     C  11           H5         C  11  41.062  36.430-109.231
  121    H6     C  11           H6         C  11  42.072  36.062-111.432
  122   1H5*    U  12          1H5*        U  12  48.526  38.798-114.524
  123   2H5*    U  12          2H5*        U  12  46.963  38.407-115.300
  124    H4*    U  12           H4*        U  12  47.221  40.790-115.371
  125    H3*    U  12           H3*        U  12  48.094  40.432-112.530
  126   1H2*    U  12          1H2*        U  12  47.047  42.334-111.793
  127   2HO*    U  12          2HO*        U  12  46.918  43.206-114.502
  128    H1*    U  12           H1*        U  12  44.890  42.382-113.576
  129    H3     U  12           H3         U  12  42.388  41.916-109.912
  130    H5     U  12           H5         U  12  45.235  38.839-109.466
  131    H6     U  12           H6         U  12  46.270  39.588-111.531
  132   1H5*    C  13          1H5*        C  13  51.075  44.785-113.320
  133   2H5*    C  13          2H5*        C  13  49.639  44.040-114.013
  134    H4*    C  13           H4*        C  13  49.005  46.132-112.991
  135    H3*    C  13           H3*        C  13  50.640  45.070-110.713
  136   1H2*    C  13          1H2*        C  13  49.182  45.913-109.103
  137   2HO*    C  13          2HO*        C  13  48.288  47.538-111.223
  138    H1*    C  13           H1*        C  13  46.863  45.282-110.246
  139   1H4     C  13          1H4         C  13  47.838  40.019-106.908
  140   2H4     C  13          2H4         C  13  48.736  39.348-108.251
  141    H5     C  13           H5         C  13  49.468  40.661-110.132
  142    H6     C  13           H6         C  13  49.342  42.851-111.215
  143   1H5*    U  14          1H5*        U  14  52.033  49.550-108.718
  144   2H5*    U  14          2H5*        U  14  50.564  49.166-109.607
  145    H4*    U  14           H4*        U  14  49.817  49.667-107.440
  146    H3*    U  14           H3*        U  14  52.197  48.066-106.520
  147   1H2*    U  14          1H2*        U  14  51.073  47.493-104.560
  148   2HO*    U  14          2HO*        U  14  49.236  49.564-105.262
  149    H1*    U  14           H1*        U  14  48.573  47.184-105.694
  150    H3     U  14           H3         U  14  49.848  43.188-103.954
  151    H5     U  14           H5         U  14  51.677  43.363-107.743
  152    H6     U  14           H6         U  14  51.024  45.686-107.882
  153   1H5*    C  15          1H5*        C  15  53.798  51.381-102.764
  154   2H5*    C  15          2H5*        C  15  52.281  51.253-103.649
  155    H4*    C  15           H4*        C  15  51.883  50.351-101.475
  156    H3*    C  15           H3*        C  15  54.548  49.054-101.914
  157   1H2*    C  15          1H2*        C  15  53.939  47.077-100.911
  158   2HO*    C  15          2HO*        C  15  52.016  48.686 -99.622
  159    H1*    C  15           H1*        C  15  51.315  46.969-101.637
  160   1H4     C  15          1H4         C  15  53.802  42.858-105.693
  161   2H4     C  15          2H4         C  15  54.157  44.172-106.795
  162    H5     C  15           H5         C  15  54.162  46.500-106.109
  163    H6     C  15           H6         C  15  53.355  48.066-104.415
  164   1H5*    C  16          1H5*        C  16  55.287  48.859 -96.777
  165   2H5*    C  16          2H5*        C  16  53.961  49.116 -97.907
  166    H4*    C  16           H4*        C  16  53.743  46.895 -97.050
  167    H3*    C  16           H3*        C  16  56.684  46.752 -97.636
  168   1H2*    C  16          1H2*        C  16  56.537  44.555 -98.259
  169   2HO*    C  16          2HO*        C  16  54.249  44.514 -96.606
  170    H1*    C  16           H1*        C  16  53.925  44.523 -99.173
  171   1H4     C  16          1H4         C  16  57.542  45.083-104.566
  172   2H4     C  16          2H4         C  16  57.352  43.362-104.308
  173    H5     C  16           H5         C  16  56.926  46.741-102.918
  174    H6     C  16           H6         C  16  55.933  47.087-100.697
  175   1H5*    C  17          1H5*        C  17  56.776  42.956 -93.762
  176   2H5*    C  17          2H5*        C  17  55.399  43.656 -94.601
  177    H4*    C  17           H4*        C  17  55.243  41.373 -95.101
  178    H3*    C  17           H3*        C  17  58.232  41.509 -95.241
  179   1H2*    C  17          1H2*        C  17  58.365  39.852 -96.843
  180   2HO*    C  17          2HO*        C  17  55.661  39.242 -96.149
  181    H1*    C  17           H1*        C  17  56.094  40.500 -98.268
  182   1H4     C  17          1H4         C  17  60.617  44.434-100.913
  183   2H4     C  17          2H4         C  17  60.613  42.991-101.902
  184    H5     C  17           H5         C  17  59.392  44.623 -98.845
  185    H6     C  17           H6         C  17  57.979  43.426 -97.231
  186   1H5*    C  18          1H5*        C  18  60.071  37.581 -93.554
  187   2H5*    C  18          2H5*        C  18  58.506  37.989 -94.248
  188    H4*    C  18           H4*        C  18  59.811  37.332 -96.086
  189    H3*    C  18           H3*        C  18  62.010  38.863 -94.719
  190   1H2*    C  18          1H2*        C  18  62.941  39.505 -96.738
  191   2HO*    C  18          2HO*        C  18  61.725  37.132 -97.643
  192    H1*    C  18           H1*        C  18  60.581  39.462 -98.279
  193   1H4     C  18          1H4         C  18  62.192  45.512 -98.431
  194   2H4     C  18          2H4         C  18  61.237  45.790 -96.990
  195    H5     C  18           H5         C  18  60.404  44.002 -95.593
  196    H6     C  18           H6         C  18  60.126  41.565 -95.406
  197   1H5*    C  19          1H5*        C  19  64.988  35.058 -97.269
  198   2H5*    C  19          2H5*        C  19  63.331  35.627 -97.419
  199    H4*    C  19           H4*        C  19  64.178  36.016 -99.550
  200    H3*    C  19           H3*        C  19  66.738  36.609 -98.103
  201   1H2*    C  19          1H2*        C  19  67.415  38.150 -99.663
  202   2HO*    C  19          2HO*        C  19  66.342  38.195-101.783
  203    H1*    C  19           H1*        C  19  64.909  39.026-100.500
  204   1H4     C  19          1H4         C  19  67.263  44.091 -97.615
  205   2H4     C  19          2H4         C  19  66.642  43.502 -96.085
  206    H5     C  19           H5         C  19  65.807  41.249 -95.774
  207    H6     C  19           H6         C  19  65.204  39.158 -96.907
  208   1H5*    C  20          1H5*        C  20  69.760  34.213-101.911
  209   2H5*    C  20          2H5*        C  20  68.109  34.712-102.248
  210    H4*    C  20           H4*        C  20  69.372  35.787-103.907
  211    H3*    C  20           H3*        C  20  71.391  36.105-101.722
  212   1H2*    C  20          1H2*        C  20  72.138  38.123-102.437
  213   2HO*    C  20          2HO*        C  20  70.922  37.460-104.932
  214    H1*    C  20           H1*        C  20  69.813  39.186-103.362
  215   1H4     C  20          1H4         C  20  70.473  41.890 -97.716
  216   2H4     C  20          2H4         C  20  69.678  40.515 -96.979
  217    H5     C  20           H5         C  20  69.248  38.460 -98.164
  218    H6     C  20           H6         C  20  69.272  37.361-100.363
  219   1H5*    C  21          1H5*        C  21  75.081  35.630-104.478
  220   2H5*    C  21          2H5*        C  21  73.883  36.891-104.062
  221    H4*    C  21           H4*        C  21  76.237  37.682-103.934
  222    H3*    C  21           H3*        C  21  76.392  35.412-101.987
  223   1H2*    C  21          1H2*        C  21  77.658  36.613-100.487
  224   2HO*    C  21          2HO*        C  21  78.379  38.186-102.739
  225    H1*    C  21           H1*        C  21  76.736  39.201-101.161
  226   1H4     C  21          1H4         C  21  75.171  37.580 -95.163
  227   2H4     C  21          2H4         C  21  73.509  37.638 -95.705
  228    H5     C  21           H5         C  21  72.890  37.871 -98.008
  229    H6     C  21           H6         C  21  73.695  38.094-100.320
  230   1H5*    U  22          1H5*        U  22  80.396  36.529-104.643
  231   2H5*    U  22          2H5*        U  22  81.174  37.684-103.516
  232    H4*    U  22           H4*        U  22  82.908  35.956-103.023
  233    H3*    U  22           H3*        U  22  82.686  37.596-105.284
  234   1H2*    U  22          1H2*        U  22  82.231  36.055-106.880
  235   2HO*    U  22          2HO*        U  22  84.334  36.522-107.460
  236    H1*    U  22           H1*        U  22  83.623  33.774-105.567
  237    H3     U  22           H3         U  22  81.486  32.760-109.679
  238    H5     U  22           H5         U  22  78.827  32.026-106.493
  239    H6     U  22           H6         U  22  80.358  33.204-105.028
  240   1H5*    U  23          1H5*        U  23  85.693  35.667-107.066
  241   2H5*    U  23          2H5*        U  23  86.624  36.933-107.921
  242    H4*    U  23           H4*        U  23  87.716  34.770-108.187
  243    H3*    U  23           H3*        U  23  87.390  34.682-105.210
  244   1H2*    U  23          1H2*        U  23  89.403  33.601-104.890
  245   2HO*    U  23          2HO*        U  23  89.493  33.134-107.699
  246    H1*    U  23           H1*        U  23  90.866  34.915-106.763
  247    H3     U  23           H3         U  23  92.084  35.716-102.353
  248    H5     U  23           H5         U  23  89.494  38.823-103.540
  249    H6     U  23           H6         U  23  88.982  37.538-105.536
  250   1H5*    U  24          1H5*        U  24  87.146  30.268-104.358
  251   2H5*    U  24          2H5*        U  24  88.359  31.417-104.991
  252    H4*    U  24           H4*        U  24  88.914  30.141-102.822
  253    H3*    U  24           H3*        U  24  86.799  32.069-101.885
  254   1H2*    U  24          1H2*        U  24  87.928  32.406 -99.920
  255   2HO*    U  24          2HO*        U  24  88.214  30.132 -99.495
  256    H1*    U  24           H1*        U  24  90.508  32.116-100.948
  257    H3     U  24           H3         U  24  90.124  36.079 -98.737
  258    H5     U  24           H5         U  24  88.177  36.720-102.413
  259    H6     U  24           H6         U  24  88.482  34.367-102.918
  260   1H5*    U  25          1H5*        U  25  84.149  29.160 -98.491
  261   2H5*    U  25          2H5*        U  25  85.802  28.842 -98.989
  262    H4*    U  25           H4*        U  25  85.939  29.358 -96.699
  263    H3*    U  25           H3*        U  25  84.041  31.619 -97.332
  264   1H2*    U  25          1H2*        U  25  84.909  32.802 -95.516
  265   2HO*    U  25          2HO*        U  25  86.279  31.757 -93.975
  266    H1*    U  25           H1*        U  25  87.500  31.985 -95.805
  267    H3     U  25           H3         U  25  87.425  36.502 -96.136
  268    H5     U  25           H5         U  25  86.605  35.063-100.009
  269    H6     U  25           H6         U  25  86.300  32.850 -99.053
  270   1H5*    C  26          1H5*        C  26  81.087  31.067 -93.178
  271   2H5*    C  26          2H5*        C  26  82.718  30.558 -93.593
  272    H4*    C  26           H4*        C  26  82.956  32.329 -92.034
  273    H3*    C  26           H3*        C  26  80.829  33.649 -93.696
  274   1H2*    C  26          1H2*        C  26  81.696  35.743 -93.284
  275   2HO*    C  26          2HO*        C  26  83.286  36.011 -91.540
  276    H1*    C  26           H1*        C  26  84.370  35.016 -93.044
  277   1H4     C  26          1H4         C  26  84.368  38.309 -98.403
  278   2H4     C  26          2H4         C  26  83.999  36.846 -99.292
  279    H5     C  26           H5         C  26  83.306  34.791 -98.226
  280    H6     C  26           H6         C  26  82.987  33.652 -96.082
  281   1H5*    C  27          1H5*        C  27  77.792  36.123 -91.369
  282   2H5*    C  27          2H5*        C  27  77.832  36.232 -89.596
  283    H4*    C  27           H4*        C  27  79.297  38.048 -89.633
  284    H3*    C  27           H3*        C  27  77.420  38.137 -91.985
  285   1H2*    C  27          1H2*        C  27  78.411  40.017 -92.848
  286   2HO*    C  27          2HO*        C  27  79.630  41.444 -91.569
  287    H1*    C  27           H1*        C  27  81.009  39.570 -91.876
  288   1H4     C  27          1H4         C  27  81.678  39.025 -98.097
  289   2H4     C  27          2H4         C  27  81.432  37.299 -97.942
  290    H5     C  27           H5         C  27  80.537  36.267 -95.953
  291    H6     C  27           H6         C  27  79.976  36.629 -93.591
  292   1H5*    G  28          1H5*        G  28  74.675  42.431 -90.067
  293   2H5*    G  28          2H5*        G  28  76.244  41.877 -89.496
  294    H4*    G  28           H4*        G  28  76.661  44.053 -90.276
  295    H3*    G  28           H3*        G  28  74.685  43.330 -92.416
  296   1H2*    G  28          1H2*        G  28  75.772  44.518 -94.058
  297   2HO*    G  28          2HO*        G  28  77.036  45.883 -91.900
  298    H1*    G  28           H1*        G  28  78.372  44.119 -93.281
  299    H8     G  28           H8         G  28  76.442  40.885 -93.151
  300    H1     G  28           H1         G  28  78.640  42.294 -98.960
  301   1H2     G  28          1H2         G  28  79.095  45.500 -97.691
  302   2H2     G  28          2H2         G  28  79.228  44.422 -99.063
  303   1H5*    A  29          1H5*        A  29  73.880  48.556 -92.769
  304   2H5*    A  29          2H5*        A  29  75.108  47.484 -92.110
  305    H4*    A  29           H4*        A  29  76.152  48.651 -93.887
  306    H3*    A  29           H3*        A  29  73.594  48.072 -95.371
  307   1H2*    A  29          1H2*        A  29  74.733  47.959 -97.397
  308   2HO*    A  29          2HO*        A  29  76.790  49.344 -96.006
  309    H1*    A  29           H1*        A  29  77.042  46.773 -96.461
  310    H8     A  29           H8         A  29  74.053  44.924 -95.125
  311   1H6     A  29          1H6         A  29  74.259  41.614-100.320
  312   2H6     A  29          2H6         A  29  73.658  41.668 -98.676
  313    H2     A  29           H2         A  29  76.781  45.287-100.900
  314   1H5*    G  30          1H5*        G  30  73.083  51.905 -98.426
  315   2H5*    G  30          2H5*        G  30  74.561  51.278 -97.708
  316    H4*    G  30           H4*        G  30  74.610  50.644 -99.997
  317    H3*    G  30           H3*        G  30  71.723  49.960 -99.525
  318   1H2*    G  30          1H2*        G  30  71.800  48.155-100.992
  319   2HO*    G  30          2HO*        G  30  73.709  47.837-102.332
  320    H1*    G  30           H1*        G  30  74.243  47.183-100.341
  321    H8     G  30           H8         G  30  72.389  48.242 -97.190
  322    H1     G  30           H1         G  30  70.879  42.449 -99.340
  323   1H2     G  30          1H2         G  30  72.357  43.515-102.303
  324   2H2     G  30          2H2         G  30  71.530  42.234-101.445
  325   1H5*    G  31          1H5*        G  31  70.488  51.490-104.482
  326   2H5*    G  31          2H5*        G  31  71.977  51.034-103.663
  327    H4*    G  31           H4*        G  31  71.478  49.294-105.221
  328    H3*    G  31           H3*        G  31  68.709  49.636-104.140
  329   1H2*    G  31          1H2*        G  31  68.225  47.369-104.269
  330   2HO*    G  31          2HO*        G  31  69.735  45.955-105.456
  331    H1*    G  31           H1*        G  31  70.698  46.372-103.585
  332    H8     G  31           H8         G  31  69.709  49.201-101.276
  333    H1     G  31           H1         G  31  67.375  43.551 -99.476
  334   1H2     G  31          1H2         G  31  68.097  42.523-102.702
  335   2H2     G  31          2H2         G  31  67.442  42.122-101.133
  336   1H5*    G  32          1H5*        G  32  67.599  46.837-108.107
  337   2H5*    G  32          2H5*        G  32  68.825  47.348-106.950
  338    H4*    G  32           H4*        G  32  68.379  45.143-106.339
  339    H3*    G  32           H3*        G  32  65.498  45.803-106.910
  340   1H2*    G  32          1H2*        G  32  64.777  44.339-105.254
  341   2HO*    G  32          2HO*        G  32  67.097  43.006-106.008
  342    H1*    G  32           H1*        G  32  67.091  44.456-103.632
  343    H8     G  32           H8         G  32  65.548  47.845-103.789
  344    H1     G  32           H1         G  32  62.777  43.926 -99.608
  345   1H2     G  32          1H2         G  32  64.298  41.399-101.461
  346   2H2     G  32          2H2         G  32  63.270  41.823-100.111
  347   1H5*    U  33          1H5*        U  33  66.894  42.879-110.940
  348   2H5*    U  33          2H5*        U  33  65.620  41.729-110.436
  349    H4*    U  33           H4*        U  33  65.463  42.068-112.825
  350    H3*    U  33           H3*        U  33  66.340  44.669-112.287
  351   1H2*    U  33          1H2*        U  33  64.377  45.686-111.793
  352   2HO*    U  33          2HO*        U  33  63.283  46.398-113.698
  353    H1*    U  33           H1*        U  33  62.636  43.918-113.442
  354    H3     U  33           H3         U  33  60.135  47.115-111.088
  355    H5     U  33           H5         U  33  60.827  43.840-108.525
  356    H6     U  33           H6         U  33  62.427  42.997-110.142
  357   1H5*    C  34          1H5*        C  34  68.239  42.010-114.521
  358   2H5*    C  34          2H5*        C  34  69.123  43.004-115.719
  359    H4*    C  34           H4*        C  34  70.777  41.721-114.566
  360    H3*    C  34           H3*        C  34  69.146  42.416-112.150
  361   1H2*    C  34          1H2*        C  34  70.937  42.776-110.796
  362   2HO*    C  34          2HO*        C  34  73.029  41.967-111.294
  363    H1*    C  34           H1*        C  34  72.723  43.857-112.578
  364   1H4     C  34          1H4         C  34  68.476  47.745-109.254
  365   2H4     C  34          2H4         C  34  70.083  48.197-108.734
  366    H5     C  34           H5         C  34  68.067  46.094-111.006
  367    H6     C  34           H6         C  34  69.089  44.441-112.448
  368   1H5*    A  35          1H5*        A  35  72.176  38.135-111.096
  369   2H5*    A  35          2H5*        A  35  71.734  39.577-112.052
  370    H4*    A  35           H4*        A  35  73.624  40.335-111.032
  371    H3*    A  35           H3*        A  35  73.345  38.160-109.271
  372   1H2*    A  35          1H2*        A  35  72.381  39.182-107.500
  373   2HO*    A  35          2HO*        A  35  73.930  40.265-106.172
  374    H1*    A  35           H1*        A  35  73.382  41.920-108.071
  375    H8     A  35           H8         A  35  69.962  41.420-109.015
  376   1H6     A  35          1H6         A  35  67.674  42.842-105.026
  377   2H6     A  35          2H6         A  35  68.168  43.007-103.361
  378    H2     A  35           H2         A  35  72.515  41.877-103.159
  379   1H5*    U  36          1H5*        U  36  78.682  40.076-109.141
  380   2H5*    U  36          2H5*        U  36  77.087  40.475-109.750
  381    H4*    U  36           H4*        U  36  77.805  42.456-108.778
  382    H3*    U  36           H3*        U  36  78.977  40.710-106.625
  383   1H2*    U  36          1H2*        U  36  78.747  42.411-105.082
  384   2HO*    U  36          2HO*        U  36  78.853  44.055-107.369
  385    H1*    U  36           H1*        U  36  76.470  43.602-106.171
  386    H3     U  36           H3         U  36  75.751  42.688-101.775
  387    H5     U  36           H5         U  36  74.773  39.194-103.905
  388    H6     U  36           H6         U  36  75.820  40.150-105.856
  389   1H5*    C  37          1H5*        C  37  82.845  44.242-106.686
  390   2H5*    C  37          2H5*        C  37  81.214  43.924-107.268
  391    H4*    C  37           H4*        C  37  81.054  45.462-105.445
  392    H3*    C  37           H3*        C  37  82.823  43.489-104.001
  393   1H2*    C  37          1H2*        C  37  81.796  44.024-101.997
  394   2HO*    C  37          2HO*        C  37  80.571  45.977-101.775
  395    H1*    C  37           H1*        C  37  79.278  44.667-103.053
  396   1H4     C  37          1H4         C  37  78.523  39.600 -99.373
  397   2H4     C  37          2H4         C  37  78.688  38.584-100.789
  398    H5     C  37           H5         C  37  79.481  39.401-102.913
  399    H6     C  37           H6         C  37  80.040  41.401-104.198
  400   1H5*    G  38          1H5*        G  38  85.818  47.701-102.060
  401   2H5*    G  38          2H5*        G  38  84.231  47.740-102.819
  402    H4*    G  38           H4*        G  38  83.962  48.731-100.674
  403    H3*    G  38           H3*        G  38  85.727  46.474 -99.796
  404   1H2*    G  38          1H2*        G  38  84.647  46.188 -97.781
  405   2HO*    G  38          2HO*        G  38  83.533  48.768 -98.276
  406    H1*    G  38           H1*        G  38  82.080  46.604 -98.605
  407    H8     G  38           H8         G  38  83.985  44.545-101.145
  408    H1     G  38           H1         G  38  81.600  41.108 -96.340
  409   1H2     G  38          1H2         G  38  81.244  44.168 -94.724
  410   2H2     G  38          2H2         G  38  81.048  42.431 -94.655
  411   1H5*    G  39          1H5*        G  39  88.397  48.330 -96.163
  412   2H5*    G  39          2H5*        G  39  86.786  48.705 -96.756
  413    H4*    G  39           H4*        G  39  86.510  47.382 -94.797
  414    H3*    G  39           H3*        G  39  88.579  45.586 -96.057
  415   1H2*    G  39          1H2*        G  39  87.613  43.739 -95.067
  416   2HO*    G  39          2HO*        G  39  86.455  45.612 -93.263
  417    H1*    G  39           H1*        G  39  84.981  44.656 -95.081
  418    H8     G  39           H8         G  39  86.371  44.722 -98.553
  419    H1     G  39           H1         G  39  84.654  38.885 -96.633
  420   1H2     G  39          1H2         G  39  84.436  38.847 -94.427
  421   2H2     G  39          2H2         G  39  84.705  40.263 -93.436
  422   1H5*    A  40          1H5*        A  40  91.575  45.099 -91.484
  423   2H5*    A  40          2H5*        A  40  89.937  45.738 -91.480
  424    H4*    A  40           H4*        A  40  89.866  43.924 -89.984
  425    H3*    A  40           H3*        A  40  91.675  42.605 -91.982
  426   1H2*    A  40          1H2*        A  40  90.791  40.500 -91.590
  427   2HO*    A  40          2HO*        A  40  89.831  41.673 -89.202
  428    H1*    A  40           H1*        A  40  88.172  41.173 -91.351
  429    H8     A  40           H8         A  40  89.705  43.177 -94.143
  430   1H6     A  40          1H6         A  40  88.114  38.504 -97.836
  431   2H6     A  40          2H6         A  40  88.544  40.199 -97.775
  432    H2     A  40           H2         A  40  87.940  37.049 -93.593
  433   1H5*    A  41          1H5*        A  41  93.163  39.243 -88.604
  434   2H5*    A  41          2H5*        A  41  91.565  39.993 -88.868
  435    H4*    A  41           H4*        A  41  91.414  37.569 -89.074
  436    H3*    A  41           H3*        A  41  93.636  37.958 -91.057
  437   1H2*    A  41          1H2*        A  41  92.800  36.294 -92.422
  438   2HO*    A  41          2HO*        A  41  91.404  34.678 -91.631
  439    H1*    A  41           H1*        A  41  90.103  36.595 -91.794
  440    H8     A  41           H8         A  41  92.075  39.620 -93.062
  441   1H6     A  41          1H6         A  41  91.401  39.017 -97.797
  442   2H6     A  41          2H6         A  41  90.717  37.720 -98.751
  443    H2     A  41           H2         A  41  89.392  34.543 -95.859
  444   1H5*    C  42          1H5*        C  42  95.828  33.528 -90.107
  445   2H5*    C  42          2H5*        C  42  94.096  33.780 -90.466
  446    H4*    C  42           H4*        C  42  95.214  32.089 -91.934
  447    H3*    C  42           H3*        C  42  96.893  34.486 -92.590
  448   1H2*    C  42          1H2*        C  42  96.893  34.044 -94.811
  449   2HO*    C  42          2HO*        C  42  96.470  31.966 -95.660
  450    H1*    C  42           H1*        C  42  94.456  32.809 -95.063
  451   1H4     C  42          1H4         C  42  93.728  38.407 -97.929
  452   2H4     C  42          2H4         C  42  94.150  39.274 -96.469
  453    H5     C  42           H5         C  42  94.774  38.179 -94.421
  454    H6     C  42           H6         C  42  95.116  36.013 -93.317
  455   1H5*    C  43          1H5*        C  43 100.299  31.335 -94.586
  456   2H5*    C  43          2H5*        C  43  98.513  31.341 -94.678
  457    H4*    C  43           H4*        C  43  99.665  31.291 -96.906
  458    H3*    C  43           H3*        C  43 100.742  33.874 -95.833
  459   1H2*    C  43          1H2*        C  43 100.491  34.970 -97.826
  460   2HO*    C  43          2HO*        C  43 100.335  32.424 -99.103
  461    H1*    C  43           H1*        C  43  98.271  33.554 -98.815
  462   1H4     C  43          1H4         C  43  96.222  39.403 -97.412
  463   2H4     C  43          2H4         C  43  96.543  39.157 -95.710
  464    H5     C  43           H5         C  43  97.551  37.153 -94.834
  465    H6     C  43           H6         C  43  98.414  34.923 -95.392
  466   1H5*    A  44          1H5*        A  44 105.365  32.764 -98.282
  467   2H5*    A  44          2H5*        A  44 103.729  32.562 -98.978
  468    H4*    A  44           H4*        A  44 105.180  33.781-100.523
  469    H3*    A  44           H3*        A  44 105.945  35.190 -98.087
  470   1H2*    A  44          1H2*        A  44 105.033  37.166 -98.503
  471   2HO*    A  44          2HO*        A  44 105.725  38.308-100.382
  472    H1*    A  44           H1*        A  44 104.062  36.658-101.245
  473    H8     A  44           H8         A  44 102.384  36.250 -97.813
  474   1H6     A  44          1H6         A  44  99.391  40.045 -98.046
  475   2H6     A  44          2H6         A  44  99.173  41.321 -99.223
  476    H2     A  44           H2         A  44 102.146  40.583-102.512
  477    H3T    A  44           H3T        A  44 107.368  34.230 -99.635
   
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1  60.568  35.886-109.771
    2   2H5*    G   1          2H5*        G   1  61.195  37.534-109.478
    3    H4*    G   1           H4*        G   1  60.975  35.666-107.550
    4    H3*    G   1           H3*        G   1  58.253  36.760-107.935
    5   1H2*    G   1          1H2*        G   1  58.139  37.929-106.020
    6   2HO*    G   1          2HO*        G   1  59.483  35.839-104.629
    7    H1*    G   1           H1*        G   1  60.825  37.300-104.992
    8    H8     G   1           H8         G   1  60.608  40.192-107.220
    9    H1     G   1           H1         G   1  59.158  41.744-101.225
   10   1H2     G   1          1H2         G   1  58.867  38.318-100.766
   11   2H2     G   1          2H2         G   1  58.750  39.919-100.069
   12    H5T    G   1           H5T        G   1  59.028  38.213-109.214
   13   1H5*    G   2          1H5*        G   2  57.615  32.287-104.658
   14   2H5*    G   2          2H5*        G   2  59.205  32.303-103.903
   15    H4*    G   2           H4*        G   2  57.724  32.005-102.101
   16    H3*    G   2           H3*        G   2  55.984  33.905-103.630
   17   1H2*    G   2          1H2*        G   2  55.178  34.948-101.766
   18   2HO*    G   2          2HO*        G   2  55.952  32.587-100.380
   19    H1*    G   2           H1*        G   2  57.375  34.723-100.100
   20    H8     G   2           H8         G   2  58.403  36.137-103.401
   21    H1     G   2           H1         G   2  55.675  40.496 -99.678
   22   1H2     G   2          1H2         G   2  54.594  37.852 -97.740
   23   2H2     G   2          2H2         G   2  54.646  39.590 -97.992
   24   1H5*    G   3          1H5*        G   3  51.455  31.843-101.915
   25   2H5*    G   3          2H5*        G   3  53.100  31.747-101.291
   26    H4*    G   3           H4*        G   3  51.968  33.156 -99.761
   27    H3*    G   3           H3*        G   3  50.650  34.182-102.237
   28   1H2*    G   3          1H2*        G   3  50.620  36.362-101.569
   29   2HO*    G   3          2HO*        G   3  50.921  36.877 -99.266
   30    H1*    G   3           H1*        G   3  52.838  36.385 -99.915
   31    H8     G   3           H8         G   3  53.641  35.135-103.368
   32    H1     G   3           H1         G   3  53.605  41.486-102.848
   33   1H2     G   3          1H2         G   3  51.826  40.921 -99.912
   34   2H2     G   3          2H2         G   3  52.515  42.090-101.016
   35   1H5*    A   4          1H5*        A   4  46.090  35.129 -99.149
   36   2H5*    A   4          2H5*        A   4  47.660  34.768 -98.446
   37    H4*    A   4           H4*        A   4  47.058  36.752 -97.370
   38    H3*    A   4           H3*        A   4  45.805  37.448-100.002
   39   1H2*    A   4          1H2*        A   4  46.206  39.716 -99.772
   40   2HO*    A   4          2HO*        A   4  46.643  39.101 -97.025
   41    H1*    A   4           H1*        A   4  48.685  39.594 -98.662
   42    H8     A   4           H8         A   4  48.414  36.988-101.337
   43   1H6     A   4          1H6         A   4  50.208  41.365-105.285
   44   2H6     A   4          2H6         A   4  50.049  39.642-105.034
   45    H2     A   4           H2         A   4  48.908  43.351-101.460
   46   1H5*    G   5          1H5*        G   5  41.494  39.853 -98.954
   47   2H5*    G   5          2H5*        G   5  42.874  39.833 -97.867
   48    H4*    G   5           H4*        G   5  42.889  42.027 -98.628
   49    H3*    G   5           H3*        G   5  41.848  40.841-101.172
   50   1H2*    G   5          1H2*        G   5  42.906  42.391-102.512
   51   2HO*    G   5          2HO*        G   5  42.549  44.002-100.275
   52    H1*    G   5           H1*        G   5  45.127  42.922-100.918
   53    H8     G   5           H8         G   5  44.803  39.251-101.486
   54    H1     G   5           H1         G   5  47.615  42.269-106.326
   55   1H2     G   5          1H2         G   5  47.160  44.435-106.282
   56   2H2     G   5          2H2         G   5  46.160  45.144-105.027
   57   1H5*    C   6          1H5*        C   6  38.517  44.369-101.775
   58   2H5*    C   6          2H5*        C   6  40.263  44.417-102.175
   59    H4*    C   6           H4*        C   6  38.909  45.264-104.048
   60    H3*    C   6           H3*        C   6  37.472  42.681-103.590
   61   1H2*    C   6          1H2*        C   6  37.303  42.135-105.798
   62   2HO*    C   6          2HO*        C   6  36.428  44.197-106.401
   63    H1*    C   6           H1*        C   6  39.652  43.243-106.754
   64   1H4     C   6          1H4         C   6  40.628  36.969-106.393
   65   2H4     C   6          2H4         C   6  40.746  37.057-104.650
   66    H5     C   6           H5         C   6  40.383  39.085-103.402
   67    H6     C   6           H6         C   6  39.812  41.465-103.558
   68   1H5*    U   7          1H5*        U   7  33.045  43.915-105.405
   69   2H5*    U   7          2H5*        U   7  34.753  44.199-105.856
   70    H4*    U   7           H4*        U   7  33.817  42.631-107.430
   71    H3*    U   7           H3*        U   7  32.733  41.362-104.950
   72   1H2*    U   7          1H2*        U   7  33.140  39.219-105.632
   73   2HO*    U   7          2HO*        U   7  33.347  38.682-107.851
   74    H1*    U   7           H1*        U   7  35.339  39.692-107.324
   75    H3     U   7           H3         U   7  37.058  36.632-104.537
   76    H5     U   7           H5         U   7  36.288  39.911-102.004
   77    H6     U   7           H6         U   7  35.235  41.030-103.875
   78   1H5*    C   8          1H5*        C   8  29.766  39.013-105.041
   79   2H5*    C   8          2H5*        C   8  28.129  39.102-105.760
   80    H4*    C   8           H4*        C   8  29.094  36.900-106.153
   81    H3*    C   8           H3*        C   8  31.487  38.436-106.637
   82   1H2*    C   8          1H2*        C   8  31.646  38.322-108.849
   83   2HO*    C   8          2HO*        C   8  31.324  35.507-108.507
   84    H1*    C   8           H1*        C   8  29.491  36.438-109.444
   85   1H4     C   8          1H4         C   8  29.206  40.577-114.202
   86   2H4     C   8          2H4         C   8  29.465  41.917-113.108
   87    H5     C   8           H5         C   8  29.782  41.625-110.731
   88    H6     C   8           H6         C   8  29.948  40.033-108.908
   89   1H5*    A   9          1H5*        A   9  34.211  33.789-106.967
   90   2H5*    A   9          2H5*        A   9  32.651  33.744-107.838
   91    H4*    A   9           H4*        A   9  34.562  32.820-109.154
   92    H3*    A   9           H3*        A   9  35.596  35.585-108.654
   93   1H2*    A   9          1H2*        A   9  36.368  35.850-110.792
   94   2HO*    A   9          2HO*        A   9  36.231  33.020-111.103
   95    H1*    A   9           H1*        A   9  34.495  34.308-112.148
   96    H8     A   9           H8         A   9  32.283  36.535-110.481
   97   1H6     A   9          1H6         A   9  34.472  41.355-113.633
   98   2H6     A   9          2H6         A   9  33.165  40.778-112.624
   99    H2     A   9           H2         A   9  37.357  37.940-114.117
  100   1H5*    A  10          1H5*        A  10  40.606  33.157-108.379
  101   2H5*    A  10          2H5*        A  10  39.070  32.620-109.127
  102    H4*    A  10           H4*        A  10  40.585  32.587-110.920
  103    H3*    A  10           H3*        A  10  41.787  34.984-109.590
  104   1H2*    A  10          1H2*        A  10  42.289  36.046-111.560
  105   2HO*    A  10          2HO*        A  10  43.286  34.134-112.478
  106    H1*    A  10           H1*        A  10  40.153  35.277-113.092
  107    H8     A  10           H8         A  10  38.754  36.351-109.814
  108   1H6     A  10          1H6         A  10  39.736  42.197-111.476
  109   2H6     A  10          2H6         A  10  38.919  41.149-110.338
  110    H2     A  10           H2         A  10  41.943  39.528-114.341
  111   1H5*    C  11          1H5*        C  11  46.537  34.286-111.406
  112   2H5*    C  11          2H5*        C  11  44.973  33.888-112.177
  113    H4*    C  11           H4*        C  11  46.049  35.575-113.516
  114    H3*    C  11           H3*        C  11  46.561  36.849-110.855
  115   1H2*    C  11          1H2*        C  11  46.147  38.976-111.595
  116   2HO*    C  11          2HO*        C  11  46.493  38.005-114.250
  117    H1*    C  11           H1*        C  11  44.220  38.460-113.489
  118   1H4     C  11          1H4         C  11  41.592  39.533-107.499
  119   2H4     C  11          2H4         C  11  41.252  40.953-108.460
  120    H5     C  11           H5         C  11  42.888  37.671-108.306
  121    H6     C  11           H6         C  11  44.170  36.785-110.195
  122   1H5*    U  12          1H5*        U  12  50.472  39.398-113.508
  123   2H5*    U  12          2H5*        U  12  48.942  38.843-114.249
  124    H4*    U  12           H4*        U  12  49.365  41.189-114.802
  125    H3*    U  12           H3*        U  12  49.703  41.397-111.836
  126   1H2*    U  12          1H2*        U  12  48.575  43.388-111.677
  127   2HO*    U  12          2HO*        U  12  48.288  44.761-113.493
  128    H1*    U  12           H1*        U  12  46.775  43.052-113.796
  129    H3     U  12           H3         U  12  43.653  43.245-110.611
  130    H5     U  12           H5         U  12  46.346  40.387-109.077
  131    H6     U  12           H6         U  12  47.730  40.735-111.042
  132   1H5*    C  13          1H5*        C  13  52.892  45.516-112.187
  133   2H5*    C  13          2H5*        C  13  51.753  44.731-113.274
  134    H4*    C  13           H4*        C  13  50.628  46.655-112.542
  135    H3*    C  13           H3*        C  13  51.945  46.138-109.898
  136   1H2*    C  13          1H2*        C  13  50.059  46.716-108.660
  137   2HO*    C  13          2HO*        C  13  49.704  48.411-110.739
  138    H1*    C  13           H1*        C  13  48.077  45.791-110.252
  139   1H4     C  13          1H4         C  13  48.533  40.767-106.510
  140   2H4     C  13          2H4         C  13  49.592  40.041-107.697
  141    H5     C  13           H5         C  13  50.630  41.290-109.470
  142    H6     C  13           H6         C  13  50.678  43.434-110.642
  143   1H5*    U  14          1H5*        U  14  53.224  49.434-107.444
  144   2H5*    U  14          2H5*        U  14  52.193  50.858-107.440
  145    H4*    U  14           H4*        U  14  51.138  50.130-105.583
  146    H3*    U  14           H3*        U  14  53.173  47.874-105.832
  147   1H2*    U  14          1H2*        U  14  52.139  46.867-103.954
  148   2HO*    U  14          2HO*        U  14  50.281  48.110-103.007
  149    H1*    U  14           H1*        U  14  49.587  47.373-104.753
  150    H3     U  14           H3         U  14  50.201  42.926-104.495
  151    H5     U  14           H5         U  14  52.071  43.976-108.113
  152    H6     U  14           H6         U  14  51.838  46.293-107.493
  153   1H5*    C  15          1H5*        C  15  54.127  50.470-101.124
  154   2H5*    C  15          2H5*        C  15  53.145  50.242-102.571
  155    H4*    C  15           H4*        C  15  52.043  49.269-100.621
  156    H3*    C  15           H3*        C  15  54.690  47.884-100.339
  157   1H2*    C  15          1H2*        C  15  53.707  45.909 -99.683
  158   2HO*    C  15          2HO*        C  15  51.495  47.540 -98.997
  159    H1*    C  15           H1*        C  15  51.398  46.058-101.150
  160   1H4     C  15          1H4         C  15  54.769  41.654-104.158
  161   2H4     C  15          2H4         C  15  55.494  42.909-105.140
  162    H5     C  15           H5         C  15  55.330  45.259-104.602
  163    H6     C  15           H6         C  15  54.184  46.915-103.226
  164   1H5*    C  16          1H5*        C  16  54.372  47.775 -95.119
  165   2H5*    C  16          2H5*        C  16  53.148  47.828 -96.379
  166    H4*    C  16           H4*        C  16  52.945  45.765 -95.132
  167    H3*    C  16           H3*        C  16  55.854  45.402 -95.869
  168   1H2*    C  16          1H2*        C  16  55.499  43.063 -95.814
  169   2HO*    C  16          2HO*        C  16  52.852  43.595 -94.887
  170    H1*    C  16           H1*        C  16  53.149  43.130 -97.162
  171   1H4     C  16          1H4         C  16  57.649  43.793-101.901
  172   2H4     C  16          2H4         C  16  57.441  42.069-101.702
  173    H5     C  16           H5         C  16  56.646  45.416-100.455
  174    H6     C  16           H6         C  16  55.250  45.751 -98.458
  175   1H5*    C  17          1H5*        C  17  57.394  42.457 -92.225
  176   2H5*    C  17          2H5*        C  17  55.780  42.953 -92.720
  177    H4*    C  17           H4*        C  17  55.975  40.843 -93.679
  178    H3*    C  17           H3*        C  17  58.844  41.613 -94.132
  179   1H2*    C  17          1H2*        C  17  58.996  40.271 -96.001
  180   2HO*    C  17          2HO*        C  17  57.347  38.632 -96.389
  181    H1*    C  17           H1*        C  17  56.318  40.492 -96.819
  182   1H4     C  17          1H4         C  17  59.351  44.950-100.487
  183   2H4     C  17          2H4         C  17  59.501  43.447-101.379
  184    H5     C  17           H5         C  17  58.628  45.057 -98.174
  185    H6     C  17           H6         C  17  57.686  43.774 -96.309
  186   1H5*    C  18          1H5*        C  18  61.402  37.626 -93.129
  187   2H5*    C  18          2H5*        C  18  59.722  37.909 -93.572
  188    H4*    C  18           H4*        C  18  60.796  37.445 -95.606
  189    H3*    C  18           H3*        C  18  63.031  39.135 -94.507
  190   1H2*    C  18          1H2*        C  18  63.591  39.908 -96.617
  191   2HO*    C  18          2HO*        C  18  62.961  38.750 -98.505
  192    H1*    C  18           H1*        C  18  61.035  39.686 -97.788
  193   1H4     C  18          1H4         C  18  62.150  45.847 -97.978
  194   2H4     C  18          2H4         C  18  61.355  46.021 -96.427
  195    H5     C  18           H5         C  18  60.833  44.145 -94.996
  196    H6     C  18           H6         C  18  60.778  41.691 -94.840
  197   1H5*    C  19          1H5*        C  19  66.038  35.464 -97.428
  198   2H5*    C  19          2H5*        C  19  64.300  35.723 -97.463
  199    H4*    C  19           H4*        C  19  64.826  35.899 -99.705
  200    H3*    C  19           H3*        C  19  67.436  37.039 -98.743
  201   1H2*    C  19          1H2*        C  19  67.700  38.306-100.661
  202   2HO*    C  19          2HO*        C  19  66.340  37.943-102.516
  203    H1*    C  19           H1*        C  19  65.103  39.016-101.043
  204   1H4     C  19          1H4         C  19  67.469  44.188 -98.310
  205   2H4     C  19          2H4         C  19  67.084  43.517 -96.738
  206    H5     C  19           H5         C  19  66.447  41.208 -96.401
  207    H6     C  19           H6         C  19  65.854  39.106 -97.514
  208   1H5*    C  20          1H5*        C  20  69.437  34.397-103.860
  209   2H5*    C  20          2H5*        C  20  67.796  34.913-104.088
  210    H4*    C  20           H4*        C  20  68.857  36.825-104.621
  211    H3*    C  20           H3*        C  20  70.985  36.182-102.594
  212   1H2*    C  20          1H2*        C  20  71.695  38.387-102.858
  213   2HO*    C  20          2HO*        C  20  70.026  38.506-105.175
  214    H1*    C  20           H1*        C  20  69.141  39.376-103.343
  215   1H4     C  20          1H4         C  20  70.877  42.037 -97.923
  216   2H4     C  20          2H4         C  20  70.427  40.585 -97.053
  217    H5     C  20           H5         C  20  69.877  38.514 -98.163
  218    H6     C  20           H6         C  20  69.432  37.448-100.322
  219   1H5*    C  21          1H5*        C  21  74.221  36.329-106.366
  220   2H5*    C  21          2H5*        C  21  73.033  37.352-105.506
  221    H4*    C  21           H4*        C  21  75.178  38.513-105.755
  222    H3*    C  21           H3*        C  21  76.193  35.977-104.540
  223   1H2*    C  21          1H2*        C  21  77.674  37.035-103.151
  224   2HO*    C  21          2HO*        C  21  78.635  38.229-104.881
  225    H1*    C  21           H1*        C  21  76.298  39.474-102.830
  226   1H4     C  21          1H4         C  21  76.613  36.037 -97.404
  227   2H4     C  21          2H4         C  21  74.870  35.928 -97.510
  228    H5     C  21           H5         C  21  73.626  36.645 -99.429
  229    H6     C  21           H6         C  21  73.737  37.680-101.653
  230   1H5*    U  22          1H5*        U  22  80.232  36.124-108.026
  231   2H5*    U  22          2H5*        U  22  80.541  37.736-107.312
  232    H4*    U  22           H4*        U  22  82.231  36.752-105.820
  233    H3*    U  22           H3*        U  22  82.464  37.103-108.607
  234   1H2*    U  22          1H2*        U  22  82.665  34.946-109.274
  235   2HO*    U  22          2HO*        U  22  84.813  34.197-109.136
  236    H1*    U  22           H1*        U  22  83.801  33.905-106.728
  237    H3     U  22           H3         U  22  83.206  30.560-109.988
  238    H5     U  22           H5         U  22  79.621  30.971-107.811
  239    H6     U  22           H6         U  22  80.514  33.007-106.846
  240   1H5*    U  23          1H5*        U  23  85.942  35.385-108.601
  241   2H5*    U  23          2H5*        U  23  87.087  36.220-109.694
  242    H4*    U  23           H4*        U  23  88.162  34.371-108.420
  243    H3*    U  23           H3*        U  23  87.025  35.929-106.153
  244   1H2*    U  23          1H2*        U  23  88.889  35.895-104.878
  245   2HO*    U  23          2HO*        U  23  89.766  33.637-106.370
  246    H1*    U  23           H1*        U  23  90.839  35.679-106.841
  247    H3     U  23           H3         U  23  92.208  39.466-104.865
  248    H5     U  23           H5         U  23  88.330  40.433-106.206
  249    H6     U  23           H6         U  23  88.085  38.132-106.944
  250   1H5*    U  24          1H5*        U  24  86.316  30.731-104.575
  251   2H5*    U  24          2H5*        U  24  87.610  31.652-105.393
  252    H4*    U  24           H4*        U  24  88.397  30.100-103.574
  253    H3*    U  24           H3*        U  24  86.664  31.954-101.983
  254   1H2*    U  24          1H2*        U  24  88.137  32.026-100.231
  255   2HO*    U  24          2HO*        U  24  89.397  29.713-101.326
  256    H1*    U  24           H1*        U  24  90.490  31.833-101.677
  257    H3     U  24           H3         U  24  90.298  35.649 -99.129
  258    H5     U  24           H5         U  24  88.179  36.533-102.661
  259    H6     U  24           H6         U  24  88.391  34.188-103.299
  260   1H5*    U  25          1H5*        U  25  84.188  28.930 -98.844
  261   2H5*    U  25          2H5*        U  25  85.854  28.765 -99.382
  262    H4*    U  25           H4*        U  25  85.858  29.393 -97.063
  263    H3*    U  25           H3*        U  25  84.010  31.594 -97.978
  264   1H2*    U  25          1H2*        U  25  84.851  32.976 -96.286
  265   2HO*    U  25          2HO*        U  25  85.897  30.564 -95.212
  266    H1*    U  25           H1*        U  25  87.444  32.222 -96.507
  267    H3     U  25           H3         U  25  87.160  36.603 -97.642
  268    H5     U  25           H5         U  25  86.307  34.469-101.174
  269    H6     U  25           H6         U  25  86.180  32.444 -99.847
  270   1H5*    C  26          1H5*        C  26  80.714  31.457 -94.006
  271   2H5*    C  26          2H5*        C  26  82.381  30.918 -94.159
  272    H4*    C  26           H4*        C  26  82.487  32.811 -92.768
  273    H3*    C  26           H3*        C  26  80.466  33.951 -94.674
  274   1H2*    C  26          1H2*        C  26  81.269  36.098 -94.369
  275   2HO*    C  26          2HO*        C  26  82.642  36.567 -92.514
  276    H1*    C  26           H1*        C  26  83.923  35.441 -93.796
  277   1H4     C  26          1H4         C  26  84.511  38.463 -99.265
  278   2H4     C  26          2H4         C  26  84.298  36.946-100.111
  279    H5     C  26           H5         C  26  83.512  34.932 -99.034
  280    H6     C  26           H6         C  26  82.948  33.895 -96.889
  281   1H5*    C  27          1H5*        C  27  77.552  36.863 -92.186
  282   2H5*    C  27          2H5*        C  27  77.747  36.936 -90.420
  283    H4*    C  27           H4*        C  27  79.335  38.634 -90.555
  284    H3*    C  27           H3*        C  27  77.303  38.902 -92.757
  285   1H2*    C  27          1H2*        C  27  78.384  40.684 -93.712
  286   2HO*    C  27          2HO*        C  27  79.182  41.136 -91.083
  287    H1*    C  27           H1*        C  27  81.007  40.017 -92.947
  288   1H4     C  27          1H4         C  27  81.081  39.349 -99.197
  289   2H4     C  27          2H4         C  27  80.699  37.653 -98.991
  290    H5     C  27           H5         C  27  79.896  36.727 -96.910
  291    H6     C  27           H6         C  27  79.588  37.162 -94.514
  292   1H5*    G  28          1H5*        G  28  75.253  43.497 -90.749
  293   2H5*    G  28          2H5*        G  28  76.803  42.789 -90.314
  294    H4*    G  28           H4*        G  28  77.383  44.875 -91.208
  295    H3*    G  28           H3*        G  28  75.116  44.350 -93.101
  296   1H2*    G  28          1H2*        G  28  76.140  45.397 -94.875
  297   2HO*    G  28          2HO*        G  28  77.809  46.620 -92.912
  298    H1*    G  28           H1*        G  28  78.756  44.738 -94.351
  299    H8     G  28           H8         G  28  76.511  41.720 -94.032
  300    H1     G  28           H1         G  28  78.295  42.947-100.024
  301   1H2     G  28          1H2         G  28  79.225  46.066 -98.793
  302   2H2     G  28          2H2         G  28  79.108  45.000-100.176
  303   1H5*    A  29          1H5*        A  29  74.620  49.512 -93.733
  304   2H5*    A  29          2H5*        A  29  75.886  48.445 -93.144
  305    H4*    A  29           H4*        A  29  76.735  49.329 -95.156
  306    H3*    A  29           H3*        A  29  73.952  48.854 -96.215
  307   1H2*    A  29          1H2*        A  29  74.796  48.570 -98.365
  308   2HO*    A  29          2HO*        A  29  77.011  49.151 -98.834
  309    H1*    A  29           H1*        A  29  77.160  47.316 -97.632
  310    H8     A  29           H8         A  29  74.305  45.573 -95.944
  311   1H6     A  29          1H6         A  29  73.826  42.224-101.108
  312   2H6     A  29          2H6         A  29  73.426  42.294 -99.404
  313    H2     A  29           H2         A  29  76.307  45.861-102.008
  314   1H5*    G  30          1H5*        G  30  72.697  52.319 -99.329
  315   2H5*    G  30          2H5*        G  30  74.364  51.857 -99.016
  316    H4*    G  30           H4*        G  30  73.891  50.968-101.142
  317    H3*    G  30           H3*        G  30  71.221  50.302 -99.939
  318   1H2*    G  30          1H2*        G  30  70.994  48.394-101.212
  319   2HO*    G  30          2HO*        G  30  72.451  48.014-103.024
  320    H1*    G  30           H1*        G  30  73.605  47.576-101.259
  321    H8     G  30           H8         G  30  72.509  48.501 -97.740
  322    H1     G  30           H1         G  30  70.870  42.638 -99.588
  323   1H2     G  30          1H2         G  30  71.491  43.829-102.798
  324   2H2     G  30          2H2         G  30  70.982  42.489-101.797
  325   1H5*    G  31          1H5*        G  31  69.221  52.065-104.808
  326   2H5*    G  31          2H5*        G  31  70.801  51.615-104.171
  327    H4*    G  31           H4*        G  31  70.215  50.067-105.937
  328    H3*    G  31           H3*        G  31  67.620  50.009-104.456
  329   1H2*    G  31          1H2*        G  31  67.301  47.732-104.760
  330   2HO*    G  31          2HO*        G  31  69.288  48.003-106.790
  331    H1*    G  31           H1*        G  31  69.879  46.891-104.441
  332    H8     G  31           H8         G  31  69.046  49.607-101.948
  333    H1     G  31           H1         G  31  67.383  43.790 -99.962
  334   1H2     G  31          1H2         G  31  67.792  42.829-103.241
  335   2H2     G  31          2H2         G  31  67.361  42.382-101.611
  336   1H5*    G  32          1H5*        G  32  66.133  47.412-108.425
  337   2H5*    G  32          2H5*        G  32  67.488  47.975-107.450
  338    H4*    G  32           H4*        G  32  67.342  45.727-106.881
  339    H3*    G  32           H3*        G  32  64.365  46.112-107.058
  340   1H2*    G  32          1H2*        G  32  63.984  44.555-105.370
  341   2HO*    G  32          2HO*        G  32  66.348  43.469-106.400
  342    H1*    G  32           H1*        G  32  66.481  44.807-104.061
  343    H8     G  32           H8         G  32  64.633  48.046-103.863
  344    H1     G  32           H1         G  32  62.856  43.777 -99.489
  345   1H2     G  32          1H2         G  32  64.315  41.449-101.629
  346   2H2     G  32          2H2         G  32  63.455  41.742-100.134
  347   1H5*    U  33          1H5*        U  33  65.527  43.291-111.297
  348   2H5*    U  33          2H5*        U  33  64.363  42.088-110.668
  349    H4*    U  33           H4*        U  33  63.933  42.423-113.018
  350    H3*    U  33           H3*        U  33  64.760  45.066-112.549
  351   1H2*    U  33          1H2*        U  33  62.797  46.009-111.918
  352   2HO*    U  33          2HO*        U  33  63.064  46.742-114.109
  353    H1*    U  33           H1*        U  33  61.020  44.129-113.395
  354    H3     U  33           H3         U  33  58.732  47.390-110.833
  355    H5     U  33           H5         U  33  59.395  43.967-108.464
  356    H6     U  33           H6         U  33  60.914  43.158-110.174
  357   1H5*    C  34          1H5*        C  34  66.570  42.456-114.873
  358   2H5*    C  34          2H5*        C  34  67.330  43.452-116.151
  359    H4*    C  34           H4*        C  34  69.105  42.239-115.104
  360    H3*    C  34           H3*        C  34  67.641  42.931-112.583
  361   1H2*    C  34          1H2*        C  34  69.521  43.368-111.371
  362   2HO*    C  34          2HO*        C  34  71.035  42.017-113.381
  363    H1*    C  34           H1*        C  34  71.124  44.479-113.302
  364   1H4     C  34          1H4         C  34  66.991  48.315-109.787
  365   2H4     C  34          2H4         C  34  68.614  48.855-109.418
  366    H5     C  34           H5         C  34  66.517  46.578-111.429
  367    H6     C  34           H6         C  34  67.488  44.918-112.897
  368   1H5*    A  35          1H5*        A  35  70.962  38.875-111.796
  369   2H5*    A  35          2H5*        A  35  70.342  40.311-112.655
  370    H4*    A  35           H4*        A  35  72.268  41.158-111.772
  371    H3*    A  35           H3*        A  35  72.257  38.922-110.069
  372   1H2*    A  35          1H2*        A  35  71.400  39.829-108.191
  373   2HO*    A  35          2HO*        A  35  72.992  40.990-106.971
  374    H1*    A  35           H1*        A  35  72.170  42.642-108.749
  375    H8     A  35           H8         A  35  68.748  42.033-109.451
  376   1H6     A  35          1H6         A  35  66.660  42.933-105.241
  377   2H6     A  35          2H6         A  35  67.230  42.969-103.593
  378    H2     A  35           H2         A  35  71.673  42.142-103.744
  379   1H5*    U  36          1H5*        U  36  77.464  41.082-110.281
  380   2H5*    U  36          2H5*        U  36  75.803  41.464-110.695
  381    H4*    U  36           H4*        U  36  76.596  43.394-109.656
  382    H3*    U  36           H3*        U  36  77.925  41.525-107.706
  383   1H2*    U  36          1H2*        U  36  77.815  43.141-106.063
  384   2HO*    U  36          2HO*        U  36  77.759  44.900-108.257
  385    H1*    U  36           H1*        U  36  75.440  44.350-106.904
  386    H3     U  36           H3         U  36  75.089  43.201-102.535
  387    H5     U  36           H5         U  36  73.910  39.847-104.783
  388    H6     U  36           H6         U  36  74.851  40.887-106.744
  389   1H5*    C  37          1H5*        C  37  82.041  44.783-108.028
  390   2H5*    C  37          2H5*        C  37  80.347  44.639-108.487
  391    H4*    C  37           H4*        C  37  80.465  46.040-106.557
  392    H3*    C  37           H3*        C  37  82.156  43.825-105.390
  393   1H2*    C  37          1H2*        C  37  81.341  44.338-103.280
  394   2HO*    C  37          2HO*        C  37  80.830  46.884-104.421
  395    H1*    C  37           H1*        C  37  78.833  45.296-104.115
  396   1H4     C  37          1H4         C  37  77.783  40.275-100.465
  397   2H4     C  37          2H4         C  37  77.714  39.272-101.899
  398    H5     C  37           H5         C  37  78.421  40.039-104.081
  399    H6     C  37           H6         C  37  79.129  41.988-105.381
  400   1H5*    G  38          1H5*        G  38  85.661  47.734-103.564
  401   2H5*    G  38          2H5*        G  38  84.040  47.881-104.233
  402    H4*    G  38           H4*        G  38  83.925  48.840-102.066
  403    H3*    G  38           H3*        G  38  85.653  46.508-101.317
  404   1H2*    G  38          1H2*        G  38  84.670  46.214 -99.259
  405   2HO*    G  38          2HO*        G  38  83.210  47.884 -98.422
  406    H1*    G  38           H1*        G  38  82.084  46.833 -99.908
  407    H8     G  38           H8         G  38  83.611  44.601-102.545
  408    H1     G  38           H1         G  38  81.360  41.430 -97.497
  409   1H2     G  38          1H2         G  38  81.415  44.527 -95.908
  410   2H2     G  38          2H2         G  38  81.076  42.814 -95.791
  411   1H5*    G  39          1H5*        G  39  88.151  48.589 -97.454
  412   2H5*    G  39          2H5*        G  39  86.570  48.936 -98.138
  413    H4*    G  39           H4*        G  39  86.188  47.932 -96.019
  414    H3*    G  39           H3*        G  39  88.215  45.887 -96.921
  415   1H2*    G  39          1H2*        G  39  87.184  44.287 -95.585
  416   2HO*    G  39          2HO*        G  39  85.951  46.518 -94.325
  417    H1*    G  39           H1*        G  39  84.589  45.093 -96.059
  418    H8     G  39           H8         G  39  86.412  44.927 -99.328
  419    H1     G  39           H1         G  39  84.536  39.202 -97.237
  420   1H2     G  39          1H2         G  39  84.039  39.300 -95.081
  421   2H2     G  39          2H2         G  39  84.159  40.782 -94.157
  422   1H5*    A  40          1H5*        A  40  91.075  45.371 -92.588
  423   2H5*    A  40          2H5*        A  40  89.432  45.992 -92.652
  424    H4*    A  40           H4*        A  40  89.147  43.987 -91.518
  425    H3*    A  40           H3*        A  40  91.354  42.990 -93.292
  426   1H2*    A  40          1H2*        A  40  90.521  40.852 -93.307
  427   2HO*    A  40          2HO*        A  40  89.349  41.602 -90.847
  428    H1*    A  40           H1*        A  40  87.824  41.441 -92.933
  429    H8     A  40           H8         A  40  89.175  43.089 -96.034
  430   1H6     A  40          1H6         A  40  87.626  37.876 -98.935
  431   2H6     A  40          2H6         A  40  87.986  39.578 -99.137
  432    H2     A  40           H2         A  40  87.691  37.051 -94.510
  433   1H5*    A  41          1H5*        A  41  92.189  39.870 -88.938
  434   2H5*    A  41          2H5*        A  41  90.695  40.707 -89.450
  435    H4*    A  41           H4*        A  41  90.160  38.392 -89.026
  436    H3*    A  41           H3*        A  41  92.627  37.895 -90.648
  437   1H2*    A  41          1H2*        A  41  91.743  36.101 -91.777
  438   2HO*    A  41          2HO*        A  41  89.702  35.972 -89.787
  439    H1*    A  41           H1*        A  41  89.125  36.902 -91.957
  440    H8     A  41           H8         A  41  91.941  39.372 -92.772
  441   1H6     A  41          1H6         A  41  92.269  38.529 -97.524
  442   2H6     A  41          2H6         A  41  91.551  37.326 -98.571
  443    H2     A  41           H2         A  41  88.909  34.769 -95.992
  444   1H5*    C  42          1H5*        C  42  93.801  33.593 -88.403
  445   2H5*    C  42          2H5*        C  42  92.273  33.834 -89.301
  446    H4*    C  42           H4*        C  42  93.579  31.799 -89.992
  447    H3*    C  42           H3*        C  42  95.585  33.934 -90.581
  448   1H2*    C  42          1H2*        C  42  96.131  33.100 -92.620
  449   2HO*    C  42          2HO*        C  42  95.829  30.899 -93.161
  450    H1*    C  42           H1*        C  42  93.785  31.823 -93.277
  451   1H4     C  42          1H4         C  42  94.457  36.622 -97.360
  452   2H4     C  42          2H4         C  42  94.463  37.794 -96.062
  453    H5     C  42           H5         C  42  94.285  37.191 -93.740
  454    H6     C  42           H6         C  42  94.091  35.330 -92.156
  455   1H5*    C  43          1H5*        C  43  98.792  29.893 -90.780
  456   2H5*    C  43          2H5*        C  43  97.100  30.224 -91.255
  457    H4*    C  43           H4*        C  43  98.433  29.295 -93.125
  458    H3*    C  43           H3*        C  43 100.179  31.617 -92.414
  459   1H2*    C  43          1H2*        C  43 100.573  32.234 -94.577
  460   2HO*    C  43          2HO*        C  43  99.620  29.671 -95.398
  461    H1*    C  43           H1*        C  43  98.130  31.578 -95.704
  462   1H4     C  43          1H4         C  43  98.353  37.892 -94.844
  463   2H4     C  43          2H4         C  43  98.114  37.693 -93.122
  464    H5     C  43           H5         C  43  98.004  35.543 -92.044
  465    H6     C  43           H6         C  43  98.034  33.101 -92.400
  466   1H5*    A  44          1H5*        A  44 104.174  29.621 -94.360
  467   2H5*    A  44          2H5*        A  44 102.607  30.158 -95.038
  468    H4*    A  44           H4*        A  44 104.474  31.174 -96.253
  469    H3*    A  44           H3*        A  44 105.492  31.597 -93.549
  470   1H2*    A  44          1H2*        A  44 105.296  33.807 -93.429
  471   2HO*    A  44          2HO*        A  44 106.597  33.855 -95.970
  472    H1*    A  44           H1*        A  44 104.411  34.327 -96.198
  473    H8     A  44           H8         A  44 101.967  33.702 -93.387
  474   1H6     A  44          1H6         A  44 101.001  38.273 -92.154
  475   2H6     A  44          2H6         A  44 101.698  39.809 -92.619
  476    H2     A  44           H2         A  44 105.000  38.911 -95.534
  477    H3T    A  44           H3T        A  44 107.407  31.914 -94.790
   
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1  63.297  38.390-109.501
    2   2H5*    G   1          2H5*        G   1  63.546  39.980-108.728
    3    H4*    G   1           H4*        G   1  63.672  37.589-107.426
    4    H3*    G   1           H3*        G   1  60.829  38.525-107.399
    5   1H2*    G   1          1H2*        G   1  60.601  38.286-105.112
    6   2HO*    G   1          2HO*        G   1  61.683  36.818-103.957
    7    H1*    G   1           H1*        G   1  63.184  38.880-104.365
    8    H8     G   1           H8         G   1  62.450  41.730-106.487
    9    H1     G   1           H1         G   1  59.697  42.211-100.755
   10   1H2     G   1          1H2         G   1  60.196  38.771-100.560
   11   2H2     G   1          2H2         G   1  59.596  40.222 -99.789
   12    H5T    G   1           H5T        G   1  61.666  40.290-109.628
   13   1H5*    G   2          1H5*        G   2  57.699  35.386-106.253
   14   2H5*    G   2          2H5*        G   2  59.376  35.369-105.719
   15    H4*    G   2           H4*        G   2  58.358  36.373-103.915
   16    H3*    G   2           H3*        G   2  56.453  37.632-105.905
   17   1H2*    G   2          1H2*        G   2  56.192  39.463-104.496
   18   2HO*    G   2          2HO*        G   2  57.247  38.349-102.219
   19    H1*    G   2           H1*        G   2  58.621  39.185-103.099
   20    H8     G   2           H8         G   2  59.090  40.410-106.633
   21    H1     G   2           H1         G   2  56.661  44.661-102.534
   22   1H2     G   2          1H2         G   2  56.040  41.866-100.573
   23   2H2     G   2          2H2         G   2  55.914  43.601-100.746
   24   1H5*    G   3          1H5*        G   3  53.027  33.586-103.329
   25   2H5*    G   3          2H5*        G   3  54.612  33.626-102.596
   26    H4*    G   3           H4*        G   3  53.571  35.173-101.282
   27    H3*    G   3           H3*        G   3  51.821  35.857-103.630
   28   1H2*    G   3          1H2*        G   3  51.310  37.887-102.587
   29   2HO*    G   3          2HO*        G   3  52.222  36.684-100.170
   30    H1*    G   3           H1*        G   3  53.678  38.123-101.132
   31    H8     G   3           H8         G   3  54.114  38.181-104.867
   32    H1     G   3           H1         G   3  52.598  43.860-102.482
   33   1H2     G   3          1H2         G   3  51.726  42.127 -99.601
   34   2H2     G   3          2H2         G   3  51.844  43.674-100.422
   35   1H5*    A   4          1H5*        A   4  47.198  35.189-100.596
   36   2H5*    A   4          2H5*        A   4  48.728  35.029 -99.741
   37    H4*    A   4           H4*        A   4  47.702  36.638 -98.441
   38    H3*    A   4           H3*        A   4  46.272  37.347-100.975
   39   1H2*    A   4          1H2*        A   4  46.082  39.575-100.473
   40   2HO*    A   4          2HO*        A   4  46.528  38.753 -97.787
   41    H1*    A   4           H1*        A   4  48.443  39.961 -99.139
   42    H8     A   4           H8         A   4  49.043  37.976-102.254
   43   1H6     A   4          1H6         A   4  49.610  43.361-105.171
   44   2H6     A   4          2H6         A   4  49.936  41.645-105.254
   45    H2     A   4           H2         A   4  47.746  44.139-101.157
   46   1H5*    G   5          1H5*        G   5  41.689  38.778 -99.182
   47   2H5*    G   5          2H5*        G   5  43.169  38.765 -98.233
   48    H4*    G   5           H4*        G   5  42.818  41.038 -98.451
   49    H3*    G   5           H3*        G   5  41.527  40.269-101.030
   50   1H2*    G   5          1H2*        G   5  42.108  42.192-102.120
   51   2HO*    G   5          2HO*        G   5  42.789  44.082-100.841
   52    H1*    G   5           H1*        G   5  44.467  42.794-100.713
   53    H8     G   5           H8         G   5  44.643  39.349-102.160
   54    H1     G   5           H1         G   5  46.157  43.905-106.350
   55   1H2     G   5          1H2         G   5  45.455  45.882-105.644
   56   2H2     G   5          2H2         G   5  44.609  46.083-104.120
   57   1H5*    C   6          1H5*        C   6  37.038  41.895-100.813
   58   2H5*    C   6          2H5*        C   6  38.311  42.948-101.500
   59    H4*    C   6           H4*        C   6  36.608  42.634-103.171
   60    H3*    C   6           H3*        C   6  36.852  39.769-102.356
   61   1H2*    C   6          1H2*        C   6  36.667  38.962-104.484
   62   2HO*    C   6          2HO*        C   6  35.527  39.968-106.074
   63    H1*    C   6           H1*        C   6  37.759  41.130-105.893
   64   1H4     C   6          1H4         C   6  41.669  36.115-106.327
   65   2H4     C   6          2H4         C   6  42.215  36.366-104.685
   66    H5     C   6           H5         C   6  41.304  38.054-103.239
   67    H6     C   6           H6         C   6  39.677  39.885-103.046
   68   1H5*    U   7          1H5*        U   7  32.391  37.774-103.421
   69   2H5*    U   7          2H5*        U   7  33.127  39.177-104.254
   70    H4*    U   7           H4*        U   7  33.361  37.532-105.863
   71    H3*    U   7           H3*        U   7  33.542  35.678-103.528
   72   1H2*    U   7          1H2*        U   7  35.017  34.235-104.539
   73   2HO*    U   7          2HO*        U   7  33.531  34.927-106.729
   74    H1*    U   7           H1*        U   7  36.224  36.038-106.344
   75    H3     U   7           H3         U   7  39.897  34.420-104.408
   76    H5     U   7           H5         U   7  37.856  36.195-101.180
   77    H6     U   7           H6         U   7  36.006  36.655-102.675
   78   1H5*    C   8          1H5*        C   8  33.417  32.665-103.799
   79   2H5*    C   8          2H5*        C   8  31.961  31.763-103.275
   80    H4*    C   8           H4*        C   8  33.209  30.067-104.237
   81    H3*    C   8           H3*        C   8  34.273  32.242-105.991
   82   1H2*    C   8          1H2*        C   8  34.554  30.904-107.806
   83   2HO*    C   8          2HO*        C   8  35.514  29.241-106.140
   84    H1*    C   8           H1*        C   8  32.479  29.098-107.376
   85   1H4     C   8          1H4         C   8  30.777  32.710-112.289
   86   2H4     C   8          2H4         C   8  30.453  34.051-111.215
   87    H5     C   8           H5         C   8  30.879  33.957-108.842
   88    H6     C   8           H6         C   8  31.731  32.628-107.008
   89   1H5*    A   9          1H5*        A   9  38.016  30.030-107.556
   90   2H5*    A   9          2H5*        A   9  36.331  29.700-108.052
   91    H4*    A   9           H4*        A   9  37.998  30.198-109.918
   92    H3*    A   9           H3*        A   9  37.899  32.844-108.514
   93   1H2*    A   9          1H2*        A   9  37.810  34.011-110.472
   94   2HO*    A   9          2HO*        A   9  39.688  32.777-111.293
   95    H1*    A   9           H1*        A   9  36.488  32.106-112.047
   96    H8     A   9           H8         A   9  34.077  32.626-109.486
   97   1H6     A   9          1H6         A   9  33.225  38.474-111.194
   98   2H6     A   9          2H6         A   9  32.588  37.150-110.242
   99    H2     A   9           H2         A   9  36.985  36.976-113.154
  100   1H5*    A  10          1H5*        A  10  42.952  33.471-110.558
  101   2H5*    A  10          2H5*        A  10  41.624  32.380-111.049
  102    H4*    A  10           H4*        A  10  42.037  33.492-113.031
  103    H3*    A  10           H3*        A  10  42.850  35.763-111.267
  104   1H2*    A  10          1H2*        A  10  42.188  37.369-112.766
  105   2HO*    A  10          2HO*        A  10  41.648  36.551-115.028
  106    H1*    A  10           H1*        A  10  40.026  36.071-113.913
  107    H8     A  10           H8         A  10  39.615  35.898-110.223
  108   1H6     A  10          1H6         A  10  37.889  41.811-110.282
  109   2H6     A  10          2H6         A  10  37.922  40.344-109.333
  110    H2     A  10           H2         A  10  39.719  40.837-114.259
  111   1H5*    C  11          1H5*        C  11  46.473  37.640-114.255
  112   2H5*    C  11          2H5*        C  11  44.990  36.723-114.657
  113    H4*    C  11           H4*        C  11  44.676  38.939-115.482
  114    H3*    C  11           H3*        C  11  45.862  39.716-112.851
  115   1H2*    C  11          1H2*        C  11  44.474  41.517-112.571
  116   2HO*    C  11          2HO*        C  11  44.170  42.828-114.164
  117    H1*    C  11           H1*        C  11  42.272  40.631-114.013
  118   1H4     C  11          1H4         C  11  41.578  39.556-107.511
  119   2H4     C  11          2H4         C  11  40.513  40.883-107.919
  120    H5     C  11           H5         C  11  43.050  38.501-109.110
  121    H6     C  11           H6         C  11  43.842  38.530-111.429
  122   1H5*    U  12          1H5*        U  12  47.556  43.790-115.574
  123   2H5*    U  12          2H5*        U  12  45.892  43.161-115.429
  124    H4*    U  12           H4*        U  12  46.342  45.737-115.269
  125    H3*    U  12           H3*        U  12  47.313  44.678-112.644
  126   1H2*    U  12          1H2*        U  12  46.194  46.264-111.418
  127   2HO*    U  12          2HO*        U  12  46.533  47.790-113.732
  128    H1*    U  12           H1*        U  12  44.027  46.711-113.151
  129    H3     U  12           H3         U  12  41.597  45.403-109.640
  130    H5     U  12           H5         U  12  44.565  42.418-109.856
  131    H6     U  12           H6         U  12  45.488  43.571-111.783
  132   1H5*    C  13          1H5*        C  13  49.898  49.282-112.156
  133   2H5*    C  13          2H5*        C  13  48.570  48.593-113.082
  134    H4*    C  13           H4*        C  13  47.631  50.173-111.540
  135    H3*    C  13           H3*        C  13  49.512  48.842-109.634
  136   1H2*    C  13          1H2*        C  13  48.049  48.950-107.851
  137   2HO*    C  13          2HO*        C  13  46.168  50.272-107.915
  138    H1*    C  13           H1*        C  13  45.746  48.409-109.116
  139   1H4     C  13          1H4         C  13  47.237  42.585-107.256
  140   2H4     C  13          2H4         C  13  48.183  42.376-108.711
  141    H5     C  13           H5         C  13  48.794  44.202-110.155
  142    H6     C  13           H6         C  13  48.461  46.580-110.623
  143   1H5*    U  14          1H5*        U  14  50.584  52.419-106.256
  144   2H5*    U  14          2H5*        U  14  49.031  52.495-107.078
  145    H4*    U  14           H4*        U  14  48.344  52.038-104.931
  146    H3*    U  14           H3*        U  14  50.952  50.567-104.679
  147   1H2*    U  14          1H2*        U  14  50.091  49.129-103.090
  148   2HO*    U  14          2HO*        U  14  47.952  50.994-102.797
  149    H1*    U  14           H1*        U  14  47.513  48.934-104.068
  150    H3     U  14           H3         U  14  49.212  44.736-104.105
  151    H5     U  14           H5         U  14  50.782  46.565-107.560
  152    H6     U  14           H6         U  14  49.977  48.686-106.724
  153   1H5*    C  15          1H5*        C  15  51.958  52.455 -99.872
  154   2H5*    C  15          2H5*        C  15  50.502  52.409-100.860
  155    H4*    C  15           H4*        C  15  50.146  50.811 -99.169
  156    H3*    C  15           H3*        C  15  53.035  50.153 -99.637
  157   1H2*    C  15          1H2*        C  15  52.705  47.919 -99.135
  158   2HO*    C  15          2HO*        C  15  50.484  48.901 -97.719
  159    H1*    C  15           H1*        C  15  50.171  47.628-100.126
  160   1H4     C  15          1H4         C  15  53.584  44.742-104.580
  161   2H4     C  15          2H4         C  15  53.772  46.275-105.396
  162    H5     C  15           H5         C  15  53.242  48.382-104.373
  163    H6     C  15           H6         C  15  52.175  49.469-102.463
  164   1H5*    C  16          1H5*        C  16  53.834  49.002 -94.657
  165   2H5*    C  16          2H5*        C  16  52.443  49.307 -95.692
  166    H4*    C  16           H4*        C  16  52.637  46.952 -95.538
  167    H3*    C  16           H3*        C  16  55.563  47.492 -95.938
  168   1H2*    C  16          1H2*        C  16  55.839  45.560 -97.147
  169   2HO*    C  16          2HO*        C  16  54.196  43.865 -97.038
  170    H1*    C  16           H1*        C  16  53.308  45.352 -98.201
  171   1H4     C  16          1H4         C  16  56.902  47.900-103.034
  172   2H4     C  16          2H4         C  16  57.092  46.163-103.206
  173    H5     C  16           H5         C  16  55.887  48.952-101.102
  174    H6     C  16           H6         C  16  54.706  48.559 -98.979
  175   1H5*    C  17          1H5*        C  17  57.388  43.783 -92.457
  176   2H5*    C  17          2H5*        C  17  55.705  43.879 -92.951
  177    H4*    C  17           H4*        C  17  56.287  41.821 -93.810
  178    H3*    C  17           H3*        C  17  59.019  43.026 -94.087
  179   1H2*    C  17          1H2*        C  17  59.553  41.735 -95.912
  180   2HO*    C  17          2HO*        C  17  58.350  39.796 -96.394
  181    H1*    C  17           H1*        C  17  56.991  41.432 -96.984
  182   1H4     C  17          1H4         C  17  59.369  46.538-100.269
  183   2H4     C  17          2H4         C  17  59.874  45.132-101.181
  184    H5     C  17           H5         C  17  58.430  46.405 -98.050
  185    H6     C  17           H6         C  17  57.669  44.886 -96.279
  186   1H5*    C  18          1H5*        C  18  61.604  38.644 -93.519
  187   2H5*    C  18          2H5*        C  18  59.886  38.917 -93.773
  188    H4*    C  18           H4*        C  18  60.543  38.227 -95.871
  189    H3*    C  18           H3*        C  18  63.154  39.578 -95.230
  190   1H2*    C  18          1H2*        C  18  63.570  40.023 -97.456
  191   2HO*    C  18          2HO*        C  18  61.862  37.822 -97.867
  192    H1*    C  18           H1*        C  18  60.937  40.358 -98.299
  193   1H4     C  18          1H4         C  18  63.241  46.216 -98.517
  194   2H4     C  18          2H4         C  18  62.725  46.457 -96.862
  195    H5     C  18           H5         C  18  62.015  44.658 -95.426
  196    H6     C  18           H6         C  18  61.513  42.264 -95.304
  197   1H5*    C  19          1H5*        C  19  65.144  35.221 -97.761
  198   2H5*    C  19          2H5*        C  19  63.653  36.083 -97.389
  199    H4*    C  19           H4*        C  19  64.225  36.618 -99.642
  200    H3*    C  19           H3*        C  19  66.967  36.976 -98.489
  201   1H2*    C  19          1H2*        C  19  67.451  38.763 -99.851
  202   2HO*    C  19          2HO*        C  19  66.019  39.122-101.764
  203    H1*    C  19           H1*        C  19  64.856  39.704-100.239
  204   1H4     C  19          1H4         C  19  67.561  44.429 -97.105
  205   2H4     C  19          2H4         C  19  67.150  43.649 -95.590
  206    H5     C  19           H5         C  19  66.367  41.364 -95.447
  207    H6     C  19           H6         C  19  65.618  39.414 -96.730
  208   1H5*    C  20          1H5*        C  20  69.522  35.165-102.941
  209   2H5*    C  20          2H5*        C  20  67.802  35.526-102.979
  210    H4*    C  20           H4*        C  20  68.593  36.977-104.596
  211    H3*    C  20           H3*        C  20  71.065  36.973-102.923
  212   1H2*    C  20          1H2*        C  20  71.656  39.096-103.405
  213   2HO*    C  20          2HO*        C  20  70.598  40.200-105.262
  214    H1*    C  20           H1*        C  20  69.161  40.215-103.768
  215   1H4     C  20          1H4         C  20  70.983  42.604 -98.257
  216   2H4     C  20          2H4         C  20  70.324  41.194 -97.450
  217    H5     C  20           H5         C  20  69.645  39.208 -98.648
  218    H6     C  20           H6         C  20  69.261  38.211-100.868
  219   1H5*    C  21          1H5*        C  21  74.116  37.050-105.683
  220   2H5*    C  21          2H5*        C  21  73.149  38.066-104.577
  221    H4*    C  21           H4*        C  21  75.853  38.050-104.645
  222    H3*    C  21           H3*        C  21  74.978  35.854-102.802
  223   1H2*    C  21          1H2*        C  21  76.418  36.540-101.120
  224   2HO*    C  21          2HO*        C  21  78.334  36.522-102.095
  225    H1*    C  21           H1*        C  21  76.608  39.264-101.900
  226   1H4     C  21          1H4         C  21  74.494  39.055 -95.944
  227   2H4     C  21          2H4         C  21  73.043  39.803 -96.574
  228    H5     C  21           H5         C  21  72.612  40.054 -98.918
  229    H6     C  21           H6         C  21  73.377  39.526-101.199
  230   1H5*    U  22          1H5*        U  22  79.530  35.382-105.028
  231   2H5*    U  22          2H5*        U  22  80.013  36.836-104.102
  232    H4*    U  22           H4*        U  22  81.763  35.677-103.000
  233    H3*    U  22           H3*        U  22  81.679  35.801-105.809
  234   1H2*    U  22          1H2*        U  22  81.468  33.604-106.317
  235   2HO*    U  22          2HO*        U  22  84.053  33.159-105.281
  236    H1*    U  22           H1*        U  22  82.756  32.539-103.857
  237    H3     U  22           H3         U  22  81.157  29.186-106.771
  238    H5     U  22           H5         U  22  78.071  30.271-104.114
  239    H6     U  22           H6         U  22  79.404  32.178-103.442
  240   1H5*    U  23          1H5*        U  23  85.020  33.869-106.789
  241   2H5*    U  23          2H5*        U  23  85.803  35.064-107.864
  242    H4*    U  23           H4*        U  23  87.290  33.184-107.605
  243    H3*    U  23           H3*        U  23  86.587  33.490-104.720
  244   1H2*    U  23          1H2*        U  23  88.691  33.054-103.961
  245   2HO*    U  23          2HO*        U  23  90.173  31.850-105.065
  246    H1*    U  23           H1*        U  23  90.167  34.098-106.010
  247    H3     U  23           H3         U  23  91.312  36.309-102.205
  248    H5     U  23           H5         U  23  87.901  38.285-103.695
  249    H6     U  23           H6         U  23  87.608  36.453-105.261
  250   1H5*    U  24          1H5*        U  24  87.472  29.243-103.485
  251   2H5*    U  24          2H5*        U  24  88.313  30.736-103.993
  252    H4*    U  24           H4*        U  24  88.736  29.456-101.633
  253    H3*    U  24           H3*        U  24  86.546  31.465-101.226
  254   1H2*    U  24          1H2*        U  24  87.503  32.204 -99.277
  255   2HO*    U  24          2HO*        U  24  89.045  29.820 -99.184
  256    H1*    U  24           H1*        U  24  90.159  31.653 -99.930
  257    H3     U  24           H3         U  24  90.446  35.917 -98.678
  258    H5     U  24           H5         U  24  87.694  36.066-101.864
  259    H6     U  24           H6         U  24  87.858  33.659-102.032
  260   1H5*    U  25          1H5*        U  25  83.676  29.198 -97.425
  261   2H5*    U  25          2H5*        U  25  85.288  28.573 -97.727
  262    H4*    U  25           H4*        U  25  85.501  29.309 -95.554
  263    H3*    U  25           H3*        U  25  83.574  31.475 -96.353
  264   1H2*    U  25          1H2*        U  25  84.346  32.816 -94.612
  265   2HO*    U  25          2HO*        U  25  85.674  31.957 -92.947
  266    H1*    U  25           H1*        U  25  86.973  32.077 -94.768
  267    H3     U  25           H3         U  25  86.752  36.566 -95.495
  268    H5     U  25           H5         U  25  86.097  34.772 -99.242
  269    H6     U  25           H6         U  25  85.850  32.635 -98.106
  270   1H5*    C  26          1H5*        C  26  79.938  31.903 -93.010
  271   2H5*    C  26          2H5*        C  26  81.437  31.089 -92.583
  272    H4*    C  26           H4*        C  26  81.661  33.098 -91.466
  273    H3*    C  26           H3*        C  26  80.107  34.225 -93.769
  274   1H2*    C  26          1H2*        C  26  81.107  36.288 -93.583
  275   2HO*    C  26          2HO*        C  26  81.677  35.468 -90.941
  276    H1*    C  26           H1*        C  26  83.598  35.512 -92.804
  277   1H4     C  26          1H4         C  26  84.458  37.054 -98.858
  278   2H4     C  26          2H4         C  26  84.035  35.416 -99.320
  279    H5     C  26           H5         C  26  83.032  33.826 -97.803
  280    H6     C  26           H6         C  26  82.402  33.399 -95.479
  281   1H5*    C  27          1H5*        C  27  77.460  37.433 -90.526
  282   2H5*    C  27          2H5*        C  27  78.888  36.414 -90.400
  283    H4*    C  27           H4*        C  27  79.733  38.597 -90.520
  284    H3*    C  27           H3*        C  27  77.588  39.024 -92.581
  285   1H2*    C  27          1H2*        C  27  78.867  40.570 -93.714
  286   2HO*    C  27          2HO*        C  27  80.053  40.933 -91.183
  287    H1*    C  27           H1*        C  27  81.393  39.513 -93.054
  288   1H4     C  27          1H4         C  27  80.911  38.686 -99.272
  289   2H4     C  27          2H4         C  27  80.241  37.096 -98.984
  290    H5     C  27           H5         C  27  79.471  36.365 -96.818
  291    H6     C  27           H6         C  27  79.372  36.921 -94.436
  292   1H5*    G  28          1H5*        G  28  76.210  43.922 -91.443
  293   2H5*    G  28          2H5*        G  28  77.711  43.196 -90.891
  294    H4*    G  28           H4*        G  28  78.514  44.787 -92.352
  295    H3*    G  28           H3*        G  28  75.953  44.315 -93.843
  296   1H2*    G  28          1H2*        G  28  76.885  44.890 -95.866
  297   2HO*    G  28          2HO*        G  28  79.021  46.013 -95.837
  298    H1*    G  28           H1*        G  28  79.514  44.074 -95.342
  299    H8     G  28           H8         G  28  77.107  41.240 -94.817
  300    H1     G  28           H1         G  28  78.675  42.138-100.931
  301   1H2     G  28          1H2         G  28  79.787  45.264 -99.866
  302   2H2     G  28          2H2         G  28  79.565  44.153-101.198
  303   1H5*    A  29          1H5*        A  29  75.330  49.684 -94.677
  304   2H5*    A  29          2H5*        A  29  76.772  48.929 -94.016
  305    H4*    A  29           H4*        A  29  77.628  49.906 -95.923
  306    H3*    A  29           H3*        A  29  74.875  49.447 -96.993
  307   1H2*    A  29          1H2*        A  29  75.573  49.207 -99.165
  308   2HO*    A  29          2HO*        A  29  77.726  50.792 -98.293
  309    H1*    A  29           H1*        A  29  78.072  48.069 -98.687
  310    H8     A  29           H8         A  29  75.412  46.175 -96.838
  311   1H6     A  29          1H6         A  29  74.838  42.779-101.940
  312   2H6     A  29          2H6         A  29  74.534  42.842-100.219
  313    H2     A  29           H2         A  29  77.066  46.535-103.004
  314   1H5*    G  30          1H5*        G  30  73.711  52.890-100.012
  315   2H5*    G  30          2H5*        G  30  75.347  52.348 -99.676
  316    H4*    G  30           H4*        G  30  74.860  51.429-101.775
  317    H3*    G  30           H3*        G  30  72.137  50.997-100.602
  318   1H2*    G  30          1H2*        G  30  71.755  49.133-101.915
  319   2HO*    G  30          2HO*        G  30  73.910  50.116-103.496
  320    H1*    G  30           H1*        G  30  74.298  48.087-101.892
  321    H8     G  30           H8         G  30  73.231  49.111 -98.398
  322    H1     G  30           H1         G  30  71.159  43.370-100.231
  323   1H2     G  30          1H2         G  30  72.004  44.470-103.425
  324   2H2     G  30          2H2         G  30  71.355  43.188-102.430
  325   1H5*    G  31          1H5*        G  31  69.939  51.977-105.127
  326   2H5*    G  31          2H5*        G  31  71.514  51.582-104.444
  327    H4*    G  31           H4*        G  31  70.599  49.573-105.337
  328    H3*    G  31           H3*        G  31  68.128  50.408-103.849
  329   1H2*    G  31          1H2*        G  31  67.569  48.186-103.451
  330   2HO*    G  31          2HO*        G  31  68.780  46.515-104.720
  331    H1*    G  31           H1*        G  31  70.194  47.173-103.408
  332    H8     G  31           H8         G  31  69.740  49.835-100.813
  333    H1     G  31           H1         G  31  67.454  44.126 -99.096
  334   1H2     G  31          1H2         G  31  67.662  43.397-102.494
  335   2H2     G  31          2H2         G  31  67.226  42.848-100.893
  336   1H5*    G  32          1H5*        G  32  65.949  48.592-108.709
  337   2H5*    G  32          2H5*        G  32  67.501  48.698-107.886
  338    H4*    G  32           H4*        G  32  67.155  46.393-108.229
  339    H3*    G  32           H3*        G  32  64.325  47.065-107.557
  340   1H2*    G  32          1H2*        G  32  63.929  45.118-106.415
  341   2HO*    G  32          2HO*        G  32  66.001  44.116-108.051
  342    H1*    G  32           H1*        G  32  66.487  44.643-105.425
  343    H8     G  32           H8         G  32  65.395  48.140-104.694
  344    H1     G  32           H1         G  32  63.417  43.959-100.326
  345   1H2     G  32          1H2         G  32  64.063  41.554-102.757
  346   2H2     G  32          2H2         G  32  63.477  41.907-101.145
  347   1H5*    U  33          1H5*        U  33  62.350  43.153-109.093
  348   2H5*    U  33          2H5*        U  33  61.287  44.377-109.864
  349    H4*    U  33           H4*        U  33  61.402  41.767-110.636
  350    H3*    U  33           H3*        U  33  63.854  42.784-111.536
  351   1H2*    U  33          1H2*        U  33  63.179  44.108-113.230
  352   2HO*    U  33          2HO*        U  33  63.073  41.472-114.174
  353    H1*    U  33           H1*        U  33  60.681  42.653-113.911
  354    H3     U  33           H3         U  33  60.954  46.470-116.535
  355    H5     U  33           H5         U  33  59.686  47.704-112.709
  356    H6     U  33           H6         U  33  60.195  45.475-111.895
  357   1H5*    C  34          1H5*        C  34  65.287  40.369-115.180
  358   2H5*    C  34          2H5*        C  34  65.474  41.577-113.875
  359    H4*    C  34           H4*        C  34  67.374  39.295-114.540
  360    H3*    C  34           H3*        C  34  67.098  41.105-112.191
  361   1H2*    C  34          1H2*        C  34  69.291  41.743-112.129
  362   2HO*    C  34          2HO*        C  34  70.741  40.249-113.613
  363    H1*    C  34           H1*        C  34  69.926  41.460-114.860
  364   1H4     C  34          1H4         C  34  68.325  47.594-112.909
  365   2H4     C  34          2H4         C  34  69.870  47.701-113.724
  366    H5     C  34           H5         C  34  67.138  45.513-112.609
  367    H6     C  34           H6         C  34  67.131  43.123-113.075
  368   1H5*    A  35          1H5*        A  35  70.637  37.569-110.800
  369   2H5*    A  35          2H5*        A  35  69.758  38.608-111.961
  370    H4*    A  35           H4*        A  35  71.767  39.724-111.842
  371    H3*    A  35           H3*        A  35  72.244  38.218-109.520
  372   1H2*    A  35          1H2*        A  35  71.576  39.628-107.926
  373   2HO*    A  35          2HO*        A  35  73.527  41.529-108.426
  374    H1*    A  35           H1*        A  35  71.939  42.179-109.389
  375    H8     A  35           H8         A  35  68.581  41.208-109.496
  376   1H6     A  35          1H6         A  35  66.774  42.652-105.268
  377   2H6     A  35          2H6         A  35  67.521  43.130-103.761
  378    H2     A  35           H2         A  35  71.951  42.747-104.294
  379   1H5*    U  36          1H5*        U  36  77.403  40.228-110.811
  380   2H5*    U  36          2H5*        U  36  75.741  40.579-111.257
  381    H4*    U  36           H4*        U  36  76.533  42.652-110.608
  382    H3*    U  36           H3*        U  36  78.101  41.144-108.533
  383   1H2*    U  36          1H2*        U  36  78.078  42.960-107.115
  384   2HO*    U  36          2HO*        U  36  77.673  45.079-107.851
  385    H1*    U  36           H1*        U  36  75.629  44.014-107.866
  386    H3     U  36           H3         U  36  75.824  43.380-103.355
  387    H5     U  36           H5         U  36  74.460  39.764-105.018
  388    H6     U  36           H6         U  36  75.044  40.608-107.209
  389   1H5*    C  37          1H5*        C  37  82.494  43.911-109.161
  390   2H5*    C  37          2H5*        C  37  80.842  44.153-109.716
  391    H4*    C  37           H4*        C  37  81.042  45.639-107.931
  392    H3*    C  37           H3*        C  37  82.624  43.446-106.599
  393   1H2*    C  37          1H2*        C  37  81.951  44.156-104.518
  394   2HO*    C  37          2HO*        C  37  81.651  46.637-105.814
  395    H1*    C  37           H1*        C  37  79.452  45.183-105.259
  396   1H4     C  37          1H4         C  37  78.441  40.299-101.407
  397   2H4     C  37          2H4         C  37  78.271  39.262-102.807
  398    H5     C  37           H5         C  37  78.889  39.937-105.028
  399    H6     C  37           H6         C  37  79.584  41.816-106.422
  400   1H5*    G  38          1H5*        G  38  86.401  46.453-104.367
  401   2H5*    G  38          2H5*        G  38  84.897  47.149-104.952
  402    H4*    G  38           H4*        G  38  84.706  47.612-102.708
  403    H3*    G  38           H3*        G  38  86.381  45.150-102.350
  404   1H2*    G  38          1H2*        G  38  85.475  44.648-100.301
  405   2HO*    G  38          2HO*        G  38  84.878  47.416-100.215
  406    H1*    G  38           H1*        G  38  82.919  45.711-100.685
  407    H8     G  38           H8         G  38  83.868  43.252-103.392
  408    H1     G  38           H1         G  38  81.627  40.494 -98.100
  409   1H2     G  38          1H2         G  38  82.294  43.564 -96.589
  410   2H2     G  38          2H2         G  38  81.713  41.924 -96.406
  411   1H5*    G  39          1H5*        G  39  88.837  47.241 -98.212
  412   2H5*    G  39          2H5*        G  39  87.464  47.696 -99.216
  413    H4*    G  39           H4*        G  39  86.393  46.758 -97.391
  414    H3*    G  39           H3*        G  39  88.857  45.087 -97.175
  415   1H2*    G  39          1H2*        G  39  87.690  43.162 -96.577
  416   2HO*    G  39          2HO*        G  39  86.278  45.053 -95.163
  417    H1*    G  39           H1*        G  39  85.104  43.946 -97.338
  418    H8     G  39           H8         G  39  87.101  43.203-100.407
  419    H1     G  39           H1         G  39  84.638  38.110 -97.468
  420   1H2     G  39          1H2         G  39  84.127  38.626 -95.380
  421   2H2     G  39          2H2         G  39  84.384  40.226 -94.723
  422   1H5*    A  40          1H5*        A  40  90.510  45.252 -92.718
  423   2H5*    A  40          2H5*        A  40  89.778  46.306 -91.512
  424    H4*    A  40           H4*        A  40  89.106  44.493 -90.342
  425    H3*    A  40           H3*        A  40  90.431  43.032 -92.650
  426   1H2*    A  40          1H2*        A  40  89.588  40.990 -91.835
  427   2HO*    A  40          2HO*        A  40  88.921  42.542 -89.555
  428    H1*    A  40           H1*        A  40  87.083  41.830 -91.639
  429    H8     A  40           H8         A  40  88.714  43.688 -94.433
  430   1H6     A  40          1H6         A  40  87.579  38.678 -97.887
  431   2H6     A  40          2H6         A  40  87.910  40.399 -97.933
  432    H2     A  40           H2         A  40  87.137  37.541 -93.574
  433   1H5*    A  41          1H5*        A  41  92.323  39.873 -88.997
  434   2H5*    A  41          2H5*        A  41  90.702  40.632 -88.983
  435    H4*    A  41           H4*        A  41  90.254  38.323 -88.764
  436    H3*    A  41           H3*        A  41  92.579  38.056 -90.610
  437   1H2*    A  41          1H2*        A  41  91.710  36.331 -91.827
  438   2HO*    A  41          2HO*        A  41  90.748  35.609 -89.402
  439    H1*    A  41           H1*        A  41  89.007  36.861 -91.567
  440    H8     A  41           H8         A  41  91.123  39.771 -92.747
  441   1H6     A  41          1H6         A  41  91.014  38.981 -97.491
  442   2H6     A  41          2H6         A  41  90.456  37.645 -98.470
  443    H2     A  41           H2         A  41  88.859  34.540 -95.635
  444   1H5*    C  42          1H5*        C  42  93.296  33.805 -89.072
  445   2H5*    C  42          2H5*        C  42  92.274  34.567 -90.328
  446    H4*    C  42           H4*        C  42  93.709  32.302 -90.732
  447    H3*    C  42           H3*        C  42  95.536  34.620 -91.158
  448   1H2*    C  42          1H2*        C  42  96.165  34.009 -93.239
  449   2HO*    C  42          2HO*        C  42  95.686  31.690 -93.890
  450    H1*    C  42           H1*        C  42  93.973  32.605 -94.070
  451   1H4     C  42          1H4         C  42  94.067  37.905 -97.543
  452   2H4     C  42          2H4         C  42  94.035  38.911 -96.111
  453    H5     C  42           H5         C  42  94.016  38.019 -93.875
  454    H6     C  42           H6         C  42  94.007  35.981 -92.525
  455   1H5*    C  43          1H5*        C  43  98.295  30.464 -91.355
  456   2H5*    C  43          2H5*        C  43  97.000  31.439 -92.113
  457    H4*    C  43           H4*        C  43  98.747  30.156 -93.615
  458    H3*    C  43           H3*        C  43 100.256  32.463 -92.474
  459   1H2*    C  43          1H2*        C  43 101.091  33.191 -94.457
  460   2HO*    C  43          2HO*        C  43 100.488  30.623 -95.548
  461    H1*    C  43           H1*        C  43  98.998  32.470 -96.147
  462   1H4     C  43          1H4         C  43  98.848  38.784 -95.318
  463   2H4     C  43          2H4         C  43  98.268  38.587 -93.680
  464    H5     C  43           H5         C  43  97.981  36.447 -92.628
  465    H6     C  43           H6         C  43  98.159  33.998 -92.931
  466   1H5*    A  44          1H5*        A  44 102.652  27.085 -91.763
  467   2H5*    A  44          2H5*        A  44 101.200  27.903 -92.413
  468    H4*    A  44           H4*        A  44 102.394  27.152 -94.314
  469    H3*    A  44           H3*        A  44 104.725  27.645 -92.626
  470   1H2*    A  44          1H2*        A  44 105.675  29.290 -93.759
  471   2HO*    A  44          2HO*        A  44 106.582  28.795 -95.669
  472    H1*    A  44           H1*        A  44 103.870  29.366 -96.089
  473    H8     A  44           H8         A  44 102.805  31.578 -93.348
  474   1H6     A  44          1H6         A  44 105.390  35.553 -94.310
  475   2H6     A  44          2H6         A  44 106.730  35.872 -95.387
  476    H2     A  44           H2         A  44 107.665  32.009 -97.487
  477    H3T    A  44           H3T        A  44 104.465  25.662 -93.544
   
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1  60.678  36.108-112.026
    2   2H5*    G   1          2H5*        G   1  61.214  37.775-111.661
    3    H4*    G   1           H4*        G   1  61.301  35.764-109.871
    4    H3*    G   1           H3*        G   1  58.486  36.669-109.936
    5   1H2*    G   1          1H2*        G   1  58.465  37.687-107.932
    6   2HO*    G   1          2HO*        G   1  60.075  35.607-106.836
    7    H1*    G   1           H1*        G   1  61.272  37.198-107.191
    8    H8     G   1           H8         G   1  60.651  40.213-109.165
    9    H1     G   1           H1         G   1  59.648  41.229-102.968
   10   1H2     G   1          1H2         G   1  59.640  37.766-102.747
   11   2H2     G   1          2H2         G   1  59.474  39.301-101.924
   12    H5T    G   1           H5T        G   1  59.040  38.270-111.166
   13   1H5*    G   2          1H5*        G   2  58.488  31.942-106.970
   14   2H5*    G   2          2H5*        G   2  60.140  32.023-106.369
   15    H4*    G   2           H4*        G   2  58.876  31.485-104.463
   16    H3*    G   2           H3*        G   2  56.854  33.338-105.668
   17   1H2*    G   2          1H2*        G   2  56.159  34.171-103.659
   18   2HO*    G   2          2HO*        G   2  56.690  33.042-101.656
   19    H1*    G   2           H1*        G   2  58.521  34.020-102.233
   20    H8     G   2           H8         G   2  59.106  35.739-105.495
   21    H1     G   2           H1         G   2  56.422  39.585-101.217
   22   1H2     G   2          1H2         G   2  55.737  36.731 -99.400
   23   2H2     G   2          2H2         G   2  55.631  38.482 -99.520
   24   1H5*    G   3          1H5*        G   3  52.658  30.792-103.790
   25   2H5*    G   3          2H5*        G   3  54.348  30.780-103.295
   26    H4*    G   3           H4*        G   3  53.239  31.977-101.580
   27    H3*    G   3           H3*        G   3  51.658  33.080-103.863
   28   1H2*    G   3          1H2*        G   3  51.524  35.194-103.019
   29   2HO*    G   3          2HO*        G   3  51.975  35.557-100.711
   30    H1*    G   3           H1*        G   3  53.861  35.273-101.546
   31    H8     G   3           H8         G   3  54.470  34.318-105.131
   32    H1     G   3           H1         G   3  54.049  40.602-104.150
   33   1H2     G   3          1H2         G   3  52.549  39.712-101.139
   34   2H2     G   3          2H2         G   3  53.069  40.999-102.203
   35   1H5*    A   4          1H5*        A   4  47.470  33.395-100.161
   36   2H5*    A   4          2H5*        A   4  49.167  33.082 -99.834
   37    H4*    A   4           H4*        A   4  48.690  34.918 -98.463
   38    H3*    A   4           H3*        A   4  46.901  35.763-100.716
   39   1H2*    A   4          1H2*        A   4  47.284  38.010-100.403
   40   2HO*    A   4          2HO*        A   4  48.119  37.228 -97.805
   41    H1*    A   4           H1*        A   4  49.915  37.941 -99.674
   42    H8     A   4           H8         A   4  49.307  35.653-102.575
   43   1H6     A   4          1H6         A   4  50.487  40.502-106.172
   44   2H6     A   4          2H6         A   4  50.386  38.757-106.108
   45    H2     A   4           H2         A   4  49.756  42.001-102.000
   46   1H5*    G   5          1H5*        G   5  43.862  38.572 -97.687
   47   2H5*    G   5          2H5*        G   5  45.516  38.005 -97.509
   48    H4*    G   5           H4*        G   5  45.766  40.312 -97.798
   49    H3*    G   5           H3*        G   5  43.480  40.012 -99.708
   50   1H2*    G   5          1H2*        G   5  44.216  41.694-101.085
   51   2HO*    G   5          2HO*        G   5  45.512  42.612 -98.744
   52    H1*    G   5           H1*        G   5  46.973  41.425-100.620
   53    H8     G   5           H8         G   5  45.512  38.164-101.736
   54    H1     G   5           H1         G   5  46.870  42.085-106.569
   55   1H2     G   5          1H2         G   5  47.122  44.165-105.845
   56   2H2     G   5          2H2         G   5  46.963  44.585-104.151
   57   1H5*    C   6          1H5*        C   6  40.459  43.531 -98.416
   58   2H5*    C   6          2H5*        C   6  41.942  43.789 -99.384
   59    H4*    C   6           H4*        C   6  39.909  44.606-100.541
   60    H3*    C   6           H3*        C   6  39.048  41.788-100.025
   61   1H2*    C   6          1H2*        C   6  38.164  41.482-102.112
   62   2HO*    C   6          2HO*        C   6  38.092  44.317-102.402
   63    H1*    C   6           H1*        C   6  39.828  43.197-103.571
   64   1H4     C   6          1H4         C   6  41.612  37.355-105.275
   65   2H4     C   6          2H4         C   6  42.000  36.929-103.624
   66    H5     C   6           H5         C   6  41.662  38.420-101.763
   67    H6     C   6           H6         C   6  40.931  40.661-101.088
   68   1H5*    U   7          1H5*        U   7  34.104  42.673-100.114
   69   2H5*    U   7          2H5*        U   7  35.534  43.268-101.009
   70    H4*    U   7           H4*        U   7  34.247  41.935-102.533
   71    H3*    U   7           H3*        U   7  34.061  40.084-100.192
   72   1H2*    U   7          1H2*        U   7  34.337  38.177-101.423
   73   2HO*    U   7          2HO*        U   7  33.843  38.110-103.658
   74    H1*    U   7           H1*        U   7  35.844  39.227-103.553
   75    H3     U   7           H3         U   7  38.489  35.873-102.203
   76    H5     U   7           H5         U   7  38.354  38.390 -98.827
   77    H6     U   7           H6         U   7  36.772  39.789-100.006
   78   1H5*    C   8          1H5*        C   8  32.129  37.513 -99.654
   79   2H5*    C   8          2H5*        C   8  30.371  37.472 -99.327
   80    H4*    C   8           H4*        C   8  31.098  35.328-100.216
   81    H3*    C   8           H3*        C   8  32.655  37.015-101.998
   82   1H2*    C   8          1H2*        C   8  31.608  36.649-103.930
   83   2HO*    C   8          2HO*        C   8  31.695  33.879-103.240
   84    H1*    C   8           H1*        C   8  29.593  34.725-103.128
   85   1H4     C   8          1H4         C   8  26.614  38.671-107.061
   86   2H4     C   8          2H4         C   8  27.462  40.046-106.390
   87    H5     C   8           H5         C   8  29.076  39.844-104.605
   88    H6     C   8           H6         C   8  30.251  38.324-103.121
   89   1H5*    A   9          1H5*        A   9  36.917  33.867-102.647
   90   2H5*    A   9          2H5*        A   9  35.417  32.893-102.700
   91    H4*    A   9           H4*        A   9  36.719  32.487-104.715
   92    H3*    A   9           H3*        A   9  36.842  35.477-104.769
   93   1H2*    A   9          1H2*        A   9  36.484  35.647-107.023
   94   2HO*    A   9          2HO*        A   9  38.129  34.110-107.568
   95    H1*    A   9           H1*        A   9  34.802  33.491-107.414
   96    H8     A   9           H8         A   9  33.076  34.979-104.687
   97   1H6     A   9          1H6         A   9  31.543  39.872-108.094
   98   2H6     A   9          2H6         A   9  31.219  38.998-106.615
   99    H2     A   9           H2         A   9  34.786  37.634-110.250
  100   1H5*    A  10          1H5*        A  10  41.297  35.119-107.651
  101   2H5*    A  10          2H5*        A  10  39.890  34.046-107.373
  102    H4*    A  10           H4*        A  10  39.589  34.599-109.604
  103    H3*    A  10           H3*        A  10  40.904  37.188-108.858
  104   1H2*    A  10          1H2*        A  10  39.684  38.453-110.306
  105   2HO*    A  10          2HO*        A  10  38.582  37.539-112.091
  106    H1*    A  10           H1*        A  10  37.290  37.088-110.226
  107    H8     A  10           H8         A  10  38.234  37.661-106.689
  108   1H6     A  10          1H6         A  10  36.936  43.636-107.453
  109   2H6     A  10          2H6         A  10  37.254  42.381-106.276
  110    H2     A  10           H2         A  10  37.127  41.682-111.504
  111   1H5*    C  11          1H5*        C  11  41.820  38.353-113.337
  112   2H5*    C  11          2H5*        C  11  40.621  37.508-112.319
  113    H4*    C  11           H4*        C  11  39.564  39.542-112.995
  114    H3*    C  11           H3*        C  11  42.277  40.677-112.605
  115   1H2*    C  11          1H2*        C  11  41.675  42.591-111.591
  116   2HO*    C  11          2HO*        C  11  39.548  43.440-111.760
  117    H1*    C  11           H1*        C  11  39.468  41.825-110.228
  118   1H4     C  11          1H4         C  11  44.595  40.108-106.450
  119   2H4     C  11          2H4         C  11  43.952  41.580-105.757
  120    H5     C  11           H5         C  11  43.774  39.141-108.499
  121    H6     C  11           H6         C  11  42.110  39.367-110.300
  122   1H5*    U  12          1H5*        U  12  44.858  42.227-114.714
  123   2H5*    U  12          2H5*        U  12  43.749  43.031-115.884
  124    H4*    U  12           H4*        U  12  44.954  44.906-115.341
  125    H3*    U  12           H3*        U  12  45.735  43.364-112.876
  126   1H2*    U  12          1H2*        U  12  45.932  45.241-111.560
  127   2HO*    U  12          2HO*        U  12  46.163  47.335-112.472
  128    H1*    U  12           H1*        U  12  43.922  46.791-112.682
  129    H3     U  12           H3         U  12  42.164  46.473-108.651
  130    H5     U  12           H5         U  12  43.429  42.523-109.387
  131    H6     U  12           H6         U  12  44.038  43.201-111.628
  132   1H5*    C  13          1H5*        C  13  49.835  46.441-113.522
  133   2H5*    C  13          2H5*        C  13  48.115  46.156-113.774
  134    H4*    C  13           H4*        C  13  48.436  47.961-112.167
  135    H3*    C  13           H3*        C  13  50.257  45.949-110.901
  136   1H2*    C  13          1H2*        C  13  49.592  46.495-108.743
  137   2HO*    C  13          2HO*        C  13  48.313  48.368-108.329
  138    H1*    C  13           H1*        C  13  46.967  46.782-109.139
  139   1H4     C  13          1H4         C  13  47.085  40.656-107.622
  140   2H4     C  13          2H4         C  13  47.353  40.262-109.305
  141    H5     C  13           H5         C  13  47.937  41.905-110.964
  142    H6     C  13           H6         C  13  48.231  44.295-111.398
  143   1H5*    U  14          1H5*        U  14  52.846  49.282-108.126
  144   2H5*    U  14          2H5*        U  14  51.221  49.392-108.787
  145    H4*    U  14           H4*        U  14  50.829  49.224-106.504
  146    H3*    U  14           H3*        U  14  53.179  47.341-106.488
  147   1H2*    U  14          1H2*        U  14  52.310  46.192-104.674
  148   2HO*    U  14          2HO*        U  14  50.554  47.100-103.433
  149    H1*    U  14           H1*        U  14  49.627  46.424-105.312
  150    H3     U  14           H3         U  14  50.540  41.995-105.105
  151    H5     U  14           H5         U  14  51.737  43.198-108.959
  152    H6     U  14           H6         U  14  51.536  45.496-108.230
  153   1H5*    C  15          1H5*        C  15  54.022  49.456-101.713
  154   2H5*    C  15          2H5*        C  15  52.830  49.369-103.005
  155    H4*    C  15           H4*        C  15  52.059  48.002-101.187
  156    H3*    C  15           H3*        C  15  54.862  46.921-101.283
  157   1H2*    C  15          1H2*        C  15  54.149  44.802-100.734
  158   2HO*    C  15          2HO*        C  15  51.837  46.105 -99.729
  159    H1*    C  15           H1*        C  15  51.695  44.853-101.968
  160   1H4     C  15          1H4         C  15  55.101  40.961-105.575
  161   2H4     C  15          2H4         C  15  55.667  42.334-106.502
  162    H5     C  15           H5         C  15  55.399  44.622-105.762
  163    H6     C  15           H6         C  15  54.252  46.088-104.186
  164   1H5*    C  16          1H5*        C  16  55.034  46.412 -96.034
  165   2H5*    C  16          2H5*        C  16  53.699  46.455 -97.175
  166    H4*    C  16           H4*        C  16  53.748  44.307 -96.060
  167    H3*    C  16           H3*        C  16  56.594  44.212 -97.072
  168   1H2*    C  16          1H2*        C  16  56.412  41.854 -97.155
  169   2HO*    C  16          2HO*        C  16  54.157  41.050 -96.498
  170    H1*    C  16           H1*        C  16  53.954  41.828 -98.292
  171   1H4     C  16          1H4         C  16  57.936  43.175-103.335
  172   2H4     C  16          2H4         C  16  57.873  41.430-103.255
  173    H5     C  16           H5         C  16  56.965  44.606-101.685
  174    H6     C  16           H6         C  16  55.736  44.690 -99.555
  175   1H5*    C  17          1H5*        C  17  58.666  41.156 -93.822
  176   2H5*    C  17          2H5*        C  17  56.985  41.571 -94.131
  177    H4*    C  17           H4*        C  17  57.221  39.566 -95.280
  178    H3*    C  17           H3*        C  17  59.992  40.555 -95.901
  179   1H2*    C  17          1H2*        C  17  60.050  39.377 -97.886
  180   2HO*    C  17          2HO*        C  17  58.496  37.658 -98.266
  181    H1*    C  17           H1*        C  17  57.300  39.474 -98.449
  182   1H4     C  17          1H4         C  17  59.688  44.383-102.009
  183   2H4     C  17          2H4         C  17  59.859  42.962-103.022
  184    H5     C  17           H5         C  17  59.172  44.273 -99.641
  185    H6     C  17           H6         C  17  58.488  42.795 -97.807
  186   1H5*    C  18          1H5*        C  18  62.457  36.318 -95.684
  187   2H5*    C  18          2H5*        C  18  60.778  36.817 -95.860
  188    H4*    C  18           H4*        C  18  61.581  36.461 -98.058
  189    H3*    C  18           H3*        C  18  64.021  37.931 -97.091
  190   1H2*    C  18          1H2*        C  18  64.366  38.893 -99.164
  191   2HO*    C  18          2HO*        C  18  62.952  36.625-100.080
  192    H1*    C  18           H1*        C  18  61.683  38.942-100.013
  193   1H4     C  18          1H4         C  18  63.179  45.021 -99.555
  194   2H4     C  18          2H4         C  18  62.618  45.019 -97.896
  195    H5     C  18           H5         C  18  62.153  42.993 -96.665
  196    H6     C  18           H6         C  18  61.935  40.550 -96.825
  197   1H5*    C  19          1H5*        C  19  66.618  34.504-100.452
  198   2H5*    C  19          2H5*        C  19  64.948  35.022-100.264
  199    H4*    C  19           H4*        C  19  65.495  35.605-102.475
  200    H3*    C  19           H3*        C  19  68.135  36.418-101.293
  201   1H2*    C  19          1H2*        C  19  68.410  38.115-102.815
  202   2HO*    C  19          2HO*        C  19  66.991  38.151-104.748
  203    H1*    C  19           H1*        C  19  65.739  38.729-103.225
  204   1H4     C  19          1H4         C  19  67.955  43.807-100.239
  205   2H4     C  19          2H4         C  19  67.625  43.041 -98.699
  206    H5     C  19           H5         C  19  67.052  40.699 -98.481
  207    H6     C  19           H6         C  19  66.514  38.642 -99.707
  208   1H5*    C  20          1H5*        C  20  71.142  34.489-105.253
  209   2H5*    C  20          2H5*        C  20  69.448  34.918-105.432
  210    H4*    C  20           H4*        C  20  70.609  36.277-106.987
  211    H3*    C  20           H3*        C  20  72.590  36.512-104.770
  212   1H2*    C  20          1H2*        C  20  73.126  38.673-105.200
  213   2HO*    C  20          2HO*        C  20  72.028  38.218-107.791
  214    H1*    C  20           H1*        C  20  70.711  39.579-106.119
  215   1H4     C  20          1H4         C  20  70.932  42.024-100.339
  216   2H4     C  20          2H4         C  20  70.287  40.530 -99.692
  217    H5     C  20           H5         C  20  70.136  38.497-100.988
  218    H6     C  20           H6         C  20  70.324  37.533-103.237
  219   1H5*    C  21          1H5*        C  21  76.257  36.775-107.697
  220   2H5*    C  21          2H5*        C  21  74.922  37.815-107.118
  221    H4*    C  21           H4*        C  21  77.119  38.935-106.972
  222    H3*    C  21           H3*        C  21  77.753  36.472-105.396
  223   1H2*    C  21          1H2*        C  21  78.904  37.613-103.771
  224   2HO*    C  21          2HO*        C  21  79.252  39.608-105.764
  225    H1*    C  21           H1*        C  21  77.567  40.091-103.970
  226   1H4     C  21          1H4         C  21  76.536  37.211 -98.321
  227   2H4     C  21          2H4         C  21  74.856  37.134 -98.806
  228    H5     C  21           H5         C  21  74.104  37.687-101.014
  229    H6     C  21           H6         C  21  74.761  38.452-103.250
  230   1H5*    U  22          1H5*        U  22  82.375  37.734-107.644
  231   2H5*    U  22          2H5*        U  22  82.763  38.872-106.317
  232    H4*    U  22           H4*        U  22  84.015  37.109-105.157
  233    H3*    U  22           H3*        U  22  84.785  38.378-107.556
  234   1H2*    U  22          1H2*        U  22  84.787  36.605-108.972
  235   2HO*    U  22          2HO*        U  22  86.748  35.397-108.842
  236    H1*    U  22           H1*        U  22  85.292  34.527-106.904
  237    H3     U  22           H3         U  22  84.698  31.790-110.438
  238    H5     U  22           H5         U  22  81.112  33.997-110.258
  239    H6     U  22           H6         U  22  82.109  35.347-108.507
  240   1H5*    U  23          1H5*        U  23  88.028  36.101-107.898
  241   2H5*    U  23          2H5*        U  23  89.290  37.225-108.482
  242    H4*    U  23           H4*        U  23  90.233  35.000-108.124
  243    H3*    U  23           H3*        U  23  88.900  35.307-105.462
  244   1H2*    U  23          1H2*        U  23  90.593  34.226-104.330
  245   2HO*    U  23          2HO*        U  23  92.175  32.991-105.418
  246    H1*    U  23           H1*        U  23  92.709  35.223-105.716
  247    H3     U  23           H3         U  23  92.363  36.549-101.267
  248    H5     U  23           H5         U  23  90.672  39.584-103.655
  249    H6     U  23           H6         U  23  90.775  38.056-105.542
  250   1H5*    U  24          1H5*        U  24  88.125  31.083-104.233
  251   2H5*    U  24          2H5*        U  24  89.530  32.151-104.521
  252    H4*    U  24           H4*        U  24  89.185  31.161-102.151
  253    H3*    U  24           H3*        U  24  86.994  33.212-102.336
  254   1H2*    U  24          1H2*        U  24  87.367  33.904-100.189
  255   2HO*    U  24          2HO*        U  24  88.452  32.606 -98.660
  256    H1*    U  24           H1*        U  24  90.118  33.390-100.097
  257    H3     U  24           H3         U  24  89.372  37.672 -98.797
  258    H5     U  24           H5         U  24  88.751  37.733-102.959
  259    H6     U  24           H6         U  24  89.053  35.327-102.983
  260   1H5*    U  25          1H5*        U  25  83.632  30.160 -99.301
  261   2H5*    U  25          2H5*        U  25  85.354  29.905 -99.538
  262    H4*    U  25           H4*        U  25  85.135  30.127 -97.224
  263    H3*    U  25           H3*        U  25  83.224  32.355 -97.844
  264   1H2*    U  25          1H2*        U  25  83.672  33.289 -95.752
  265   2HO*    U  25          2HO*        U  25  84.760  32.126 -94.130
  266    H1*    U  25           H1*        U  25  86.326  32.664 -95.730
  267    H3     U  25           H3         U  25  85.833  37.177 -95.411
  268    H5     U  25           H5         U  25  85.874  36.312 -99.527
  269    H6     U  25           H6         U  25  85.647  33.954 -98.972
  270   1H5*    C  26          1H5*        C  26  79.200  31.086 -93.978
  271   2H5*    C  26          2H5*        C  26  80.593  30.666 -93.035
  272    H4*    C  26           H4*        C  26  80.621  32.858 -92.638
  273    H3*    C  26           H3*        C  26  79.318  33.327 -95.318
  274   1H2*    C  26          1H2*        C  26  79.750  35.609 -94.897
  275   2HO*    C  26          2HO*        C  26  80.437  34.895 -92.221
  276    H1*    C  26           H1*        C  26  82.158  35.146 -93.538
  277   1H4     C  26          1H4         C  26  83.963  37.992 -98.866
  278   2H4     C  26          2H4         C  26  83.710  36.516 -99.778
  279    H5     C  26           H5         C  26  82.630  34.550 -98.848
  280    H6     C  26           H6         C  26  81.682  33.559 -96.811
  281   1H5*    C  27          1H5*        C  27  75.773  36.604 -93.608
  282   2H5*    C  27          2H5*        C  27  75.524  36.494 -91.849
  283    H4*    C  27           H4*        C  27  77.116  38.136 -91.411
  284    H3*    C  27           H3*        C  27  75.690  38.688 -93.998
  285   1H2*    C  27          1H2*        C  27  77.000  40.492 -94.505
  286   2HO*    C  27          2HO*        C  27  77.156  40.696 -91.734
  287    H1*    C  27           H1*        C  27  79.358  39.660 -93.227
  288   1H4     C  27          1H4         C  27  80.824  39.414 -99.336
  289   2H4     C  27          2H4         C  27  80.356  37.727 -99.350
  290    H5     C  27           H5         C  27  79.078  36.699 -97.577
  291    H6     C  27           H6         C  27  78.241  36.988 -95.288
  292   1H5*    G  28          1H5*        G  28  73.317  43.193 -92.309
  293   2H5*    G  28          2H5*        G  28  74.707  42.443 -91.538
  294    H4*    G  28           H4*        G  28  75.526  44.530 -92.205
  295    H3*    G  28           H3*        G  28  73.742  44.130 -94.582
  296   1H2*    G  28          1H2*        G  28  75.159  45.221 -96.031
  297   2HO*    G  28          2HO*        G  28  76.987  46.466 -95.115
  298    H1*    G  28           H1*        G  28  77.573  44.465 -94.962
  299    H8     G  28           H8         G  28  75.266  41.497 -95.276
  300    H1     G  28           H1         G  28  78.355  42.915-100.661
  301   1H2     G  28          1H2         G  28  79.011  45.971 -99.123
  302   2H2     G  28          2H2         G  28  79.198  44.963-100.540
  303   1H5*    A  29          1H5*        A  29  73.285  49.325 -95.060
  304   2H5*    A  29          2H5*        A  29  74.456  48.277 -94.272
  305    H4*    A  29           H4*        A  29  75.657  49.341 -95.999
  306    H3*    A  29           H3*        A  29  73.213  48.784 -97.675
  307   1H2*    A  29          1H2*        A  29  74.535  48.726 -99.592
  308   2HO*    A  29          2HO*        A  29  76.774  49.442 -99.471
  309    H1*    A  29           H1*        A  29  76.756  47.540 -98.419
  310    H8     A  29           H8         A  29  73.700  45.549 -97.544
  311   1H6     A  29          1H6         A  29  74.610  42.546-102.862
  312   2H6     A  29          2H6         A  29  73.823  42.485-101.298
  313    H2     A  29           H2         A  29  77.032  46.332-102.946
  314   1H5*    G  30          1H5*        G  30  72.560  52.448-100.756
  315   2H5*    G  30          2H5*        G  30  74.103  51.965-100.068
  316    H4*    G  30           H4*        G  30  74.152  51.265-102.333
  317    H3*    G  30           H3*        G  30  71.349  50.323-101.781
  318   1H2*    G  30          1H2*        G  30  71.569  48.572-103.292
  319   2HO*    G  30          2HO*        G  30  73.876  49.970-104.216
  320    H1*    G  30           H1*        G  30  74.138  47.873-102.699
  321    H8     G  30           H8         G  30  72.160  48.543 -99.520
  322    H1     G  30           H1         G  30  71.336  42.730-101.973
  323   1H2     G  30          1H2         G  30  72.720  44.106-104.854
  324   2H2     G  30          2H2         G  30  72.032  42.699-104.077
  325   1H5*    G  31          1H5*        G  31  69.336  52.013-106.458
  326   2H5*    G  31          2H5*        G  31  71.025  51.669-106.107
  327    H4*    G  31           H4*        G  31  70.412  50.129-107.799
  328    H3*    G  31           H3*        G  31  67.876  49.949-106.224
  329   1H2*    G  31          1H2*        G  31  67.574  47.687-106.682
  330   2HO*    G  31          2HO*        G  31  69.495  48.130-108.747
  331    H1*    G  31           H1*        G  31  70.176  46.879-106.499
  332    H8     G  31           H8         G  31  69.369  49.382-103.778
  333    H1     G  31           H1         G  31  67.831  43.390-102.237
  334   1H2     G  31          1H2         G  31  68.096  42.745-105.637
  335   2H2     G  31          2H2         G  31  67.750  42.130-104.038
  336   1H5*    G  32          1H5*        G  32  65.725  47.833-110.181
  337   2H5*    G  32          2H5*        G  32  67.304  48.115-109.464
  338    H4*    G  32           H4*        G  32  67.007  45.857-109.069
  339    H3*    G  32           H3*        G  32  64.098  46.526-108.687
  340   1H2*    G  32          1H2*        G  32  63.847  44.706-107.253
  341   2HO*    G  32          2HO*        G  32  65.982  43.692-108.779
  342    H1*    G  32           H1*        G  32  66.525  44.615-106.343
  343    H8     G  32           H8         G  32  64.990  47.880-105.392
  344    H1     G  32           H1         G  32  63.521  43.111-101.439
  345   1H2     G  32          1H2         G  32  64.482  41.046-104.074
  346   2H2     G  32          2H2         G  32  63.866  41.163-102.441
  347   1H5*    U  33          1H5*        U  33  64.300  44.080-113.430
  348   2H5*    U  33          2H5*        U  33  62.838  45.037-113.798
  349    H4*    U  33           H4*        U  33  64.395  45.127-115.665
  350    H3*    U  33           H3*        U  33  66.393  45.171-113.675
  351   1H2*    U  33          1H2*        U  33  66.533  47.414-113.307
  352   2HO*    U  33          2HO*        U  33  68.391  46.960-114.639
  353    H1*    U  33           H1*        U  33  65.562  48.243-115.999
  354    H3     U  33           H3         U  33  65.424  52.405-114.366
  355    H5     U  33           H5         U  33  63.603  50.142-111.311
  356    H6     U  33           H6         U  33  64.087  48.140-112.596
  357   1H5*    C  34          1H5*        C  34  69.126  42.087-117.090
  358   2H5*    C  34          2H5*        C  34  69.336  43.702-117.831
  359    H4*    C  34           H4*        C  34  71.489  42.431-117.474
  360    H3*    C  34           H3*        C  34  70.451  42.578-114.683
  361   1H2*    C  34          1H2*        C  34  72.431  43.207-113.738
  362   2HO*    C  34          2HO*        C  34  74.442  42.879-114.793
  363    H1*    C  34           H1*        C  34  73.470  44.758-115.777
  364   1H4     C  34          1H4         C  34  69.536  47.682-111.282
  365   2H4     C  34          2H4         C  34  71.095  48.463-111.147
  366    H5     C  34           H5         C  34  69.080  45.936-112.896
  367    H6     C  34           H6         C  34  69.980  44.549-114.648
  368   1H5*    A  35          1H5*        A  35  74.155  39.489-113.799
  369   2H5*    A  35          2H5*        A  35  73.503  40.886-114.696
  370    H4*    A  35           H4*        A  35  75.144  41.881-113.457
  371    H3*    A  35           H3*        A  35  75.040  39.576-111.841
  372   1H2*    A  35          1H2*        A  35  73.809  40.348-110.107
  373   2HO*    A  35          2HO*        A  35  76.131  41.974-109.732
  374    H1*    A  35           H1*        A  35  74.434  43.226-110.506
  375    H8     A  35           H8         A  35  71.221  42.452-111.703
  376   1H6     A  35          1H6         A  35  68.470  43.072-107.802
  377   2H6     A  35          2H6         A  35  68.823  43.090-106.091
  378    H2     A  35           H2         A  35  73.244  42.473-105.644
  379   1H5*    U  36          1H5*        U  36  80.123  41.956-110.975
  380   2H5*    U  36          2H5*        U  36  78.591  42.339-111.739
  381    H4*    U  36           H4*        U  36  79.090  44.242-110.487
  382    H3*    U  36           H3*        U  36  80.013  42.312-108.370
  383   1H2*    U  36          1H2*        U  36  79.505  43.835-106.718
  384   2HO*    U  36          2HO*        U  36  79.203  46.070-107.185
  385    H1*    U  36           H1*        U  36  77.324  45.035-107.983
  386    H3     U  36           H3         U  36  76.034  43.602-103.886
  387    H5     U  36           H5         U  36  75.609  40.323-106.493
  388    H6     U  36           H6         U  36  76.899  41.528-108.140
  389   1H5*    C  37          1H5*        C  37  84.050  45.570-107.504
  390   2H5*    C  37          2H5*        C  37  82.503  45.537-108.342
  391    H4*    C  37           H4*        C  37  82.216  46.861-106.386
  392    H3*    C  37           H3*        C  37  83.542  44.558-104.948
  393   1H2*    C  37          1H2*        C  37  82.315  45.066-103.052
  394   2HO*    C  37          2HO*        C  37  81.276  47.133-102.834
  395    H1*    C  37           H1*        C  37  80.061  46.086-104.377
  396   1H4     C  37          1H4         C  37  78.212  40.949-101.239
  397   2H4     C  37          2H4         C  37  78.476  39.998-102.681
  398    H5     C  37           H5         C  37  79.647  40.830-104.619
  399    H6     C  37           H6         C  37  80.637  42.810-105.657
  400   1H5*    G  38          1H5*        G  38  86.488  47.911-101.816
  401   2H5*    G  38          2H5*        G  38  85.125  48.392-102.818
  402    H4*    G  38           H4*        G  38  84.422  48.997-100.680
  403    H3*    G  38           H3*        G  38  85.942  46.559 -99.822
  404   1H2*    G  38          1H2*        G  38  84.521  46.092 -98.073
  405   2HO*    G  38          2HO*        G  38  82.919  47.726 -97.423
  406    H1*    G  38           H1*        G  38  82.148  46.879 -99.212
  407    H8     G  38           H8         G  38  84.186  44.774-101.604
  408    H1     G  38           H1         G  38  80.760  41.365 -97.453
  409   1H2     G  38          1H2         G  38  80.534  44.342 -95.664
  410   2H2     G  38          2H2         G  38  80.132  42.642 -95.756
  411   1H5*    G  39          1H5*        G  39  87.355  47.975 -95.317
  412   2H5*    G  39          2H5*        G  39  86.132  48.519 -96.459
  413    H4*    G  39           H4*        G  39  84.895  47.155 -95.059
  414    H3*    G  39           H3*        G  39  87.428  45.593 -94.781
  415   1H2*    G  39          1H2*        G  39  86.294  43.536 -94.704
  416   2HO*    G  39          2HO*        G  39  84.252  43.406 -93.777
  417    H1*    G  39           H1*        G  39  83.826  44.384 -95.771
  418    H8     G  39           H8         G  39  86.268  44.345 -98.559
  419    H1     G  39           H1         G  39  83.769  38.653 -97.130
  420   1H2     G  39          1H2         G  39  82.956  38.690 -95.067
  421   2H2     G  39          2H2         G  39  83.027  40.118 -94.059
  422   1H5*    A  40          1H5*        A  40  88.462  45.094 -90.221
  423   2H5*    A  40          2H5*        A  40  87.460  45.810 -88.960
  424    H4*    A  40           H4*        A  40  86.846  43.738 -88.304
  425    H3*    A  40           H3*        A  40  88.535  42.924 -90.695
  426   1H2*    A  40          1H2*        A  40  87.788  40.696 -90.424
  427   2HO*    A  40          2HO*        A  40  86.591  41.682 -88.030
  428    H1*    A  40           H1*        A  40  85.226  41.325 -90.387
  429    H8     A  40           H8         A  40  87.068  43.830 -92.494
  430   1H6     A  40          1H6         A  40  86.729  39.667 -97.057
  431   2H6     A  40          2H6         A  40  86.974  41.360 -96.680
  432    H2     A  40           H2         A  40  85.691  37.594 -93.210
  433   1H5*    A  41          1H5*        A  41  89.654  39.662 -86.821
  434   2H5*    A  41          2H5*        A  41  88.427  40.759 -87.527
  435    H4*    A  41           H4*        A  41  87.466  38.536 -87.331
  436    H3*    A  41           H3*        A  41  90.074  37.747 -88.557
  437   1H2*    A  41          1H2*        A  41  89.177  36.204 -89.989
  438   2HO*    A  41          2HO*        A  41  86.813  36.238 -88.394
  439    H1*    A  41           H1*        A  41  86.761  37.402 -90.517
  440    H8     A  41           H8         A  41  89.651  39.819 -90.808
  441   1H6     A  41          1H6         A  41  90.974  38.919 -95.362
  442   2H6     A  41          2H6         A  41  90.545  37.667 -96.505
  443    H2     A  41           H2         A  41  87.578  34.998 -94.445
  444   1H5*    C  42          1H5*        C  42  90.268  33.219 -86.925
  445   2H5*    C  42          2H5*        C  42  89.094  33.852 -88.116
  446    H4*    C  42           H4*        C  42  90.385  31.806 -88.850
  447    H3*    C  42           H3*        C  42  92.616  33.759 -88.476
  448   1H2*    C  42          1H2*        C  42  93.620  33.250 -90.448
  449   2HO*    C  42          2HO*        C  42  92.238  30.774 -90.430
  450    H1*    C  42           H1*        C  42  91.444  32.377 -91.894
  451   1H4     C  42          1H4         C  42  93.308  37.684 -94.791
  452   2H4     C  42          2H4         C  42  93.081  38.627 -93.335
  453    H5     C  42           H5         C  42  92.351  37.677 -91.251
  454    H6     C  42           H6         C  42  91.720  35.609 -90.090
  455   1H5*    C  43          1H5*        C  43  95.359  29.410 -88.718
  456   2H5*    C  43          2H5*        C  43  93.906  30.103 -89.498
  457    H4*    C  43           H4*        C  43  95.626  29.299 -91.126
  458    H3*    C  43           H3*        C  43  97.264  31.253 -89.568
  459   1H2*    C  43          1H2*        C  43  98.248  32.191 -91.399
  460   2HO*    C  43          2HO*        C  43  97.443  29.900 -92.900
  461    H1*    C  43           H1*        C  43  96.176  31.928 -93.234
  462   1H4     C  43          1H4         C  43  96.547  38.039 -91.479
  463   2H4     C  43          2H4         C  43  95.946  37.652 -89.882
  464    H5     C  43           H5         C  43  95.480  35.405 -89.154
  465    H6     C  43           H6         C  43  95.423  33.033 -89.836
  466   1H5*    A  44          1H5*        A  44 100.544  31.249 -87.170
  467   2H5*    A  44          2H5*        A  44 101.399  30.068 -88.211
  468    H4*    A  44           H4*        A  44 102.526  32.263 -88.224
  469    H3*    A  44           H3*        A  44  99.785  33.202 -88.563
  470   1H2*    A  44          1H2*        A  44  99.858  33.839 -90.678
  471   2HO*    A  44          2HO*        A  44 100.749  35.793 -89.825
  472    H1*    A  44           H1*        A  44 102.732  33.427 -91.194
  473    H8     A  44           H8         A  44  99.981  30.848 -91.736
  474   1H6     A  44          1H6         A  44  99.406  31.375 -96.506
  475   2H6     A  44          2H6         A  44 100.050  32.512 -97.669
  476    H2     A  44           H2         A  44 102.713  35.331 -95.396
  477    H3T    A  44           H3T        A  44 101.347  34.001 -87.054
   
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1  60.995  38.907-114.600
    2   2H5*    G   1          2H5*        G   1  61.470  40.513-113.977
    3    H4*    G   1           H4*        G   1  61.812  38.239-112.590
    4    H3*    G   1           H3*        G   1  58.945  38.906-112.321
    5   1H2*    G   1          1H2*        G   1  59.000  39.568-110.174
    6   2HO*    G   1          2HO*        G   1  60.807  37.452-109.559
    7    H1*    G   1           H1*        G   1  61.878  39.169-109.693
    8    H8     G   1           H8         G   1  60.930  42.430-111.051
    9    H1     G   1           H1         G   1  60.306  42.260-104.724
   10   1H2     G   1          1H2         G   1  60.536  38.824-105.129
   11   2H2     G   1          2H2         G   1  60.331  40.172-104.035
   12    H5T    G   1           H5T        G   1  59.314  40.761-113.246
   13   1H5*    G   2          1H5*        G   2  59.551  33.757-110.239
   14   2H5*    G   2          2H5*        G   2  61.231  33.885-109.732
   15    H4*    G   2           H4*        G   2  60.158  32.919-107.880
   16    H3*    G   2           H3*        G   2  57.911  34.757-108.616
   17   1H2*    G   2          1H2*        G   2  57.304  35.166-106.451
   18   2HO*    G   2          2HO*        G   2  58.668  32.744-105.845
   19    H1*    G   2           H1*        G   2  59.772  34.989-105.219
   20    H8     G   2           H8         G   2  59.953  37.283-108.162
   21    H1     G   2           H1         G   2  57.351  40.090-103.097
   22   1H2     G   2          1H2         G   2  57.055  36.918-101.765
   23   2H2     G   2          2H2         G   2  56.799  38.646-101.568
   24   1H5*    G   3          1H5*        G   3  54.205  31.469-106.813
   25   2H5*    G   3          2H5*        G   3  55.938  31.602-106.527
   26    H4*    G   3           H4*        G   3  54.936  32.353-104.514
   27    H3*    G   3           H3*        G   3  52.972  33.612-106.383
   28   1H2*    G   3          1H2*        G   3  52.735  35.528-105.170
   29   2HO*    G   3          2HO*        G   3  53.560  33.932-102.977
   30    H1*    G   3           H1*        G   3  55.222  35.630-103.951
   31    H8     G   3           H8         G   3  55.475  35.412-107.695
   32    H1     G   3           H1         G   3  54.535  41.318-105.497
   33   1H2     G   3          1H2         G   3  53.535  39.727-102.567
   34   2H2     G   3          2H2         G   3  53.778  41.238-103.415
   35   1H5*    A   4          1H5*        A   4  49.346  32.691-102.187
   36   2H5*    A   4          2H5*        A   4  51.097  32.544-102.191
   37    H4*    A   4           H4*        A   4  50.676  33.999-100.403
   38    H3*    A   4           H3*        A   4  48.481  35.046-102.157
   39   1H2*    A   4          1H2*        A   4  48.707  37.221-101.426
   40   2HO*    A   4          2HO*        A   4  49.979  37.698 -99.518
   41    H1*    A   4           H1*        A   4  51.417  37.327-101.121
   42    H8     A   4           H8         A   4  50.571  35.574-104.318
   43   1H6     A   4          1H6         A   4  50.682  41.127-106.965
   44   2H6     A   4          2H6         A   4  50.769  39.403-107.247
   45    H2     A   4           H2         A   4  50.472  41.704-102.513
   46   1H5*    G   5          1H5*        G   5  45.488  36.554 -98.254
   47   2H5*    G   5          2H5*        G   5  47.203  36.188 -98.394
   48    H4*    G   5           H4*        G   5  47.134  38.529 -98.224
   49    H3*    G   5           H3*        G   5  44.673  38.252 -99.900
   50   1H2*    G   5          1H2*        G   5  45.038  40.200-101.064
   51   2HO*    G   5          2HO*        G   5  46.454  41.840-100.216
   52    H1*    G   5           H1*        G   5  47.845  40.265-100.924
   53    H8     G   5           H8         G   5  46.735  37.026-102.421
   54    H1     G   5           H1         G   5  47.000  41.780-106.657
   55   1H2     G   5          1H2         G   5  46.994  43.745-105.630
   56   2H2     G   5          2H2         G   5  46.938  43.882-103.884
   57   1H5*    C   6          1H5*        C   6  42.097  41.500 -97.250
   58   2H5*    C   6          2H5*        C   6  43.292  41.862 -98.533
   59    H4*    C   6           H4*        C   6  41.215  43.144 -98.867
   60    H3*    C   6           H3*        C   6  40.016  40.418 -98.595
   61   1H2*    C   6          1H2*        C   6  38.557  40.659-100.334
   62   2HO*    C   6          2HO*        C   6  38.964  43.476-100.149
   63    H1*    C   6           H1*        C   6  40.052  42.302-101.993
   64   1H4     C   6          1H4         C   6  40.294  36.477-104.530
   65   2H4     C   6          2H4         C   6  41.377  35.936-103.268
   66    H5     C   6           H5         C   6  42.029  37.318-101.406
   67    H6     C   6           H6         C   6  41.777  39.516-100.348
   68   1H5*    U   7          1H5*        U   7  35.515  41.695 -96.848
   69   2H5*    U   7          2H5*        U   7  36.630  42.380 -98.069
   70    H4*    U   7           H4*        U   7  34.783  41.416 -99.257
   71    H3*    U   7           H3*        U   7  35.168  39.170 -97.320
   72   1H2*    U   7          1H2*        U   7  34.804  37.522 -98.864
   73   2HO*    U   7          2HO*        U   7  33.491  39.476-100.469
   74    H1*    U   7           H1*        U   7  35.675  38.869-101.176
   75    H3     U   7           H3         U   7  38.246  35.201-101.317
   76    H5     U   7           H5         U   7  39.519  37.123 -97.790
   77    H6     U   7           H6         U   7  37.753  38.750 -98.113
   78   1H5*    C   8          1H5*        C   8  32.337  36.709 -96.579
   79   2H5*    C   8          2H5*        C   8  30.620  36.895 -96.109
   80    H4*    C   8           H4*        C   8  30.828  35.181 -97.825
   81    H3*    C   8           H3*        C   8  32.750  37.022 -98.922
   82   1H2*    C   8          1H2*        C   8  31.623  37.898-100.624
   83   2HO*    C   8          2HO*        C   8  31.101  35.189-101.356
   84    H1*    C   8           H1*        C   8  29.219  36.242-100.605
   85   1H4     C   8          1H4         C   8  27.051  42.000-102.019
   86   2H4     C   8          2H4         C   8  28.102  42.736-100.829
   87    H5     C   8           H5         C   8  29.634  41.457 -99.470
   88    H6     C   8           H6         C   8  30.512  39.254 -98.963
   89   1H5*    A   9          1H5*        A   9  33.814  33.234-102.584
   90   2H5*    A   9          2H5*        A   9  32.076  33.545-102.299
   91    H4*    A   9           H4*        A   9  32.727  33.370-104.723
   92    H3*    A   9           H3*        A   9  34.406  35.708-103.895
   93   1H2*    A   9          1H2*        A   9  33.920  36.915-105.779
   94   2HO*    A   9          2HO*        A   9  34.456  35.198-107.233
   95    H1*    A   9           H1*        A   9  31.336  36.014-106.243
   96    H8     A   9           H8         A   9  30.911  37.138-102.901
   97   1H6     A   9          1H6         A   9  32.028  42.976-104.528
   98   2H6     A   9          2H6         A   9  31.380  41.936-103.280
   99    H2     A   9           H2         A   9  33.405  40.302-107.875
  100   1H5*    A  10          1H5*        A  10  38.215  33.787-107.462
  101   2H5*    A  10          2H5*        A  10  36.452  33.496-107.374
  102    H4*    A  10           H4*        A  10  36.734  34.376-109.525
  103    H3*    A  10           H3*        A  10  38.883  36.037-108.268
  104   1H2*    A  10          1H2*        A  10  38.457  37.879-109.567
  105   2HO*    A  10          2HO*        A  10  37.298  37.741-111.530
  106    H1*    A  10           H1*        A  10  35.732  37.679-109.818
  107    H8     A  10           H8         A  10  36.503  37.184-106.213
  108   1H6     A  10          1H6         A  10  37.460  43.248-105.744
  109   2H6     A  10          2H6         A  10  37.185  41.769-104.853
  110    H2     A  10           H2         A  10  37.318  42.178-110.104
  111   1H5*    C  11          1H5*        C  11  41.493  36.445-112.666
  112   2H5*    C  11          2H5*        C  11  39.741  36.342-112.321
  113    H4*    C  11           H4*        C  11  40.219  38.480-113.364
  114    H3*    C  11           H3*        C  11  42.413  38.549-111.329
  115   1H2*    C  11          1H2*        C  11  42.124  40.766-110.828
  116   2HO*    C  11          2HO*        C  11  42.193  41.449-113.030
  117    H1*    C  11           H1*        C  11  39.407  40.996-111.212
  118   1H4     C  11          1H4         C  11  40.874  39.352-104.959
  119   2H4     C  11          2H4         C  11  40.343  41.019-104.932
  120    H5     C  11           H5         C  11  41.093  38.070-106.984
  121    H6     C  11           H6         C  11  40.877  38.112-109.424
  122   1H5*    U  12          1H5*        U  12  44.704  42.076-114.703
  123   2H5*    U  12          2H5*        U  12  42.935  41.871-114.544
  124    H4*    U  12           H4*        U  12  43.529  44.232-114.369
  125    H3*    U  12           H3*        U  12  45.477  43.169-112.362
  126   1H2*    U  12          1H2*        U  12  45.143  44.882-110.875
  127   2HO*    U  12          2HO*        U  12  44.014  46.381-113.019
  128    H1*    U  12           H1*        U  12  42.462  45.459-111.453
  129    H3     U  12           H3         U  12  41.763  44.290-107.204
  130    H5     U  12           H5         U  12  44.018  41.049-108.679
  131    H6     U  12           H6         U  12  44.118  42.184-110.824
  132   1H5*    C  13          1H5*        C  13  48.538  47.333-113.042
  133   2H5*    C  13          2H5*        C  13  46.826  46.980-113.253
  134    H4*    C  13           H4*        C  13  47.035  48.525-111.420
  135    H3*    C  13           H3*        C  13  49.249  46.673-110.617
  136   1H2*    C  13          1H2*        C  13  48.762  46.836-108.348
  137   2HO*    C  13          2HO*        C  13  47.257  48.408-107.570
  138    H1*    C  13           H1*        C  13  46.112  46.720-108.450
  139   1H4     C  13          1H4         C  13  47.327  40.546-107.992
  140   2H4     C  13          2H4         C  13  47.518  40.464-109.729
  141    H5     C  13           H5         C  13  47.692  42.414-111.128
  142    H6     C  13           H6         C  13  47.574  44.858-111.182
  143   1H5*    U  14          1H5*        U  14  51.911  50.108-107.871
  144   2H5*    U  14          2H5*        U  14  50.194  50.151-108.256
  145    H4*    U  14           H4*        U  14  50.187  49.793-105.960
  146    H3*    U  14           H3*        U  14  52.655  48.160-106.479
  147   1H2*    U  14          1H2*        U  14  52.179  46.694-104.755
  148   2HO*    U  14          2HO*        U  14  50.555  47.239-103.160
  149    H1*    U  14           H1*        U  14  49.434  46.668-104.941
  150    H3     U  14           H3         U  14  50.756  42.409-105.675
  151    H5     U  14           H5         U  14  51.240  44.360-109.377
  152    H6     U  14           H6         U  14  50.946  46.468-108.230
  153   1H5*    C  15          1H5*        C  15  53.975  49.507-101.572
  154   2H5*    C  15          2H5*        C  15  52.587  49.528-102.653
  155    H4*    C  15           H4*        C  15  52.186  47.820-101.037
  156    H3*    C  15           H3*        C  15  55.036  47.065-101.623
  157   1H2*    C  15          1H2*        C  15  54.589  44.819-101.341
  158   2HO*    C  15          2HO*        C  15  52.585  44.133-100.334
  159    H1*    C  15           H1*        C  15  52.031  44.771-102.311
  160   1H4     C  15          1H4         C  15  55.347  42.039-106.915
  161   2H4     C  15          2H4         C  15  55.640  43.614-107.623
  162    H5     C  15           H5         C  15  55.235  45.682-106.440
  163    H6     C  15           H6         C  15  54.156  46.692-104.501
  164   1H5*    C  16          1H5*        C  16  55.798  45.696 -96.613
  165   2H5*    C  16          2H5*        C  16  54.388  45.819 -97.654
  166    H4*    C  16           H4*        C  16  54.726  43.512 -96.996
  167    H3*    C  16           H3*        C  16  57.482  43.915 -98.174
  168   1H2*    C  16          1H2*        C  16  57.504  41.612 -98.709
  169   2HO*    C  16          2HO*        C  16  55.025  41.385 -97.310
  170    H1*    C  16           H1*        C  16  54.964  41.544 -99.655
  171   1H4     C  16          1H4         C  16  58.377  44.121-104.637
  172   2H4     C  16          2H4         C  16  58.469  42.388-104.862
  173    H5     C  16           H5         C  16  57.411  45.149-102.701
  174    H6     C  16           H6         C  16  56.378  44.744-100.505
  175   1H5*    C  17          1H5*        C  17  59.947  40.436 -95.674
  176   2H5*    C  17          2H5*        C  17  58.233  40.795 -95.840
  177    H4*    C  17           H4*        C  17  58.537  39.042 -97.342
  178    H3*    C  17           H3*        C  17  61.193  40.337 -97.880
  179   1H2*    C  17          1H2*        C  17  61.217  39.567-100.062
  180   2HO*    C  17          2HO*        C  17  59.455  37.591 -99.051
  181    H1*    C  17           H1*        C  17  58.436  39.524-100.467
  182   1H4     C  17          1H4         C  17  60.217  45.165-103.205
  183   2H4     C  17          2H4         C  17  60.387  43.966-104.474
  184    H5     C  17           H5         C  17  59.894  44.596-100.868
  185    H6     C  17           H6         C  17  59.465  42.766 -99.293
  186   1H5*    C  18          1H5*        C  18  63.433  35.559 -98.174
  187   2H5*    C  18          2H5*        C  18  61.798  36.167 -98.394
  188    H4*    C  18           H4*        C  18  62.507  35.276-100.493
  189    H3*    C  18           H3*        C  18  65.011  36.821 -99.912
  190   1H2*    C  18          1H2*        C  18  65.358  37.281-102.160
  191   2HO*    C  18          2HO*        C  18  63.852  36.160-103.727
  192    H1*    C  18           H1*        C  18  62.721  37.617-102.903
  193   1H4     C  18          1H4         C  18  64.839  43.588-102.296
  194   2H4     C  18          2H4         C  18  64.438  43.527-100.599
  195    H5     C  18           H5         C  18  63.841  41.527 -99.465
  196    H6     C  18           H6         C  18  63.315  39.154 -99.704
  197   1H5*    C  19          1H5*        C  19  68.238  33.073-101.533
  198   2H5*    C  19          2H5*        C  19  66.515  33.409-101.677
  199    H4*    C  19           H4*        C  19  67.636  34.505-103.491
  200    H3*    C  19           H3*        C  19  69.451  35.574-101.320
  201   1H2*    C  19          1H2*        C  19  69.645  37.582-102.424
  202   2HO*    C  19          2HO*        C  19  68.756  36.226-104.763
  203    H1*    C  19           H1*        C  19  67.135  37.575-103.696
  204   1H4     C  19          1H4         C  19  67.287  42.515 -99.724
  205   2H4     C  19          2H4         C  19  66.679  41.488 -98.438
  206    H5     C  19           H5         C  19  66.520  39.066 -98.627
  207    H6     C  19           H6         C  19  66.827  37.142-100.128
  208   1H5*    C  20          1H5*        C  20  71.954  35.574-106.184
  209   2H5*    C  20          2H5*        C  20  70.653  35.966-107.287
  210    H4*    C  20           H4*        C  20  71.823  37.895-107.515
  211    H3*    C  20           H3*        C  20  72.817  37.525-104.691
  212   1H2*    C  20          1H2*        C  20  73.618  39.722-104.818
  213   2HO*    C  20          2HO*        C  20  73.010  40.669-107.130
  214    H1*    C  20           H1*        C  20  71.428  40.640-106.174
  215   1H4     C  20          1H4         C  20  70.541  42.787-100.324
  216   2H4     C  20          2H4         C  20  69.902  41.230 -99.835
  217    H5     C  20           H5         C  20  70.116  39.248-101.190
  218    H6     C  20           H6         C  20  70.687  38.394-103.448
  219   1H5*    C  21          1H5*        C  21  77.485  37.310-106.842
  220   2H5*    C  21          2H5*        C  21  75.962  38.244-106.787
  221    H4*    C  21           H4*        C  21  77.823  39.700-106.261
  222    H3*    C  21           H3*        C  21  78.513  37.493-104.351
  223   1H2*    C  21          1H2*        C  21  79.200  38.957-102.713
  224   2HO*    C  21          2HO*        C  21  80.656  40.053-104.117
  225    H1*    C  21           H1*        C  21  77.579  41.151-103.445
  226   1H4     C  21          1H4         C  21  76.132  38.850 -97.635
  227   2H4     C  21          2H4         C  21  74.596  38.380 -98.325
  228    H5     C  21           H5         C  21  74.125  38.483-100.678
  229    H6     C  21           H6         C  21  74.986  39.113-102.885
  230   1H5*    U  22          1H5*        U  22  82.748  39.189-107.290
  231   2H5*    U  22          2H5*        U  22  83.409  40.778-106.802
  232    H4*    U  22           H4*        U  22  84.187  39.771-104.672
  233    H3*    U  22           H3*        U  22  85.285  39.430-107.243
  234   1H2*    U  22          1H2*        U  22  84.950  37.202-107.534
  235   2HO*    U  22          2HO*        U  22  87.167  37.212-107.155
  236    H1*    U  22           H1*        U  22  84.975  36.497-104.640
  237    H3     U  22           H3         U  22  84.001  32.429-106.343
  238    H5     U  22           H5         U  22  80.848  34.879-107.690
  239    H6     U  22           H6         U  22  82.033  36.790-106.780
  240   1H5*    U  23          1H5*        U  23  87.896  36.825-105.761
  241   2H5*    U  23          2H5*        U  23  89.342  37.167-106.757
  242    H4*    U  23           H4*        U  23  89.804  35.423-105.133
  243    H3*    U  23           H3*        U  23  88.691  37.515-103.270
  244   1H2*    U  23          1H2*        U  23  90.298  37.373-101.696
  245   2HO*    U  23          2HO*        U  23  90.767  34.720-102.600
  246    H1*    U  23           H1*        U  23  92.373  36.290-103.214
  247    H3     U  23           H3         U  23  94.624  39.919-101.850
  248    H5     U  23           H5         U  23  90.977  41.532-103.222
  249    H6     U  23           H6         U  23  90.249  39.265-103.731
  250   1H5*    U  24          1H5*        U  24  87.550  32.177-104.333
  251   2H5*    U  24          2H5*        U  24  88.641  33.366-103.610
  252    H4*    U  24           H4*        U  24  88.230  30.933-102.572
  253    H3*    U  24           H3*        U  24  86.204  32.818-101.431
  254   1H2*    U  24          1H2*        U  24  86.631  32.171 -99.272
  255   2HO*    U  24          2HO*        U  24  87.688  30.201 -98.781
  256    H1*    U  24           H1*        U  24  89.351  31.645 -99.554
  257    H3     U  24           H3         U  24  88.560  34.759 -96.283
  258    H5     U  24           H5         U  24  88.633  36.892 -99.915
  259    H6     U  24           H6         U  24  88.672  34.765-101.081
  260   1H5*    U  25          1H5*        U  25  82.386  29.958-100.103
  261   2H5*    U  25          2H5*        U  25  84.095  29.548-100.121
  262    H4*    U  25           H4*        U  25  83.431  29.767 -97.837
  263    H3*    U  25           H3*        U  25  82.190  32.358 -98.753
  264   1H2*    U  25          1H2*        U  25  82.575  33.290 -96.639
  265   2HO*    U  25          2HO*        U  25  83.316  31.941 -94.894
  266    H1*    U  25           H1*        U  25  85.030  32.206 -96.238
  267    H3     U  25           H3         U  25  85.566  36.695 -96.552
  268    H5     U  25           H5         U  25  85.668  35.266-100.514
  269    H6     U  25           H6         U  25  84.902  33.119 -99.691
  270   1H5*    C  26          1H5*        C  26  77.835  32.228 -96.147
  271   2H5*    C  26          2H5*        C  26  79.393  31.463 -95.868
  272    H4*    C  26           H4*        C  26  79.269  33.198 -94.280
  273    H3*    C  26           H3*        C  26  78.123  34.792 -96.553
  274   1H2*    C  26          1H2*        C  26  79.046  36.751 -95.744
  275   2HO*    C  26          2HO*        C  26  79.782  36.853 -93.515
  276    H1*    C  26           H1*        C  26  81.265  35.634 -94.464
  277   1H4     C  26          1H4         C  26  83.955  39.026 -99.010
  278   2H4     C  26          2H4         C  26  83.864  37.641-100.077
  279    H5     C  26           H5         C  26  82.547  35.677 -99.583
  280    H6     C  26           H6         C  26  81.200  34.542 -97.885
  281   1H5*    C  27          1H5*        C  27  74.819  37.817 -94.761
  282   2H5*    C  27          2H5*        C  27  74.439  37.766 -93.022
  283    H4*    C  27           H4*        C  27  76.258  39.132 -92.481
  284    H3*    C  27           H3*        C  27  75.057  39.944 -95.123
  285   1H2*    C  27          1H2*        C  27  76.658  41.562 -95.472
  286   2HO*    C  27          2HO*        C  27  76.531  41.713 -92.724
  287    H1*    C  27           H1*        C  27  78.750  40.338 -94.017
  288   1H4     C  27          1H4         C  27  80.891  40.363 -99.903
  289   2H4     C  27          2H4         C  27  80.295  38.726-100.086
  290    H5     C  27           H5         C  27  78.723  37.716 -98.549
  291    H6     C  27           H6         C  27  77.633  37.951 -96.363
  292   1H5*    G  28          1H5*        G  28  73.400  44.654 -92.625
  293   2H5*    G  28          2H5*        G  28  74.442  43.396 -91.980
  294    H4*    G  28           H4*        G  28  75.825  45.234 -91.814
  295    H3*    G  28           H3*        G  28  74.333  46.276 -94.183
  296   1H2*    G  28          1H2*        G  28  76.138  47.306 -95.149
  297   2HO*    G  28          2HO*        G  28  78.036  47.788 -93.926
  298    H1*    G  28           H1*        G  28  78.163  45.613 -94.400
  299    H8     G  28           H8         G  28  75.281  43.530 -95.540
  300    H1     G  28           H1         G  28  79.053  45.317-100.335
  301   1H2     G  28          1H2         G  28  80.251  47.746 -98.185
  302   2H2     G  28          2H2         G  28  80.306  47.016 -99.782
  303   1H5*    A  29          1H5*        A  29  73.560  50.146 -94.897
  304   2H5*    A  29          2H5*        A  29  74.758  51.279 -94.283
  305    H4*    A  29           H4*        A  29  75.606  51.511 -96.355
  306    H3*    A  29           H3*        A  29  73.508  49.421 -97.064
  307   1H2*    A  29          1H2*        A  29  74.357  49.532 -99.283
  308   2HO*    A  29          2HO*        A  29  76.159  51.570 -98.429
  309    H1*    A  29           H1*        A  29  76.968  49.496 -98.507
  310    H8     A  29           H8         A  29  74.861  46.915 -96.613
  311   1H6     A  29          1H6         A  29  75.399  43.388-101.682
  312   2H6     A  29          2H6         A  29  74.947  43.393 -99.986
  313    H2     A  29           H2         A  29  76.879  47.504-102.659
  314   1H5*    G  30          1H5*        G  30  72.311  53.451-100.208
  315   2H5*    G  30          2H5*        G  30  73.401  52.578 -99.133
  316    H4*    G  30           H4*        G  30  73.819  52.131-101.546
  317    H3*    G  30           H3*        G  30  70.995  51.094-101.361
  318   1H2*    G  30          1H2*        G  30  71.484  49.339-102.800
  319   2HO*    G  30          2HO*        G  30  73.958  50.658-103.374
  320    H1*    G  30           H1*        G  30  74.008  48.790-101.867
  321    H8     G  30           H8         G  30  71.714  49.250 -98.921
  322    H1     G  30           H1         G  30  71.200  43.563-101.746
  323   1H2     G  30          1H2         G  30  72.944  45.078-104.345
  324   2H2     G  30          2H2         G  30  72.172  43.633-103.731
  325   1H5*    G  31          1H5*        G  31  69.725  51.196-106.188
  326   2H5*    G  31          2H5*        G  31  71.303  51.163-105.416
  327    H4*    G  31           H4*        G  31  71.104  48.996-106.224
  328    H3*    G  31           H3*        G  31  68.187  49.185-105.466
  329   1H2*    G  31          1H2*        G  31  68.135  46.867-105.166
  330   2HO*    G  31          2HO*        G  31  70.113  45.678-106.032
  331    H1*    G  31           H1*        G  31  70.827  46.549-104.470
  332    H8     G  31           H8         G  31  68.944  48.721-102.076
  333    H1     G  31           H1         G  31  67.844  42.464-101.376
  334   1H2     G  31          1H2         G  31  69.327  42.198-104.506
  335   2H2     G  31          2H2         G  31  68.563  41.385-103.161
  336   1H5*    G  32          1H5*        G  32  66.309  49.053-110.999
  337   2H5*    G  32          2H5*        G  32  68.022  48.860-110.696
  338    H4*    G  32           H4*        G  32  67.487  46.772-111.491
  339    H3*    G  32           H3*        G  32  64.797  47.154-110.224
  340   1H2*    G  32          1H2*        G  32  64.501  44.871-109.888
  341   2HO*    G  32          2HO*        G  32  66.285  43.482-111.009
  342    H1*    G  32           H1*        G  32  67.143  44.135-109.456
  343    H8     G  32           H8         G  32  65.997  47.053-107.391
  344    H1     G  32           H1         G  32  64.754  41.596-104.438
  345   1H2     G  32          1H2         G  32  65.240  40.046-107.476
  346   2H2     G  32          2H2         G  32  64.825  39.901-105.769
  347   1H5*    U  33          1H5*        U  33  63.569  43.415-112.541
  348   2H5*    U  33          2H5*        U  33  62.203  43.896-113.595
  349    H4*    U  33           H4*        U  33  63.143  41.849-114.460
  350    H3*    U  33           H3*        U  33  65.581  42.794-113.471
  351   1H2*    U  33          1H2*        U  33  66.262  44.103-115.196
  352   2HO*    U  33          2HO*        U  33  66.583  41.541-116.424
  353    H1*    U  33           H1*        U  33  64.853  42.609-117.353
  354    H3     U  33           H3         U  33  65.702  46.029-120.100
  355    H5     U  33           H5         U  33  64.702  47.973-116.496
  356    H6     U  33           H6         U  33  64.460  45.791-115.462
  357   1H5*    C  34          1H5*        C  34  68.476  38.996-114.891
  358   2H5*    C  34          2H5*        C  34  67.815  40.348-115.862
  359    H4*    C  34           H4*        C  34  70.240  40.271-116.133
  360    H3*    C  34           H3*        C  34  70.132  40.094-113.156
  361   1H2*    C  34          1H2*        C  34  71.896  41.526-112.798
  362   2HO*    C  34          2HO*        C  34  72.603  41.195-115.547
  363    H1*    C  34           H1*        C  34  71.497  43.275-114.889
  364   1H4     C  34          1H4         C  34  68.621  44.535-109.042
  365   2H4     C  34          2H4         C  34  69.617  45.917-109.437
  366    H5     C  34           H5         C  34  68.325  42.643-110.532
  367    H6     C  34           H6         C  34  69.005  41.659-112.653
  368   1H5*    A  35          1H5*        A  35  74.808  39.071-112.897
  369   2H5*    A  35          2H5*        A  35  73.662  40.072-113.823
  370    H4*    A  35           H4*        A  35  74.918  41.664-112.779
  371    H3*    A  35           H3*        A  35  75.683  39.624-110.979
  372   1H2*    A  35          1H2*        A  35  74.333  40.191-109.207
  373   2HO*    A  35          2HO*        A  35  76.096  42.443-109.217
  374    H1*    A  35           H1*        A  35  74.097  43.053-110.038
  375    H8     A  35           H8         A  35  71.222  41.011-110.542
  376   1H6     A  35          1H6         A  35  68.518  42.460-106.778
  377   2H6     A  35          2H6         A  35  68.947  43.176-105.241
  378    H2     A  35           H2         A  35  73.397  43.638-105.211
  379   1H5*    U  36          1H5*        U  36  79.864  43.405-110.894
  380   2H5*    U  36          2H5*        U  36  78.175  43.472-111.357
  381    H4*    U  36           H4*        U  36  78.642  45.516-110.275
  382    H3*    U  36           H3*        U  36  79.937  43.833-108.128
  383   1H2*    U  36          1H2*        U  36  79.497  45.533-106.604
  384   2HO*    U  36          2HO*        U  36  78.916  47.174-108.868
  385    H1*    U  36           H1*        U  36  77.038  46.232-107.659
  386    H3     U  36           H3         U  36  76.579  44.982-103.319
  387    H5     U  36           H5         U  36  76.441  41.411-105.558
  388    H6     U  36           H6         U  36  77.179  42.664-107.500
  389   1H5*    C  37          1H5*        C  37  84.481  46.176-107.241
  390   2H5*    C  37          2H5*        C  37  83.134  47.006-108.005
  391    H4*    C  37           H4*        C  37  83.363  48.130-105.976
  392    H3*    C  37           H3*        C  37  83.989  45.416-104.838
  393   1H2*    C  37          1H2*        C  37  83.085  45.975-102.798
  394   2HO*    C  37          2HO*        C  37  83.574  48.653-103.602
  395    H1*    C  37           H1*        C  37  81.173  47.818-103.687
  396   1H4     C  37          1H4         C  37  77.844  42.987-101.393
  397   2H4     C  37          2H4         C  37  77.875  42.245-102.970
  398    H5     C  37           H5         C  37  79.307  42.985-104.752
  399    H6     C  37           H6         C  37  80.856  44.734-105.478
  400   1H5*    G  38          1H5*        G  38  87.326  48.062-101.322
  401   2H5*    G  38          2H5*        G  38  86.180  48.877-102.380
  402    H4*    G  38           H4*        G  38  85.462  49.608-100.298
  403    H3*    G  38           H3*        G  38  86.489  46.952 -99.364
  404   1H2*    G  38          1H2*        G  38  84.927  46.725 -97.692
  405   2HO*    G  38          2HO*        G  38  84.499  49.522 -98.042
  406    H1*    G  38           H1*        G  38  82.752  47.751 -98.966
  407    H8     G  38           H8         G  38  84.858  45.604-101.283
  408    H1     G  38           H1         G  38  80.675  42.288 -97.808
  409   1H2     G  38          1H2         G  38  80.477  45.159 -95.853
  410   2H2     G  38          2H2         G  38  79.952  43.510 -96.111
  411   1H5*    G  39          1H5*        G  39  87.910  48.279 -94.764
  412   2H5*    G  39          2H5*        G  39  86.705  48.893 -95.886
  413    H4*    G  39           H4*        G  39  85.536  47.770 -94.135
  414    H3*    G  39           H3*        G  39  87.497  45.533 -94.643
  415   1H2*    G  39          1H2*        G  39  85.900  43.991 -93.943
  416   2HO*    G  39          2HO*        G  39  84.589  46.253 -92.829
  417    H1*    G  39           H1*        G  39  83.727  45.230 -95.091
  418    H8     G  39           H8         G  39  86.495  45.115 -97.610
  419    H1     G  39           H1         G  39  83.420  39.556 -97.048
  420   1H2     G  39          1H2         G  39  82.253  39.515 -95.166
  421   2H2     G  39          2H2         G  39  82.221  40.866 -94.052
  422   1H5*    A  40          1H5*        A  40  88.832  44.299 -89.679
  423   2H5*    A  40          2H5*        A  40  87.371  45.174 -90.114
  424    H4*    A  40           H4*        A  40  86.512  43.188 -89.272
  425    H3*    A  40           H3*        A  40  88.965  41.951 -90.481
  426   1H2*    A  40          1H2*        A  40  87.897  39.976 -90.922
  427   2HO*    A  40          2HO*        A  40  85.866  39.463 -89.843
  428    H1*    A  40           H1*        A  40  85.319  40.936 -91.282
  429    H8     A  40           H8         A  40  87.751  42.602 -93.623
  430   1H6     A  40          1H6         A  40  86.546  37.957 -97.480
  431   2H6     A  40          2H6         A  40  87.148  39.593 -97.352
  432    H2     A  40           H2         A  40  85.147  36.758 -93.376
  433   1H5*    A  41          1H5*        A  41  88.212  38.367 -86.536
  434   2H5*    A  41          2H5*        A  41  86.985  39.422 -87.296
  435    H4*    A  41           H4*        A  41  86.172  37.157 -87.366
  436    H3*    A  41           H3*        A  41  88.941  36.557 -88.333
  437   1H2*    A  41          1H2*        A  41  88.245  34.996 -89.871
  438   2HO*    A  41          2HO*        A  41  86.166  34.023 -89.740
  439    H1*    A  41           H1*        A  41  85.847  36.113 -90.609
  440    H8     A  41           H8         A  41  88.999  38.282 -90.391
  441   1H6     A  41          1H6         A  41  90.546  37.771 -94.942
  442   2H6     A  41          2H6         A  41  90.037  36.746 -96.265
  443    H2     A  41           H2         A  41  86.555  34.335 -94.775
  444   1H5*    C  42          1H5*        C  42  89.194  31.938 -86.608
  445   2H5*    C  42          2H5*        C  42  87.984  32.505 -87.797
  446    H4*    C  42           H4*        C  42  89.266  30.481 -88.528
  447    H3*    C  42           H3*        C  42  91.530  32.392 -88.137
  448   1H2*    C  42          1H2*        C  42  92.552  31.844 -90.085
  449   2HO*    C  42          2HO*        C  42  91.123  29.395 -90.054
  450    H1*    C  42           H1*        C  42  90.386  31.013 -91.567
  451   1H4     C  42          1H4         C  42  92.616  36.266 -94.330
  452   2H4     C  42          2H4         C  42  92.343  37.206 -92.880
  453    H5     C  42           H5         C  42  91.447  36.272 -90.852
  454    H6     C  42           H6         C  42  90.647  34.225 -89.763
  455   1H5*    C  43          1H5*        C  43  94.291  27.986 -88.308
  456   2H5*    C  43          2H5*        C  43  92.776  28.617 -89.018
  457    H4*    C  43           H4*        C  43  94.360  27.841 -90.751
  458    H3*    C  43           H3*        C  43  96.162  29.734 -89.300
  459   1H2*    C  43          1H2*        C  43  97.055  30.636 -91.190
  460   2HO*    C  43          2HO*        C  43  96.050  28.402 -92.651
  461    H1*    C  43           H1*        C  43  94.861  30.489 -92.872
  462   1H4     C  43          1H4         C  43  95.533  36.546 -91.021
  463   2H4     C  43          2H4         C  43  94.987  36.147 -89.407
  464    H5     C  43           H5         C  43  94.479  33.901 -88.703
  465    H6     C  43           H6         C  43  94.326  31.546 -89.421
  466   1H5*    A  44          1H5*        A  44  98.590  29.053 -86.729
  467   2H5*    A  44          2H5*        A  44 100.229  28.855 -87.424
  468    H4*    A  44           H4*        A  44  99.950  31.153 -86.678
  469    H3*    A  44           H3*        A  44  97.294  30.802 -87.822
  470   1H2*    A  44          1H2*        A  44  97.454  32.107 -89.593
  471   2HO*    A  44          2HO*        A  44  98.460  34.087 -87.798
  472    H1*    A  44           H1*        A  44 100.115  33.272 -89.092
  473    H8     A  44           H8         A  44  99.222  30.116 -91.062
  474   1H6     A  44          1H6         A  44  99.674  31.911 -95.530
  475   2H6     A  44          2H6         A  44  99.969  33.522 -96.145
  476    H2     A  44           H2         A  44 100.323  36.235 -92.580
  477    H3T    A  44           H3T        A  44  96.960  32.689 -86.543
   
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1  60.241  34.730-112.757
    2   2H5*    G   1          2H5*        G   1  61.702  35.406-112.010
    3    H4*    G   1           H4*        G   1  59.911  33.849-110.692
    4    H3*    G   1           H3*        G   1  59.149  36.739-110.283
    5   1H2*    G   1          1H2*        G   1  58.654  36.289-108.043
    6   2HO*    G   1          2HO*        G   1  59.061  33.505-108.600
    7    H1*    G   1           H1*        G   1  60.809  34.766-107.586
    8    H8     G   1           H8         G   1  61.734  37.694-109.674
    9    H1     G   1           H1         G   1  60.102  39.366-103.750
   10   1H2     G   1          1H2         G   1  58.726  36.182-103.563
   11   2H2     G   1          2H2         G   1  59.010  37.711-102.759
   12    H5T    G   1           H5T        G   1  60.503  36.981-113.122
   13   1H5*    G   2          1H5*        G   2  55.696  31.352-110.566
   14   2H5*    G   2          2H5*        G   2  57.329  31.758-110.036
   15    H4*    G   2           H4*        G   2  55.871  30.859-108.202
   16    H3*    G   2           H3*        G   2  54.243  33.248-108.990
   17   1H2*    G   2          1H2*        G   2  53.971  34.031-106.852
   18   2HO*    G   2          2HO*        G   2  54.949  31.527-105.880
   19    H1*    G   2           H1*        G   2  56.400  33.461-105.801
   20    H8     G   2           H8         G   2  56.633  34.702-109.378
   21    H1     G   2           H1         G   2  56.566  39.374-105.022
   22   1H2     G   2          1H2         G   2  55.494  36.898-102.827
   23   2H2     G   2          2H2         G   2  55.899  38.584-103.070
   24   1H5*    G   3          1H5*        G   3  50.076  31.626-106.180
   25   2H5*    G   3          2H5*        G   3  51.773  31.177-106.061
   26    H4*    G   3           H4*        G   3  51.404  32.354-104.067
   27    H3*    G   3           H3*        G   3  49.572  33.990-105.770
   28   1H2*    G   3          1H2*        G   3  50.038  35.968-104.714
   29   2HO*    G   3          2HO*        G   3  51.172  35.868-102.584
   30    H1*    G   3           H1*        G   3  52.637  35.478-103.924
   31    H8     G   3           H8         G   3  52.102  34.897-107.609
   32    H1     G   3           H1         G   3  53.242  40.981-106.089
   33   1H2     G   3          1H2         G   3  52.459  39.994-102.844
   34   2H2     G   3          2H2         G   3  52.923  41.295-103.919
   35   1H5*    A   4          1H5*        A   4  46.305  34.474-101.236
   36   2H5*    A   4          2H5*        A   4  47.941  33.832-101.208
   37    H4*    A   4           H4*        A   4  48.000  35.514 -99.578
   38    H3*    A   4           H3*        A   4  46.126  36.958-101.421
   39   1H2*    A   4          1H2*        A   4  46.962  39.046-100.919
   40   2HO*    A   4          2HO*        A   4  48.075  37.767 -98.633
   41    H1*    A   4           H1*        A   4  49.608  38.449-100.738
   42    H8     A   4           H8         A   4  48.074  36.543-103.573
   43   1H6     A   4          1H6         A   4  49.390  41.405-107.105
   44   2H6     A   4          2H6         A   4  48.983  39.704-107.103
   45    H2     A   4           H2         A   4  49.774  42.654-102.805
   46   1H5*    G   5          1H5*        G   5  44.026  39.746 -97.673
   47   2H5*    G   5          2H5*        G   5  45.478  38.767 -97.835
   48    H4*    G   5           H4*        G   5  46.328  40.905 -98.055
   49    H3*    G   5           H3*        G   5  43.695  41.545 -99.315
   50   1H2*    G   5          1H2*        G   5  44.570  43.062-100.807
   51   2HO*    G   5          2HO*        G   5  46.474  44.202-100.367
   52    H1*    G   5           H1*        G   5  47.220  42.063-100.940
   53    H8     G   5           H8         G   5  45.059  39.337-102.081
   54    H1     G   5           H1         G   5  46.107  43.637-106.647
   55   1H2     G   5          1H2         G   5  46.836  45.542-105.794
   56   2H2     G   5          2H2         G   5  47.060  45.762-104.069
   57   1H5*    C   6          1H5*        C   6  41.304  42.689 -96.339
   58   2H5*    C   6          2H5*        C   6  40.856  44.341 -96.840
   59    H4*    C   6           H4*        C   6  38.913  43.067 -97.172
   60    H3*    C   6           H3*        C   6  40.743  40.944 -98.238
   61   1H2*    C   6          1H2*        C   6  39.211  40.290 -99.821
   62   2HO*    C   6          2HO*        C   6  37.534  39.962 -98.297
   63    H1*    C   6           H1*        C   6  37.850  42.726-100.160
   64   1H4     C   6          1H4         C   6  40.655  41.371-105.655
   65   2H4     C   6          2H4         C   6  42.135  40.890-104.855
   66    H5     C   6           H5         C   6  42.418  40.951-102.464
   67    H6     C   6           H6         C   6  41.421  41.620-100.339
   68   1H5*    U   7          1H5*        U   7  36.560  37.898 -96.190
   69   2H5*    U   7          2H5*        U   7  36.726  39.640 -96.558
   70    H4*    U   7           H4*        U   7  34.806  38.998 -97.762
   71    H3*    U   7           H3*        U   7  36.293  36.441 -98.188
   72   1H2*    U   7          1H2*        U   7  35.592  36.141-100.345
   73   2HO*    U   7          2HO*        U   7  33.370  36.318 -99.781
   74    H1*    U   7           H1*        U   7  35.163  38.830-101.071
   75    H3     U   7           H3         U   7  38.089  37.890-104.294
   76    H5     U   7           H5         U   7  40.324  37.258-100.785
   77    H6     U   7           H6         U   7  38.307  37.580 -99.501
   78   1H5*    C   8          1H5*        C   8  34.616  32.609 -98.029
   79   2H5*    C   8          2H5*        C   8  32.858  32.331 -97.849
   80    H4*    C   8           H4*        C   8  33.820  31.417 -99.967
   81    H3*    C   8           H3*        C   8  34.952  34.067-100.099
   82   1H2*    C   8          1H2*        C   8  33.511  35.027-101.511
   83   2HO*    C   8          2HO*        C   8  34.248  32.890-103.256
   84    H1*    C   8           H1*        C   8  32.187  32.546-102.452
   85   1H4     C   8          1H4         C   8  27.693  36.914-103.244
   86   2H4     C   8          2H4         C   8  27.855  37.424-101.578
   87    H5     C   8           H5         C   8  29.503  36.489-100.078
   88    H6     C   8           H6         C   8  31.338  34.916 -99.842
   89   1H5*    A   9          1H5*        A   9  37.345  32.477-104.640
   90   2H5*    A   9          2H5*        A   9  35.620  32.047-104.457
   91    H4*    A   9           H4*        A   9  36.269  33.010-106.706
   92    H3*    A   9           H3*        A   9  36.904  35.318-104.909
   93   1H2*    A   9          1H2*        A   9  35.961  36.861-106.302
   94   2HO*    A   9          2HO*        A   9  36.134  34.943-108.404
   95    H1*    A   9           H1*        A   9  33.974  35.251-107.456
   96    H8     A   9           H8         A   9  33.143  34.917-103.990
   97   1H6     A   9          1H6         A   9  31.410  40.818-103.694
   98   2H6     A   9          2H6         A   9  31.354  39.265-102.892
   99    H2     A   9           H2         A   9  33.756  40.249-107.487
  100   1H5*    A  10          1H5*        A  10  39.592  36.492-109.357
  101   2H5*    A  10          2H5*        A  10  38.200  35.534-108.773
  102    H4*    A  10           H4*        A  10  37.177  36.932-110.304
  103    H3*    A  10           H3*        A  10  39.241  38.951-109.470
  104   1H2*    A  10          1H2*        A  10  37.854  40.718-109.894
  105   2HO*    A  10          2HO*        A  10  36.045  40.535-111.284
  106    H1*    A  10           H1*        A  10  35.410  39.470-109.317
  107    H8     A  10           H8         A  10  37.398  39.145-106.242
  108   1H6     A  10          1H6         A  10  36.813  45.210-105.323
  109   2H6     A  10          2H6         A  10  37.281  43.692-104.592
  110    H2     A  10           H2         A  10  35.539  44.278-109.532
  111   1H5*    C  11          1H5*        C  11  38.842  41.303-113.564
  112   2H5*    C  11          2H5*        C  11  37.852  40.453-112.345
  113    H4*    C  11           H4*        C  11  37.211  42.777-112.326
  114    H3*    C  11           H3*        C  11  40.149  43.218-112.429
  115   1H2*    C  11          1H2*        C  11  40.224  44.897-110.927
  116   2HO*    C  11          2HO*        C  11  38.398  46.165-110.416
  117    H1*    C  11           H1*        C  11  38.168  44.232-109.275
  118   1H4     C  11          1H4         C  11  43.508  41.011-107.103
  119   2H4     C  11          2H4         C  11  43.265  42.356-106.012
  120    H5     C  11           H5         C  11  42.163  40.645-109.069
  121    H6     C  11           H6         C  11  40.268  41.485-110.392
  122   1H5*    U  12          1H5*        U  12  42.656  44.765-114.487
  123   2H5*    U  12          2H5*        U  12  41.571  45.932-115.327
  124    H4*    U  12           H4*        U  12  43.160  47.469-114.733
  125    H3*    U  12           H3*        U  12  44.041  45.418-112.703
  126   1H2*    U  12          1H2*        U  12  44.777  46.991-111.193
  127   2HO*    U  12          2HO*        U  12  45.193  49.161-111.821
  128    H1*    U  12           H1*        U  12  42.893  48.961-111.627
  129    H3     U  12           H3         U  12  41.755  48.025-107.466
  130    H5     U  12           H5         U  12  42.267  44.191-109.136
  131    H6     U  12           H6         U  12  42.600  45.243-111.288
  132   1H5*    C  13          1H5*        C  13  48.480  47.926-113.848
  133   2H5*    C  13          2H5*        C  13  46.722  47.957-113.780
  134    H4*    C  13           H4*        C  13  47.649  49.504-112.145
  135    H3*    C  13           H3*        C  13  49.263  47.097-111.391
  136   1H2*    C  13          1H2*        C  13  49.103  47.538-109.112
  137   2HO*    C  13          2HO*        C  13  48.397  50.136-109.969
  138    H1*    C  13           H1*        C  13  46.549  48.311-108.981
  139   1H4     C  13          1H4         C  13  45.850  42.136-107.854
  140   2H4     C  13          2H4         C  13  45.725  41.853-109.575
  141    H5     C  13           H5         C  13  46.269  43.517-111.226
  142    H6     C  13           H6         C  13  46.888  45.858-111.579
  143   1H5*    U  14          1H5*        U  14  52.939  49.700-109.059
  144   2H5*    U  14          2H5*        U  14  51.264  50.144-109.358
  145    H4*    U  14           H4*        U  14  51.330  49.871-107.045
  146    H3*    U  14           H3*        U  14  53.191  47.574-107.622
  147   1H2*    U  14          1H2*        U  14  52.483  46.461-105.710
  148   2HO*    U  14          2HO*        U  14  51.219  47.572-104.098
  149    H1*    U  14           H1*        U  14  49.833  47.223-105.778
  150    H3     U  14           H3         U  14  49.924  42.709-106.029
  151    H5     U  14           H5         U  14  50.550  44.044-109.972
  152    H6     U  14           H6         U  14  50.922  46.264-109.092
  153   1H5*    C  15          1H5*        C  15  55.646  49.395-103.191
  154   2H5*    C  15          2H5*        C  15  54.209  49.602-104.190
  155    H4*    C  15           H4*        C  15  53.626  48.253-102.279
  156    H3*    C  15           H3*        C  15  56.117  46.775-103.056
  157   1H2*    C  15          1H2*        C  15  55.205  44.716-102.554
  158   2HO*    C  15          2HO*        C  15  53.489  46.211-100.870
  159    H1*    C  15           H1*        C  15  52.539  45.291-103.099
  160   1H4     C  15          1H4         C  15  53.916  41.337-107.792
  161   2H4     C  15          2H4         C  15  54.449  42.696-108.759
  162    H5     C  15           H5         C  15  54.817  44.901-107.850
  163    H6     C  15           H6         C  15  54.574  46.319-105.867
  164   1H5*    C  16          1H5*        C  16  56.940  45.216 -98.234
  165   2H5*    C  16          2H5*        C  16  55.615  45.860 -99.203
  166    H4*    C  16           H4*        C  16  55.344  43.464 -99.018
  167    H3*    C  16           H3*        C  16  58.231  43.432 -99.921
  168   1H2*    C  16          1H2*        C  16  57.805  41.493-101.187
  169   2HO*    C  16          2HO*        C  16  55.486  41.116 -99.589
  170    H1*    C  16           H1*        C  16  55.091  41.902-101.552
  171   1H4     C  16          1H4         C  16  58.173  42.804-107.253
  172   2H4     C  16          2H4         C  16  57.714  41.109-107.181
  173    H5     C  16           H5         C  16  57.964  44.315-105.332
  174    H6     C  16           H6         C  16  57.171  44.497-103.000
  175   1H5*    C  17          1H5*        C  17  58.403  40.764 -94.708
  176   2H5*    C  17          2H5*        C  17  56.846  41.452 -95.132
  177    H4*    C  17           H4*        C  17  56.670  39.384 -96.165
  178    H3*    C  17           H3*        C  17  59.637  39.559 -96.663
  179   1H2*    C  17          1H2*        C  17  59.439  37.959 -98.343
  180   2HO*    C  17          2HO*        C  17  57.181  36.967 -98.551
  181    H1*    C  17           H1*        C  17  56.924  38.792 -99.246
  182   1H4     C  17          1H4         C  17  61.328  42.061-102.933
  183   2H4     C  17          2H4         C  17  61.028  40.586-103.825
  184    H5     C  17           H5         C  17  60.539  42.437-100.713
  185    H6     C  17           H6         C  17  59.153  41.565 -98.917
  186   1H5*    C  18          1H5*        C  18  61.789  35.635 -95.978
  187   2H5*    C  18          2H5*        C  18  60.111  36.024 -96.330
  188    H4*    C  18           H4*        C  18  61.063  35.644 -98.438
  189    H3*    C  18           H3*        C  18  63.446  37.113 -97.334
  190   1H2*    C  18          1H2*        C  18  63.982  37.974 -99.409
  191   2HO*    C  18          2HO*        C  18  63.069  37.008-101.344
  192    H1*    C  18           H1*        C  18  61.382  38.066-100.470
  193   1H4     C  18          1H4         C  18  62.920  44.135 -99.997
  194   2H4     C  18          2H4         C  18  62.272  44.158 -98.370
  195    H5     C  18           H5         C  18  61.715  42.156 -97.145
  196    H6     C  18           H6         C  18  61.491  39.715 -97.286
  197   1H5*    C  19          1H5*        C  19  66.448  33.767-100.363
  198   2H5*    C  19          2H5*        C  19  64.737  34.167-100.422
  199    H4*    C  19           H4*        C  19  65.488  34.812-102.531
  200    H3*    C  19           H3*        C  19  67.983  35.656-101.082
  201   1H2*    C  19          1H2*        C  19  68.399  37.343-102.585
  202   2HO*    C  19          2HO*        C  19  67.186  37.341-104.656
  203    H1*    C  19           H1*        C  19  65.774  37.912-103.283
  204   1H4     C  19          1H4         C  19  67.629  43.088-100.228
  205   2H4     C  19          2H4         C  19  67.157  42.357 -98.706
  206    H5     C  19           H5         C  19  66.590  40.012 -98.482
  207    H6     C  19           H6         C  19  66.196  37.916 -99.700
  208   1H5*    C  20          1H5*        C  20  71.417  33.761-104.745
  209   2H5*    C  20          2H5*        C  20  69.739  34.102-105.140
  210    H4*    C  20           H4*        C  20  70.976  35.443-106.629
  211    H3*    C  20           H3*        C  20  72.770  35.823-104.273
  212   1H2*    C  20          1H2*        C  20  73.293  37.975-104.758
  213   2HO*    C  20          2HO*        C  20  72.670  38.821-106.939
  214    H1*    C  20           H1*        C  20  70.935  38.794-105.865
  215   1H4     C  20          1H4         C  20  70.741  41.352-100.128
  216   2H4     C  20          2H4         C  20  70.057  39.867 -99.502
  217    H5     C  20           H5         C  20  70.010  37.809-100.769
  218    H6     C  20           H6         C  20  70.356  36.807-102.984
  219   1H5*    C  21          1H5*        C  21  76.733  36.062-106.781
  220   2H5*    C  21          2H5*        C  21  75.320  37.098-106.432
  221    H4*    C  21           H4*        C  21  77.428  38.297-106.033
  222    H3*    C  21           H3*        C  21  77.985  35.882-104.360
  223   1H2*    C  21          1H2*        C  21  78.881  37.084-102.623
  224   2HO*    C  21          2HO*        C  21  80.363  38.160-104.069
  225    H1*    C  21           H1*        C  21  77.504  39.515-103.033
  226   1H4     C  21          1H4         C  21  75.958  36.830 -97.427
  227   2H4     C  21          2H4         C  21  74.334  36.735 -98.070
  228    H5     C  21           H5         C  21  73.803  37.200-100.360
  229    H6     C  21           H6         C  21  74.678  37.874-102.555
  230   1H5*    U  22          1H5*        U  22  81.881  36.168-106.948
  231   2H5*    U  22          2H5*        U  22  82.425  37.216-108.294
  232    H4*    U  22           H4*        U  22  82.167  39.199-106.835
  233    H3*    U  22           H3*        U  22  84.177  37.232-106.694
  234   1H2*    U  22          1H2*        U  22  83.746  36.347-104.645
  235   2HO*    U  22          2HO*        U  22  84.684  38.917-103.816
  236    H1*    U  22           H1*        U  22  82.491  38.792-103.496
  237    H3     U  22           H3         U  22  81.710  36.038-100.018
  238    H5     U  22           H5         U  22  79.887  34.078-103.275
  239    H6     U  22           H6         U  22  80.824  35.774-104.733
  240   1H5*    U  23          1H5*        U  23  86.302  36.783-106.378
  241   2H5*    U  23          2H5*        U  23  87.241  37.160-107.854
  242    H4*    U  23           H4*        U  23  88.596  35.868-106.328
  243    H3*    U  23           H3*        U  23  87.639  37.976-104.400
  244   1H2*    U  23          1H2*        U  23  89.634  38.439-103.462
  245   2HO*    U  23          2HO*        U  23  90.497  35.844-104.231
  246    H1*    U  23           H1*        U  23  91.346  37.550-105.481
  247    H3     U  23           H3         U  23  92.933  41.740-105.339
  248    H5     U  23           H5         U  23  88.759  42.318-105.548
  249    H6     U  23           H6         U  23  88.497  39.897-105.539
  250   1H5*    U  24          1H5*        U  24  87.699  32.434-104.529
  251   2H5*    U  24          2H5*        U  24  88.591  33.941-104.288
  252    H4*    U  24           H4*        U  24  89.148  31.675-102.972
  253    H3*    U  24           H3*        U  24  87.127  33.238-101.412
  254   1H2*    U  24          1H2*        U  24  88.310  33.047 -99.455
  255   2HO*    U  24          2HO*        U  24  89.940  31.468 -99.167
  256    H1*    U  24           H1*        U  24  90.866  33.117-100.545
  257    H3     U  24           H3         U  24  90.195  36.484 -97.491
  258    H5     U  24           H5         U  24  88.760  37.937-101.178
  259    H6     U  24           H6         U  24  89.016  35.699-102.080
  260   1H5*    U  25          1H5*        U  25  84.285  29.870 -99.086
  261   2H5*    U  25          2H5*        U  25  86.010  29.736 -99.398
  262    H4*    U  25           H4*        U  25  85.709  30.088 -97.049
  263    H3*    U  25           H3*        U  25  83.938  32.366 -97.925
  264   1H2*    U  25          1H2*        U  25  84.535  33.564 -96.005
  265   2HO*    U  25          2HO*        U  25  85.745  32.531 -94.315
  266    H1*    U  25           H1*        U  25  87.147  32.872 -95.964
  267    H3     U  25           H3         U  25  86.912  37.338 -96.676
  268    H5     U  25           H5         U  25  86.578  35.571-100.487
  269    H6     U  25           H6         U  25  86.310  33.423 -99.396
  270   1H5*    C  26          1H5*        C  26  80.168  31.639 -94.425
  271   2H5*    C  26          2H5*        C  26  81.859  31.161 -94.435
  272    H4*    C  26           H4*        C  26  81.696  32.858 -92.800
  273    H3*    C  26           H3*        C  26  79.940  34.202 -94.830
  274   1H2*    C  26          1H2*        C  26  80.627  36.301 -94.171
  275   2HO*    C  26          2HO*        C  26  81.729  36.573 -92.106
  276    H1*    C  26           H1*        C  26  83.202  35.635 -93.343
  277   1H4     C  26          1H4         C  26  84.366  39.148 -98.418
  278   2H4     C  26          2H4         C  26  84.276  37.712 -99.416
  279    H5     C  26           H5         C  26  83.411  35.604 -98.621
  280    H6     C  26           H6         C  26  82.618  34.374 -96.659
  281   1H5*    C  27          1H5*        C  27  76.475  36.612 -92.886
  282   2H5*    C  27          2H5*        C  27  76.259  36.621 -91.121
  283    H4*    C  27           H4*        C  27  77.707  38.424 -90.843
  284    H3*    C  27           H3*        C  27  76.219  38.652 -93.449
  285   1H2*    C  27          1H2*        C  27  77.336  40.558 -94.056
  286   2HO*    C  27          2HO*        C  27  78.342  41.914 -92.545
  287    H1*    C  27           H1*        C  27  79.758  40.032 -92.737
  288   1H4     C  27          1H4         C  27  81.312  39.708 -98.816
  289   2H4     C  27          2H4         C  27  81.030  37.981 -98.765
  290    H5     C  27           H5         C  27  79.845  36.894 -96.966
  291    H6     C  27           H6         C  27  78.955  37.178 -94.697
  292   1H5*    G  28          1H5*        G  28  73.278  42.895 -91.931
  293   2H5*    G  28          2H5*        G  28  74.744  42.324 -91.146
  294    H4*    G  28           H4*        G  28  75.305  44.477 -91.885
  295    H3*    G  28           H3*        G  28  73.627  43.764 -94.264
  296   1H2*    G  28          1H2*        G  28  74.935  44.949 -95.741
  297   2HO*    G  28          2HO*        G  28  75.898  46.314 -93.433
  298    H1*    G  28           H1*        G  28  77.401  44.571 -94.568
  299    H8     G  28           H8         G  28  75.526  41.314 -94.865
  300    H1     G  28           H1         G  28  78.599  42.969-100.192
  301   1H2     G  28          1H2         G  28  78.792  46.129 -98.750
  302   2H2     G  28          2H2         G  28  79.160  45.108-100.123
  303   1H5*    A  29          1H5*        A  29  72.811  48.906 -94.882
  304   2H5*    A  29          2H5*        A  29  73.998  47.910 -94.052
  305    H4*    A  29           H4*        A  29  75.192  49.034 -95.757
  306    H3*    A  29           H3*        A  29  72.831  48.312 -97.484
  307   1H2*    A  29          1H2*        A  29  74.193  48.237 -99.366
  308   2HO*    A  29          2HO*        A  29  76.014  49.745 -97.781
  309    H1*    A  29           H1*        A  29  76.458  47.223 -98.114
  310    H8     A  29           H8         A  29  73.462  45.131 -97.231
  311   1H6     A  29          1H6         A  29  74.670  41.920-102.357
  312   2H6     A  29          2H6         A  29  73.832  41.905-100.820
  313    H2     A  29           H2         A  29  76.959  45.783-102.549
  314   1H5*    G  30          1H5*        G  30  72.309  51.839-100.720
  315   2H5*    G  30          2H5*        G  30  73.773  51.358 -99.873
  316    H4*    G  30           H4*        G  30  73.983  50.557-102.103
  317    H3*    G  30           H3*        G  30  71.146  49.627-101.706
  318   1H2*    G  30          1H2*        G  30  71.491  47.814-103.122
  319   2HO*    G  30          2HO*        G  30  73.856  49.187-103.932
  320    H1*    G  30           H1*        G  30  74.025  47.183-102.321
  321    H8     G  30           H8         G  30  71.817  47.892 -99.312
  322    H1     G  30           H1         G  30  71.231  42.021-101.695
  323   1H2     G  30          1H2         G  30  72.810  43.351-104.494
  324   2H2     G  30          2H2         G  30  72.081  41.953-103.738
  325   1H5*    G  31          1H5*        G  31  69.526  51.090-106.609
  326   2H5*    G  31          2H5*        G  31  71.173  50.787-106.071
  327    H4*    G  31           H4*        G  31  70.735  49.167-107.747
  328    H3*    G  31           H3*        G  31  68.073  48.991-106.386
  329   1H2*    G  31          1H2*        G  31  67.862  46.705-106.802
  330   2HO*    G  31          2HO*        G  31  69.494  45.666-108.211
  331    H1*    G  31           H1*        G  31  70.443  45.973-106.319
  332    H8     G  31           H8         G  31  69.334  48.572-103.802
  333    H1     G  31           H1         G  31  67.708  42.623-102.187
  334   1H2     G  31          1H2         G  31  68.325  41.854-105.512
  335   2H2     G  31          2H2         G  31  67.823  41.297-103.936
  336   1H5*    G  32          1H5*        G  32  66.215  46.809-110.446
  337   2H5*    G  32          2H5*        G  32  67.733  47.073-109.604
  338    H4*    G  32           H4*        G  32  67.364  44.817-109.238
  339    H3*    G  32           H3*        G  32  64.449  45.538-109.032
  340   1H2*    G  32          1H2*        G  32  64.086  43.722-107.619
  341   2HO*    G  32          2HO*        G  32  66.306  42.676-109.001
  342    H1*    G  32           H1*        G  32  66.703  43.592-106.550
  343    H8     G  32           H8         G  32  65.164  46.878-105.696
  344    H1     G  32           H1         G  32  63.332  42.133-101.866
  345   1H2     G  32          1H2         G  32  64.464  40.050-104.411
  346   2H2     G  32          2H2         G  32  63.732  40.182-102.827
  347   1H5*    U  33          1H5*        U  33  64.843  43.074-113.744
  348   2H5*    U  33          2H5*        U  33  63.443  44.079-114.213
  349    H4*    U  33           H4*        U  33  65.144  44.096-115.964
  350    H3*    U  33           H3*        U  33  66.979  44.130-113.822
  351   1H2*    U  33          1H2*        U  33  67.132  46.370-113.470
  352   2HO*    U  33          2HO*        U  33  69.085  45.893-114.628
  353    H1*    U  33           H1*        U  33  66.388  47.201-116.228
  354    H3     U  33           H3         U  33  67.180  50.765-113.197
  355    H5     U  33           H5         U  33  63.095  49.732-113.121
  356    H6     U  33           H6         U  33  63.646  47.727-114.370
  357   1H5*    C  34          1H5*        C  34  69.894  40.924-116.965
  358   2H5*    C  34          2H5*        C  34  70.186  42.514-117.735
  359    H4*    C  34           H4*        C  34  72.282  41.199-117.194
  360    H3*    C  34           H3*        C  34  71.074  41.488-114.483
  361   1H2*    C  34          1H2*        C  34  73.000  42.115-113.443
  362   2HO*    C  34          2HO*        C  34  75.073  41.724-114.384
  363    H1*    C  34           H1*        C  34  74.203  43.560-115.466
  364   1H4     C  34          1H4         C  34  70.043  46.679-111.319
  365   2H4     C  34          2H4         C  34  71.607  47.428-111.091
  366    H5     C  34           H5         C  34  69.657  44.919-112.938
  367    H6     C  34           H6         C  34  70.644  43.469-114.585
  368   1H5*    A  35          1H5*        A  35  74.679  38.398-113.244
  369   2H5*    A  35          2H5*        A  35  74.080  39.746-114.245
  370    H4*    A  35           H4*        A  35  75.647  40.814-112.974
  371    H3*    A  35           H3*        A  35  75.480  38.588-111.258
  372   1H2*    A  35          1H2*        A  35  74.153  39.426-109.628
  373   2HO*    A  35          2HO*        A  35  75.331  40.732-108.131
  374    H1*    A  35           H1*        A  35  74.779  42.290-110.119
  375    H8     A  35           H8         A  35  71.643  41.423-111.456
  376   1H6     A  35          1H6         A  35  68.670  42.184-107.750
  377   2H6     A  35          2H6         A  35  68.923  42.291-106.026
  378    H2     A  35           H2         A  35  73.322  41.763-105.301
  379   1H5*    U  36          1H5*        U  36  80.446  41.156-110.312
  380   2H5*    U  36          2H5*        U  36  78.924  41.429-111.140
  381    H4*    U  36           H4*        U  36  79.289  43.414-109.982
  382    H3*    U  36           H3*        U  36  80.263  41.652-107.745
  383   1H2*    U  36          1H2*        U  36  79.634  43.231-106.188
  384   2HO*    U  36          2HO*        U  36  79.269  45.418-106.759
  385    H1*    U  36           H1*        U  36  77.440  44.264-107.572
  386    H3     U  36           H3         U  36  76.116  43.019-103.418
  387    H5     U  36           H5         U  36  75.848  39.591-105.844
  388    H6     U  36           H6         U  36  77.132  40.746-107.535
  389   1H5*    C  37          1H5*        C  37  83.935  45.329-107.017
  390   2H5*    C  37          2H5*        C  37  82.438  45.019-107.889
  391    H4*    C  37           H4*        C  37  81.910  46.408-106.024
  392    H3*    C  37           H3*        C  37  83.484  44.389-104.421
  393   1H2*    C  37          1H2*        C  37  82.121  44.798-102.590
  394   2HO*    C  37          2HO*        C  37  80.833  46.706-102.469
  395    H1*    C  37           H1*        C  37  79.802  45.440-104.035
  396   1H4     C  37          1H4         C  37  78.561  40.228-100.721
  397   2H4     C  37          2H4         C  37  78.969  39.267-102.127
  398    H5     C  37           H5         C  37  80.080  40.176-104.066
  399    H6     C  37           H6         C  37  80.826  42.233-105.160
  400   1H5*    G  38          1H5*        G  38  86.108  48.483-101.796
  401   2H5*    G  38          2H5*        G  38  84.666  48.589-102.798
  402    H4*    G  38           H4*        G  38  84.038  49.445-100.675
  403    H3*    G  38           H3*        G  38  85.664  47.144 -99.646
  404   1H2*    G  38          1H2*        G  38  84.271  46.740 -97.858
  405   2HO*    G  38          2HO*        G  38  83.264  49.358 -98.364
  406    H1*    G  38           H1*        G  38  81.867  47.224 -99.059
  407    H8     G  38           H8         G  38  84.132  45.260-101.364
  408    H1     G  38           H1         G  38  81.049  41.656 -97.109
  409   1H2     G  38          1H2         G  38  80.477  44.657 -95.441
  410   2H2     G  38          2H2         G  38  80.264  42.922 -95.470
  411   1H5*    G  39          1H5*        G  39  87.579  49.081 -95.401
  412   2H5*    G  39          2H5*        G  39  86.084  49.469 -96.237
  413    H4*    G  39           H4*        G  39  85.471  48.318 -94.251
  414    H3*    G  39           H3*        G  39  87.627  46.364 -95.044
  415   1H2*    G  39          1H2*        G  39  86.466  44.643 -93.994
  416   2HO*    G  39          2HO*        G  39  85.056  46.745 -92.702
  417    H1*    G  39           H1*        G  39  83.934  45.459 -94.706
  418    H8     G  39           H8         G  39  86.131  45.606 -97.735
  419    H1     G  39           H1         G  39  84.147  39.696 -96.391
  420   1H2     G  39          1H2         G  39  83.400  39.595 -94.308
  421   2H2     G  39          2H2         G  39  83.379  40.990 -93.251
  422   1H5*    A  40          1H5*        A  40  89.919  45.524 -90.395
  423   2H5*    A  40          2H5*        A  40  88.297  46.171 -90.605
  424    H4*    A  40           H4*        A  40  87.849  44.101 -89.666
  425    H3*    A  40           H3*        A  40  90.300  43.222 -91.150
  426   1H2*    A  40          1H2*        A  40  89.505  41.102 -91.494
  427   2HO*    A  40          2HO*        A  40  87.746  40.274 -90.176
  428    H1*    A  40           H1*        A  40  86.774  41.647 -91.504
  429    H8     A  40           H8         A  40  88.574  43.625 -94.153
  430   1H6     A  40          1H6         A  40  87.550  38.780 -97.817
  431   2H6     A  40          2H6         A  40  87.909  40.492 -97.772
  432    H2     A  40           H2         A  40  86.943  37.463 -93.559
  433   1H5*    A  41          1H5*        A  41  90.360  39.728 -86.964
  434   2H5*    A  41          2H5*        A  41  89.026  40.705 -87.643
  435    H4*    A  41           H4*        A  41  88.278  38.421 -87.546
  436    H3*    A  41           H3*        A  41  90.988  37.848 -88.679
  437   1H2*    A  41          1H2*        A  41  90.256  36.212 -90.109
  438   2HO*    A  41          2HO*        A  41  87.844  36.102 -88.587
  439    H1*    A  41           H1*        A  41  87.794  37.227 -90.767
  440    H8     A  41           H8         A  41  90.812  39.579 -90.729
  441   1H6     A  41          1H6         A  41  92.187  39.078 -95.334
  442   2H6     A  41          2H6         A  41  91.682  38.005 -96.619
  443    H2     A  41           H2         A  41  88.426  35.406 -94.941
  444   1H5*    C  42          1H5*        C  42  91.249  33.275 -86.675
  445   2H5*    C  42          2H5*        C  42  89.977  33.874 -87.780
  446    H4*    C  42           H4*        C  42  91.032  31.721 -88.510
  447    H3*    C  42           H3*        C  42  93.451  33.469 -88.421
  448   1H2*    C  42          1H2*        C  42  94.251  32.767 -90.425
  449   2HO*    C  42          2HO*        C  42  93.700  30.738 -91.320
  450    H1*    C  42           H1*        C  42  91.907  32.049 -91.673
  451   1H4     C  42          1H4         C  42  94.121  37.072 -94.842
  452   2H4     C  42          2H4         C  42  94.080  38.064 -93.402
  453    H5     C  42           H5         C  42  93.386  37.240 -91.251
  454    H6     C  42           H6         C  42  92.590  35.281 -90.009
  455   1H5*    C  43          1H5*        C  43  95.805  28.904 -88.643
  456   2H5*    C  43          2H5*        C  43  94.359  29.673 -89.361
  457    H4*    C  43           H4*        C  43  95.861  28.669 -91.070
  458    H3*    C  43           H3*        C  43  97.818  30.470 -89.706
  459   1H2*    C  43          1H2*        C  43  98.772  31.227 -91.636
  460   2HO*    C  43          2HO*        C  43  97.559  29.031 -93.000
  461    H1*    C  43           H1*        C  43  96.549  31.231 -93.286
  462   1H4     C  43          1H4         C  43  97.702  37.234 -91.485
  463   2H4     C  43          2H4         C  43  97.072  36.904 -89.887
  464    H5     C  43           H5         C  43  96.358  34.718 -89.174
  465    H6     C  43           H6         C  43  96.039  32.371 -89.867
  466   1H5*    A  44          1H5*        A  44 101.277  30.333 -88.459
  467   2H5*    A  44          2H5*        A  44 102.340  28.966 -88.914
  468    H4*    A  44           H4*        A  44 103.023  30.180 -90.943
  469    H3*    A  44           H3*        A  44 103.512  31.084 -88.209
  470   1H2*    A  44          1H2*        A  44 103.320  33.276 -88.510
  471   2HO*    A  44          2HO*        A  44 105.521  33.141 -89.210
  472    H1*    A  44           H1*        A  44 102.995  33.294 -91.446
  473    H8     A  44           H8         A  44  99.792  33.135 -89.691
  474   1H6     A  44          1H6         A  44  98.952  37.812 -88.819
  475   2H6     A  44          2H6         A  44  99.954  39.244 -88.914
  476    H2     A  44           H2         A  44 104.024  37.900 -90.266
  477    H3T    A  44           H3T        A  44 105.101  31.059 -90.580
   
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1  63.499  40.152-113.670
    2   2H5*    G   1          2H5*        G   1  64.107  41.568-112.768
    3    H4*    G   1           H4*        G   1  63.938  39.229-111.578
    4    H3*    G   1           H3*        G   1  61.207  39.757-112.248
    5   1H2*    G   1          1H2*        G   1  60.588  40.932-110.450
    6   2HO*    G   1          2HO*        G   1  61.226  38.482-109.102
    7    H1*    G   1           H1*        G   1  62.771  39.979-108.672
    8    H8     G   1           H8         G   1  62.827  43.386-110.106
    9    H1     G   1           H1         G   1  60.034  43.190-104.395
   10   1H2     G   1          1H2         G   1  59.766  39.771-105.001
   11   2H2     G   1          2H2         G   1  59.439  41.109-103.922
   12    H5T    G   1           H5T        G   1  62.212  42.023-113.938
   13   1H5*    G   2          1H5*        G   2  59.075  35.109-110.030
   14   2H5*    G   2          2H5*        G   2  60.769  35.286-109.597
   15    H4*    G   2           H4*        G   2  59.837  34.854-107.528
   16    H3*    G   2           H3*        G   2  57.413  36.227-108.646
   17   1H2*    G   2          1H2*        G   2  56.751  37.038-106.602
   18   2HO*    G   2          2HO*        G   2  57.767  36.160-104.626
   19    H1*    G   2           H1*        G   2  59.222  37.440-105.440
   20    H8     G   2           H8         G   2  59.066  38.933-108.852
   21    H1     G   2           H1         G   2  56.414  42.636-104.413
   22   1H2     G   2          1H2         G   2  56.451  39.770-102.438
   23   2H2     G   2          2H2         G   2  56.038  41.466-102.573
   24   1H5*    G   3          1H5*        G   3  54.190  32.926-105.972
   25   2H5*    G   3          2H5*        G   3  55.899  33.322-105.823
   26    H4*    G   3           H4*        G   3  54.918  34.264-103.896
   27    H3*    G   3           H3*        G   3  52.681  34.911-105.773
   28   1H2*    G   3          1H2*        G   3  52.212  36.934-104.810
   29   2HO*    G   3          2HO*        G   3  53.048  37.381-102.615
   30    H1*    G   3           H1*        G   3  54.724  37.554-103.803
   31    H8     G   3           H8         G   3  54.784  36.937-107.514
   32    H1     G   3           H1         G   3  53.035  42.843-105.887
   33   1H2     G   3          1H2         G   3  52.471  41.470-102.739
   34   2H2     G   3          2H2         G   3  52.420  42.891-103.759
   35   1H5*    A   4          1H5*        A   4  49.379  34.078-101.312
   36   2H5*    A   4          2H5*        A   4  51.132  34.208-101.330
   37    H4*    A   4           H4*        A   4  50.488  35.815 -99.754
   38    H3*    A   4           H3*        A   4  48.149  36.242-101.580
   39   1H2*    A   4          1H2*        A   4  48.015  38.504-101.149
   40   2HO*    A   4          2HO*        A   4  49.223  39.431 -99.362
   41    H1*    A   4           H1*        A   4  50.672  39.087-100.948
   42    H8     A   4           H8         A   4  50.104  36.779-103.840
   43   1H6     A   4          1H6         A   4  49.257  41.840-107.239
   44   2H6     A   4          2H6         A   4  49.624  40.130-107.283
   45    H2     A   4           H2         A   4  49.009  43.005-102.906
   46   1H5*    G   5          1H5*        G   5  44.976  37.774 -97.842
   47   2H5*    G   5          2H5*        G   5  46.726  37.705 -97.996
   48    H4*    G   5           H4*        G   5  46.227  39.997 -98.111
   49    H3*    G   5           H3*        G   5  43.864  39.082 -99.711
   50   1H2*    G   5          1H2*        G   5  43.877  40.943-101.066
   51   2HO*    G   5          2HO*        G   5  45.031  42.872-100.402
   52    H1*    G   5           H1*        G   5  46.630  41.496-100.985
   53    H8     G   5           H8         G   5  46.085  37.981-102.126
   54    H1     G   5           H1         G   5  45.443  42.254-106.809
   55   1H2     G   5          1H2         G   5  45.133  44.287-105.977
   56   2H2     G   5          2H2         G   5  45.096  44.589-104.251
   57   1H5*    C   6          1H5*        C   6  40.558  42.045 -97.574
   58   2H5*    C   6          2H5*        C   6  41.642  42.699 -98.839
   59    H4*    C   6           H4*        C   6  39.236  43.236 -99.233
   60    H3*    C   6           H3*        C   6  39.061  40.257 -99.070
   61   1H2*    C   6          1H2*        C   6  37.699  40.035-100.890
   62   2HO*    C   6          2HO*        C   6  37.073  42.805-100.653
   63    H1*    C   6           H1*        C   6  38.579  42.181-102.412
   64   1H4     C   6          1H4         C   6  41.135  37.141-105.286
   65   2H4     C   6          2H4         C   6  41.963  36.653-103.824
   66    H5     C   6           H5         C   6  41.747  37.826-101.732
   67    H6     C   6           H6         C   6  40.712  39.734-100.593
   68   1H5*    U   7          1H5*        U   7  34.147  40.443 -97.613
   69   2H5*    U   7          2H5*        U   7  35.211  41.319 -98.756
   70    H4*    U   7           H4*        U   7  33.537  40.139-100.031
   71    H3*    U   7           H3*        U   7  34.275  37.885 -98.208
   72   1H2*    U   7          1H2*        U   7  34.207  36.290 -99.853
   73   2HO*    U   7          2HO*        U   7  32.986  36.594-101.768
   74    H1*    U   7           H1*        U   7  34.843  37.912-102.067
   75    H3     U   7           H3         U   7  37.999  34.770-102.479
   76    H5     U   7           H5         U   7  38.893  36.511 -98.748
   77    H6     U   7           H6         U   7  36.896  37.861 -98.964
   78   1H5*    C   8          1H5*        C   8  32.283  34.968 -97.702
   79   2H5*    C   8          2H5*        C   8  30.641  34.720 -97.033
   80    H4*    C   8           H4*        C   8  31.019  33.081 -98.767
   81    H3*    C   8           H3*        C   8  32.491  35.176-100.000
   82   1H2*    C   8          1H2*        C   8  31.020  36.021-101.444
   83   2HO*    C   8          2HO*        C   8  32.026  34.429-102.813
   84    H1*    C   8           H1*        C   8  29.000  33.898-101.446
   85   1H4     C   8          1H4         C   8  25.594  39.140-102.281
   86   2H4     C   8          2H4         C   8  26.566  40.016-101.120
   87    H5     C   8           H5         C   8  28.432  39.012 -99.957
   88    H6     C   8           H6         C   8  29.781  37.018 -99.668
   89   1H5*    A   9          1H5*        A   9  33.285  31.497-103.799
   90   2H5*    A   9          2H5*        A   9  31.626  31.854-103.235
   91    H4*    A   9           H4*        A   9  31.863  31.518-105.726
   92    H3*    A   9           H3*        A   9  33.643  33.888-105.326
   93   1H2*    A   9          1H2*        A   9  32.831  35.016-107.155
   94   2HO*    A   9          2HO*        A   9  33.084  33.202-108.583
   95    H1*    A   9           H1*        A   9  30.203  34.158-107.095
   96    H8     A   9           H8         A   9  30.381  35.290-103.748
   97   1H6     A   9          1H6         A   9  31.210  41.122-105.538
   98   2H6     A   9          2H6         A   9  30.786  40.081-104.198
   99    H2     A   9           H2         A   9  31.983  38.450-109.069
  100   1H5*    A  10          1H5*        A  10  36.690  32.374-109.440
  101   2H5*    A  10          2H5*        A  10  34.949  32.174-109.074
  102    H4*    A  10           H4*        A  10  34.983  33.533-110.997
  103    H3*    A  10           H3*        A  10  37.395  34.774-109.729
  104   1H2*    A  10          1H2*        A  10  36.894  36.891-110.462
  105   2HO*    A  10          2HO*        A  10  36.528  36.192-112.659
  106    H1*    A  10           H1*        A  10  34.151  36.808-110.333
  107    H8     A  10           H8         A  10  35.440  35.484-107.089
  108   1H6     A  10          1H6         A  10  36.833  41.256-105.473
  109   2H6     A  10          2H6         A  10  36.637  39.615-104.900
  110    H2     A  10           H2         A  10  35.906  41.208-109.873
  111   1H5*    C  11          1H5*        C  11  39.572  36.179-114.196
  112   2H5*    C  11          2H5*        C  11  37.838  36.027-113.783
  113    H4*    C  11           H4*        C  11  38.283  38.340-114.289
  114    H3*    C  11           H3*        C  11  40.665  37.895-112.529
  115   1H2*    C  11          1H2*        C  11  40.510  39.940-111.505
  116   2HO*    C  11          2HO*        C  11  39.312  41.669-112.434
  117    H1*    C  11           H1*        C  11  37.776  40.267-111.502
  118   1H4     C  11          1H4         C  11  39.831  37.057-106.078
  119   2H4     C  11          2H4         C  11  39.394  38.673-105.570
  120    H5     C  11           H5         C  11  39.780  36.338-108.372
  121    H6     C  11           H6         C  11  39.311  37.011-110.678
  122   1H5*    U  12          1H5*        U  12  42.789  42.071-115.343
  123   2H5*    U  12          2H5*        U  12  41.059  41.642-115.202
  124    H4*    U  12           H4*        U  12  41.374  43.976-114.613
  125    H3*    U  12           H3*        U  12  43.533  42.850-112.869
  126   1H2*    U  12          1H2*        U  12  43.065  44.260-111.120
  127   2HO*    U  12          2HO*        U  12  41.654  45.918-112.958
  128    H1*    U  12           H1*        U  12  40.310  44.575-111.529
  129    H3     U  12           H3         U  12  39.943  42.706-107.496
  130    H5     U  12           H5         U  12  42.561  40.066-109.483
  131    H6     U  12           H6         U  12  42.423  41.504-111.435
  132   1H5*    C  13          1H5*        C  13  45.857  47.633-113.719
  133   2H5*    C  13          2H5*        C  13  44.272  46.872-113.800
  134    H4*    C  13           H4*        C  13  44.272  48.550-112.050
  135    H3*    C  13           H3*        C  13  46.794  47.140-111.258
  136   1H2*    C  13          1H2*        C  13  46.345  47.335-108.983
  137   2HO*    C  13          2HO*        C  13  44.520  49.328-109.814
  138    H1*    C  13           H1*        C  13  43.727  46.813-109.004
  139   1H4     C  13          1H4         C  13  45.938  40.988-108.017
  140   2H4     C  13          2H4         C  13  46.083  40.761-109.746
  141    H5     C  13           H5         C  13  45.891  42.562-111.331
  142    H6     C  13           H6         C  13  45.363  44.935-111.613
  143   1H5*    U  14          1H5*        U  14  48.876  51.031-108.730
  144   2H5*    U  14          2H5*        U  14  47.176  50.713-109.048
  145    H4*    U  14           H4*        U  14  47.343  50.421-106.745
  146    H3*    U  14           H3*        U  14  50.026  49.198-107.350
  147   1H2*    U  14          1H2*        U  14  49.872  47.793-105.516
  148   2HO*    U  14          2HO*        U  14  47.944  49.665-104.605
  149    H1*    U  14           H1*        U  14  47.147  47.337-105.582
  150    H3     U  14           H3         U  14  49.131  43.298-106.022
  151    H5     U  14           H5         U  14  49.180  44.973-109.884
  152    H6     U  14           H6         U  14  48.568  47.096-108.899
  153   1H5*    C  15          1H5*        C  15  51.320  51.254-102.646
  154   2H5*    C  15          2H5*        C  15  49.938  50.935-103.690
  155    H4*    C  15           H4*        C  15  49.897  49.319-101.926
  156    H3*    C  15           H3*        C  15  52.814  49.020-102.591
  157   1H2*    C  15          1H2*        C  15  52.766  46.761-102.127
  158   2HO*    C  15          2HO*        C  15  50.970  45.832-100.950
  159    H1*    C  15           H1*        C  15  50.192  46.228-102.927
  160   1H4     C  15          1H4         C  15  53.632  43.522-107.450
  161   2H4     C  15          2H4         C  15  53.621  45.030-108.340
  162    H5     C  15           H5         C  15  52.935  47.132-107.364
  163    H6     C  15           H6         C  15  51.859  48.186-105.439
  164   1H5*    C  16          1H5*        C  16  53.924  48.033 -97.538
  165   2H5*    C  16          2H5*        C  16  52.466  48.116 -98.520
  166    H4*    C  16           H4*        C  16  52.835  45.816 -98.097
  167    H3*    C  16           H3*        C  16  55.706  46.462 -98.735
  168   1H2*    C  16          1H2*        C  16  56.020  44.368 -99.636
  169   2HO*    C  16          2HO*        C  16  54.643  42.613 -99.162
  170    H1*    C  16           H1*        C  16  53.485  43.933-100.595
  171   1H4     C  16          1H4         C  16  56.514  46.235-105.863
  172   2H4     C  16          2H4         C  16  56.833  44.514-105.871
  173    H5     C  16           H5         C  16  55.560  47.388-103.980
  174    H6     C  16           H6         C  16  54.660  47.132-101.712
  175   1H5*    C  17          1H5*        C  17  56.840  42.302 -95.836
  176   2H5*    C  17          2H5*        C  17  55.427  43.015 -96.602
  177    H4*    C  17           H4*        C  17  55.856  41.055 -97.833
  178    H3*    C  17           H3*        C  17  58.736  41.883 -97.605
  179   1H2*    C  17          1H2*        C  17  59.252  40.922 -99.640
  180   2HO*    C  17          2HO*        C  17  56.858  39.417 -99.264
  181    H1*    C  17           H1*        C  17  56.764  41.323-100.871
  182   1H4     C  17          1H4         C  17  60.215  46.495-102.856
  183   2H4     C  17          2H4         C  17  60.483  45.261-104.069
  184    H5     C  17           H5         C  17  59.083  46.069-100.765
  185    H6     C  17           H6         C  17  58.059  44.349 -99.360
  186   1H5*    C  18          1H5*        C  18  60.867  37.435 -96.616
  187   2H5*    C  18          2H5*        C  18  59.337  37.926 -97.333
  188    H4*    C  18           H4*        C  18  60.755  37.478 -99.159
  189    H3*    C  18           H3*        C  18  62.844  38.913 -97.536
  190   1H2*    C  18          1H2*        C  18  63.850  39.757 -99.447
  191   2HO*    C  18          2HO*        C  18  62.764  37.433-100.591
  192    H1*    C  18           H1*        C  18  61.555  39.788-101.091
  193   1H4     C  18          1H4         C  18  63.141  45.837-100.731
  194   2H4     C  18          2H4         C  18  62.062  46.018 -99.363
  195    H5     C  18           H5         C  18  61.125  44.141 -98.165
  196    H6     C  18           H6         C  18  60.848  41.696 -98.156
  197   1H5*    C  19          1H5*        C  19  65.926  35.324-100.266
  198   2H5*    C  19          2H5*        C  19  64.296  35.962-100.422
  199    H4*    C  19           H4*        C  19  65.262  36.486-102.482
  200    H3*    C  19           H3*        C  19  67.744  36.947-100.859
  201   1H2*    C  19          1H2*        C  19  68.502  38.607-102.251
  202   2HO*    C  19          2HO*        C  19  66.820  37.394-104.191
  203    H1*    C  19           H1*        C  19  66.043  39.558-103.146
  204   1H4     C  19          1H4         C  19  68.270  44.350 -99.732
  205   2H4     C  19          2H4         C  19  67.585  43.635 -98.286
  206    H5     C  19           H5         C  19  66.718  41.375 -98.209
  207    H6     C  19           H6         C  19  66.163  39.391 -99.542
  208   1H5*    C  20          1H5*        C  20  70.804  34.880-104.837
  209   2H5*    C  20          2H5*        C  20  69.154  35.458-105.029
  210    H4*    C  20           H4*        C  20  70.391  36.729-106.576
  211    H3*    C  20           H3*        C  20  72.469  36.681-104.437
  212   1H2*    C  20          1H2*        C  20  73.249  38.769-104.851
  213   2HO*    C  20          2HO*        C  20  72.572  39.855-106.891
  214    H1*    C  20           H1*        C  20  70.935  39.984-105.648
  215   1H4     C  20          1H4         C  20  71.598  42.225 -99.825
  216   2H4     C  20          2H4         C  20  70.789  40.804 -99.198
  217    H5     C  20           H5         C  20  70.363  38.840-100.536
  218    H6     C  20           H6         C  20  70.402  37.909-102.809
  219   1H5*    C  21          1H5*        C  21  75.990  36.582-107.499
  220   2H5*    C  21          2H5*        C  21  74.823  37.740-106.797
  221    H4*    C  21           H4*        C  21  77.159  38.570-106.735
  222    H3*    C  21           H3*        C  21  77.530  35.988-105.272
  223   1H2*    C  21          1H2*        C  21  78.880  36.902-103.661
  224   2HO*    C  21          2HO*        C  21  80.320  37.824-105.206
  225    H1*    C  21           H1*        C  21  77.871  39.538-103.709
  226   1H4     C  21          1H4         C  21  76.679  36.588 -98.132
  227   2H4     C  21          2H4         C  21  74.988  36.766 -98.543
  228    H5     C  21           H5         C  21  74.231  37.504-100.696
  229    H6     C  21           H6         C  21  74.901  38.265-102.930
  230   1H5*    U  22          1H5*        U  22  82.450  36.484-107.574
  231   2H5*    U  22          2H5*        U  22  82.568  38.130-106.880
  232    H4*    U  22           H4*        U  22  83.772  37.219-104.935
  233    H3*    U  22           H3*        U  22  84.765  37.465-107.564
  234   1H2*    U  22          1H2*        U  22  85.149  35.283-108.057
  235   2HO*    U  22          2HO*        U  22  87.171  34.552-107.231
  236    H1*    U  22           H1*        U  22  85.529  34.370-105.251
  237    H3     U  22           H3         U  22  85.839  30.961-108.535
  238    H5     U  22           H5         U  22  81.871  31.227-107.140
  239    H6     U  22           H6         U  22  82.454  33.324-106.072
  240   1H5*    U  23          1H5*        U  23  88.239  35.831-106.785
  241   2H5*    U  23          2H5*        U  23  89.550  36.826-107.488
  242    H4*    U  23           H4*        U  23  90.379  34.908-106.107
  243    H3*    U  23           H3*        U  23  88.687  36.293-104.084
  244   1H2*    U  23          1H2*        U  23  90.230  36.199-102.413
  245   2HO*    U  23          2HO*        U  23  91.513  34.089-103.826
  246    H1*    U  23           H1*        U  23  92.561  36.179-103.899
  247    H3     U  23           H3         U  23  93.265  39.818-101.370
  248    H5     U  23           H5         U  23  89.764  40.793-103.505
  249    H6     U  23           H6         U  23  89.806  38.561-104.462
  250   1H5*    U  24          1H5*        U  24  87.733  31.018-102.969
  251   2H5*    U  24          2H5*        U  24  89.188  31.986-103.353
  252    H4*    U  24           H4*        U  24  89.442  30.400-101.403
  253    H3*    U  24           H3*        U  24  87.249  32.176-100.420
  254   1H2*    U  24          1H2*        U  24  88.095  32.312 -98.285
  255   2HO*    U  24          2HO*        U  24  89.752  30.914 -97.551
  256    H1*    U  24           H1*        U  24  90.728  32.531 -98.914
  257    H3     U  24           H3         U  24  88.806  36.332 -97.111
  258    H5     U  24           H5         U  24  88.195  36.594-101.268
  259    H6     U  24           H6         U  24  89.116  34.342-101.482
  260   1H5*    U  25          1H5*        U  25  84.018  28.876 -98.079
  261   2H5*    U  25          2H5*        U  25  85.749  28.598 -98.179
  262    H4*    U  25           H4*        U  25  85.316  28.903 -95.891
  263    H3*    U  25           H3*        U  25  83.579  31.182 -96.776
  264   1H2*    U  25          1H2*        U  25  83.925  32.240 -94.726
  265   2HO*    U  25          2HO*        U  25  84.838  31.140 -92.952
  266    H1*    U  25           H1*        U  25  86.528  31.510 -94.443
  267    H3     U  25           H3         U  25  86.261  36.046 -94.541
  268    H5     U  25           H5         U  25  86.563  34.828 -98.559
  269    H6     U  25           H6         U  25  86.161  32.547 -97.832
  270   1H5*    C  26          1H5*        C  26  79.256  30.350 -93.116
  271   2H5*    C  26          2H5*        C  26  80.566  29.938 -92.058
  272    H4*    C  26           H4*        C  26  80.666  32.151 -91.804
  273    H3*    C  26           H3*        C  26  79.560  32.485 -94.589
  274   1H2*    C  26          1H2*        C  26  80.066  34.771 -94.299
  275   2HO*    C  26          2HO*        C  26  80.546  34.225 -91.538
  276    H1*    C  26           H1*        C  26  82.364  34.309 -92.748
  277   1H4     C  26          1H4         C  26  84.645  36.659 -98.136
  278   2H4     C  26          2H4         C  26  84.374  35.131 -98.952
  279    H5     C  26           H5         C  26  83.127  33.300 -97.958
  280    H6     C  26           H6         C  26  82.014  32.507 -95.921
  281   1H5*    C  27          1H5*        C  27  76.252  36.179 -92.962
  282   2H5*    C  27          2H5*        C  27  76.082  36.112 -91.191
  283    H4*    C  27           H4*        C  27  77.813  37.626 -90.857
  284    H3*    C  27           H3*        C  27  76.340  38.245 -93.402
  285   1H2*    C  27          1H2*        C  27  77.775  39.921 -94.001
  286   2HO*    C  27          2HO*        C  27  78.065  40.166 -91.243
  287    H1*    C  27           H1*        C  27  80.105  38.915 -92.792
  288   1H4     C  27          1H4         C  27  81.300  38.406 -98.943
  289   2H4     C  27          2H4         C  27  80.685  36.767 -98.899
  290    H5     C  27           H5         C  27  79.401  35.890 -97.044
  291    H6     C  27           H6         C  27  78.675  36.309 -94.738
  292   1H5*    G  28          1H5*        G  28  74.508  42.962 -91.676
  293   2H5*    G  28          2H5*        G  28  75.869  42.062 -91.021
  294    H4*    G  28           H4*        G  28  76.831  44.058 -91.778
  295    H3*    G  28           H3*        G  28  74.865  43.795 -94.028
  296   1H2*    G  28          1H2*        G  28  76.290  44.731 -95.578
  297   2HO*    G  28          2HO*        G  28  77.718  45.758 -93.333
  298    H1*    G  28           H1*        G  28  78.696  43.806 -94.593
  299    H8     G  28           H8         G  28  76.160  41.022 -94.866
  300    H1     G  28           H1         G  28  79.192  42.268-100.329
  301   1H2     G  28          1H2         G  28  80.142  45.234 -98.771
  302   2H2     G  28          2H2         G  28  80.203  44.236-100.207
  303   1H5*    A  29          1H5*        A  29  74.993  49.044 -94.394
  304   2H5*    A  29          2H5*        A  29  76.032  47.809 -93.700
  305    H4*    A  29           H4*        A  29  77.293  48.794 -95.441
  306    H3*    A  29           H3*        A  29  74.741  48.569 -97.034
  307   1H2*    A  29          1H2*        A  29  75.986  48.418 -99.001
  308   2HO*    A  29          2HO*        A  29  78.310  48.853 -98.916
  309    H1*    A  29           H1*        A  29  78.091  46.954 -97.931
  310    H8     A  29           H8         A  29  74.849  45.303 -97.015
  311   1H6     A  29          1H6         A  29  75.270  42.346-102.416
  312   2H6     A  29          2H6         A  29  74.522  42.340-100.833
  313    H2     A  29           H2         A  29  78.120  45.822-102.489
  314   1H5*    G  30          1H5*        G  30  74.488  52.374-100.002
  315   2H5*    G  30          2H5*        G  30  75.954  51.676 -99.331
  316    H4*    G  30           H4*        G  30  75.900  51.034-101.614
  317    H3*    G  30           H3*        G  30  73.004  50.433-101.059
  318   1H2*    G  30          1H2*        G  30  73.005  48.704-102.618
  319   2HO*    G  30          2HO*        G  30  75.446  49.860-103.525
  320    H1*    G  30           H1*        G  30  75.466  47.679-102.060
  321    H8     G  30           H8         G  30  73.612  48.511 -98.846
  322    H1     G  30           H1         G  30  72.051  42.908-101.423
  323   1H2     G  30          1H2         G  30  73.558  44.175-104.292
  324   2H2     G  30          2H2         G  30  72.710  42.844-103.536
  325   1H5*    G  31          1H5*        G  31  71.804  52.263-105.954
  326   2H5*    G  31          2H5*        G  31  73.260  51.745-105.113
  327    H4*    G  31           H4*        G  31  72.788  50.091-106.766
  328    H3*    G  31           H3*        G  31  69.983  50.394-105.754
  329   1H2*    G  31          1H2*        G  31  69.504  48.139-106.048
  330   2HO*    G  31          2HO*        G  31  71.036  46.804-107.280
  331    H1*    G  31           H1*        G  31  71.964  47.102-105.359
  332    H8     G  31           H8         G  31  70.896  49.721-102.857
  333    H1     G  31           H1         G  31  68.453  43.959-101.658
  334   1H2     G  31          1H2         G  31  69.290  43.218-104.936
  335   2H2     G  31          2H2         G  31  68.575  42.683-103.436
  336   1H5*    G  32          1H5*        G  32  69.109  47.855-109.957
  337   2H5*    G  32          2H5*        G  32  70.242  48.292-108.681
  338    H4*    G  32           H4*        G  32  69.783  46.037-108.282
  339    H3*    G  32           H3*        G  32  66.934  46.735-108.955
  340   1H2*    G  32          1H2*        G  32  66.135  45.138-107.466
  341   2HO*    G  32          2HO*        G  32  67.498  43.395-106.787
  342    H1*    G  32           H1*        G  32  68.347  45.143-105.707
  343    H8     G  32           H8         G  32  66.800  48.535-105.716
  344    H1     G  32           H1         G  32  63.800  44.329-101.990
  345   1H2     G  32          1H2         G  32  65.463  41.939-103.905
  346   2H2     G  32          2H2         G  32  64.348  42.265-102.598
  347   1H5*    U  33          1H5*        U  33  68.609  44.252-113.122
  348   2H5*    U  33          2H5*        U  33  67.357  43.011-112.814
  349    H4*    U  33           H4*        U  33  67.336  43.569-115.166
  350    H3*    U  33           H3*        U  33  68.059  46.143-114.332
  351   1H2*    U  33          1H2*        U  33  66.020  47.031-113.896
  352   2HO*    U  33          2HO*        U  33  65.839  46.877-116.744
  353    H1*    U  33           H1*        U  33  64.495  45.349-115.828
  354    H3     U  33           H3         U  33  61.011  47.470-113.889
  355    H5     U  33           H5         U  33  62.947  45.554-110.671
  356    H6     U  33           H6         U  33  64.717  44.914-112.203
  357   1H5*    C  34          1H5*        C  34  70.293  43.827-116.755
  358   2H5*    C  34          2H5*        C  34  71.188  45.030-117.733
  359    H4*    C  34           H4*        C  34  72.821  43.677-116.598
  360    H3*    C  34           H3*        C  34  70.987  44.057-114.261
  361   1H2*    C  34          1H2*        C  34  72.655  44.361-112.743
  362   2HO*    C  34          2HO*        C  34  74.822  43.704-113.162
  363    H1*    C  34           H1*        C  34  74.505  45.692-114.274
  364   1H4     C  34          1H4         C  34  69.835  49.055-110.945
  365   2H4     C  34          2H4         C  34  71.376  49.521-110.260
  366    H5     C  34           H5         C  34  69.638  47.565-112.873
  367    H6     C  34           H6         C  34  70.845  46.100-114.372
  368   1H5*    A  35          1H5*        A  35  74.062  39.723-113.453
  369   2H5*    A  35          2H5*        A  35  73.658  41.250-114.288
  370    H4*    A  35           H4*        A  35  75.464  41.918-113.063
  371    H3*    A  35           H3*        A  35  75.082  39.574-111.557
  372   1H2*    A  35          1H2*        A  35  73.972  40.398-109.773
  373   2HO*    A  35          2HO*        A  35  75.396  41.352-108.225
  374    H1*    A  35           H1*        A  35  74.969  43.189-109.985
  375    H8     A  35           H8         A  35  71.637  42.770-111.224
  376   1H6     A  35          1H6         A  35  69.059  43.738-107.272
  377   2H6     A  35          2H6         A  35  69.433  43.708-105.568
  378    H2     A  35           H2         A  35  73.768  42.567-105.196
  379   1H5*    U  36          1H5*        U  36  80.433  41.298-110.717
  380   2H5*    U  36          2H5*        U  36  78.938  41.877-111.429
  381    H4*    U  36           H4*        U  36  79.682  43.676-110.154
  382    H3*    U  36           H3*        U  36  80.447  41.607-108.106
  383   1H2*    U  36          1H2*        U  36  80.167  43.142-106.410
  384   2HO*    U  36          2HO*        U  36  80.118  45.406-106.824
  385    H1*    U  36           H1*        U  36  78.105  44.617-107.582
  386    H3     U  36           H3         U  36  76.783  43.255-103.467
  387    H5     U  36           H5         U  36  75.883  40.119-106.129
  388    H6     U  36           H6         U  36  77.254  41.201-107.790
  389   1H5*    C  37          1H5*        C  37  84.799  44.445-107.357
  390   2H5*    C  37          2H5*        C  37  83.220  44.537-108.127
  391    H4*    C  37           H4*        C  37  83.127  45.838-106.129
  392    H3*    C  37           H3*        C  37  84.305  43.391-104.805
  393   1H2*    C  37          1H2*        C  37  83.174  43.922-102.856
  394   2HO*    C  37          2HO*        C  37  83.120  46.554-103.922
  395    H1*    C  37           H1*        C  37  80.983  45.193-104.067
  396   1H4     C  37          1H4         C  37  78.772  40.150-101.007
  397   2H4     C  37          2H4         C  37  78.908  39.217-102.481
  398    H5     C  37           H5         C  37  80.088  40.001-104.437
  399    H6     C  37           H6         C  37  81.215  41.919-105.458
  400   1H5*    G  38          1H5*        G  38  87.601  46.518-101.748
  401   2H5*    G  38          2H5*        G  38  86.224  47.041-102.710
  402    H4*    G  38           H4*        G  38  85.620  47.673-100.545
  403    H3*    G  38           H3*        G  38  87.048  45.161 -99.742
  404   1H2*    G  38          1H2*        G  38  85.643  44.730 -97.978
  405   2HO*    G  38          2HO*        G  38  84.982  47.492 -98.158
  406    H1*    G  38           H1*        G  38  83.292  45.726 -99.027
  407    H8     G  38           H8         G  38  85.044  43.424-101.464
  408    H1     G  38           H1         G  38  81.479  40.384 -97.146
  409   1H2     G  38          1H2         G  38  81.587  43.392 -95.398
  410   2H2     G  38          2H2         G  38  81.031  41.735 -95.447
  411   1H5*    G  39          1H5*        G  39  88.295  46.705 -95.139
  412   2H5*    G  39          2H5*        G  39  87.166  47.224 -96.384
  413    H4*    G  39           H4*        G  39  85.779  46.030 -94.970
  414    H3*    G  39           H3*        G  39  88.206  44.370 -94.419
  415   1H2*    G  39          1H2*        G  39  86.961  42.385 -94.267
  416   2HO*    G  39          2HO*        G  39  85.321  44.123 -92.971
  417    H1*    G  39           H1*        G  39  84.613  43.263 -95.558
  418    H8     G  39           H8         G  39  87.226  42.909 -98.162
  419    H1     G  39           H1         G  39  84.378  37.450 -96.493
  420   1H2     G  39          1H2         G  39  83.437  37.679 -94.499
  421   2H2     G  39          2H2         G  39  83.507  39.175 -93.596
  422   1H5*    A  40          1H5*        A  40  88.923  44.112 -89.776
  423   2H5*    A  40          2H5*        A  40  87.898  44.977 -88.631
  424    H4*    A  40           H4*        A  40  87.113  42.998 -87.872
  425    H3*    A  40           H3*        A  40  88.878  41.905 -90.092
  426   1H2*    A  40          1H2*        A  40  87.981  39.753 -89.699
  427   2HO*    A  40          2HO*        A  40  86.709  41.006 -87.474
  428    H1*    A  40           H1*        A  40  85.462  40.552 -89.920
  429    H8     A  40           H8         A  40  87.594  42.816 -92.023
  430   1H6     A  40          1H6         A  40  87.414  38.366 -96.323
  431   2H6     A  40          2H6         A  40  87.705  40.071 -96.044
  432    H2     A  40           H2         A  40  86.011  36.612 -92.442
  433   1H5*    A  41          1H5*        A  41  89.790  38.526 -86.604
  434   2H5*    A  41          2H5*        A  41  88.302  39.225 -87.311
  435    H4*    A  41           H4*        A  41  88.173  36.764 -87.181
  436    H3*    A  41           H3*        A  41  90.768  37.011 -88.637
  437   1H2*    A  41          1H2*        A  41  90.310  35.335 -90.132
  438   2HO*    A  41          2HO*        A  41  88.301  34.436 -88.321
  439    H1*    A  41           H1*        A  41  87.577  35.610 -90.319
  440    H8     A  41           H8         A  41  89.613  38.796 -90.747
  441   1H6     A  41          1H6         A  41  90.472  38.557 -95.482
  442   2H6     A  41          2H6         A  41  90.223  37.308 -96.680
  443    H2     A  41           H2         A  41  88.357  33.822 -94.554
  444   1H5*    C  42          1H5*        C  42  92.462  32.608 -87.183
  445   2H5*    C  42          2H5*        C  42  90.969  32.960 -88.100
  446    H4*    C  42           H4*        C  42  92.494  31.250 -89.154
  447    H3*    C  42           H3*        C  42  94.302  33.629 -89.117
  448   1H2*    C  42          1H2*        C  42  95.001  33.344 -91.256
  449   2HO*    C  42          2HO*        C  42  94.186  30.634 -91.072
  450    H1*    C  42           H1*        C  42  92.813  32.059 -92.323
  451   1H4     C  42          1H4         C  42  93.002  37.697 -95.194
  452   2H4     C  42          2H4         C  42  92.876  38.542 -93.668
  453    H5     C  42           H5         C  42  92.768  37.419 -91.545
  454    H6     C  42           H6         C  42  92.771  35.244 -90.416
  455   1H5*    C  43          1H5*        C  43  97.632  29.888 -89.988
  456   2H5*    C  43          2H5*        C  43  96.023  30.402 -90.577
  457    H4*    C  43           H4*        C  43  97.669  29.835 -92.394
  458    H3*    C  43           H3*        C  43  99.123  32.046 -91.009
  459   1H2*    C  43          1H2*        C  43  99.754  33.099 -92.933
  460   2HO*    C  43          2HO*        C  43 100.566  31.144 -93.913
  461    H1*    C  43           H1*        C  43  97.539  32.553 -94.498
  462   1H4     C  43          1H4         C  43  97.205  38.603 -92.532
  463   2H4     C  43          2H4         C  43  96.754  38.086 -90.923
  464    H5     C  43           H5         C  43  96.653  35.776 -90.257
  465    H6     C  43           H6         C  43  96.896  33.439 -91.018
  466   1H5*    A  44          1H5*        A  44  99.723  31.319 -87.377
  467   2H5*    A  44          2H5*        A  44 101.337  30.797 -87.947
  468    H4*    A  44           H4*        A  44 101.236  33.220 -87.430
  469    H3*    A  44           H3*        A  44  98.841  33.043 -89.094
  470   1H2*    A  44          1H2*        A  44  99.581  34.142 -90.890
  471   2HO*    A  44          2HO*        A  44 100.209  36.320 -90.629
  472    H1*    A  44           H1*        A  44 102.207  34.969 -89.820
  473    H8     A  44           H8         A  44 101.875  31.751 -91.722
  474   1H6     A  44          1H6         A  44 103.096  33.303 -96.132
  475   2H6     A  44          2H6         A  44 103.340  34.895 -96.812
  476    H2     A  44           H2         A  44 102.608  37.851 -93.504
  477    H3T    A  44           H3T        A  44  98.960  34.020 -87.023
   
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1  63.967  38.333-111.206
    2   2H5*    G   1          2H5*        G   1  64.290  39.324-109.764
    3    H4*    G   1           H4*        G   1  64.688  36.640-109.891
    4    H3*    G   1           H3*        G   1  61.818  37.113-109.272
    5   1H2*    G   1          1H2*        G   1  61.780  35.854-107.300
    6   2HO*    G   1          2HO*        G   1  63.343  34.362-106.804
    7    H1*    G   1           H1*        G   1  64.095  36.604-106.243
    8    H8     G   1           H8         G   1  63.024  39.670-108.030
    9    H1     G   1           H1         G   1  60.489  39.191-102.211
   10   1H2     G   1          1H2         G   1  61.325  35.828-102.405
   11   2H2     G   1          2H2         G   1  60.605  37.125-101.469
   12    H5T    G   1           H5T        G   1  62.232  39.726-110.596
   13   1H5*    G   2          1H5*        G   2  59.419  33.222-109.738
   14   2H5*    G   2          2H5*        G   2  61.046  33.547-109.157
   15    H4*    G   2           H4*        G   2  59.725  33.310-107.220
   16    H3*    G   2           H3*        G   2  57.731  35.045-108.671
   17   1H2*    G   2          1H2*        G   2  57.012  35.922-106.657
   18   2HO*    G   2          2HO*        G   2  57.645  34.818-104.639
   19    H1*    G   2           H1*        G   2  59.430  35.716-105.276
   20    H8     G   2           H8         G   2  59.805  37.809-108.361
   21    H1     G   2           H1         G   2  57.094  40.926-103.519
   22   1H2     G   2          1H2         G   2  56.570  37.751-102.183
   23   2H2     G   2          2H2         G   2  56.367  39.479-102.002
   24   1H5*    G   3          1H5*        G   3  53.780  31.890-106.722
   25   2H5*    G   3          2H5*        G   3  55.495  32.091-106.380
   26    H4*    G   3           H4*        G   3  54.369  32.901-104.459
   27    H3*    G   3           H3*        G   3  52.510  34.087-106.477
   28   1H2*    G   3          1H2*        G   3  52.182  36.022-105.284
   29   2HO*    G   3          2HO*        G   3  52.925  34.459-103.033
   30    H1*    G   3           H1*        G   3  54.596  36.103-103.897
   31    H8     G   3           H8         G   3  55.104  36.066-107.622
   32    H1     G   3           H1         G   3  53.865  41.831-105.208
   33   1H2     G   3          1H2         G   3  52.729  40.066-102.430
   34   2H2     G   3          2H2         G   3  52.983  41.624-103.184
   35   1H5*    A   4          1H5*        A   4  48.617  32.983-102.561
   36   2H5*    A   4          2H5*        A   4  50.368  32.925-102.415
   37    H4*    A   4           H4*        A   4  49.682  34.298-100.629
   38    H3*    A   4           H3*        A   4  47.671  35.330-102.600
   39   1H2*    A   4          1H2*        A   4  47.745  37.489-101.806
   40   2HO*    A   4          2HO*        A   4  48.860  36.310 -99.472
   41    H1*    A   4           H1*        A   4  50.398  37.665-101.191
   42    H8     A   4           H8         A   4  49.966  35.961-104.498
   43   1H6     A   4          1H6         A   4  50.172  41.577-107.006
   44   2H6     A   4          2H6         A   4  50.330  39.863-107.316
   45    H2     A   4           H2         A   4  49.508  42.042-102.585
   46   1H5*    G   5          1H5*        G   5  44.297  36.758 -99.013
   47   2H5*    G   5          2H5*        G   5  46.025  36.433 -98.990
   48    H4*    G   5           H4*        G   5  45.903  38.760 -98.777
   49    H3*    G   5           H3*        G   5  43.601  38.507-100.674
   50   1H2*    G   5          1H2*        G   5  44.031  40.525-101.698
   51   2HO*    G   5          2HO*        G   5  45.338  42.134-100.640
   52    H1*    G   5           H1*        G   5  46.813  40.612-101.297
   53    H8     G   5           H8         G   5  45.913  37.464-103.086
   54    H1     G   5           H1         G   5  46.399  42.495-106.970
   55   1H2     G   5          1H2         G   5  46.266  44.384-105.821
   56   2H2     G   5          2H2         G   5  46.070  44.403-104.079
   57   1H5*    C   6          1H5*        C   6  40.703  41.456 -97.815
   58   2H5*    C   6          2H5*        C   6  41.979  42.057 -98.917
   59    H4*    C   6           H4*        C   6  39.880  43.325 -99.193
   60    H3*    C   6           H3*        C   6  38.783  40.561 -99.511
   61   1H2*    C   6          1H2*        C   6  37.457  41.070-101.299
   62   2HO*    C   6          2HO*        C   6  36.505  42.911-100.240
   63    H1*    C   6           H1*        C   6  39.008  43.027-102.504
   64   1H4     C   6          1H4         C   6  39.686  37.768-106.011
   65   2H4     C   6          2H4         C   6  40.695  37.039-104.782
   66    H5     C   6           H5         C   6  41.147  38.079-102.658
   67    H6     C   6           H6         C   6  40.718  40.039-101.247
   68   1H5*    U   7          1H5*        U   7  34.113  41.421 -98.122
   69   2H5*    U   7          2H5*        U   7  35.344  42.279 -99.097
   70    H4*    U   7           H4*        U   7  33.651  41.462-100.601
   71    H3*    U   7           H3*        U   7  33.942  38.966 -98.980
   72   1H2*    U   7          1H2*        U   7  33.812  37.555-100.776
   73   2HO*    U   7          2HO*        U   7  32.586  39.676-102.230
   74    H1*    U   7           H1*        U   7  34.831  39.263-102.770
   75    H3     U   7           H3         U   7  37.574  35.751-103.213
   76    H5     U   7           H5         U   7  38.420  37.134 -99.325
   77    H6     U   7           H6         U   7  36.614  38.730 -99.564
   78   1H5*    C   8          1H5*        C   8  31.344  36.310 -98.769
   79   2H5*    C   8          2H5*        C   8  29.584  36.333 -98.445
   80    H4*    C   8           H4*        C   8  30.109  34.757-100.239
   81    H3*    C   8           H3*        C   8  31.859  36.896-101.089
   82   1H2*    C   8          1H2*        C   8  30.771  37.671-102.859
   83   2HO*    C   8          2HO*        C   8  30.610  34.945-103.686
   84    H1*    C   8           H1*        C   8  28.584  35.746-103.038
   85   1H4     C   8          1H4         C   8  25.861  41.259-104.478
   86   2H4     C   8          2H4         C   8  26.751  42.078-103.214
   87    H5     C   8           H5         C   8  28.335  40.945-101.783
   88    H6     C   8           H6         C   8  29.420  38.839-101.260
   89   1H5*    A   9          1H5*        A   9  33.595  33.456-104.762
   90   2H5*    A   9          2H5*        A   9  31.819  33.652-104.687
   91    H4*    A   9           H4*        A   9  32.781  33.635-107.015
   92    H3*    A   9           H3*        A   9  34.187  36.017-105.875
   93   1H2*    A   9          1H2*        A   9  33.855  37.304-107.736
   94   2HO*    A   9          2HO*        A   9  34.701  35.703-109.184
   95    H1*    A   9           H1*        A   9  31.426  36.243-108.596
   96    H8     A   9           H8         A   9  30.510  37.180-105.287
   97   1H6     A   9          1H6         A   9  31.268  43.154-106.585
   98   2H6     A   9          2H6         A   9  30.583  42.009-105.452
   99    H2     A   9           H2         A   9  33.240  40.755-109.838
  100   1H5*    A  10          1H5*        A  10  38.318  34.482-109.260
  101   2H5*    A  10          2H5*        A  10  36.562  34.137-109.257
  102    H4*    A  10           H4*        A  10  36.913  35.108-111.360
  103    H3*    A  10           H3*        A  10  38.936  36.794-109.938
  104   1H2*    A  10          1H2*        A  10  38.496  38.671-111.183
  105   2HO*    A  10          2HO*        A  10  37.396  38.559-113.196
  106    H1*    A  10           H1*        A  10  35.795  38.377-111.568
  107    H8     A  10           H8         A  10  36.438  37.780-107.943
  108   1H6     A  10          1H6         A  10  37.146  43.854-107.231
  109   2H6     A  10          2H6         A  10  36.913  42.331-106.403
  110    H2     A  10           H2         A  10  37.189  42.940-111.630
  111   1H5*    C  11          1H5*        C  11  41.873  37.589-114.037
  112   2H5*    C  11          2H5*        C  11  40.098  37.400-113.916
  113    H4*    C  11           H4*        C  11  40.587  39.631-114.716
  114    H3*    C  11           H3*        C  11  42.551  39.608-112.455
  115   1H2*    C  11          1H2*        C  11  42.120  41.772-111.836
  116   2HO*    C  11          2HO*        C  11  41.144  43.271-113.270
  117    H1*    C  11           H1*        C  11  39.456  41.938-112.506
  118   1H4     C  11          1H4         C  11  40.314  39.969-106.235
  119   2H4     C  11          2H4         C  11  39.709  41.608-106.171
  120    H5     C  11           H5         C  11  40.809  38.823-108.293
  121    H6     C  11           H6         C  11  40.858  39.008-110.736
  122   1H5*    U  12          1H5*        U  12  44.858  43.546-115.257
  123   2H5*    U  12          2H5*        U  12  43.099  43.224-115.230
  124    H4*    U  12           H4*        U  12  43.566  45.595-114.794
  125    H3*    U  12           H3*        U  12  45.377  44.414-112.724
  126   1H2*    U  12          1H2*        U  12  44.822  45.950-111.115
  127   2HO*    U  12          2HO*        U  12  43.916  47.979-111.637
  128    H1*    U  12           H1*        U  12  42.172  46.451-111.869
  129    H3     U  12           H3         U  12  41.158  44.739-107.875
  130    H5     U  12           H5         U  12  43.776  41.845-109.469
  131    H6     U  12           H6         U  12  44.007  43.241-111.443
  132   1H5*    C  13          1H5*        C  13  48.322  48.692-112.771
  133   2H5*    C  13          2H5*        C  13  46.652  48.273-113.140
  134    H4*    C  13           H4*        C  13  46.675  49.624-111.142
  135    H3*    C  13           H3*        C  13  48.876  47.744-110.365
  136   1H2*    C  13          1H2*        C  13  48.206  47.651-108.143
  137   2HO*    C  13          2HO*        C  13  46.783  50.006-108.786
  138    H1*    C  13           H1*        C  13  45.563  47.526-108.480
  139   1H4     C  13          1H4         C  13  46.866  41.354-108.394
  140   2H4     C  13          2H4         C  13  47.184  41.406-110.114
  141    H5     C  13           H5         C  13  47.416  43.460-111.348
  142    H6     C  13           H6         C  13  47.241  45.899-111.233
  143   1H5*    U  14          1H5*        U  14  51.123  50.794-106.964
  144   2H5*    U  14          2H5*        U  14  49.450  50.829-107.507
  145    H4*    U  14           H4*        U  14  49.236  50.120-105.310
  146    H3*    U  14           H3*        U  14  51.826  48.661-105.789
  147   1H2*    U  14          1H2*        U  14  51.254  47.010-104.269
  148   2HO*    U  14          2HO*        U  14  49.470  47.332-102.794
  149    H1*    U  14           H1*        U  14  48.529  46.952-104.737
  150    H3     U  14           H3         U  14  50.078  42.796-105.614
  151    H5     U  14           H5         U  14  50.819  45.015-109.116
  152    H6     U  14           H6         U  14  50.340  47.027-107.861
  153   1H5*    C  15          1H5*        C  15  52.721  49.726-100.677
  154   2H5*    C  15          2H5*        C  15  51.454  49.790-101.898
  155    H4*    C  15           H4*        C  15  50.994  47.906-100.502
  156    H3*    C  15           H3*        C  15  53.926  47.343-100.866
  157   1H2*    C  15          1H2*        C  15  53.574  45.065-100.875
  158   2HO*    C  15          2HO*        C  15  51.553  44.174-100.107
  159    H1*    C  15           H1*        C  15  51.076  45.035-102.034
  160   1H4     C  15          1H4         C  15  54.731  42.678-106.575
  161   2H4     C  15          2H4         C  15  55.005  44.299-107.178
  162    H5     C  15           H5         C  15  54.430  46.288-105.926
  163    H6     C  15           H6         C  15  53.263  47.143-103.953
  164   1H5*    C  16          1H5*        C  16  54.322  45.229 -96.123
  165   2H5*    C  16          2H5*        C  16  52.998  45.585 -97.225
  166    H4*    C  16           H4*        C  16  53.261  43.214 -97.192
  167    H3*    C  16           H3*        C  16  56.180  43.862 -97.516
  168   1H2*    C  16          1H2*        C  16  56.518  41.992 -98.806
  169   2HO*    C  16          2HO*        C  16  54.131  40.996 -97.629
  170    H1*    C  16           H1*        C  16  54.025  41.821 -99.951
  171   1H4     C  16          1H4         C  16  57.764  44.890-104.350
  172   2H4     C  16          2H4         C  16  57.923  43.181-104.704
  173    H5     C  16           H5         C  16  56.681  45.732-102.355
  174    H6     C  16           H6         C  16  55.471  45.099-100.309
  175   1H5*    C  17          1H5*        C  17  57.860  40.098 -93.960
  176   2H5*    C  17          2H5*        C  17  56.252  40.121 -94.670
  177    H4*    C  17           H4*        C  17  57.125  38.032 -95.295
  178    H3*    C  17           H3*        C  17  59.685  39.550 -95.623
  179   1H2*    C  17          1H2*        C  17  60.404  38.266 -97.391
  180   2HO*    C  17          2HO*        C  17  59.294  36.215 -97.853
  181    H1*    C  17           H1*        C  17  57.941  37.709 -98.545
  182   1H4     C  17          1H4         C  17  59.705  43.281-101.467
  183   2H4     C  17          2H4         C  17  60.372  42.010-102.466
  184    H5     C  17           H5         C  17  58.791  42.892 -99.275
  185    H6     C  17           H6         C  17  58.150  41.183 -97.643
  186   1H5*    C  18          1H5*        C  18  62.929  36.062 -94.360
  187   2H5*    C  18          2H5*        C  18  61.255  36.101 -94.905
  188    H4*    C  18           H4*        C  18  62.542  35.734 -96.849
  189    H3*    C  18           H3*        C  18  64.364  37.828 -95.688
  190   1H2*    C  18          1H2*        C  18  64.913  38.638 -97.785
  191   2HO*    C  18          2HO*        C  18  64.257  36.015 -98.592
  192    H1*    C  18           H1*        C  18  62.518  37.953 -99.100
  193   1H4     C  18          1H4         C  18  62.513  44.226 -99.296
  194   2H4     C  18          2H4         C  18  61.629  44.256 -97.785
  195    H5     C  18           H5         C  18  61.378  42.319 -96.369
  196    H6     C  18           H6         C  18  61.738  39.893 -96.197
  197   1H5*    C  19          1H5*        C  19  67.930  34.461 -98.162
  198   2H5*    C  19          2H5*        C  19  66.207  34.809 -98.155
  199    H4*    C  19           H4*        C  19  66.900  35.116-100.396
  200    H3*    C  19           H3*        C  19  69.273  36.453 -99.137
  201   1H2*    C  19          1H2*        C  19  69.472  37.978-100.842
  202   2HO*    C  19          2HO*        C  19  68.272  37.562-102.881
  203    H1*    C  19           H1*        C  19  66.796  38.128-101.576
  204   1H4     C  19          1H4         C  19  67.902  43.826 -99.139
  205   2H4     C  19          2H4         C  19  67.523  43.211 -97.541
  206    H5     C  19           H5         C  19  67.289  40.850 -97.052
  207    H6     C  19           H6         C  19  67.194  38.598 -98.023
  208   1H5*    C  20          1H5*        C  20  72.555  34.445-102.930
  209   2H5*    C  20          2H5*        C  20  70.815  34.622-103.109
  210    H4*    C  20           H4*        C  20  71.754  35.782-104.944
  211    H3*    C  20           H3*        C  20  73.726  36.663-102.903
  212   1H2*    C  20          1H2*        C  20  74.022  38.750-103.764
  213   2HO*    C  20          2HO*        C  20  73.026  39.197-105.936
  214    H1*    C  20           H1*        C  20  71.502  39.222-104.639
  215   1H4     C  20          1H4         C  20  71.563  42.436 -99.233
  216   2H4     C  20          2H4         C  20  71.142  40.973 -98.371
  217    H5     C  20           H5         C  20  71.217  38.783 -99.383
  218    H6     C  20           H6         C  20  71.474  37.562-101.497
  219   1H5*    C  21          1H5*        C  21  76.822  38.193-107.099
  220   2H5*    C  21          2H5*        C  21  75.806  39.483-106.396
  221    H4*    C  21           H4*        C  21  78.063  40.142-106.021
  222    H3*    C  21           H3*        C  21  78.437  37.242-105.370
  223   1H2*    C  21          1H2*        C  21  79.961  37.653-103.703
  224   2HO*    C  21          2HO*        C  21  80.376  40.222-104.862
  225    H1*    C  21           H1*        C  21  79.065  40.217-102.938
  226   1H4     C  21          1H4         C  21  78.332  35.861 -98.283
  227   2H4     C  21          2H4         C  21  76.610  36.095 -98.487
  228    H5     C  21           H5         C  21  75.668  37.395-100.263
  229    H6     C  21           H6         C  21  76.121  38.710-102.281
  230   1H5*    U  22          1H5*        U  22  82.789  37.021-108.419
  231   2H5*    U  22          2H5*        U  22  83.036  38.370-107.270
  232    H4*    U  22           H4*        U  22  84.326  36.900-105.798
  233    H3*    U  22           H3*        U  22  85.142  37.820-108.324
  234   1H2*    U  22          1H2*        U  22  85.273  35.862-109.454
  235   2HO*    U  22          2HO*        U  22  87.472  36.296-109.152
  236    H1*    U  22           H1*        U  22  85.825  34.138-107.092
  237    H3     U  22           H3         U  22  85.504  31.852-111.238
  238    H5     U  22           H5         U  22  81.725  31.937-109.375
  239    H6     U  22           H6         U  22  82.601  33.577-107.819
  240   1H5*    U  23          1H5*        U  23  88.148  35.602-107.717
  241   2H5*    U  23          2H5*        U  23  89.675  36.106-108.503
  242    H4*    U  23           H4*        U  23  89.995  34.117-107.065
  243    H3*    U  23           H3*        U  23  88.686  35.919-105.085
  244   1H2*    U  23          1H2*        U  23  90.134  35.478-103.387
  245   2HO*    U  23          2HO*        U  23  90.837  33.073-104.736
  246    H1*    U  23           H1*        U  23  92.403  34.824-104.832
  247    H3     U  23           H3         U  23  93.954  38.201-102.307
  248    H5     U  23           H5         U  23  90.953  40.027-104.638
  249    H6     U  23           H6         U  23  90.419  37.838-105.544
  250   1H5*    U  24          1H5*        U  24  86.478  31.068-103.866
  251   2H5*    U  24          2H5*        U  24  88.122  31.666-104.240
  252    H4*    U  24           H4*        U  24  87.989  30.138-102.239
  253    H3*    U  24           H3*        U  24  86.171  32.349-101.377
  254   1H2*    U  24          1H2*        U  24  87.001  32.454 -99.247
  255   2HO*    U  24          2HO*        U  24  88.298  30.784 -98.363
  256    H1*    U  24           H1*        U  24  89.634  32.041 -99.772
  257    H3     U  24           H3         U  24  88.603  36.276 -98.221
  258    H5     U  24           H5         U  24  88.169  36.435-102.409
  259    H6     U  24           H6         U  24  88.525  34.022-102.474
  260   1H5*    U  25          1H5*        U  25  82.746  29.559 -98.659
  261   2H5*    U  25          2H5*        U  25  84.457  29.232 -98.884
  262    H4*    U  25           H4*        U  25  84.118  29.715 -96.572
  263    H3*    U  25           H3*        U  25  82.596  32.107 -97.598
  264   1H2*    U  25          1H2*        U  25  83.188  33.296 -95.670
  265   2HO*    U  25          2HO*        U  25  84.261  32.198 -93.917
  266    H1*    U  25           H1*        U  25  85.750  32.391 -95.516
  267    H3     U  25           H3         U  25  85.946  36.838 -96.369
  268    H5     U  25           H5         U  25  85.592  34.979-100.133
  269    H6     U  25           H6         U  25  85.085  32.904 -98.990
  270   1H5*    C  26          1H5*        C  26  78.672  32.183 -94.476
  271   2H5*    C  26          2H5*        C  26  80.296  31.532 -94.311
  272    H4*    C  26           H4*        C  26  80.266  33.476 -92.984
  273    H3*    C  26           H3*        C  26  78.796  34.705 -95.304
  274   1H2*    C  26          1H2*        C  26  79.692  36.786 -94.812
  275   2HO*    C  26          2HO*        C  26  79.993  35.709 -92.209
  276    H1*    C  26           H1*        C  26  82.078  35.890 -93.657
  277   1H4     C  26          1H4         C  26  84.083  38.987 -98.737
  278   2H4     C  26          2H4         C  26  83.959  37.511 -99.674
  279    H5     C  26           H5         C  26  82.828  35.529 -98.874
  280    H6     C  26           H6         C  26  81.737  34.484 -96.947
  281   1H5*    C  27          1H5*        C  27  75.434  37.699 -93.562
  282   2H5*    C  27          2H5*        C  27  75.213  37.850 -91.802
  283    H4*    C  27           H4*        C  27  76.999  39.347 -91.605
  284    H3*    C  27           H3*        C  27  75.542  39.784 -94.211
  285   1H2*    C  27          1H2*        C  27  77.018  41.437 -94.850
  286   2HO*    C  27          2HO*        C  27  77.087  41.871 -92.130
  287    H1*    C  27           H1*        C  27  79.274  40.465 -93.443
  288   1H4     C  27          1H4         C  27  80.938  40.072 -99.473
  289   2H4     C  27          2H4         C  27  80.457  38.387 -99.453
  290    H5     C  27           H5         C  27  79.109  37.424 -97.691
  291    H6     C  27           H6         C  27  78.166  37.800 -95.458
  292   1H5*    G  28          1H5*        G  28  73.906  44.657 -92.145
  293   2H5*    G  28          2H5*        G  28  75.077  43.503 -91.525
  294    H4*    G  28           H4*        G  28  76.400  45.370 -91.781
  295    H3*    G  28           H3*        G  28  74.542  46.102 -94.005
  296   1H2*    G  28          1H2*        G  28  76.167  47.067 -95.313
  297   2HO*    G  28          2HO*        G  28  78.171  47.763 -94.410
  298    H1*    G  28           H1*        G  28  78.362  45.553 -94.602
  299    H8     G  28           H8         G  28  75.538  43.220 -95.315
  300    H1     G  28           H1         G  28  78.818  44.799-100.535
  301   1H2     G  28          1H2         G  28  79.990  47.483 -98.673
  302   2H2     G  28          2H2         G  28  79.987  46.629-100.205
  303   1H5*    A  29          1H5*        A  29  73.698  49.977 -94.995
  304   2H5*    A  29          2H5*        A  29  74.853  51.198 -94.471
  305    H4*    A  29           H4*        A  29  75.646  51.373 -96.574
  306    H3*    A  29           H3*        A  29  73.567  49.217 -97.122
  307   1H2*    A  29          1H2*        A  29  74.336  49.231 -99.373
  308   2HO*    A  29          2HO*        A  29  76.102  51.357 -98.660
  309    H1*    A  29           H1*        A  29  76.967  49.251 -98.699
  310    H8     A  29           H8         A  29  74.962  46.778 -96.561
  311   1H6     A  29          1H6         A  29  75.280  42.965-101.423
  312   2H6     A  29          2H6         A  29  74.914  43.069 -99.710
  313    H2     A  29           H2         A  29  76.671  47.018-102.722
  314   1H5*    G  30          1H5*        G  30  71.565  52.684-100.444
  315   2H5*    G  30          2H5*        G  30  73.066  52.201 -99.658
  316    H4*    G  30           H4*        G  30  73.181  51.824-102.079
  317    H3*    G  30           H3*        G  30  70.631  50.356-101.512
  318   1H2*    G  30          1H2*        G  30  71.137  48.614-102.963
  319   2HO*    G  30          2HO*        G  30  73.151  50.358-103.980
  320    H1*    G  30           H1*        G  30  73.761  48.317-102.398
  321    H8     G  30           H8         G  30  71.873  49.081 -99.200
  322    H1     G  30           H1         G  30  71.771  42.955-100.913
  323   1H2     G  30          1H2         G  30  72.842  44.133-104.004
  324   2H2     G  30          2H2         G  30  72.390  42.754-103.027
  325   1H5*    G  31          1H5*        G  31  68.822  51.412-106.367
  326   2H5*    G  31          2H5*        G  31  70.421  51.302-105.638
  327    H4*    G  31           H4*        G  31  70.176  49.482-107.191
  328    H3*    G  31           H3*        G  31  67.543  49.185-105.802
  329   1H2*    G  31          1H2*        G  31  67.588  46.866-105.908
  330   2HO*    G  31          2HO*        G  31  69.688  47.193-107.828
  331    H1*    G  31           H1*        G  31  70.263  46.482-105.438
  332    H8     G  31           H8         G  31  68.821  49.148-103.163
  333    H1     G  31           H1         G  31  68.053  43.242-100.895
  334   1H2     G  31          1H2         G  31  68.810  42.189-104.098
  335   2H2     G  31          2H2         G  31  68.372  41.760-102.464
  336   1H5*    G  32          1H5*        G  32  66.612  46.284-109.688
  337   2H5*    G  32          2H5*        G  32  67.792  47.152-108.718
  338    H4*    G  32           H4*        G  32  67.997  44.998-107.927
  339    H3*    G  32           H3*        G  32  65.007  44.809-108.236
  340   1H2*    G  32          1H2*        G  32  64.944  43.164-106.594
  341   2HO*    G  32          2HO*        G  32  67.466  42.621-107.631
  342    H1*    G  32           H1*        G  32  67.270  44.032-105.216
  343    H8     G  32           H8         G  32  64.828  46.793-105.057
  344    H1     G  32           H1         G  32  63.676  42.200-100.803
  345   1H2     G  32          1H2         G  32  65.608  40.195-102.891
  346   2H2     G  32          2H2         G  32  64.652  40.314-101.430
  347   1H5*    U  33          1H5*        U  33  63.478  42.110-111.779
  348   2H5*    U  33          2H5*        U  33  63.649  43.878-112.019
  349    H4*    U  33           H4*        U  33  63.507  42.071-114.033
  350    H3*    U  33           H3*        U  33  66.104  41.706-112.987
  351   1H2*    U  33          1H2*        U  33  67.136  43.542-113.854
  352   2HO*    U  33          2HO*        U  33  67.816  43.204-116.027
  353    H1*    U  33           H1*        U  33  65.313  43.878-116.182
  354    H3     U  33           H3         U  33  67.206  47.863-116.884
  355    H5     U  33           H5         U  33  66.842  47.746-112.686
  356    H6     U  33           H6         U  33  65.933  45.506-112.893
  357   1H5*    C  34          1H5*        C  34  68.505  37.925-114.842
  358   2H5*    C  34          2H5*        C  34  68.121  39.097-116.135
  359    H4*    C  34           H4*        C  34  70.524  39.003-115.819
  360    H3*    C  34           H3*        C  34  69.791  39.346-112.930
  361   1H2*    C  34          1H2*        C  34  71.561  40.753-112.498
  362   2HO*    C  34          2HO*        C  34  72.704  39.918-114.979
  363    H1*    C  34           H1*        C  34  71.626  42.146-114.869
  364   1H4     C  34          1H4         C  34  67.655  44.361-110.009
  365   2H4     C  34          2H4         C  34  68.747  45.670-110.408
  366    H5     C  34           H5         C  34  67.646  42.231-111.213
  367    H6     C  34           H6         C  34  68.735  40.909-112.920
  368   1H5*    A  35          1H5*        A  35  74.342  38.108-112.109
  369   2H5*    A  35          2H5*        A  35  73.198  38.972-113.163
  370    H4*    A  35           H4*        A  35  74.487  40.687-112.382
  371    H3*    A  35           H3*        A  35  75.210  38.900-110.326
  372   1H2*    A  35          1H2*        A  35  73.937  39.726-108.626
  373   2HO*    A  35          2HO*        A  35  75.705  41.947-108.981
  374    H1*    A  35           H1*        A  35  73.695  42.450-109.807
  375    H8     A  35           H8         A  35  70.706  40.866-110.266
  376   1H6     A  35          1H6         A  35  68.277  42.071-106.290
  377   2H6     A  35          2H6         A  35  68.781  42.502-104.676
  378    H2     A  35           H2         A  35  73.283  42.518-104.674
  379   1H5*    U  36          1H5*        U  36  79.333  42.652-110.853
  380   2H5*    U  36          2H5*        U  36  77.614  42.574-111.196
  381    H4*    U  36           H4*        U  36  78.041  44.739-110.336
  382    H3*    U  36           H3*        U  36  79.530  43.314-108.131
  383   1H2*    U  36          1H2*        U  36  79.077  45.115-106.729
  384   2HO*    U  36          2HO*        U  36  78.147  47.072-107.608
  385    H1*    U  36           H1*        U  36  76.516  45.572-107.678
  386    H3     U  36           H3         U  36  76.410  44.619-103.251
  387    H5     U  36           H5         U  36  76.119  40.945-105.272
  388    H6     U  36           H6         U  36  76.813  42.063-107.315
  389   1H5*    C  37          1H5*        C  37  83.916  45.935-107.692
  390   2H5*    C  37          2H5*        C  37  82.433  46.525-108.425
  391    H4*    C  37           H4*        C  37  82.599  47.738-106.430
  392    H3*    C  37           H3*        C  37  83.540  45.142-105.228
  393   1H2*    C  37          1H2*        C  37  82.627  45.689-103.184
  394   2HO*    C  37          2HO*        C  37  82.032  47.927-102.732
  395    H1*    C  37           H1*        C  37  80.511  47.276-104.107
  396   1H4     C  37          1H4         C  37  77.767  42.244-101.487
  397   2H4     C  37          2H4         C  37  77.816  41.433-103.036
  398    H5     C  37           H5         C  37  79.102  42.244-104.908
  399    H6     C  37           H6         C  37  80.456  44.102-105.756
  400   1H5*    G  38          1H5*        G  38  86.752  48.245-102.008
  401   2H5*    G  38          2H5*        G  38  85.451  48.821-103.042
  402    H4*    G  38           H4*        G  38  84.765  49.570-100.951
  403    H3*    G  38           H3*        G  38  86.118  47.087 -99.958
  404   1H2*    G  38          1H2*        G  38  84.667  46.803 -98.191
  405   2HO*    G  38          2HO*        G  38  83.950  49.525 -98.652
  406    H1*    G  38           H1*        G  38  82.346  47.590 -99.398
  407    H8     G  38           H8         G  38  84.432  45.388-101.677
  408    H1     G  38           H1         G  38  80.782  42.135 -97.594
  409   1H2     G  38          1H2         G  38  80.522  45.160 -95.891
  410   2H2     G  38          2H2         G  38  80.101  43.463 -95.958
  411   1H5*    G  39          1H5*        G  39  87.819  48.806 -95.537
  412   2H5*    G  39          2H5*        G  39  86.447  49.293 -96.520
  413    H4*    G  39           H4*        G  39  85.559  48.231 -94.588
  414    H3*    G  39           H3*        G  39  87.584  46.068 -95.169
  415   1H2*    G  39          1H2*        G  39  86.185  44.515 -94.141
  416   2HO*    G  39          2HO*        G  39  84.867  46.801 -93.078
  417    H1*    G  39           H1*        G  39  83.819  45.534 -95.122
  418    H8     G  39           H8         G  39  86.291  45.342 -97.932
  419    H1     G  39           H1         G  39  83.649  39.700 -96.563
  420   1H2     G  39          1H2         G  39  82.705  39.765 -94.562
  421   2H2     G  39          2H2         G  39  82.714  41.206 -93.567
  422   1H5*    A  40          1H5*        A  40  89.571  45.175 -90.418
  423   2H5*    A  40          2H5*        A  40  88.017  45.940 -90.712
  424    H4*    A  40           H4*        A  40  87.379  43.931 -89.747
  425    H3*    A  40           H3*        A  40  89.777  42.808 -91.165
  426   1H2*    A  40          1H2*        A  40  88.793  40.753 -91.424
  427   2HO*    A  40          2HO*        A  40  86.939  40.158 -90.108
  428    H1*    A  40           H1*        A  40  86.132  41.554 -91.513
  429    H8     A  40           H8         A  40  88.150  43.210 -94.221
  430   1H6     A  40          1H6         A  40  86.796  38.263 -97.633
  431   2H6     A  40          2H6         A  40  87.298  39.939 -97.674
  432    H2     A  40           H2         A  40  86.000  37.249 -93.322
  433   1H5*    A  41          1H5*        A  41  89.700  39.388 -86.970
  434   2H5*    A  41          2H5*        A  41  88.326  40.332 -87.613
  435    H4*    A  41           H4*        A  41  87.642  38.029 -87.462
  436    H3*    A  41           H3*        A  41  90.300  37.516 -88.740
  437   1H2*    A  41          1H2*        A  41  89.519  35.833 -90.095
  438   2HO*    A  41          2HO*        A  41  87.205  35.694 -88.431
  439    H1*    A  41           H1*        A  41  86.992  36.780 -90.596
  440    H8     A  41           H8         A  41  90.000  39.138 -90.857
  441   1H6     A  41          1H6         A  41  91.046  38.455 -95.528
  442   2H6     A  41          2H6         A  41  90.458  37.324 -96.727
  443    H2     A  41           H2         A  41  87.345  34.794 -94.709
  444   1H5*    C  42          1H5*        C  42  90.885  33.021 -86.756
  445   2H5*    C  42          2H5*        C  42  89.553  33.487 -87.852
  446    H4*    C  42           H4*        C  42  90.793  31.401 -88.520
  447    H3*    C  42           H3*        C  42  93.034  33.388 -88.646
  448   1H2*    C  42          1H2*        C  42  93.824  32.585 -90.606
  449   2HO*    C  42          2HO*        C  42  92.364  30.192 -90.183
  450    H1*    C  42           H1*        C  42  91.497  31.689 -91.748
  451   1H4     C  42          1H4         C  42  93.179  36.811 -95.082
  452   2H4     C  42          2H4         C  42  93.089  37.828 -93.662
  453    H5     C  42           H5         C  42  92.529  36.993 -91.476
  454    H6     C  42           H6         C  42  91.960  34.995 -90.171
  455   1H5*    C  43          1H5*        C  43  96.254  29.508 -88.739
  456   2H5*    C  43          2H5*        C  43  94.689  29.752 -89.568
  457    H4*    C  43           H4*        C  43  96.588  29.173 -91.098
  458    H3*    C  43           H3*        C  43  97.652  31.717 -89.924
  459   1H2*    C  43          1H2*        C  43  98.427  32.484 -91.933
  460   2HO*    C  43          2HO*        C  43  98.837  31.064 -93.693
  461    H1*    C  43           H1*        C  43  96.538  31.254 -93.615
  462   1H4     C  43          1H4         C  43  95.334  37.492 -93.757
  463   2H4     C  43          2H4         C  43  94.890  37.490 -92.066
  464    H5     C  43           H5         C  43  95.026  35.532 -90.668
  465    H6     C  43           H6         C  43  95.585  33.143 -90.597
  466   1H5*    A  44          1H5*        A  44 102.376  28.834 -89.631
  467   2H5*    A  44          2H5*        A  44 101.077  28.768 -90.862
  468    H4*    A  44           H4*        A  44 103.258  28.941 -91.943
  469    H3*    A  44           H3*        A  44 103.711  30.919 -89.845
  470   1H2*    A  44          1H2*        A  44 103.741  32.762 -91.074
  471   2HO*    A  44          2HO*        A  44 105.334  32.934 -92.731
  472    H1*    A  44           H1*        A  44 103.539  31.533 -93.750
  473    H8     A  44           H8         A  44 100.655  32.689 -91.531
  474   1H6     A  44          1H6         A  44  99.727  36.917 -93.688
  475   2H6     A  44          2H6         A  44 100.531  37.811 -94.959
  476    H2     A  44           H2         A  44 104.102  35.380 -96.205
  477    H3T    A  44           H3T        A  44 105.082  29.134 -90.411
   
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1  63.089  39.896-112.024
    2   2H5*    G   1          2H5*        G   1  63.505  41.119-110.800
    3    H4*    G   1           H4*        G   1  63.830  38.444-110.456
    4    H3*    G   1           H3*        G   1  61.007  39.113-109.817
    5   1H2*    G   1          1H2*        G   1  61.024  38.268-107.646
    6   2HO*    G   1          2HO*        G   1  62.514  36.799-106.941
    7    H1*    G   1           H1*        G   1  63.437  39.060-106.847
    8    H8     G   1           H8         G   1  62.363  41.848-109.042
    9    H1     G   1           H1         G   1  60.224  42.391-103.070
   10   1H2     G   1          1H2         G   1  60.895  38.991-102.811
   11   2H2     G   1          2H2         G   1  60.298  40.444-102.037
   12    H5T    G   1           H5T        G   1  60.964  40.001-111.318
   13   1H5*    G   2          1H5*        G   2  58.751  35.244-108.963
   14   2H5*    G   2          2H5*        G   2  60.410  35.768-108.719
   15    H4*    G   2           H4*        G   2  59.373  36.012-106.624
   16    H3*    G   2           H3*        G   2  57.078  37.225-108.161
   17   1H2*    G   2          1H2*        G   2  56.560  38.543-106.328
   18   2HO*    G   2          2HO*        G   2  57.463  37.985-104.216
   19    H1*    G   2           H1*        G   2  59.151  38.735-105.281
   20    H8     G   2           H8         G   2  59.008  40.198-108.711
   21    H1     G   2           H1         G   2  56.601  44.024-104.225
   22   1H2     G   2          1H2         G   2  56.488  41.132-102.283
   23   2H2     G   2          2H2         G   2  56.168  42.848-102.393
   24   1H5*    G   3          1H5*        G   3  53.844  34.058-104.993
   25   2H5*    G   3          2H5*        G   3  55.542  34.525-104.974
   26    H4*    G   3           H4*        G   3  54.579  35.419-102.981
   27    H3*    G   3           H3*        G   3  52.346  36.124-104.837
   28   1H2*    G   3          1H2*        G   3  51.931  38.157-103.859
   29   2HO*    G   3          2HO*        G   3  53.180  37.042-101.561
   30    H1*    G   3           H1*        G   3  54.471  38.710-102.874
   31    H8     G   3           H8         G   3  54.470  38.105-106.592
   32    H1     G   3           H1         G   3  52.954  44.067-104.933
   33   1H2     G   3          1H2         G   3  52.427  42.718-101.767
   34   2H2     G   3          2H2         G   3  52.399  44.138-102.788
   35   1H5*    A   4          1H5*        A   4  48.870  35.145-100.520
   36   2H5*    A   4          2H5*        A   4  50.616  35.247-100.349
   37    H4*    A   4           H4*        A   4  49.829  36.746 -98.724
   38    H3*    A   4           H3*        A   4  47.694  37.309-100.744
   39   1H2*    A   4          1H2*        A   4  47.507  39.538-100.207
   40   2HO*    A   4          2HO*        A   4  48.569  40.356 -98.257
   41    H1*    A   4           H1*        A   4  50.129  40.107 -99.724
   42    H8     A   4           H8         A   4  49.864  37.910-102.744
   43   1H6     A   4          1H6         A   4  49.327  43.089-106.019
   44   2H6     A   4          2H6         A   4  49.695  41.381-106.088
   45    H2     A   4           H2         A   4  48.648  44.092-101.686
   46   1H5*    G   5          1H5*        G   5  43.845  38.447 -97.701
   47   2H5*    G   5          2H5*        G   5  45.580  38.579 -97.460
   48    H4*    G   5           H4*        G   5  44.844  40.801 -97.710
   49    H3*    G   5           H3*        G   5  43.065  39.645 -99.828
   50   1H2*    G   5          1H2*        G   5  43.179  41.531-101.142
   51   2HO*    G   5          2HO*        G   5  43.783  42.821 -98.698
   52    H1*    G   5           H1*        G   5  45.751  42.381-100.432
   53    H8     G   5           H8         G   5  45.835  38.831-101.592
   54    H1     G   5           H1         G   5  45.864  43.008-106.400
   55   1H2     G   5          1H2         G   5  45.186  45.001-105.705
   56   2H2     G   5          2H2         G   5  44.736  45.303-104.038
   57   1H5*    C   6          1H5*        C   6  38.892  41.820 -98.685
   58   2H5*    C   6          2H5*        C   6  40.243  42.550 -99.603
   59    H4*    C   6           H4*        C   6  38.150  42.772-100.848
   60    H3*    C   6           H3*        C   6  37.976  39.836-100.279
   61   1H2*    C   6          1H2*        C   6  37.224  39.295-102.374
   62   2HO*    C   6          2HO*        C   6  36.553  42.044-102.730
   63    H1*    C   6           H1*        C   6  38.550  41.213-103.864
   64   1H4     C   6          1H4         C   6  41.478  35.637-104.781
   65   2H4     C   6          2H4         C   6  42.158  35.688-103.170
   66    H5     C   6           H5         C   6  41.652  37.423-101.581
   67    H6     C   6           H6         C   6  40.413  39.506-101.200
   68   1H5*    U   7          1H5*        U   7  32.762  39.684-100.154
   69   2H5*    U   7          2H5*        U   7  33.897  40.695-101.096
   70    H4*    U   7           H4*        U   7  32.792  39.316-102.683
   71    H3*    U   7           H3*        U   7  33.141  37.193-100.604
   72   1H2*    U   7          1H2*        U   7  33.607  35.530-102.116
   73   2HO*    U   7          2HO*        U   7  32.385  37.152-104.113
   74    H1*    U   7           H1*        U   7  34.719  37.102-104.172
   75    H3     U   7           H3         U   7  38.101  34.250-103.589
   76    H5     U   7           H5         U   7  37.816  36.124 -99.827
   77    H6     U   7           H6         U   7  35.851  37.294-100.622
   78   1H5*    C   8          1H5*        C   8  31.554  34.237-100.379
   79   2H5*    C   8          2H5*        C   8  29.849  33.812-100.037
   80    H4*    C   8           H4*        C   8  30.876  32.076-101.399
   81    H3*    C   8           H3*        C   8  31.983  34.379-102.807
   82   1H2*    C   8          1H2*        C   8  30.984  34.166-104.768
   83   2HO*    C   8          2HO*        C   8  31.521  31.371-104.608
   84    H1*    C   8           H1*        C   8  29.328  31.830-104.318
   85   1H4     C   8          1H4         C   8  25.530  35.896-107.308
   86   2H4     C   8          2H4         C   8  26.151  37.234-106.369
   87    H5     C   8           H5         C   8  27.862  36.968-104.686
   88    H6     C   8           H6         C   8  29.359  35.419-103.570
   89   1H5*    A   9          1H5*        A   9  34.984  30.794-105.149
   90   2H5*    A   9          2H5*        A   9  33.228  30.569-105.404
   91    H4*    A   9           H4*        A   9  34.558  30.179-107.463
   92    H3*    A   9           H3*        A   9  35.473  32.964-106.842
   93   1H2*    A   9          1H2*        A   9  35.359  33.657-109.026
   94   2HO*    A   9          2HO*        A   9  35.334  32.166-110.771
   95    H1*    A   9           H1*        A   9  33.213  32.128-109.883
   96    H8     A   9           H8         A   9  31.676  33.645-107.046
   97   1H6     A   9          1H6         A   9  32.006  39.222-109.628
   98   2H6     A   9          2H6         A   9  31.270  38.270-108.358
   99    H2     A   9           H2         A   9  34.730  36.467-111.908
  100   1H5*    A  10          1H5*        A  10  40.231  31.988-109.075
  101   2H5*    A  10          2H5*        A  10  38.602  31.311-109.370
  102    H4*    A  10           H4*        A  10  39.096  32.392-111.382
  103    H3*    A  10           H3*        A  10  40.489  34.401-109.651
  104   1H2*    A  10          1H2*        A  10  39.931  36.173-111.000
  105   2HO*    A  10          2HO*        A  10  40.652  35.212-112.948
  106    H1*    A  10           H1*        A  10  37.457  35.339-111.882
  107    H8     A  10           H8         A  10  37.504  34.984-108.168
  108   1H6     A  10          1H6         A  10  36.925  41.100-107.744
  109   2H6     A  10          2H6         A  10  36.829  39.588-106.870
  110    H2     A  10           H2         A  10  37.959  40.073-111.997
  111   1H5*    C  11          1H5*        C  11  43.980  35.628-113.298
  112   2H5*    C  11          2H5*        C  11  42.302  35.031-113.466
  113    H4*    C  11           H4*        C  11  42.390  37.249-114.396
  114    H3*    C  11           H3*        C  11  43.941  37.846-111.903
  115   1H2*    C  11          1H2*        C  11  42.967  39.894-111.577
  116   2HO*    C  11          2HO*        C  11  42.079  39.823-114.284
  117    H1*    C  11           H1*        C  11  40.447  39.386-112.586
  118   1H4     C  11          1H4         C  11  40.847  38.051-106.106
  119   2H4     C  11          2H4         C  11  39.933  39.535-106.258
  120    H5     C  11           H5         C  11  41.817  36.901-107.982
  121    H6     C  11           H6         C  11  42.148  36.938-110.409
  122   1H5*    U  12          1H5*        U  12  45.624  41.982-114.924
  123   2H5*    U  12          2H5*        U  12  44.041  41.165-115.070
  124    H4*    U  12           H4*        U  12  43.752  43.594-114.973
  125    H3*    U  12           H3*        U  12  45.471  43.282-112.545
  126   1H2*    U  12          1H2*        U  12  44.268  44.780-111.292
  127   2HO*    U  12          2HO*        U  12  43.189  45.780-113.733
  128    H1*    U  12           H1*        U  12  41.738  44.376-112.428
  129    H3     U  12           H3         U  12  40.583  43.017-108.339
  130    H5     U  12           H5         U  12  44.103  40.816-109.068
  131    H6     U  12           H6         U  12  44.281  41.938-111.215
  132   1H5*    C  13          1H5*        C  13  47.389  48.157-113.146
  133   2H5*    C  13          2H5*        C  13  45.886  47.367-113.605
  134    H4*    C  13           H4*        C  13  45.371  49.057-111.971
  135    H3*    C  13           H3*        C  13  47.720  47.857-110.551
  136   1H2*    C  13          1H2*        C  13  46.748  48.085-108.448
  137   2HO*    C  13          2HO*        C  13  45.022  49.894-109.772
  138    H1*    C  13           H1*        C  13  44.274  47.317-109.031
  139   1H4     C  13          1H4         C  13  46.773  41.733-107.493
  140   2H4     C  13          2H4         C  13  47.312  41.527-109.144
  141    H5     C  13           H5         C  13  47.295  43.307-110.767
  142    H6     C  13           H6         C  13  46.601  45.614-111.203
  143   1H5*    U  14          1H5*        U  14  49.434  51.981-108.070
  144   2H5*    U  14          2H5*        U  14  47.766  51.681-108.541
  145    H4*    U  14           H4*        U  14  47.699  51.589-106.208
  146    H3*    U  14           H3*        U  14  50.367  50.223-106.451
  147   1H2*    U  14          1H2*        U  14  49.977  48.938-104.561
  148   2HO*    U  14          2HO*        U  14  48.158  49.469-103.153
  149    H1*    U  14           H1*        U  14  47.268  48.550-104.877
  150    H3     U  14           H3         U  14  49.184  44.456-104.963
  151    H5     U  14           H5         U  14  49.631  45.956-108.874
  152    H6     U  14           H6         U  14  48.964  48.129-108.049
  153   1H5*    C  15          1H5*        C  15  51.683  52.569-101.908
  154   2H5*    C  15          2H5*        C  15  50.264  52.277-102.910
  155    H4*    C  15           H4*        C  15  50.186  50.738-101.078
  156    H3*    C  15           H3*        C  15  53.071  50.293-101.784
  157   1H2*    C  15          1H2*        C  15  52.958  48.045-101.286
  158   2HO*    C  15          2HO*        C  15  51.153  47.197-100.057
  159    H1*    C  15           H1*        C  15  50.351  47.576-102.026
  160   1H4     C  15          1H4         C  15  53.540  44.753-106.646
  161   2H4     C  15          2H4         C  15  53.554  46.258-107.541
  162    H5     C  15           H5         C  15  52.950  48.383-106.560
  163    H6     C  15           H6         C  15  52.018  49.484-104.581
  164   1H5*    C  16          1H5*        C  16  54.257  49.061 -96.928
  165   2H5*    C  16          2H5*        C  16  52.797  49.176 -97.904
  166    H4*    C  16           H4*        C  16  53.253  46.856 -97.607
  167    H3*    C  16           H3*        C  16  56.062  47.639 -98.346
  168   1H2*    C  16          1H2*        C  16  56.401  45.626 -99.403
  169   2HO*    C  16          2HO*        C  16  54.275  44.680 -97.782
  170    H1*    C  16           H1*        C  16  53.806  45.137-100.195
  171   1H4     C  16          1H4         C  16  56.761  47.611-105.464
  172   2H4     C  16          2H4         C  16  57.025  45.880-105.544
  173    H5     C  16           H5         C  16  55.856  48.724-103.510
  174    H6     C  16           H6         C  16  54.924  48.386-101.260
  175   1H5*    C  17          1H5*        C  17  58.197  44.180 -94.724
  176   2H5*    C  17          2H5*        C  17  56.534  44.215 -95.290
  177    H4*    C  17           H4*        C  17  57.257  42.094 -95.935
  178    H3*    C  17           H3*        C  17  59.878  43.460 -96.427
  179   1H2*    C  17          1H2*        C  17  60.429  42.085 -98.186
  180   2HO*    C  17          2HO*        C  17  58.662  40.275 -96.919
  181    H1*    C  17           H1*        C  17  57.843  41.524 -99.109
  182   1H4     C  17          1H4         C  17  59.625  46.582-102.820
  183   2H4     C  17          2H4         C  17  60.161  45.162-103.692
  184    H5     C  17           H5         C  17  58.860  46.515-100.534
  185    H6     C  17           H6         C  17  58.306  45.053 -98.646
  186   1H5*    C  18          1H5*        C  18  62.247  39.023 -95.098
  187   2H5*    C  18          2H5*        C  18  60.670  39.637 -95.580
  188    H4*    C  18           H4*        C  18  61.625  38.580 -97.496
  189    H3*    C  18           H3*        C  18  64.090  40.088 -96.680
  190   1H2*    C  18          1H2*        C  18  64.705  40.506 -98.857
  191   2HO*    C  18          2HO*        C  18  63.162  38.201 -99.414
  192    H1*    C  18           H1*        C  18  62.154  40.554-100.017
  193   1H4     C  18          1H4         C  18  64.064  46.534-100.492
  194   2H4     C  18          2H4         C  18  63.361  46.863 -98.924
  195    H5     C  18           H5         C  18  62.631  45.130 -97.419
  196    H6     C  18           H6         C  18  62.237  42.722 -97.168
  197   1H5*    C  19          1H5*        C  19  66.443  35.543 -98.838
  198   2H5*    C  19          2H5*        C  19  64.836  36.258 -98.816
  199    H4*    C  19           H4*        C  19  65.470  36.059-101.110
  200    H3*    C  19           H3*        C  19  68.096  37.104-100.108
  201   1H2*    C  19          1H2*        C  19  68.475  38.400-101.987
  202   2HO*    C  19          2HO*        C  19  67.068  38.128-103.875
  203    H1*    C  19           H1*        C  19  65.949  39.241-102.465
  204   1H4     C  19          1H4         C  19  68.269  44.185 -99.315
  205   2H4     C  19          2H4         C  19  67.820  43.426 -97.802
  206    H5     C  19           H5         C  19  67.119  41.122 -97.636
  207    H6     C  19           H6         C  19  66.533  39.107 -98.903
  208   1H5*    C  20          1H5*        C  20  70.912  34.205-103.458
  209   2H5*    C  20          2H5*        C  20  69.248  34.782-103.409
  210    H4*    C  20           H4*        C  20  70.456  36.104-105.020
  211    H3*    C  20           H3*        C  20  72.462  36.226-102.819
  212   1H2*    C  20          1H2*        C  20  73.019  38.398-103.173
  213   2HO*    C  20          2HO*        C  20  72.375  39.438-105.221
  214    H1*    C  20           H1*        C  20  70.600  39.327-104.109
  215   1H4     C  20          1H4         C  20  70.923  41.929 -98.410
  216   2H4     C  20          2H4         C  20  70.141  40.509 -97.748
  217    H5     C  20           H5         C  20  69.885  38.452 -98.995
  218    H6     C  20           H6         C  20  70.103  37.402-101.204
  219   1H5*    C  21          1H5*        C  21  76.310  36.233-105.724
  220   2H5*    C  21          2H5*        C  21  74.970  37.347-105.324
  221    H4*    C  21           H4*        C  21  77.125  38.455-105.035
  222    H3*    C  21           H3*        C  21  77.707  36.025-103.385
  223   1H2*    C  21          1H2*        C  21  78.814  37.226-101.763
  224   2HO*    C  21          2HO*        C  21  79.871  39.128-102.189
  225    H1*    C  21           H1*        C  21  77.471  39.694-102.095
  226   1H4     C  21          1H4         C  21  76.368  37.072 -96.339
  227   2H4     C  21          2H4         C  21  74.695  36.978 -96.842
  228    H5     C  21           H5         C  21  73.972  37.430 -99.086
  229    H6     C  21           H6         C  21  74.664  38.105-101.337
  230   1H5*    U  22          1H5*        U  22  80.599  38.114-106.010
  231   2H5*    U  22          2H5*        U  22  82.019  38.865-105.224
  232    H4*    U  22           H4*        U  22  83.504  37.310-106.449
  233    H3*    U  22           H3*        U  22  82.143  39.515-107.485
  234   1H2*    U  22          1H2*        U  22  80.622  38.492-108.826
  235   2HO*    U  22          2HO*        U  22  81.484  38.086-110.913
  236    H1*    U  22           H1*        U  22  82.268  36.087-109.445
  237    H3     U  22           H3         U  22  77.925  36.140-111.367
  238    H5     U  22           H5         U  22  77.799  34.159-107.650
  239    H6     U  22           H6         U  22  80.026  35.003-107.197
  240   1H5*    U  23          1H5*        U  23  85.865  37.366-108.157
  241   2H5*    U  23          2H5*        U  23  87.060  38.472-108.898
  242    H4*    U  23           H4*        U  23  88.044  36.508-107.647
  243    H3*    U  23           H3*        U  23  86.556  37.859-105.452
  244   1H2*    U  23          1H2*        U  23  88.258  37.777-103.960
  245   2HO*    U  23          2HO*        U  23  89.915  36.210-104.088
  246    H1*    U  23           H1*        U  23  90.432  37.739-105.700
  247    H3     U  23           H3         U  23  91.479  41.305-103.186
  248    H5     U  23           H5         U  23  87.828  42.417-104.974
  249    H6     U  23           H6         U  23  87.701  40.191-105.940
  250   1H5*    U  24          1H5*        U  24  85.672  32.550-104.251
  251   2H5*    U  24          2H5*        U  24  87.047  33.464-104.936
  252    H4*    U  24           H4*        U  24  87.656  31.858-103.097
  253    H3*    U  24           H3*        U  24  85.845  33.717-101.590
  254   1H2*    U  24          1H2*        U  24  87.177  33.659 -99.732
  255   2HO*    U  24          2HO*        U  24  87.314  31.339 -99.688
  256    H1*    U  24           H1*        U  24  89.627  33.392-101.011
  257    H3     U  24           H3         U  24  89.571  37.037 -98.250
  258    H5     U  24           H5         U  24  87.551  38.273-101.731
  259    H6     U  24           H6         U  24  87.689  35.979-102.550
  260   1H5*    U  25          1H5*        U  25  83.292  30.281 -98.656
  261   2H5*    U  25          2H5*        U  25  84.922  30.109 -99.289
  262    H4*    U  25           H4*        U  25  85.094  30.227 -96.914
  263    H3*    U  25           H3*        U  25  83.319  32.646 -97.191
  264   1H2*    U  25          1H2*        U  25  84.280  33.512 -95.229
  265   2HO*    U  25          2HO*        U  25  85.139  30.844 -94.836
  266    H1*    U  25           H1*        U  25  86.809  32.677 -95.749
  267    H3     U  25           H3         U  25  86.807  37.221 -95.529
  268    H5     U  25           H5         U  25  85.766  36.272 -99.498
  269    H6     U  25           H6         U  25  85.496  33.959 -98.811
  270   1H5*    C  26          1H5*        C  26  79.931  31.930 -93.412
  271   2H5*    C  26          2H5*        C  26  81.548  31.256 -93.569
  272    H4*    C  26           H4*        C  26  81.627  32.881 -91.820
  273    H3*    C  26           H3*        C  26  80.085  34.560 -93.774
  274   1H2*    C  26          1H2*        C  26  81.096  36.514 -93.037
  275   2HO*    C  26          2HO*        C  26  82.387  36.507 -91.092
  276    H1*    C  26           H1*        C  26  83.615  35.540 -92.633
  277   1H4     C  26          1H4         C  26  84.242  38.316 -98.242
  278   2H4     C  26          2H4         C  26  83.739  36.833 -99.026
  279    H5     C  26           H5         C  26  82.748  34.977 -97.837
  280    H6     C  26           H6         C  26  82.194  34.077 -95.626
  281   1H5*    C  27          1H5*        C  27  77.091  36.904 -90.273
  282   2H5*    C  27          2H5*        C  27  78.618  36.036 -90.175
  283    H4*    C  27           H4*        C  27  79.136  38.348 -89.972
  284    H3*    C  27           H3*        C  27  77.295  38.676 -92.339
  285   1H2*    C  27          1H2*        C  27  78.530  40.468 -93.098
  286   2HO*    C  27          2HO*        C  27  79.449  40.632 -90.413
  287    H1*    C  27           H1*        C  27  81.029  39.594 -92.179
  288   1H4     C  27          1H4         C  27  81.394  39.180 -98.461
  289   2H4     C  27          2H4         C  27  80.816  37.531 -98.370
  290    H5     C  27           H5         C  27  79.864  36.577 -96.363
  291    H6     C  27           H6         C  27  79.434  36.945 -93.978
  292   1H5*    G  28          1H5*        G  28  74.928  43.089 -90.469
  293   2H5*    G  28          2H5*        G  28  76.452  42.360 -89.981
  294    H4*    G  28           H4*        G  28  77.039  44.437 -90.940
  295    H3*    G  28           H3*        G  28  74.925  43.743 -92.952
  296   1H2*    G  28          1H2*        G  28  76.061  44.712 -94.700
  297   2HO*    G  28          2HO*        G  28  77.439  46.154 -92.672
  298    H1*    G  28           H1*        G  28  78.657  44.204 -93.879
  299    H8     G  28           H8         G  28  76.587  41.064 -93.750
  300    H1     G  28           H1         G  28  78.818  42.411 -99.561
  301   1H2     G  28          1H2         G  28  79.383  45.597 -98.275
  302   2H2     G  28          2H2         G  28  79.478  44.525 -99.654
  303   1H5*    A  29          1H5*        A  29  74.105  48.995 -93.571
  304   2H5*    A  29          2H5*        A  29  75.419  48.058 -92.874
  305    H4*    A  29           H4*        A  29  76.393  49.164 -94.704
  306    H3*    A  29           H3*        A  29  73.826  48.486 -96.126
  307   1H2*    A  29          1H2*        A  29  74.927  48.407 -98.170
  308   2HO*    A  29          2HO*        A  29  77.087  49.260 -98.376
  309    H1*    A  29           H1*        A  29  77.331  47.370 -97.250
  310    H8     A  29           H8         A  29  74.500  45.279 -95.954
  311   1H6     A  29          1H6         A  29  74.961  42.078-101.203
  312   2H6     A  29          2H6         A  29  74.371  42.053 -99.554
  313    H2     A  29           H2         A  29  77.149  45.967-101.740
  314   1H5*    G  30          1H5*        G  30  73.407  52.259 -99.201
  315   2H5*    G  30          2H5*        G  30  74.794  51.544 -98.389
  316    H4*    G  30           H4*        G  30  74.860  50.895-100.704
  317    H3*    G  30           H3*        G  30  71.973  50.217-100.204
  318   1H2*    G  30          1H2*        G  30  72.070  48.399-101.658
  319   2HO*    G  30          2HO*        G  30  74.148  48.121-102.894
  320    H1*    G  30           H1*        G  30  74.552  47.486-101.017
  321    H8     G  30           H8         G  30  72.573  48.429 -97.888
  322    H1     G  30           H1         G  30  71.456  42.573-100.122
  323   1H2     G  30          1H2         G  30  72.995  43.743-103.017
  324   2H2     G  30          2H2         G  30  72.204  42.413-102.202
  325   1H5*    G  31          1H5*        G  31  70.557  52.407-105.053
  326   2H5*    G  31          2H5*        G  31  72.139  51.874-104.485
  327    H4*    G  31           H4*        G  31  71.578  50.517-106.391
  328    H3*    G  31           H3*        G  31  68.918  50.444-105.027
  329   1H2*    G  31          1H2*        G  31  68.509  48.222-105.505
  330   2HO*    G  31          2HO*        G  31  70.583  48.496-107.448
  331    H1*    G  31           H1*        G  31  71.034  47.226-105.210
  332    H8     G  31           H8         G  31  70.234  49.742-102.497
  333    H1     G  31           H1         G  31  68.240  43.831-101.191
  334   1H2     G  31          1H2         G  31  68.724  43.241-104.585
  335   2H2     G  31          2H2         G  31  68.218  42.608-103.033
  336   1H5*    G  32          1H5*        G  32  67.237  48.771-109.923
  337   2H5*    G  32          2H5*        G  32  68.840  48.952-109.226
  338    H4*    G  32           H4*        G  32  68.775  46.672-109.599
  339    H3*    G  32           H3*        G  32  65.835  47.004-109.149
  340   1H2*    G  32          1H2*        G  32  65.536  44.958-108.159
  341   2HO*    G  32          2HO*        G  32  67.188  43.302-108.345
  342    H1*    G  32           H1*        G  32  67.936  44.706-106.832
  343    H8     G  32           H8         G  32  66.495  48.153-106.441
  344    H1     G  32           H1         G  32  64.409  44.068-102.036
  345   1H2     G  32          1H2         G  32  65.507  41.590-104.206
  346   2H2     G  32          2H2         G  32  64.737  41.991-102.682
  347   1H5*    U  33          1H5*        U  33  64.259  43.139-111.070
  348   2H5*    U  33          2H5*        U  33  63.247  44.355-111.912
  349    H4*    U  33           H4*        U  33  63.015  42.096-112.905
  350    H3*    U  33           H3*        U  33  65.775  41.905-112.510
  351   1H2*    U  33          1H2*        U  33  66.542  43.058-114.314
  352   2HO*    U  33          2HO*        U  33  66.690  41.702-116.177
  353    H1*    U  33           H1*        U  33  64.237  42.465-116.106
  354    H3     U  33           H3         U  33  65.850  45.548-118.910
  355    H5     U  33           H5         U  33  66.359  47.371-115.143
  356    H6     U  33           H6         U  33  65.489  45.350-114.120
  357   1H5*    C  34          1H5*        C  34  67.388  37.434-113.542
  358   2H5*    C  34          2H5*        C  34  67.178  38.463-114.993
  359    H4*    C  34           H4*        C  34  69.558  37.812-114.618
  360    H3*    C  34           H3*        C  34  68.928  39.034-111.977
  361   1H2*    C  34          1H2*        C  34  70.856  40.265-111.816
  362   2HO*    C  34          2HO*        C  34  72.724  39.729-113.050
  363    H1*    C  34           H1*        C  34  71.297  40.782-114.522
  364   1H4     C  34          1H4         C  34  67.777  45.323-111.211
  365   2H4     C  34          2H4         C  34  69.122  46.161-111.953
  366    H5     C  34           H5         C  34  67.407  42.939-111.457
  367    H6     C  34           H6         C  34  68.215  40.896-112.475
  368   1H5*    A  35          1H5*        A  35  73.278  37.021-110.895
  369   2H5*    A  35          2H5*        A  35  72.196  37.902-112.008
  370    H4*    A  35           H4*        A  35  73.809  39.490-111.584
  371    H3*    A  35           H3*        A  35  74.444  37.906-109.349
  372   1H2*    A  35          1H2*        A  35  73.333  38.997-107.727
  373   2HO*    A  35          2HO*        A  35  75.273  41.015-108.317
  374    H1*    A  35           H1*        A  35  73.231  41.654-109.052
  375    H8     A  35           H8         A  35  70.176  39.976-109.370
  376   1H6     A  35          1H6         A  35  67.870  40.964-105.275
  377   2H6     A  35          2H6         A  35  68.401  41.557-103.719
  378    H2     A  35           H2         A  35  72.850  42.163-103.998
  379   1H5*    U  36          1H5*        U  36  79.142  40.946-109.974
  380   2H5*    U  36          2H5*        U  36  77.466  41.185-110.443
  381    H4*    U  36           H4*        U  36  78.164  43.251-109.552
  382    H3*    U  36           H3*        U  36  79.481  41.566-107.439
  383   1H2*    U  36          1H2*        U  36  79.183  43.202-105.849
  384   2HO*    U  36          2HO*        U  36  78.735  45.387-106.438
  385    H1*    U  36           H1*        U  36  76.799  44.268-106.829
  386    H3     U  36           H3         U  36  76.219  43.106-102.480
  387    H5     U  36           H5         U  36  75.478  39.641-104.752
  388    H6     U  36           H6         U  36  76.418  40.754-106.670
  389   1H5*    C  37          1H5*        C  37  83.301  45.090-107.254
  390   2H5*    C  37          2H5*        C  37  81.657  44.935-107.857
  391    H4*    C  37           H4*        C  37  81.576  46.368-105.959
  392    H3*    C  37           H3*        C  37  83.201  44.221-104.591
  393   1H2*    C  37          1H2*        C  37  82.249  44.827-102.570
  394   2HO*    C  37          2HO*        C  37  81.684  47.284-103.881
  395    H1*    C  37           H1*        C  37  79.764  45.598-103.605
  396   1H4     C  37          1H4         C  37  78.813  40.506-100.006
  397   2H4     C  37          2H4         C  37  78.970  39.492-101.423
  398    H5     C  37           H5         C  37  79.791  40.309-103.546
  399    H6     C  37           H6         C  37  80.451  42.307-104.798
  400   1H5*    G  38          1H5*        G  38  86.663  47.588-102.182
  401   2H5*    G  38          2H5*        G  38  85.132  48.101-102.876
  402    H4*    G  38           H4*        G  38  84.887  48.676-100.635
  403    H3*    G  38           H3*        G  38  86.509  46.204-100.127
  404   1H2*    G  38          1H2*        G  38  85.467  45.757 -98.121
  405   2HO*    G  38          2HO*        G  38  84.073  47.424 -97.151
  406    H1*    G  38           H1*        G  38  82.926  46.624 -98.749
  407    H8     G  38           H8         G  38  84.340  44.433-101.486
  408    H1     G  38           H1         G  38  81.741  41.165 -96.672
  409   1H2     G  38          1H2         G  38  82.008  44.150 -94.902
  410   2H2     G  38          2H2         G  38  81.534  42.465 -94.893
  411   1H5*    G  39          1H5*        G  39  89.078  47.933 -96.071
  412   2H5*    G  39          2H5*        G  39  87.674  48.514 -96.960
  413    H4*    G  39           H4*        G  39  86.712  47.363 -95.178
  414    H3*    G  39           H3*        G  39  89.073  45.548 -95.446
  415   1H2*    G  39          1H2*        G  39  87.815  43.621 -95.017
  416   2HO*    G  39          2HO*        G  39  86.616  45.389 -93.276
  417    H1*    G  39           H1*        G  39  85.252  44.654 -95.515
  418    H8     G  39           H8         G  39  87.029  44.385 -98.770
  419    H1     G  39           H1         G  39  84.483  38.941 -96.651
  420   1H2     G  39          1H2         G  39  84.112  39.088 -94.472
  421   2H2     G  39          2H2         G  39  84.488  40.530 -93.555
  422   1H5*    A  40          1H5*        A  40  91.168  45.005 -91.294
  423   2H5*    A  40          2H5*        A  40  90.576  45.804 -89.838
  424    H4*    A  40           H4*        A  40  89.969  43.794 -89.002
  425    H3*    A  40           H3*        A  40  90.934  42.818 -91.716
  426   1H2*    A  40          1H2*        A  40  90.134  40.658 -91.164
  427   2HO*    A  40          2HO*        A  40  89.133  40.272 -89.136
  428    H1*    A  40           H1*        A  40  87.699  41.515 -90.551
  429    H8     A  40           H8         A  40  89.149  43.817 -93.131
  430   1H6     A  40          1H6         A  40  87.433  39.578 -97.307
  431   2H6     A  40          2H6         A  40  87.861  41.260 -97.072
  432    H2     A  40           H2         A  40  87.282  37.670 -93.241
  433   1H5*    A  41          1H5*        A  41  92.532  39.596 -88.061
  434   2H5*    A  41          2H5*        A  41  91.320  40.795 -88.596
  435    H4*    A  41           H4*        A  41  90.126  38.801 -88.042
  436    H3*    A  41           H3*        A  41  92.351  37.478 -89.535
  437   1H2*    A  41          1H2*        A  41  90.995  35.902 -90.504
  438   2HO*    A  41          2HO*        A  41  89.040  36.491 -88.514
  439    H1*    A  41           H1*        A  41  88.645  37.384 -90.665
  440    H8     A  41           H8         A  41  91.329  39.321 -92.346
  441   1H6     A  41          1H6         A  41  91.571  37.008 -96.575
  442   2H6     A  41          2H6         A  41  90.928  35.481 -97.138
  443    H2     A  41           H2         A  41  88.643  33.693 -93.706
  444   1H5*    C  42          1H5*        C  42  92.451  33.222 -87.440
  445   2H5*    C  42          2H5*        C  42  91.123  33.869 -88.446
  446    H4*    C  42           H4*        C  42  92.113  31.648 -89.187
  447    H3*    C  42           H3*        C  42  94.472  33.456 -89.513
  448   1H2*    C  42          1H2*        C  42  94.994  32.661 -91.584
  449   2HO*    C  42          2HO*        C  42  94.389  30.577 -92.274
  450    H1*    C  42           H1*        C  42  92.505  31.813 -92.413
  451   1H4     C  42          1H4         C  42  93.980  36.580 -96.303
  452   2H4     C  42          2H4         C  42  94.172  37.691 -94.965
  453    H5     C  42           H5         C  42  93.910  37.042 -92.665
  454    H6     C  42           H6         C  42  93.394  35.194 -91.139
  455   1H5*    C  43          1H5*        C  43  96.760  28.875 -89.771
  456   2H5*    C  43          2H5*        C  43  95.261  29.656 -90.357
  457    H4*    C  43           H4*        C  43  96.544  28.472 -92.150
  458    H3*    C  43           H3*        C  43  98.637  30.380 -91.188
  459   1H2*    C  43          1H2*        C  43  99.339  30.968 -93.279
  460   2HO*    C  43          2HO*        C  43  97.991  28.669 -94.299
  461    H1*    C  43           H1*        C  43  96.924  30.813 -94.639
  462   1H4     C  43          1H4         C  43  98.237  36.964 -93.617
  463   2H4     C  43          2H4         C  43  97.827  36.800 -91.924
  464    H5     C  43           H5         C  43  97.236  34.702 -90.906
  465    H6     C  43           H6         C  43  96.855  32.293 -91.309
  466   1H5*    A  44          1H5*        A  44 100.255  24.737 -90.743
  467   2H5*    A  44          2H5*        A  44  99.020  25.725 -91.581
  468    H4*    A  44           H4*        A  44 100.360  24.466 -93.196
  469    H3*    A  44           H3*        A  44 102.550  25.381 -91.492
  470   1H2*    A  44          1H2*        A  44 103.516  26.820 -92.881
  471   2HO*    A  44          2HO*        A  44 103.380  24.719 -94.811
  472    H1*    A  44           H1*        A  44 101.855  26.311 -95.270
  473    H8     A  44           H8         A  44 100.711  29.012 -92.982
  474   1H6     A  44          1H6         A  44 103.049  32.793 -94.875
  475   2H6     A  44          2H6         A  44 104.324  32.936 -96.065
  476    H2     A  44           H2         A  44 105.356  28.763 -97.379
  477    H3T    A  44           H3T        A  44 102.407  23.585 -93.706
   
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1  63.157  38.100-110.413
    2   2H5*    G   1          2H5*        G   1  63.607  39.338-109.215
    3    H4*    G   1           H4*        G   1  63.720  36.660-108.766
    4    H3*    G   1           H3*        G   1  60.932  37.564-108.256
    5   1H2*    G   1          1H2*        G   1  60.812  36.758-106.069
    6   2HO*    G   1          2HO*        G   1  62.800  35.053-107.000
    7    H1*    G   1           H1*        G   1  63.250  37.402-105.207
    8    H8     G   1           H8         G   1  62.457  40.218-107.473
    9    H1     G   1           H1         G   1  60.087  41.001-101.617
   10   1H2     G   1          1H2         G   1  60.529  37.573-101.271
   11   2H2     G   1          2H2         G   1  59.994  39.076-100.547
   12    H5T    G   1           H5T        G   1  61.395  39.379-108.580
   13   1H5*    G   2          1H5*        G   2  58.269  33.912-107.582
   14   2H5*    G   2          2H5*        G   2  59.951  34.268-107.215
   15    H4*    G   2           H4*        G   2  58.784  34.605-105.198
   16    H3*    G   2           H3*        G   2  56.759  36.068-106.887
   17   1H2*    G   2          1H2*        G   2  56.251  37.428-105.083
   18   2HO*    G   2          2HO*        G   2  57.351  35.335-103.499
   19    H1*    G   2           H1*        G   2  58.763  37.341-103.847
   20    H8     G   2           H8         G   2  59.003  38.792-107.288
   21    H1     G   2           H1         G   2  56.774  42.892-102.956
   22   1H2     G   2          1H2         G   2  56.225  40.048-101.021
   23   2H2     G   2          2H2         G   2  56.104  41.788-101.153
   24   1H5*    G   3          1H5*        G   3  52.949  33.359-103.971
   25   2H5*    G   3          2H5*        G   3  54.688  33.607-103.837
   26    H4*    G   3           H4*        G   3  53.726  34.669-101.936
   27    H3*    G   3           H3*        G   3  51.711  35.595-103.940
   28   1H2*    G   3          1H2*        G   3  51.492  37.685-103.021
   29   2HO*    G   3          2HO*        G   3  52.441  36.469-100.633
   30    H1*    G   3           H1*        G   3  54.017  37.943-101.884
   31    H8     G   3           H8         G   3  54.172  37.279-105.587
   32    H1     G   3           H1         G   3  53.256  43.401-104.076
   33   1H2     G   3          1H2         G   3  52.375  42.167-100.942
   34   2H2     G   3          2H2         G   3  52.576  43.566-101.973
   35   1H5*    A   4          1H5*        A   4  47.950  35.201 -99.778
   36   2H5*    A   4          2H5*        A   4  49.691  35.091 -99.560
   37    H4*    A   4           H4*        A   4  49.055  36.736 -98.014
   38    H3*    A   4           H3*        A   4  47.063  37.505-100.117
   39   1H2*    A   4          1H2*        A   4  47.158  39.755 -99.639
   40   2HO*    A   4          2HO*        A   4  48.253  40.488 -97.684
   41    H1*    A   4           H1*        A   4  49.821  39.990 -99.102
   42    H8     A   4           H8         A   4  49.343  37.751-102.063
   43   1H6     A   4          1H6         A   4  49.554  42.852-105.499
   44   2H6     A   4          2H6         A   4  49.703  41.109-105.510
   45    H2     A   4           H2         A   4  48.917  44.071-101.218
   46   1H5*    G   5          1H5*        G   5  43.410  39.262 -97.125
   47   2H5*    G   5          2H5*        G   5  45.152  39.144 -96.915
   48    H4*    G   5           H4*        G   5  44.721  41.447 -97.211
   49    H3*    G   5           H3*        G   5  42.802  40.494 -99.306
   50   1H2*    G   5          1H2*        G   5  43.167  42.326-100.652
   51   2HO*    G   5          2HO*        G   5  43.974  43.566 -98.233
   52    H1*    G   5           H1*        G   5  45.831  42.836 -99.930
   53    H8     G   5           H8         G   5  45.459  39.299-101.083
   54    H1     G   5           H1         G   5  46.072  43.434-105.896
   55   1H2     G   5          1H2         G   5  45.678  45.502-105.203
   56   2H2     G   5          2H2         G   5  45.268  45.864-103.538
   57   1H5*    C   6          1H5*        C   6  38.383  42.073 -98.120
   58   2H5*    C   6          2H5*        C   6  39.194  43.348 -99.074
   59    H4*    C   6           H4*        C   6  37.108  42.484-100.137
   60    H3*    C   6           H3*        C   6  38.649  39.920 -99.944
   61   1H2*    C   6          1H2*        C   6  38.064  39.239-102.050
   62   2HO*    C   6          2HO*        C   6  36.215  40.056-103.121
   63    H1*    C   6           H1*        C   6  37.791  41.750-103.270
   64   1H4     C   6          1H4         C   6  43.009  39.224-105.835
   65   2H4     C   6          2H4         C   6  43.645  38.789-104.264
   66    H5     C   6           H5         C   6  42.494  39.247-102.205
   67    H6     C   6           H6         C   6  40.501  40.247-101.190
   68   1H5*    U   7          1H5*        U   7  34.185  37.389-100.340
   69   2H5*    U   7          2H5*        U   7  34.868  38.867-101.080
   70    H4*    U   7           H4*        U   7  34.305  37.414-102.879
   71    H3*    U   7           H3*        U   7  35.506  35.303-101.128
   72   1H2*    U   7          1H2*        U   7  36.498  34.184-102.879
   73   2HO*    U   7          2HO*        U   7  34.510  34.023-104.043
   74    H1*    U   7           H1*        U   7  36.824  36.353-104.649
   75    H3     U   7           H3         U   7  41.017  34.834-104.542
   76    H5     U   7           H5         U   7  40.290  35.811-100.511
   77    H6     U   7           H6         U   7  38.018  36.375-101.115
   78   1H5*    C   8          1H5*        C   8  34.645  31.614-100.886
   79   2H5*    C   8          2H5*        C   8  33.075  30.816-101.202
   80    H4*    C   8           H4*        C   8  34.966  29.627-102.264
   81    H3*    C   8           H3*        C   8  35.760  32.275-102.969
   82   1H2*    C   8          1H2*        C   8  34.925  32.449-105.034
   83   2HO*    C   8          2HO*        C   8  36.556  30.166-105.565
   84    H1*    C   8           H1*        C   8  34.399  29.591-105.549
   85   1H4     C   8          1H4         C   8  29.944  32.440-108.997
   86   2H4     C   8          2H4         C   8  29.651  33.610-107.731
   87    H5     C   8           H5         C   8  30.883  33.624-105.651
   88    H6     C   8           H6         C   8  32.637  32.566-104.349
   89   1H5*    A   9          1H5*        A   9  40.248  30.318-105.338
   90   2H5*    A   9          2H5*        A   9  38.819  29.304-105.692
   91    H4*    A   9           H4*        A   9  40.140  29.773-107.724
   92    H3*    A   9           H3*        A   9  39.735  32.589-106.801
   93   1H2*    A   9          1H2*        A   9  39.250  33.393-108.893
   94   2HO*    A   9          2HO*        A   9  41.162  32.490-109.834
   95    H1*    A   9           H1*        A   9  38.100  31.106-110.018
   96    H8     A   9           H8         A   9  36.070  31.545-107.074
   97   1H6     A   9          1H6         A   9  33.431  36.540-109.504
   98   2H6     A   9          2H6         A   9  33.334  35.338-108.237
   99    H2     A   9           H2         A   9  37.070  35.568-111.950
  100   1H5*    A  10          1H5*        A  10  44.080  34.033-109.561
  101   2H5*    A  10          2H5*        A  10  42.975  32.626-109.662
  102    H4*    A  10           H4*        A  10  42.463  33.752-111.635
  103    H3*    A  10           H3*        A  10  43.184  36.220-110.097
  104   1H2*    A  10          1H2*        A  10  41.577  37.535-111.046
  105   2HO*    A  10          2HO*        A  10  40.538  36.965-113.007
  106    H1*    A  10           H1*        A  10  39.549  35.740-111.331
  107    H8     A  10           H8         A  10  40.975  35.201-107.915
  108   1H6     A  10          1H6         A  10  38.030  40.266-106.062
  109   2H6     A  10          2H6         A  10  38.898  38.839-105.542
  110    H2     A  10           H2         A  10  37.879  40.122-110.551
  111   1H5*    C  11          1H5*        C  11  44.045  38.312-114.730
  112   2H5*    C  11          2H5*        C  11  43.167  36.968-113.940
  113    H4*    C  11           H4*        C  11  41.510  38.536-114.643
  114    H3*    C  11           H3*        C  11  43.468  40.534-113.643
  115   1H2*    C  11          1H2*        C  11  41.961  41.901-112.663
  116   2HO*    C  11          2HO*        C  11  40.708  42.115-114.571
  117    H1*    C  11           H1*        C  11  39.959  40.099-112.094
  118   1H4     C  11          1H4         C  11  43.672  40.601-106.658
  119   2H4     C  11          2H4         C  11  42.202  41.496-106.344
  120    H5     C  11           H5         C  11  44.166  39.583-108.784
  121    H6     C  11           H6         C  11  43.348  39.197-111.061
  122   1H5*    U  12          1H5*        U  12  45.460  43.279-114.801
  123   2H5*    U  12          2H5*        U  12  44.451  43.744-116.220
  124    H4*    U  12           H4*        U  12  44.568  45.839-115.304
  125    H3*    U  12           H3*        U  12  45.308  44.399-112.761
  126   1H2*    U  12          1H2*        U  12  44.372  46.005-111.398
  127   2HO*    U  12          2HO*        U  12  45.294  47.838-112.174
  128    H1*    U  12           H1*        U  12  42.253  46.794-113.028
  129    H3     U  12           H3         U  12  39.768  45.347-109.692
  130    H5     U  12           H5         U  12  42.716  42.351-109.974
  131    H6     U  12           H6         U  12  43.588  43.479-111.931
  132   1H5*    C  13          1H5*        C  13  48.293  48.702-112.628
  133   2H5*    C  13          2H5*        C  13  46.766  47.926-113.036
  134    H4*    C  13           H4*        C  13  46.434  49.655-111.338
  135    H3*    C  13           H3*        C  13  48.625  48.134-109.975
  136   1H2*    C  13          1H2*        C  13  47.646  48.356-107.873
  137   2HO*    C  13          2HO*        C  13  46.174  50.430-109.108
  138    H1*    C  13           H1*        C  13  45.087  47.965-108.544
  139   1H4     C  13          1H4         C  13  46.788  42.093-106.952
  140   2H4     C  13          2H4         C  13  47.258  41.799-108.611
  141    H5     C  13           H5         C  13  47.459  43.547-110.253
  142    H6     C  13           H6         C  13  47.096  45.925-110.703
  143   1H5*    U  14          1H5*        U  14  50.671  51.886-107.257
  144   2H5*    U  14          2H5*        U  14  48.999  51.739-107.781
  145    H4*    U  14           H4*        U  14  48.889  51.508-105.454
  146    H3*    U  14           H3*        U  14  51.402  49.876-105.755
  147   1H2*    U  14          1H2*        U  14  50.837  48.579-103.917
  148   2HO*    U  14          2HO*        U  14  49.079  50.719-103.277
  149    H1*    U  14           H1*        U  14  48.101  48.532-104.300
  150    H3     U  14           H3         U  14  49.529  44.242-104.413
  151    H5     U  14           H5         U  14  50.248  45.738-108.284
  152    H6     U  14           H6         U  14  49.819  47.962-107.435
  153   1H5*    C  15          1H5*        C  15  52.732  52.030-101.072
  154   2H5*    C  15          2H5*        C  15  51.382  51.890-102.195
  155    H4*    C  15           H4*        C  15  51.006  50.351-100.394
  156    H3*    C  15           H3*        C  15  53.872  49.601-100.906
  157   1H2*    C  15          1H2*        C  15  53.471  47.376-100.446
  158   2HO*    C  15          2HO*        C  15  51.516  46.728 -99.343
  159    H1*    C  15           H1*        C  15  50.877  47.222-101.359
  160   1H4     C  15          1H4         C  15  54.023  43.985-105.733
  161   2H4     C  15          2H4         C  15  54.263  45.467-106.635
  162    H5     C  15           H5         C  15  53.844  47.659-105.710
  163    H6     C  15           H6         C  15  52.906  48.885-103.810
  164   1H5*    C  16          1H5*        C  16  54.579  48.294 -95.958
  165   2H5*    C  16          2H5*        C  16  53.214  48.583 -97.031
  166    H4*    C  16           H4*        C  16  53.369  46.224 -96.721
  167    H3*    C  16           H3*        C  16  56.296  46.664 -97.269
  168   1H2*    C  16          1H2*        C  16  56.456  44.619 -98.308
  169   2HO*    C  16          2HO*        C  16  54.782  43.002 -97.999
  170    H1*    C  16           H1*        C  16  53.884  44.451 -99.274
  171   1H4     C  16          1H4         C  16  57.443  46.516-104.334
  172   2H4     C  16          2H4         C  16  57.520  44.765-104.388
  173    H5     C  16           H5         C  16  56.544  47.743-102.447
  174    H6     C  16           H6         C  16  55.444  47.535-100.258
  175   1H5*    C  17          1H5*        C  17  57.875  43.171 -93.405
  176   2H5*    C  17          2H5*        C  17  56.256  43.302 -94.076
  177    H4*    C  17           H4*        C  17  56.893  41.100 -94.569
  178    H3*    C  17           H3*        C  17  59.592  42.308 -95.072
  179   1H2*    C  17          1H2*        C  17  60.103  40.809 -96.737
  180   2HO*    C  17          2HO*        C  17  58.146  39.181 -95.481
  181    H1*    C  17           H1*        C  17  57.528  40.382 -97.725
  182   1H4     C  17          1H4         C  17  59.782  45.239-101.463
  183   2H4     C  17          2H4         C  17  60.253  43.768-102.286
  184    H5     C  17           H5         C  17  58.922  45.271 -99.209
  185    H6     C  17           H6         C  17  58.194  43.890 -97.320
  186   1H5*    C  18          1H5*        C  18  62.238  38.209 -94.253
  187   2H5*    C  18          2H5*        C  18  60.550  38.571 -94.584
  188    H4*    C  18           H4*        C  18  61.420  37.864 -96.652
  189    H3*    C  18           H3*        C  18  63.837  39.456 -95.846
  190   1H2*    C  18          1H2*        C  18  64.288  40.093 -98.016
  191   2HO*    C  18          2HO*        C  18  63.340  38.924 -99.807
  192    H1*    C  18           H1*        C  18  61.665  40.084 -99.005
  193   1H4     C  18          1H4         C  18  63.130  46.203 -99.028
  194   2H4     C  18          2H4         C  18  62.511  46.335 -97.397
  195    H5     C  18           H5         C  18  62.012  44.427 -96.019
  196    H6     C  18           H6         C  18  61.795  41.982 -95.973
  197   1H5*    C  19          1H5*        C  19  66.176  35.566 -98.815
  198   2H5*    C  19          2H5*        C  19  64.589  36.271 -98.534
  199    H4*    C  19           H4*        C  19  65.081  36.630-100.832
  200    H3*    C  19           H3*        C  19  67.787  37.413 -99.789
  201   1H2*    C  19          1H2*        C  19  68.061  39.031-101.397
  202   2HO*    C  19          2HO*        C  19  66.026  37.662-102.848
  203    H1*    C  19           H1*        C  19  65.410  39.744-101.726
  204   1H4     C  19          1H4         C  19  67.927  44.789 -98.910
  205   2H4     C  19          2H4         C  19  67.657  44.050 -97.345
  206    H5     C  19           H5         C  19  67.006  41.734 -97.067
  207    H6     C  19           H6         C  19  66.344  39.679 -98.235
  208   1H5*    C  20          1H5*        C  20  70.469  35.177-103.808
  209   2H5*    C  20          2H5*        C  20  68.800  35.727-103.847
  210    H4*    C  20           H4*        C  20  69.961  36.970-105.516
  211    H3*    C  20           H3*        C  20  72.048  37.155-103.396
  212   1H2*    C  20          1H2*        C  20  72.670  39.277-103.908
  213   2HO*    C  20          2HO*        C  20  71.383  38.865-106.424
  214    H1*    C  20           H1*        C  20  70.261  40.272-104.744
  215   1H4     C  20          1H4         C  20  70.913  42.892 -99.071
  216   2H4     C  20          2H4         C  20  70.250  41.449 -98.332
  217    H5     C  20           H5         C  20  69.928  39.385 -99.547
  218    H6     C  20           H6         C  20  69.931  38.340-101.768
  219   1H5*    C  21          1H5*        C  21  75.698  36.898-106.458
  220   2H5*    C  21          2H5*        C  21  74.421  38.052-105.975
  221    H4*    C  21           H4*        C  21  76.641  39.083-105.868
  222    H3*    C  21           H3*        C  21  77.223  36.677-104.187
  223   1H2*    C  21          1H2*        C  21  78.440  37.875-102.639
  224   2HO*    C  21          2HO*        C  21  79.005  39.425-104.881
  225    H1*    C  21           H1*        C  21  77.198  40.393-102.996
  226   1H4     C  21          1H4         C  21  76.332  38.054 -97.088
  227   2H4     C  21          2H4         C  21  74.630  38.008 -97.487
  228    H5     C  21           H5         C  21  73.790  38.399 -99.699
  229    H6     C  21           H6         C  21  74.365  38.954-102.018
  230   1H5*    U  22          1H5*        U  22  80.781  35.975-107.569
  231   2H5*    U  22          2H5*        U  22  80.893  36.842-109.129
  232    H4*    U  22           H4*        U  22  81.248  38.967-107.886
  233    H3*    U  22           H3*        U  22  83.078  36.874-108.295
  234   1H2*    U  22          1H2*        U  22  83.374  36.157-106.164
  235   2HO*    U  22          2HO*        U  22  84.680  38.691-105.955
  236    H1*    U  22           H1*        U  22  82.752  38.749-104.837
  237    H3     U  22           H3         U  22  83.740  35.126-101.932
  238    H5     U  22           H5         U  22  79.581  35.311-102.588
  239    H6     U  22           H6         U  22  80.000  36.881-104.388
  240   1H5*    U  23          1H5*        U  23  85.387  35.847-108.985
  241   2H5*    U  23          2H5*        U  23  86.601  36.688-109.992
  242    H4*    U  23           H4*        U  23  87.631  34.855-108.719
  243    H3*    U  23           H3*        U  23  86.256  36.227-106.458
  244   1H2*    U  23          1H2*        U  23  87.996  36.121-105.036
  245   2HO*    U  23          2HO*        U  23  88.233  33.837-105.280
  246    H1*    U  23           H1*        U  23  90.119  36.119-106.823
  247    H3     U  23           H3         U  23  91.135  39.762-104.405
  248    H5     U  23           H5         U  23  87.367  40.715-106.036
  249    H6     U  23           H6         U  23  87.293  38.485-106.995
  250   1H5*    U  24          1H5*        U  24  85.204  30.932-105.157
  251   2H5*    U  24          2H5*        U  24  86.559  31.736-105.999
  252    H4*    U  24           H4*        U  24  87.262  30.152-104.190
  253    H3*    U  24           H3*        U  24  85.709  32.130-102.547
  254   1H2*    U  24          1H2*        U  24  87.210  31.986-100.819
  255   2HO*    U  24          2HO*        U  24  88.188  29.576-101.989
  256    H1*    U  24           H1*        U  24  89.488  31.501-102.360
  257    H3     U  24           H3         U  24  90.233  35.055 -99.624
  258    H5     U  24           H5         U  24  87.824  36.583-102.717
  259    H6     U  24           H6         U  24  87.590  34.312-103.580
  260   1H5*    U  25          1H5*        U  25  82.668  29.531 -99.594
  261   2H5*    U  25          2H5*        U  25  84.307  29.055-100.015
  262    H4*    U  25           H4*        U  25  84.288  29.715 -97.712
  263    H3*    U  25           H3*        U  25  82.908  32.194 -98.737
  264   1H2*    U  25          1H2*        U  25  83.867  33.416 -96.982
  265   2HO*    U  25          2HO*        U  25  84.371  30.860 -95.860
  266    H1*    U  25           H1*        U  25  86.299  32.214 -97.045
  267    H3     U  25           H3         U  25  86.849  36.581 -98.137
  268    H5     U  25           H5         U  25  85.883  34.630-101.745
  269    H6     U  25           H6         U  25  85.318  32.658-100.454
  270   1H5*    C  26          1H5*        C  26  79.366  32.652 -95.014
  271   2H5*    C  26          2H5*        C  26  80.919  31.830 -95.069
  272    H4*    C  26           H4*        C  26  81.250  33.732 -93.704
  273    H3*    C  26           H3*        C  26  79.677  35.172 -95.830
  274   1H2*    C  26          1H2*        C  26  80.858  37.115 -95.458
  275   2HO*    C  26          2HO*        C  26  82.153  37.339 -93.498
  276    H1*    C  26           H1*        C  26  83.266  35.963 -94.690
  277   1H4     C  26          1H4         C  26  84.605  38.706-100.193
  278   2H4     C  26          2H4         C  26  84.151  37.234-101.025
  279    H5     C  26           H5         C  26  82.985  35.412 -99.943
  280    H6     C  26           H6         C  26  82.172  34.542 -97.806
  281   1H5*    C  27          1H5*        C  27  77.143  37.956 -91.937
  282   2H5*    C  27          2H5*        C  27  78.589  36.956 -91.951
  283    H4*    C  27           H4*        C  27  79.297  39.162 -91.419
  284    H3*    C  27           H3*        C  27  77.504  39.967 -93.702
  285   1H2*    C  27          1H2*        C  27  78.876  41.755 -94.222
  286   2HO*    C  27          2HO*        C  27  80.566  42.412 -92.732
  287    H1*    C  27           H1*        C  27  81.300  40.540 -93.619
  288   1H4     C  27          1H4         C  27  81.123  40.557 -99.932
  289   2H4     C  27          2H4         C  27  80.354  38.985 -99.895
  290    H5     C  27           H5         C  27  79.435  38.014 -97.890
  291    H6     C  27           H6         C  27  79.271  38.229 -95.450
  292   1H5*    G  28          1H5*        G  28  75.240  44.135 -91.519
  293   2H5*    G  28          2H5*        G  28  76.777  43.372 -91.134
  294    H4*    G  28           H4*        G  28  77.305  45.459 -92.138
  295    H3*    G  28           H3*        G  28  75.126  44.706 -94.057
  296   1H2*    G  28          1H2*        G  28  76.200  45.633 -95.868
  297   2HO*    G  28          2HO*        G  28  77.650  47.129 -93.930
  298    H1*    G  28           H1*        G  28  78.824  45.162 -95.116
  299    H8     G  28           H8         G  28  76.796  42.009 -94.848
  300    H1     G  28           H1         G  28  78.805  43.236-100.767
  301   1H2     G  28          1H2         G  28  79.393  46.456 -99.579
  302   2H2     G  28          2H2         G  28  79.446  45.351-100.934
  303   1H5*    A  29          1H5*        A  29  74.229  50.035 -94.454
  304   2H5*    A  29          2H5*        A  29  75.565  49.057 -93.862
  305    H4*    A  29           H4*        A  29  76.446  50.334 -95.653
  306    H3*    A  29           H3*        A  29  73.862  49.612 -97.009
  307   1H2*    A  29          1H2*        A  29  74.866  49.570 -99.096
  308   2HO*    A  29          2HO*        A  29  76.871  51.151 -97.852
  309    H1*    A  29           H1*        A  29  77.349  48.604 -98.322
  310    H8     A  29           H8         A  29  74.610  46.469 -96.878
  311   1H6     A  29          1H6         A  29  74.950  43.203-102.089
  312   2H6     A  29          2H6         A  29  74.411  43.195-100.425
  313    H2     A  29           H2         A  29  77.061  47.116-102.750
  314   1H5*    G  30          1H5*        G  30  73.055  53.289-100.019
  315   2H5*    G  30          2H5*        G  30  74.552  52.644 -99.357
  316    H4*    G  30           H4*        G  30  74.398  51.954-101.651
  317    H3*    G  30           H3*        G  30  71.612  51.141-100.853
  318   1H2*    G  30          1H2*        G  30  71.649  49.369-102.375
  319   2HO*    G  30          2HO*        G  30  73.577  49.195-103.804
  320    H1*    G  30           H1*        G  30  74.213  48.560-101.928
  321    H8     G  30           H8         G  30  72.503  49.400 -98.638
  322    H1     G  30           H1         G  30  71.277  43.553-100.834
  323   1H2     G  30          1H2         G  30  72.513  44.779-103.848
  324   2H2     G  30          2H2         G  30  71.826  43.427-102.977
  325   1H5*    G  31          1H5*        G  31  69.410  52.839-105.415
  326   2H5*    G  31          2H5*        G  31  71.078  52.391-105.074
  327    H4*    G  31           H4*        G  31  70.276  50.808-106.659
  328    H3*    G  31           H3*        G  31  67.833  50.877-104.930
  329   1H2*    G  31          1H2*        G  31  67.382  48.614-105.219
  330   2HO*    G  31          2HO*        G  31  69.206  48.769-107.417
  331    H1*    G  31           H1*        G  31  69.956  47.672-105.189
  332    H8     G  31           H8         G  31  69.440  50.288-102.496
  333    H1     G  31           H1         G  31  67.717  44.415-100.716
  334   1H2     G  31          1H2         G  31  67.763  43.684-104.106
  335   2H2     G  31          2H2         G  31  67.480  43.121-102.477
  336   1H5*    G  32          1H5*        G  32  65.780  48.842-109.276
  337   2H5*    G  32          2H5*        G  32  67.318  49.177-108.496
  338    H4*    G  32           H4*        G  32  67.223  46.873-108.442
  339    H3*    G  32           H3*        G  32  64.281  47.263-107.999
  340   1H2*    G  32          1H2*        G  32  64.102  45.304-106.797
  341   2HO*    G  32          2HO*        G  32  66.332  44.554-108.344
  342    H1*    G  32           H1*        G  32  66.702  45.270-105.721
  343    H8     G  32           H8         G  32  65.038  48.508-104.939
  344    H1     G  32           H1         G  32  63.547  43.918-100.802
  345   1H2     G  32          1H2         G  32  64.634  41.722-103.264
  346   2H2     G  32          2H2         G  32  63.957  41.931-101.660
  347   1H5*    U  33          1H5*        U  33  63.311  42.796-109.705
  348   2H5*    U  33          2H5*        U  33  61.969  43.793-110.356
  349    H4*    U  33           H4*        U  33  62.269  41.459-111.388
  350    H3*    U  33           H3*        U  33  64.914  42.163-111.622
  351   1H2*    U  33          1H2*        U  33  64.757  43.857-113.164
  352   2HO*    U  33          2HO*        U  33  64.498  41.571-114.862
  353    H1*    U  33           H1*        U  33  62.543  42.650-114.753
  354    H3     U  33           H3         U  33  62.934  46.601-116.926
  355    H5     U  33           H5         U  33  62.063  47.704-112.952
  356    H6     U  33           H6         U  33  62.262  45.367-112.330
  357   1H5*    C  34          1H5*        C  34  66.017  39.301-114.557
  358   2H5*    C  34          2H5*        C  34  66.330  40.839-113.701
  359    H4*    C  34           H4*        C  34  68.260  38.650-114.457
  360    H3*    C  34           H3*        C  34  68.250  40.299-111.975
  361   1H2*    C  34          1H2*        C  34  70.395  41.067-112.179
  362   2HO*    C  34          2HO*        C  34  71.932  40.004-113.519
  363    H1*    C  34           H1*        C  34  70.579  41.249-114.934
  364   1H4     C  34          1H4         C  34  68.236  46.504-111.603
  365   2H4     C  34          2H4         C  34  69.678  47.050-112.430
  366    H5     C  34           H5         C  34  67.374  44.253-111.821
  367    H6     C  34           H6         C  34  67.717  42.069-112.768
  368   1H5*    A  35          1H5*        A  35  72.179  37.810-110.854
  369   2H5*    A  35          2H5*        A  35  71.206  38.683-112.065
  370    H4*    A  35           H4*        A  35  73.077  40.023-111.925
  371    H3*    A  35           H3*        A  35  73.531  38.702-109.500
  372   1H2*    A  35          1H2*        A  35  72.688  40.179-108.032
  373   2HO*    A  35          2HO*        A  35  74.195  41.849-107.535
  374    H1*    A  35           H1*        A  35  73.063  42.567-109.755
  375    H8     A  35           H8         A  35  69.782  42.015-109.951
  376   1H6     A  35          1H6         A  35  67.995  44.097-105.984
  377   2H6     A  35          2H6         A  35  68.686  44.441-104.416
  378    H2     A  35           H2         A  35  72.950  43.041-104.527
  379   1H5*    U  36          1H5*        U  36  78.468  41.082-110.814
  380   2H5*    U  36          2H5*        U  36  76.766  41.340-111.158
  381    H4*    U  36           H4*        U  36  77.665  43.470-110.652
  382    H3*    U  36           H3*        U  36  79.045  42.023-108.411
  383   1H2*    U  36          1H2*        U  36  78.918  43.858-107.022
  384   2HO*    U  36          2HO*        U  36  78.473  45.972-107.870
  385    H1*    U  36           H1*        U  36  76.515  44.902-107.929
  386    H3     U  36           H3         U  36  76.118  44.102-103.477
  387    H5     U  36           H5         U  36  75.204  40.486-105.427
  388    H6     U  36           H6         U  36  76.082  41.421-107.465
  389   1H5*    C  37          1H5*        C  37  82.929  45.397-108.747
  390   2H5*    C  37          2H5*        C  37  81.251  45.245-109.250
  391    H4*    C  37           H4*        C  37  81.329  46.829-107.463
  392    H3*    C  37           H3*        C  37  82.935  44.711-106.032
  393   1H2*    C  37          1H2*        C  37  82.113  45.467-104.009
  394   2HO*    C  37          2HO*        C  37  81.496  47.854-105.431
  395    H1*    C  37           H1*        C  37  79.591  46.225-104.943
  396   1H4     C  37          1H4         C  37  78.764  41.208-101.183
  397   2H4     C  37          2H4         C  37  78.880  40.164-102.582
  398    H5     C  37           H5         C  37  79.636  40.935-104.741
  399    H6     C  37           H6         C  37  80.239  42.900-106.065
  400   1H5*    G  38          1H5*        G  38  86.986  47.831-104.323
  401   2H5*    G  38          2H5*        G  38  85.435  48.493-104.822
  402    H4*    G  38           H4*        G  38  85.663  49.155-102.573
  403    H3*    G  38           H3*        G  38  86.853  46.425-102.221
  404   1H2*    G  38          1H2*        G  38  85.975  46.134-100.110
  405   2HO*    G  38          2HO*        G  38  85.618  48.961-100.136
  406    H1*    G  38           H1*        G  38  83.552  47.347-100.456
  407    H8     G  38           H8         G  38  84.425  45.198-103.443
  408    H1     G  38           H1         G  38  81.794  41.943 -98.639
  409   1H2     G  38          1H2         G  38  82.573  44.738 -96.715
  410   2H2     G  38          2H2         G  38  81.887  43.130 -96.770
  411   1H5*    G  39          1H5*        G  39  89.838  48.042 -98.269
  412   2H5*    G  39          2H5*        G  39  88.369  48.640 -99.029
  413    H4*    G  39           H4*        G  39  87.755  47.876 -96.861
  414    H3*    G  39           H3*        G  39  89.386  45.441 -97.575
  415   1H2*    G  39          1H2*        G  39  88.023  44.112 -96.237
  416   2HO*    G  39          2HO*        G  39  86.445  45.100 -94.828
  417    H1*    G  39           H1*        G  39  85.640  45.320 -96.871
  418    H8     G  39           H8         G  39  87.579  44.778-100.039
  419    H1     G  39           H1         G  39  84.630  39.515 -97.974
  420   1H2     G  39          1H2         G  39  84.063  39.745 -95.846
  421   2H2     G  39          2H2         G  39  84.399  41.203 -94.937
  422   1H5*    A  40          1H5*        A  40  91.890  44.642 -93.035
  423   2H5*    A  40          2H5*        A  40  90.411  45.574 -93.229
  424    H4*    A  40           H4*        A  40  89.640  43.757 -92.028
  425    H3*    A  40           H3*        A  40  91.778  42.247 -93.481
  426   1H2*    A  40          1H2*        A  40  90.573  40.290 -93.537
  427   2HO*    A  40          2HO*        A  40  88.824  39.945 -92.046
  428    H1*    A  40           H1*        A  40  87.993  41.367 -93.483
  429    H8     A  40           H8         A  40  89.881  42.668 -96.455
  430   1H6     A  40          1H6         A  40  87.655  37.765 -99.443
  431   2H6     A  40          2H6         A  40  88.318  39.373 -99.622
  432    H2     A  40           H2         A  40  87.244  37.012 -95.028
  433   1H5*    A  41          1H5*        A  41  91.050  39.648 -88.773
  434   2H5*    A  41          2H5*        A  41  90.095  40.760 -89.797
  435    H4*    A  41           H4*        A  41  88.724  38.835 -89.267
  436    H3*    A  41           H3*        A  41  91.193  37.332 -90.025
  437   1H2*    A  41          1H2*        A  41  90.089  35.692 -91.184
  438   2HO*    A  41          2HO*        A  41  87.684  36.536 -89.903
  439    H1*    A  41           H1*        A  41  88.030  37.155 -92.239
  440    H8     A  41           H8         A  41  91.534  38.662 -92.395
  441   1H6     A  41          1H6         A  41  92.947  36.845 -96.638
  442   2H6     A  41          2H6         A  41  92.241  35.676 -97.733
  443    H2     A  41           H2         A  41  88.354  34.364 -95.904
  444   1H5*    C  42          1H5*        C  42  89.992  33.417 -87.248
  445   2H5*    C  42          2H5*        C  42  89.084  34.101 -88.630
  446    H4*    C  42           H4*        C  42  89.527  31.619 -88.767
  447    H3*    C  42           H3*        C  42  92.319  32.672 -88.695
  448   1H2*    C  42          1H2*        C  42  93.047  31.382 -90.417
  449   2HO*    C  42          2HO*        C  42  92.042  29.414 -90.978
  450    H1*    C  42           H1*        C  42  90.693  31.030 -91.798
  451   1H4     C  42          1H4         C  42  94.316  34.582 -95.588
  452   2H4     C  42          2H4         C  42  94.454  35.835 -94.375
  453    H5     C  42           H5         C  42  93.465  35.664 -92.187
  454    H6     C  42           H6         C  42  92.117  34.269 -90.692
  455   1H5*    C  43          1H5*        C  43  93.237  27.770 -87.816
  456   2H5*    C  43          2H5*        C  43  92.256  28.748 -88.950
  457    H4*    C  43           H4*        C  43  93.641  26.974 -90.065
  458    H3*    C  43           H3*        C  43  95.782  28.526 -88.674
  459   1H2*    C  43          1H2*        C  43  97.200  28.569 -90.460
  460   2HO*    C  43          2HO*        C  43  97.039  26.286 -90.855
  461    H1*    C  43           H1*        C  43  95.365  28.720 -92.520
  462   1H4     C  43          1H4         C  43  97.799  34.538 -91.596
  463   2H4     C  43          2H4         C  43  96.835  34.738 -90.149
  464    H5     C  43           H5         C  43  95.436  33.004 -89.244
  465    H6     C  43           H6         C  43  94.619  30.693 -89.557
  466   1H5*    A  44          1H5*        A  44  95.628  28.601 -84.905
  467   2H5*    A  44          2H5*        A  44  96.585  27.091 -84.993
  468    H4*    A  44           H4*        A  44  98.011  29.112 -84.906
  469    H3*    A  44           H3*        A  44  96.168  29.983 -86.999
  470   1H2*    A  44          1H2*        A  44  97.545  29.894 -88.746
  471   2HO*    A  44          2HO*        A  44  99.436  31.211 -88.692
  472    H1*    A  44           H1*        A  44 100.032  29.229 -87.296
  473    H8     A  44           H8         A  44  97.817  26.522 -88.674
  474   1H6     A  44          1H6         A  44  99.996  25.800 -92.926
  475   2H6     A  44          2H6         A  44 101.252  26.662 -93.786
  476    H2     A  44           H2         A  44 102.421  30.161 -91.219
  477    H3T    A  44           H3T        A  44  97.129  31.983 -86.417
   
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1  61.192  37.678-110.530
    2   2H5*    G   1          2H5*        G   1  61.897  38.710-109.262
    3    H4*    G   1           H4*        G   1  61.798  35.996-109.144
    4    H3*    G   1           H3*        G   1  59.187  37.054-108.193
    5   1H2*    G   1          1H2*        G   1  59.238  36.003-106.107
    6   2HO*    G   1          2HO*        G   1  60.542  34.273-105.668
    7    H1*    G   1           H1*        G   1  61.795  36.363-105.475
    8    H8     G   1           H8         G   1  61.023  39.445-107.383
    9    H1     G   1           H1         G   1  59.391  39.854-101.242
   10   1H2     G   1          1H2         G   1  59.561  36.384-101.242
   11   2H2     G   1          2H2         G   1  59.245  37.851-100.336
   12    H5T    G   1           H5T        G   1  59.173  38.055-109.624
   13   1H5*    G   2          1H5*        G   2  56.180  33.627-107.753
   14   2H5*    G   2          2H5*        G   2  57.914  33.740-107.489
   15    H4*    G   2           H4*        G   2  56.946  33.931-105.352
   16    H3*    G   2           H3*        G   2  54.987  35.804-106.675
   17   1H2*    G   2          1H2*        G   2  54.773  36.988-104.698
   18   2HO*    G   2          2HO*        G   2  55.752  34.624-103.448
   19    H1*    G   2           H1*        G   2  57.344  36.494-103.697
   20    H8     G   2           H8         G   2  57.506  38.264-106.991
   21    H1     G   2           H1         G   2  56.158  42.119-102.106
   22   1H2     G   2          1H2         G   2  55.408  39.172-100.405
   23   2H2     G   2          2H2         G   2  55.499  40.918-100.360
   24   1H5*    G   3          1H5*        G   3  51.400  33.284-103.418
   25   2H5*    G   3          2H5*        G   3  53.121  33.303-103.803
   26    H4*    G   3           H4*        G   3  52.997  34.648-101.889
   27    H3*    G   3           H3*        G   3  50.361  35.430-103.033
   28   1H2*    G   3          1H2*        G   3  50.620  37.711-102.444
   29   2HO*    G   3          2HO*        G   3  51.665  36.479-100.225
   30    H1*    G   3           H1*        G   3  53.424  37.667-101.957
   31    H8     G   3           H8         G   3  52.822  37.418-105.575
   32    H1     G   3           H1         G   3  52.754  43.358-103.264
   33   1H2     G   3          1H2         G   3  52.144  41.801-100.212
   34   2H2     G   3          2H2         G   3  52.362  43.303-101.084
   35   1H5*    A   4          1H5*        A   4  47.046  35.272 -99.515
   36   2H5*    A   4          2H5*        A   4  47.466  34.703 -97.910
   37    H4*    A   4           H4*        A   4  46.916  36.725 -97.093
   38    H3*    A   4           H3*        A   4  46.547  37.389-100.026
   39   1H2*    A   4          1H2*        A   4  46.276  39.669 -99.480
   40   2HO*    A   4          2HO*        A   4  46.434  38.850 -96.740
   41    H1*    A   4           H1*        A   4  48.431  39.839 -97.949
   42    H8     A   4           H8         A   4  49.057  37.280-100.549
   43   1H6     A   4          1H6         A   4  50.213  41.858-104.504
   44   2H6     A   4          2H6         A   4  50.372  40.138-104.223
   45    H2     A   4           H2         A   4  48.328  43.604-100.813
   46   1H5*    G   5          1H5*        G   5  41.713  38.706 -98.213
   47   2H5*    G   5          2H5*        G   5  43.414  38.438 -97.834
   48    H4*    G   5           H4*        G   5  42.939  40.827 -97.870
   49    H3*    G   5           H3*        G   5  41.722  40.122-100.510
   50   1H2*    G   5          1H2*        G   5  42.536  41.983-101.582
   51   2HO*    G   5          2HO*        G   5  42.452  43.082 -98.996
   52    H1*    G   5           H1*        G   5  44.873  42.367-100.090
   53    H8     G   5           H8         G   5  44.900  38.885-101.324
   54    H1     G   5           H1         G   5  46.720  43.059-105.783
   55   1H2     G   5          1H2         G   5  46.104  45.113-105.223
   56   2H2     G   5          2H2         G   5  45.237  45.454-103.739
   57   1H5*    C   6          1H5*        C   6  37.942  43.184-100.125
   58   2H5*    C   6          2H5*        C   6  39.595  43.587-100.680
   59    H4*    C   6           H4*        C   6  37.890  44.453-102.236
   60    H3*    C   6           H3*        C   6  36.982  41.605-102.119
   61   1H2*    C   6          1H2*        C   6  36.617  41.424-104.368
   62   2HO*    C   6          2HO*        C   6  36.321  43.254-105.704
   63    H1*    C   6           H1*        C   6  38.603  43.101-105.314
   64   1H4     C   6          1H4         C   6  40.548  37.126-106.316
   65   2H4     C   6          2H4         C   6  40.877  36.914-104.610
   66    H5     C   6           H5         C   6  40.382  38.588-102.952
   67    H6     C   6           H6         C   6  39.471  40.834-102.571
   68   1H5*    U   7          1H5*        U   7  32.000  42.530-102.996
   69   2H5*    U   7          2H5*        U   7  33.500  43.297-103.597
   70    H4*    U   7           H4*        U   7  32.525  42.176-105.463
   71    H3*    U   7           H3*        U   7  32.032  40.000-103.469
   72   1H2*    U   7          1H2*        U   7  32.529  38.300-104.922
   73   2HO*    U   7          2HO*        U   7  32.078  40.133-107.057
   74    H1*    U   7           H1*        U   7  34.330  39.660-106.603
   75    H3     U   7           H3         U   7  36.889  36.199-105.393
   76    H5     U   7           H5         U   7  36.163  38.154-101.731
   77    H6     U   7           H6         U   7  34.673  39.663-102.900
   78   1H5*    C   8          1H5*        C   8  29.705  37.359-103.838
   79   2H5*    C   8          2H5*        C   8  27.929  37.314-104.049
   80    H4*    C   8           H4*        C   8  28.948  35.481-105.280
   81    H3*    C   8           H3*        C   8  30.926  37.486-105.913
   82   1H2*    C   8          1H2*        C   8  30.458  37.921-108.033
   83   2HO*    C   8          2HO*        C   8  30.508  35.093-108.402
   84    H1*    C   8           H1*        C   8  28.401  35.925-108.571
   85   1H4     C   8          1H4         C   8  26.397  41.043-111.672
   86   2H4     C   8          2H4         C   8  26.871  42.085-110.349
   87    H5     C   8           H5         C   8  27.898  41.249-108.329
   88    H6     C   8           H6         C   8  28.719  39.293-107.155
   89   1H5*    A   9          1H5*        A   9  33.593  33.561-108.239
   90   2H5*    A   9          2H5*        A   9  31.934  33.786-108.868
   91    H4*    A   9           H4*        A   9  33.676  33.423-110.641
   92    H3*    A   9           H3*        A   9  34.755  35.897-109.352
   93   1H2*    A   9          1H2*        A   9  35.231  36.929-111.341
   94   2HO*    A   9          2HO*        A   9  35.040  34.388-112.618
   95    H1*    A   9           H1*        A   9  33.189  35.891-112.903
   96    H8     A   9           H8         A   9  31.200  37.204-110.275
   97   1H6     A   9          1H6         A   9  32.895  42.973-111.615
   98   2H6     A   9          2H6         A   9  31.739  41.982-110.753
   99    H2     A   9           H2         A   9  35.736  40.163-113.679
  100   1H5*    A  10          1H5*        A  10  39.814  33.869-110.393
  101   2H5*    A  10          2H5*        A  10  38.242  33.535-111.179
  102    H4*    A  10           H4*        A  10  39.578  34.323-112.943
  103    H3*    A  10           H3*        A  10  40.764  36.126-110.868
  104   1H2*    A  10          1H2*        A  10  41.009  37.902-112.299
  105   2HO*    A  10          2HO*        A  10  42.043  36.667-113.954
  106    H1*    A  10           H1*        A  10  38.786  37.579-113.868
  107    H8     A  10           H8         A  10  37.658  37.213-110.335
  108   1H6     A  10          1H6         A  10  38.134  43.321-109.718
  109   2H6     A  10          2H6         A  10  37.501  41.853-109.005
  110    H2     A  10           H2         A  10  40.175  42.128-113.541
  111   1H5*    C  11          1H5*        C  11  45.323  36.512-113.276
  112   2H5*    C  11          2H5*        C  11  43.683  36.246-113.935
  113    H4*    C  11           H4*        C  11  44.445  38.376-114.741
  114    H3*    C  11           H3*        C  11  45.336  38.728-111.903
  115   1H2*    C  11          1H2*        C  11  44.734  40.936-111.803
  116   2HO*    C  11          2HO*        C  11  45.850  41.499-113.747
  117    H1*    C  11           H1*        C  11  42.551  40.912-113.489
  118   1H4     C  11          1H4         C  11  40.832  39.764-107.192
  119   2H4     C  11          2H4         C  11  40.329  41.398-107.562
  120    H5     C  11           H5         C  11  42.026  38.367-108.748
  121    H6     C  11           H6         C  11  43.028  38.246-110.981
  122   1H5*    U  12          1H5*        U  12  48.771  42.342-114.030
  123   2H5*    U  12          2H5*        U  12  47.214  41.857-114.766
  124    H4*    U  12           H4*        U  12  47.328  44.283-114.616
  125    H3*    U  12           H3*        U  12  48.122  43.674-111.796
  126   1H2*    U  12          1H2*        U  12  46.884  45.383-110.898
  127   2HO*    U  12          2HO*        U  12  46.784  46.548-113.498
  128    H1*    U  12           H1*        U  12  44.796  45.449-112.762
  129    H3     U  12           H3         U  12  42.237  44.345-109.275
  130    H5     U  12           H5         U  12  45.360  41.522-109.045
  131    H6     U  12           H6         U  12  46.362  42.572-110.992
  132   1H5*    C  13          1H5*        C  13  50.778  48.155-111.487
  133   2H5*    C  13          2H5*        C  13  49.424  47.541-112.429
  134    H4*    C  13           H4*        C  13  48.590  49.221-110.919
  135    H3*    C  13           H3*        C  13  50.252  47.717-108.926
  136   1H2*    C  13          1H2*        C  13  48.693  48.012-107.216
  137   2HO*    C  13          2HO*        C  13  46.932  49.450-107.439
  138    H1*    C  13           H1*        C  13  46.465  47.533-108.591
  139   1H4     C  13          1H4         C  13  47.780  41.693-106.605
  140   2H4     C  13          2H4         C  13  48.740  41.434-108.045
  141    H5     C  13           H5         C  13  49.398  43.214-109.526
  142    H6     C  13           H6         C  13  49.123  45.589-110.051
  143   1H5*    U  14          1H5*        U  14  51.498  51.499-105.781
  144   2H5*    U  14          2H5*        U  14  50.017  51.350-106.714
  145    H4*    U  14           H4*        U  14  49.324  51.173-104.478
  146    H3*    U  14           H3*        U  14  51.752  49.420-104.116
  147   1H2*    U  14          1H2*        U  14  50.678  48.276-102.391
  148   2HO*    U  14          2HO*        U  14  48.751  50.385-102.444
  149    H1*    U  14           H1*        U  14  48.169  48.237-103.533
  150    H3     U  14           H3         U  14  49.632  43.954-103.091
  151    H5     U  14           H5         U  14  51.349  45.338-106.681
  152    H6     U  14           H6         U  14  50.593  47.565-106.111
  153   1H5*    C  15          1H5*        C  15  53.497  51.409 -99.581
  154   2H5*    C  15          2H5*        C  15  51.915  51.555-100.338
  155    H4*    C  15           H4*        C  15  51.622  50.060 -98.517
  156    H3*    C  15           H3*        C  15  54.261  48.966 -99.431
  157   1H2*    C  15          1H2*        C  15  53.696  46.782 -98.992
  158   2HO*    C  15          2HO*        C  15  51.823  47.938 -97.226
  159    H1*    C  15           H1*        C  15  51.036  46.850 -99.590
  160   1H4     C  15          1H4         C  15  53.337  44.058-104.736
  161   2H4     C  15          2H4         C  15  53.641  45.631-105.443
  162    H5     C  15           H5         C  15  53.669  47.680-104.137
  163    H6     C  15           H6         C  15  52.937  48.703-102.047
  164   1H5*    C  16          1H5*        C  16  55.314  47.221 -94.683
  165   2H5*    C  16          2H5*        C  16  53.882  47.709 -95.579
  166    H4*    C  16           H4*        C  16  53.790  45.335 -95.362
  167    H3*    C  16           H3*        C  16  56.674  45.477 -96.200
  168   1H2*    C  16          1H2*        C  16  56.513  43.501 -97.354
  169   2HO*    C  16          2HO*        C  16  54.248  42.970 -95.724
  170    H1*    C  16           H1*        C  16  53.861  43.647 -98.073
  171   1H4     C  16          1H4         C  16  57.193  45.795-103.269
  172   2H4     C  16          2H4         C  16  57.039  44.063-103.488
  173    H5     C  16           H5         C  16  56.617  46.923-101.204
  174    H6     C  16           H6         C  16  55.685  46.627 -98.949
  175   1H5*    C  17          1H5*        C  17  58.313  41.587 -92.772
  176   2H5*    C  17          2H5*        C  17  56.627  41.864 -93.184
  177    H4*    C  17           H4*        C  17  56.980  39.654 -93.854
  178    H3*    C  17           H3*        C  17  59.705  40.636 -94.615
  179   1H2*    C  17          1H2*        C  17  59.896  39.196 -96.399
  180   2HO*    C  17          2HO*        C  17  58.399  37.372 -96.584
  181    H1*    C  17           H1*        C  17  57.216  39.075 -97.142
  182   1H4     C  17          1H4         C  17  59.477  44.059-100.701
  183   2H4     C  17          2H4         C  17  59.733  42.637-101.689
  184    H5     C  17           H5         C  17  58.869  43.955 -98.371
  185    H6     C  17           H6         C  17  58.213  42.473 -96.534
  186   1H5*    C  18          1H5*        C  18  62.215  36.441 -93.849
  187   2H5*    C  18          2H5*        C  18  60.537  36.896 -94.123
  188    H4*    C  18           H4*        C  18  61.359  36.175 -96.223
  189    H3*    C  18           H3*        C  18  63.789  37.782 -95.481
  190   1H2*    C  18          1H2*        C  18  64.165  38.410 -97.667
  191   2HO*    C  18          2HO*        C  18  62.723  36.051 -98.268
  192    H1*    C  18           H1*        C  18  61.503  38.353 -98.563
  193   1H4     C  18          1H4         C  18  63.020  44.448 -98.856
  194   2H4     C  18          2H4         C  18  62.459  44.651 -97.211
  195    H5     C  18           H5         C  18  61.984  42.800 -95.745
  196    H6     C  18           H6         C  18  61.740  40.358 -95.602
  197   1H5*    C  19          1H5*        C  19  66.440  33.862 -98.248
  198   2H5*    C  19          2H5*        C  19  64.755  34.355 -98.133
  199    H4*    C  19           H4*        C  19  65.318  34.556-100.423
  200    H3*    C  19           H3*        C  19  67.883  35.692 -99.359
  201   1H2*    C  19          1H2*        C  19  68.089  37.201-101.085
  202   2HO*    C  19          2HO*        C  19  66.675  36.955-102.995
  203    H1*    C  19           H1*        C  19  65.449  37.741-101.527
  204   1H4     C  19          1H4         C  19  67.429  42.918 -98.521
  205   2H4     C  19          2H4         C  19  67.112  42.141 -96.984
  206    H5     C  19           H5         C  19  66.628  39.784 -96.768
  207    H6     C  19           H6         C  19  66.181  37.706 -97.992
  208   1H5*    C  20          1H5*        C  20  70.985  33.401-103.023
  209   2H5*    C  20          2H5*        C  20  69.273  33.773-103.166
  210    H4*    C  20           H4*        C  20  70.427  35.034-104.841
  211    H3*    C  20           H3*        C  20  72.302  35.647-102.587
  212   1H2*    C  20          1H2*        C  20  72.662  37.795-103.231
  213   2HO*    C  20          2HO*        C  20  71.543  37.051-105.752
  214    H1*    C  20           H1*        C  20  70.179  38.446-104.083
  215   1H4     C  20          1H4         C  20  70.446  40.771 -98.234
  216   2H4     C  20          2H4         C  20  69.873  39.235 -97.612
  217    H5     C  20           H5         C  20  69.768  37.223 -98.964
  218    H6     C  20           H6         C  20  69.961  36.326-101.251
  219   1H5*    C  21          1H5*        C  21  76.352  35.812-104.764
  220   2H5*    C  21          2H5*        C  21  75.047  37.016-104.580
  221    H4*    C  21           H4*        C  21  77.335  37.826-103.920
  222    H3*    C  21           H3*        C  21  76.981  35.600-101.934
  223   1H2*    C  21          1H2*        C  21  77.863  36.852-100.208
  224   2HO*    C  21          2HO*        C  21  79.274  38.604-100.621
  225    H1*    C  21           H1*        C  21  77.215  39.416-101.235
  226   1H4     C  21          1H4         C  21  74.353  38.528 -95.627
  227   2H4     C  21          2H4         C  21  72.852  38.633 -96.521
  228    H5     C  21           H5         C  21  72.755  38.657 -98.917
  229    H6     C  21           H6         C  21  74.042  38.487-101.004
  230   1H5*    U  22          1H5*        U  22  81.218  38.192-105.199
  231   2H5*    U  22          2H5*        U  22  81.843  37.946-103.541
  232    H4*    U  22           H4*        U  22  83.550  36.412-104.390
  233    H3*    U  22           H3*        U  22  83.469  39.180-104.847
  234   1H2*    U  22          1H2*        U  22  83.160  39.220-107.092
  235   2HO*    U  22          2HO*        U  22  85.399  39.775-106.849
  236    H1*    U  22           H1*        U  22  84.482  36.613-107.665
  237    H3     U  22           H3         U  22  82.704  38.854-111.450
  238    H5     U  22           H5         U  22  79.812  36.220-109.882
  239    H6     U  22           H6         U  22  81.198  35.975-107.908
  240   1H5*    U  23          1H5*        U  23  86.491  38.087-106.912
  241   2H5*    U  23          2H5*        U  23  87.298  39.618-107.361
  242    H4*    U  23           H4*        U  23  88.438  37.692-108.364
  243    H3*    U  23           H3*        U  23  88.445  36.740-105.523
  244   1H2*    U  23          1H2*        U  23  90.530  35.771-105.725
  245   2HO*    U  23          2HO*        U  23  90.304  36.115-108.545
  246    H1*    U  23           H1*        U  23  91.698  37.670-107.287
  247    H3     U  23           H3         U  23  93.445  37.279-103.000
  248    H5     U  23           H5         U  23  90.604  40.394-102.942
  249    H6     U  23           H6         U  23  89.883  39.681-105.151
  250   1H5*    U  24          1H5*        U  24  88.585  32.288-106.039
  251   2H5*    U  24          2H5*        U  24  89.622  33.704-106.377
  252    H4*    U  24           H4*        U  24  90.521  31.871-104.794
  253    H3*    U  24           H3*        U  24  88.412  33.190-103.108
  254   1H2*    U  24          1H2*        U  24  89.745  33.070-101.242
  255   2HO*    U  24          2HO*        U  24  91.335  31.141-102.613
  256    H1*    U  24           H1*        U  24  92.203  33.313-102.557
  257    H3     U  24           H3         U  24  91.979  36.429 -99.261
  258    H5     U  24           H5         U  24  89.539  37.950-102.336
  259    H6     U  24           H6         U  24  89.838  35.860-103.528
  260   1H5*    U  25          1H5*        U  25  85.980  29.681-100.660
  261   2H5*    U  25          2H5*        U  25  87.689  29.655-101.062
  262    H4*    U  25           H4*        U  25  87.513  30.030 -98.713
  263    H3*    U  25           H3*        U  25  85.517  32.156 -99.486
  264   1H2*    U  25          1H2*        U  25  86.119  33.385 -97.593
  265   2HO*    U  25          2HO*        U  25  87.259  30.940 -96.715
  266    H1*    U  25           H1*        U  25  88.790  32.839 -97.678
  267    H3     U  25           H3         U  25  88.271  37.312 -98.187
  268    H5     U  25           H5         U  25  87.857  35.678-102.048
  269    H6     U  25           H6         U  25  87.760  33.476-101.039
  270   1H5*    C  26          1H5*        C  26  82.170  31.487 -95.748
  271   2H5*    C  26          2H5*        C  26  83.880  31.114 -95.912
  272    H4*    C  26           H4*        C  26  83.755  32.976 -94.454
  273    H3*    C  26           H3*        C  26  81.773  34.045 -96.453
  274   1H2*    C  26          1H2*        C  26  82.425  36.210 -96.006
  275   2HO*    C  26          2HO*        C  26  83.399  35.151 -93.558
  276    H1*    C  26           H1*        C  26  85.077  35.689 -95.354
  277   1H4     C  26          1H4         C  26  85.405  39.009-100.701
  278   2H4     C  26          2H4         C  26  85.307  37.521-101.620
  279    H5     C  26           H5         C  26  84.708  35.397-100.635
  280    H6     C  26           H6         C  26  84.277  34.211 -98.536
  281   1H5*    C  27          1H5*        C  27  78.793  35.890 -92.307
  282   2H5*    C  27          2H5*        C  27  80.437  35.279 -92.441
  283    H4*    C  27           H4*        C  27  80.622  37.561 -91.813
  284    H3*    C  27           H3*        C  27  78.533  38.007 -93.938
  285   1H2*    C  27          1H2*        C  27  79.404  40.075 -94.465
  286   2HO*    C  27          2HO*        C  27  80.601  39.934 -91.891
  287    H1*    C  27           H1*        C  27  82.088  39.489 -94.000
  288   1H4     C  27          1H4         C  27  81.614  39.806-100.288
  289   2H4     C  27          2H4         C  27  81.261  38.092-100.329
  290    H5     C  27           H5         C  27  80.716  36.812 -98.360
  291    H6     C  27           H6         C  27  80.612  36.849 -95.908
  292   1H5*    G  28          1H5*        G  28  75.747  41.647 -91.316
  293   2H5*    G  28          2H5*        G  28  77.421  41.164 -91.074
  294    H4*    G  28           H4*        G  28  77.522  43.391 -91.856
  295    H3*    G  28           H3*        G  28  75.339  42.507 -93.715
  296   1H2*    G  28          1H2*        G  28  76.091  43.817 -95.450
  297   2HO*    G  28          2HO*        G  28  77.493  45.279 -93.446
  298    H1*    G  28           H1*        G  28  78.805  43.709 -94.949
  299    H8     G  28           H8         G  28  77.314  40.251 -94.954
  300    H1     G  28           H1         G  28  78.601  42.469-100.790
  301   1H2     G  28          1H2         G  28  78.801  45.577 -99.237
  302   2H2     G  28          2H2         G  28  78.902  44.660-100.724
  303   1H5*    A  29          1H5*        A  29  73.300  47.547 -93.487
  304   2H5*    A  29          2H5*        A  29  74.868  46.921 -92.997
  305    H4*    A  29           H4*        A  29  75.363  48.478 -94.687
  306    H3*    A  29           H3*        A  29  72.900  47.374 -96.005
  307   1H2*    A  29          1H2*        A  29  73.759  47.660 -98.133
  308   2HO*    A  29          2HO*        A  29  75.485  49.522 -96.872
  309    H1*    A  29           H1*        A  29  76.406  47.112 -97.607
  310    H8     A  29           H8         A  29  74.216  44.476 -96.056
  311   1H6     A  29          1H6         A  29  74.623  41.522-101.441
  312   2H6     A  29          2H6         A  29  74.255  41.356 -99.739
  313    H2     A  29           H2         A  29  75.973  45.761-102.073
  314   1H5*    G  30          1H5*        G  30  71.629  51.303 -98.700
  315   2H5*    G  30          2H5*        G  30  73.137  50.751 -97.979
  316    H4*    G  30           H4*        G  30  73.240  50.302-100.334
  317    H3*    G  30           H3*        G  30  70.471  49.242 -99.873
  318   1H2*    G  30          1H2*        G  30  70.750  47.488-101.369
  319   2HO*    G  30          2HO*        G  30  72.726  47.476-102.727
  320    H1*    G  30           H1*        G  30  73.336  46.847-100.850
  321    H8     G  30           H8         G  30  71.431  47.449 -97.600
  322    H1     G  30           H1         G  30  70.840  41.594-100.036
  323   1H2     G  30          1H2         G  30  72.075  43.053-102.947
  324   2H2     G  30          2H2         G  30  71.485  41.608-102.157
  325   1H5*    G  31          1H5*        G  31  68.665  51.159-104.640
  326   2H5*    G  31          2H5*        G  31  70.324  50.832-104.147
  327    H4*    G  31           H4*        G  31  69.851  49.318-105.943
  328    H3*    G  31           H3*        G  31  67.246  49.083-104.504
  329   1H2*    G  31          1H2*        G  31  67.018  46.815-104.843
  330   2HO*    G  31          2HO*        G  31  68.544  45.749-106.376
  331    H1*    G  31           H1*        G  31  69.640  46.058-104.628
  332    H8     G  31           H8         G  31  68.687  48.564-101.947
  333    H1     G  31           H1         G  31  67.347  42.514-100.446
  334   1H2     G  31          1H2         G  31  67.745  41.912-103.850
  335   2H2     G  31          2H2         G  31  67.370  41.260-102.271
  336   1H5*    G  32          1H5*        G  32  65.233  46.918-108.926
  337   2H5*    G  32          2H5*        G  32  66.905  47.131-108.435
  338    H4*    G  32           H4*        G  32  66.758  44.833-108.482
  339    H3*    G  32           H3*        G  32  63.910  45.289-107.677
  340   1H2*    G  32          1H2*        G  32  63.734  43.342-106.521
  341   2HO*    G  32          2HO*        G  32  65.397  41.647-106.827
  342    H1*    G  32           H1*        G  32  66.355  43.127-105.634
  343    H8     G  32           H8         G  32  64.817  46.479-104.931
  344    H1     G  32           H1         G  32  63.346  42.115-100.551
  345   1H2     G  32          1H2         G  32  64.347  39.796-102.936
  346   2H2     G  32          2H2         G  32  63.705  40.085-101.332
  347   1H5*    U  33          1H5*        U  33  64.713  40.638-110.022
  348   2H5*    U  33          2H5*        U  33  62.997  40.649-109.518
  349    H4*    U  33           H4*        U  33  63.931  38.951-111.381
  350    H3*    U  33           H3*        U  33  64.243  41.252-112.810
  351   1H2*    U  33          1H2*        U  33  62.119  42.090-112.723
  352   2HO*    U  33          2HO*        U  33  60.994  41.490-114.638
  353    H1*    U  33           H1*        U  33  60.727  39.466-113.028
  354    H3     U  33           H3         U  33  56.945  41.721-112.211
  355    H5     U  33           H5         U  33  59.523  43.077-109.164
  356    H6     U  33           H6         U  33  61.292  41.750-110.162
  357   1H5*    C  34          1H5*        C  34  66.747  37.655-114.202
  358   2H5*    C  34          2H5*        C  34  67.149  38.469-115.745
  359    H4*    C  34           H4*        C  34  69.216  38.044-114.573
  360    H3*    C  34           H3*        C  34  67.674  39.091-112.230
  361   1H2*    C  34          1H2*        C  34  69.381  40.368-111.407
  362   2HO*    C  34          2HO*        C  34  71.163  38.881-113.072
  363    H1*    C  34           H1*        C  34  70.587  41.162-113.749
  364   1H4     C  34          1H4         C  34  65.692  44.959-111.371
  365   2H4     C  34          2H4         C  34  67.115  45.971-111.484
  366    H5     C  34           H5         C  34  65.672  42.630-112.059
  367    H6     C  34           H6         C  34  66.966  40.820-112.984
  368   1H5*    A  35          1H5*        A  35  72.073  36.503-110.834
  369   2H5*    A  35          2H5*        A  35  70.994  37.420-111.923
  370    H4*    A  35           H4*        A  35  72.641  38.972-111.546
  371    H3*    A  35           H3*        A  35  73.382  37.369-109.368
  372   1H2*    A  35          1H2*        A  35  72.335  38.407-107.686
  373   2HO*    A  35          2HO*        A  35  74.235  40.454-108.312
  374    H1*    A  35           H1*        A  35  72.114  41.110-108.892
  375    H8     A  35           H8         A  35  69.094  39.244-109.202
  376   1H6     A  35          1H6         A  35  66.952  39.793-104.926
  377   2H6     A  35          2H6         A  35  67.506  40.386-103.378
  378    H2     A  35           H2         A  35  71.842  41.496-103.882
  379   1H5*    U  36          1H5*        U  36  77.752  40.743-110.477
  380   2H5*    U  36          2H5*        U  36  76.021  40.669-110.757
  381    H4*    U  36           H4*        U  36  76.429  42.863-110.031
  382    H3*    U  36           H3*        U  36  78.266  41.568-108.032
  383   1H2*    U  36          1H2*        U  36  77.853  43.232-106.489
  384   2HO*    U  36          2HO*        U  36  77.240  44.746-108.779
  385    H1*    U  36           H1*        U  36  75.219  43.769-107.185
  386    H3     U  36           H3         U  36  75.476  42.723-102.757
  387    H5     U  36           H5         U  36  75.076  39.073-104.812
  388    H6     U  36           H6         U  36  75.486  40.255-106.886
  389   1H5*    C  37          1H5*        C  37  81.574  45.575-108.674
  390   2H5*    C  37          2H5*        C  37  79.926  45.108-109.085
  391    H4*    C  37           H4*        C  37  79.847  46.516-107.144
  392    H3*    C  37           H3*        C  37  81.940  44.624-106.074
  393   1H2*    C  37          1H2*        C  37  81.131  44.907-103.930
  394   2HO*    C  37          2HO*        C  37  79.724  46.682-103.413
  395    H1*    C  37           H1*        C  37  78.449  45.299-104.620
  396   1H4     C  37          1H4         C  37  78.739  39.809-101.526
  397   2H4     C  37          2H4         C  37  78.867  38.979-103.062
  398    H5     C  37           H5         C  37  79.315  40.116-105.138
  399    H6     C  37           H6         C  37  79.501  42.300-106.218
  400   1H5*    G  38          1H5*        G  38  85.236  48.637-104.321
  401   2H5*    G  38          2H5*        G  38  83.535  48.811-104.736
  402    H4*    G  38           H4*        G  38  83.706  49.460-102.461
  403    H3*    G  38           H3*        G  38  85.574  47.122-102.285
  404   1H2*    G  38          1H2*        G  38  84.886  46.507-100.177
  405   2HO*    G  38          2HO*        G  38  83.851  49.153-100.026
  406    H1*    G  38           H1*        G  38  82.218  47.064-100.388
  407    H8     G  38           H8         G  38  83.466  45.376-103.527
  408    H1     G  38           H1         G  38  81.980  41.301 -98.859
  409   1H2     G  38          1H2         G  38  82.127  44.092 -96.783
  410   2H2     G  38          2H2         G  38  81.864  42.369 -96.921
  411   1H5*    G  39          1H5*        G  39  88.195  49.255 -98.355
  412   2H5*    G  39          2H5*        G  39  86.611  49.476 -99.086
  413    H4*    G  39           H4*        G  39  86.270  48.384 -96.993
  414    H3*    G  39           H3*        G  39  88.501  46.579 -97.916
  415   1H2*    G  39          1H2*        G  39  87.576  44.788 -96.779
  416   2HO*    G  39          2HO*        G  39  85.853  45.123 -95.243
  417    H1*    G  39           H1*        G  39  84.928  45.398 -97.225
  418    H8     G  39           H8         G  39  86.776  45.597-100.480
  419    H1     G  39           H1         G  39  85.395  39.620 -98.737
  420   1H2     G  39          1H2         G  39  84.902  39.555 -96.576
  421   2H2     G  39          2H2         G  39  84.900  40.986 -95.570
  422   1H5*    A  40          1H5*        A  40  91.193  46.409 -93.242
  423   2H5*    A  40          2H5*        A  40  89.522  46.936 -93.405
  424    H4*    A  40           H4*        A  40  89.274  45.052 -92.082
  425    H3*    A  40           H3*        A  40  91.669  44.052 -93.572
  426   1H2*    A  40          1H2*        A  40  91.006  41.862 -93.507
  427   2HO*    A  40          2HO*        A  40  89.440  41.146 -91.939
  428    H1*    A  40           H1*        A  40  88.244  42.230 -93.409
  429    H8     A  40           H8         A  40  89.694  43.914 -96.430
  430   1H6     A  40          1H6         A  40  88.727  38.569 -99.329
  431   2H6     A  40          2H6         A  40  88.960  40.290 -99.535
  432    H2     A  40           H2         A  40  88.593  37.799 -94.898
  433   1H5*    A  41          1H5*        A  41  91.807  41.477 -88.826
  434   2H5*    A  41          2H5*        A  41  90.545  42.264 -89.819
  435    H4*    A  41           H4*        A  41  89.786  40.042 -89.225
  436    H3*    A  41           H3*        A  41  92.543  39.275 -90.086
  437   1H2*    A  41          1H2*        A  41  91.888  37.368 -91.182
  438   2HO*    A  41          2HO*        A  41  89.391  37.553 -89.812
  439    H1*    A  41           H1*        A  41  89.489  38.196 -92.181
  440    H8     A  41           H8         A  41  92.435  40.610 -92.408
  441   1H6     A  41          1H6         A  41  94.219  39.234 -96.678
  442   2H6     A  41          2H6         A  41  93.848  37.909 -97.756
  443    H2     A  41           H2         A  41  90.510  35.582 -95.856
  444   1H5*    C  42          1H5*        C  42  92.622  35.245 -87.245
  445   2H5*    C  42          2H5*        C  42  91.511  35.595 -88.601
  446    H4*    C  42           H4*        C  42  92.648  33.347 -88.704
  447    H3*    C  42           H3*        C  42  95.032  35.156 -88.790
  448   1H2*    C  42          1H2*        C  42  96.034  34.020 -90.470
  449   2HO*    C  42          2HO*        C  42  95.560  31.838 -90.943
  450    H1*    C  42           H1*        C  42  93.835  33.035 -91.787
  451   1H4     C  42          1H4         C  42  96.230  37.397 -95.699
  452   2H4     C  42          2H4         C  42  96.002  38.663 -94.514
  453    H5     C  42           H5         C  42  95.121  38.263 -92.310
  454    H6     C  42           H6         C  42  94.293  36.558 -90.754
  455   1H5*    C  43          1H5*        C  43  97.887  31.139 -87.808
  456   2H5*    C  43          2H5*        C  43  96.527  31.360 -88.946
  457    H4*    C  43           H4*        C  43  98.645  30.450 -89.970
  458    H3*    C  43           H3*        C  43  99.615  33.113 -89.002
  459   1H2*    C  43          1H2*        C  43 100.789  33.548 -90.918
  460   2HO*    C  43          2HO*        C  43 100.681  30.758 -91.503
  461    H1*    C  43           H1*        C  43  99.181  32.118 -92.734
  462   1H4     C  43          1H4         C  43  98.342  38.276 -94.043
  463   2H4     C  43          2H4         C  43  97.615  38.558 -92.477
  464    H5     C  43           H5         C  43  97.408  36.852 -90.792
  465    H6     C  43           H6         C  43  97.810  34.488 -90.258
  466   1H5*    A  44          1H5*        A  44 102.626  28.779 -86.412
  467   2H5*    A  44          2H5*        A  44 101.612  28.945 -87.877
  468    H4*    A  44           H4*        A  44 103.831  28.039 -88.423
  469    H3*    A  44           H3*        A  44 104.698  30.194 -86.654
  470   1H2*    A  44          1H2*        A  44 105.625  31.548 -88.149
  471   2HO*    A  44          2HO*        A  44 106.990  29.226 -89.098
  472    H1*    A  44           H1*        A  44 105.367  29.820 -90.532
  473    H8     A  44           H8         A  44 102.575  32.182 -89.844
  474   1H6     A  44          1H6         A  44 104.096  36.052 -92.307
  475   2H6     A  44          2H6         A  44 105.618  36.462 -93.065
  476    H2     A  44           H2         A  44 108.398  33.000 -92.369
  477    H3T    A  44           H3T        A  44 106.603  28.910 -86.732
   
  Start of MODEL   21
    1   1H5*    G   1          1H5*        G   1  61.559  38.107-111.627
    2   2H5*    G   1          2H5*        G   1  62.044  39.444-110.551
    3    H4*    G   1           H4*        G   1  62.053  36.804-109.846
    4    H3*    G   1           H3*        G   1  59.348  37.942-109.270
    5   1H2*    G   1          1H2*        G   1  59.305  37.165-107.086
    6   2HO*    G   1          2HO*        G   1  61.013  35.275-108.127
    7    H1*    G   1           H1*        G   1  61.881  37.605-106.431
    8    H8     G   1           H8         G   1  61.027  40.607-108.392
    9    H1     G   1           H1         G   1  59.186  40.980-102.309
   10   1H2     G   1          1H2         G   1  59.442  37.509-102.328
   11   2H2     G   1          2H2         G   1  59.054  38.956-101.425
   12    H5T    G   1           H5T        G   1  60.123  40.154-110.648
   13   1H5*    G   2          1H5*        G   2  56.315  34.556-108.276
   14   2H5*    G   2          2H5*        G   2  58.054  34.551-108.039
   15    H4*    G   2           H4*        G   2  57.313  35.007-105.910
   16    H3*    G   2           H3*        G   2  55.080  36.518-107.244
   17   1H2*    G   2          1H2*        G   2  54.843  37.874-105.383
   18   2HO*    G   2          2HO*        G   2  55.923  35.640-104.027
   19    H1*    G   2           H1*        G   2  57.494  37.676-104.454
   20    H8     G   2           H8         G   2  57.421  39.332-107.790
   21    H1     G   2           H1         G   2  55.702  43.180-103.013
   22   1H2     G   2          1H2         G   2  55.260  40.221-101.224
   23   2H2     G   2          2H2         G   2  55.173  41.969-101.231
   24   1H5*    G   3          1H5*        G   3  51.120  34.180-104.254
   25   2H5*    G   3          2H5*        G   3  52.836  33.971-103.918
   26    H4*    G   3           H4*        G   3  52.142  35.056-101.988
   27    H3*    G   3           H3*        G   3  50.121  36.272-103.819
   28   1H2*    G   3          1H2*        G   3  50.058  38.282-102.748
   29   2HO*    G   3          2HO*        G   3  51.010  38.369-100.505
   30    H1*    G   3           H1*        G   3  52.609  38.315-101.662
   31    H8     G   3           H8         G   3  52.658  37.943-105.406
   32    H1     G   3           H1         G   3  52.065  43.963-103.391
   33   1H2     G   3          1H2         G   3  51.210  42.523-100.340
   34   2H2     G   3          2H2         G   3  51.445  43.987-101.267
   35   1H5*    A   4          1H5*        A   4  46.130  36.178 -99.996
   36   2H5*    A   4          2H5*        A   4  47.765  35.843 -99.440
   37    H4*    A   4           H4*        A   4  47.218  37.590 -98.043
   38    H3*    A   4           H3*        A   4  45.414  38.444-100.280
   39   1H2*    A   4          1H2*        A   4  45.578  40.680 -99.795
   40   2HO*    A   4          2HO*        A   4  46.426  39.799 -97.230
   41    H1*    A   4           H1*        A   4  48.190  40.776 -98.951
   42    H8     A   4           H8         A   4  47.922  38.775-102.103
   43   1H6     A   4          1H6         A   4  48.516  44.103-105.129
   44   2H6     A   4          2H6         A   4  48.627  42.362-105.258
   45    H2     A   4           H2         A   4  47.547  45.028-100.838
   46   1H5*    G   5          1H5*        G   5  41.314  40.277 -97.956
   47   2H5*    G   5          2H5*        G   5  42.894  40.190 -97.194
   48    H4*    G   5           H4*        G   5  42.682  42.467 -97.492
   49    H3*    G   5           H3*        G   5  41.063  41.716 -99.894
   50   1H2*    G   5          1H2*        G   5  41.640  43.612-101.060
   51   2HO*    G   5          2HO*        G   5  42.532  45.464 -99.905
   52    H1*    G   5           H1*        G   5  44.164  44.052 -99.901
   53    H8     G   5           H8         G   5  44.039  40.641-101.418
   54    H1     G   5           H1         G   5  45.139  45.241-105.687
   55   1H2     G   5          1H2         G   5  44.600  47.221-104.863
   56   2H2     G   5          2H2         G   5  43.966  47.412-103.238
   57   1H5*    C   6          1H5*        C   6  36.619  43.359 -99.444
   58   2H5*    C   6          2H5*        C   6  37.710  44.543-100.219
   59    H4*    C   6           H4*        C   6  35.822  43.863-101.684
   60    H3*    C   6           H3*        C   6  36.983  41.165-101.138
   61   1H2*    C   6          1H2*        C   6  36.839  40.462-103.306
   62   2HO*    C   6          2HO*        C   6  35.333  42.230-104.575
   63    H1*    C   6           H1*        C   6  37.057  42.936-104.611
   64   1H4     C   6          1H4         C   6  42.417  39.834-105.969
   65   2H4     C   6          2H4         C   6  42.680  39.427-104.289
   66    H5     C   6           H5         C   6  41.175  40.065-102.533
   67    H6     C   6           H6         C   6  39.156  41.331-101.968
   68   1H5*    U   7          1H5*        U   7  32.470  38.592-102.187
   69   2H5*    U   7          2H5*        U   7  32.924  40.179-102.879
   70    H4*    U   7           H4*        U   7  32.781  38.881-104.792
   71    H3*    U   7           H3*        U   7  33.612  36.650-102.987
   72   1H2*    U   7          1H2*        U   7  34.813  35.535-104.594
   73   2HO*    U   7          2HO*        U   7  34.026  36.756-106.876
   74    H1*    U   7           H1*        U   7  35.472  37.727-106.245
   75    H3     U   7           H3         U   7  39.542  36.013-105.590
   76    H5     U   7           H5         U   7  38.300  36.972-101.680
   77    H6     U   7           H6         U   7  36.153  37.630-102.586
   78   1H5*    C   8          1H5*        C   8  33.416  33.526-103.654
   79   2H5*    C   8          2H5*        C   8  32.012  32.621-103.010
   80    H4*    C   8           H4*        C   8  32.928  31.058-104.449
   81    H3*    C   8           H3*        C   8  33.815  33.448-106.015
   82   1H2*    C   8          1H2*        C   8  33.653  32.410-108.035
   83   2HO*    C   8          2HO*        C   8  34.287  30.184-106.528
   84    H1*    C   8           H1*        C   8  31.569  30.645-107.478
   85   1H4     C   8          1H4         C   8  29.234  34.999-111.422
   86   2H4     C   8          2H4         C   8  29.155  36.162-110.118
   87    H5     C   8           H5         C   8  29.973  35.695-107.896
   88    H6     C   8           H6         C   8  31.088  34.090-106.465
   89   1H5*    A   9          1H5*        A   9  36.980  31.042-108.403
   90   2H5*    A   9          2H5*        A   9  35.215  31.005-108.658
   91    H4*    A   9           H4*        A   9  36.712  31.374-110.709
   92    H3*    A   9           H3*        A   9  37.080  33.953-109.223
   93   1H2*    A   9          1H2*        A   9  36.868  35.211-111.138
   94   2HO*    A   9          2HO*        A   9  37.974  32.945-112.298
   95    H1*    A   9           H1*        A   9  35.170  33.491-112.572
   96    H8     A   9           H8         A   9  33.190  34.162-109.673
   97   1H6     A   9          1H6         A   9  32.370  39.995-111.412
   98   2H6     A   9          2H6         A   9  31.796  38.715-110.367
   99    H2     A   9           H2         A   9  35.790  38.305-113.790
  100   1H5*    A  10          1H5*        A  10  42.031  34.488-111.405
  101   2H5*    A  10          2H5*        A  10  40.643  33.478-111.913
  102    H4*    A  10           H4*        A  10  40.769  34.953-113.692
  103    H3*    A  10           H3*        A  10  41.898  36.851-111.686
  104   1H2*    A  10          1H2*        A  10  40.963  38.711-112.623
  105   2HO*    A  10          2HO*        A  10  41.290  38.836-114.695
  106    H1*    A  10           H1*        A  10  38.608  37.650-113.591
  107    H8     A  10           H8         A  10  38.933  36.518-110.057
  108   1H6     A  10          1H6         A  10  37.370  42.198-108.266
  109   2H6     A  10          2H6         A  10  37.585  40.541-107.748
  110    H2     A  10           H2         A  10  38.316  42.310-112.660
  111   1H5*    C  11          1H5*        C  11  45.028  39.532-114.780
  112   2H5*    C  11          2H5*        C  11  43.559  38.648-115.293
  113    H4*    C  11           H4*        C  11  42.978  40.907-115.573
  114    H3*    C  11           H3*        C  11  44.617  41.282-113.109
  115   1H2*    C  11          1H2*        C  11  43.308  42.893-112.222
  116   2HO*    C  11          2HO*        C  11  43.246  44.337-113.908
  117    H1*    C  11           H1*        C  11  40.844  42.157-113.282
  118   1H4     C  11          1H4         C  11  41.911  39.652-107.240
  119   2H4     C  11          2H4         C  11  40.767  40.961-107.036
  120    H5     C  11           H5         C  11  42.893  39.077-109.359
  121    H6     C  11           H6         C  11  43.047  39.684-111.730
  122   1H5*    U  12          1H5*        U  12  45.898  45.972-114.852
  123   2H5*    U  12          2H5*        U  12  44.606  46.372-116.019
  124    H4*    U  12           H4*        U  12  44.438  48.208-114.674
  125    H3*    U  12           H3*        U  12  45.541  46.458-112.482
  126   1H2*    U  12          1H2*        U  12  44.510  47.730-110.849
  127   2HO*    U  12          2HO*        U  12  43.584  49.891-112.009
  128    H1*    U  12           H1*        U  12  42.290  48.598-112.355
  129    H3     U  12           H3         U  12  39.919  46.686-109.123
  130    H5     U  12           H5         U  12  42.984  43.871-109.743
  131    H6     U  12           H6         U  12  43.791  45.242-111.584
  132   1H5*    C  13          1H5*        C  13  48.221  51.070-111.720
  133   2H5*    C  13          2H5*        C  13  46.779  50.340-112.421
  134    H4*    C  13           H4*        C  13  46.137  51.861-110.638
  135    H3*    C  13           H3*        C  13  48.219  50.332-109.128
  136   1H2*    C  13          1H2*        C  13  46.992  50.274-107.175
  137   2HO*    C  13          2HO*        C  13  45.645  52.476-108.309
  138    H1*    C  13           H1*        C  13  44.516  49.953-108.195
  139   1H4     C  13          1H4         C  13  46.040  44.000-106.748
  140   2H4     C  13          2H4         C  13  46.742  43.810-108.339
  141    H5     C  13           H5         C  13  47.170  45.662-109.818
  142    H6     C  13           H6         C  13  46.830  48.057-110.175
  143   1H5*    U  14          1H5*        U  14  49.979  53.409-105.622
  144   2H5*    U  14          2H5*        U  14  48.312  53.645-106.134
  145    H4*    U  14           H4*        U  14  47.976  52.919-103.984
  146    H3*    U  14           H3*        U  14  50.521  51.367-104.370
  147   1H2*    U  14          1H2*        U  14  49.877  49.757-102.850
  148   2HO*    U  14          2HO*        U  14  48.049  51.720-101.890
  149    H1*    U  14           H1*        U  14  47.133  49.832-103.317
  150    H3     U  14           H3         U  14  48.461  45.560-103.982
  151    H5     U  14           H5         U  14  49.497  47.585-107.527
  152    H6     U  14           H6         U  14  49.040  49.672-106.390
  153   1H5*    C  15          1H5*        C  15  52.170  52.172 -99.477
  154   2H5*    C  15          2H5*        C  15  50.604  52.450-100.225
  155    H4*    C  15           H4*        C  15  50.174  50.601 -98.907
  156    H3*    C  15           H3*        C  15  53.014  49.862 -99.529
  157   1H2*    C  15          1H2*        C  15  52.586  47.611 -99.361
  158   2HO*    C  15          2HO*        C  15  50.476  48.456 -97.703
  159    H1*    C  15           H1*        C  15  49.946  47.631-100.203
  160   1H4     C  15          1H4         C  15  52.820  44.749-104.986
  161   2H4     C  15          2H4         C  15  53.099  46.306-105.739
  162    H5     C  15           H5         C  15  52.787  48.404-104.585
  163    H6     C  15           H6         C  15  51.978  49.460-102.529
  164   1H5*    C  16          1H5*        C  16  54.448  47.725 -95.184
  165   2H5*    C  16          2H5*        C  16  52.803  48.067 -95.698
  166    H4*    C  16           H4*        C  16  52.902  45.777 -95.965
  167    H3*    C  16           H3*        C  16  55.780  46.245 -96.701
  168   1H2*    C  16          1H2*        C  16  55.805  44.355 -98.008
  169   2HO*    C  16          2HO*        C  16  53.720  43.509 -96.316
  170    H1*    C  16           H1*        C  16  53.144  44.315 -98.721
  171   1H4     C  16          1H4         C  16  56.256  46.802-103.879
  172   2H4     C  16          2H4         C  16  56.301  45.064-104.098
  173    H5     C  16           H5         C  16  55.568  47.858-101.807
  174    H6     C  16           H6         C  16  54.639  47.462 -99.568
  175   1H5*    C  17          1H5*        C  17  57.737  42.174 -93.740
  176   2H5*    C  17          2H5*        C  17  56.028  42.426 -94.065
  177    H4*    C  17           H4*        C  17  56.372  40.410 -95.130
  178    H3*    C  17           H3*        C  17  59.153  41.437 -95.554
  179   1H2*    C  17          1H2*        C  17  59.440  40.276 -97.518
  180   2HO*    C  17          2HO*        C  17  57.617  38.518 -96.324
  181    H1*    C  17           H1*        C  17  56.762  40.195 -98.350
  182   1H4     C  17          1H4         C  17  59.100  45.288-101.651
  183   2H4     C  17          2H4         C  17  59.421  43.898-102.665
  184    H5     C  17           H5         C  17  58.406  45.107 -99.347
  185    H6     C  17           H6         C  17  57.741  43.554 -97.568
  186   1H5*    C  18          1H5*        C  18  61.285  36.715 -94.671
  187   2H5*    C  18          2H5*        C  18  59.666  37.290 -95.052
  188    H4*    C  18           H4*        C  18  60.430  36.303 -97.042
  189    H3*    C  18           H3*        C  18  63.038  37.586 -96.307
  190   1H2*    C  18          1H2*        C  18  63.622  37.962 -98.491
  191   2HO*    C  18          2HO*        C  18  62.623  36.806-100.227
  192    H1*    C  18           H1*        C  18  61.058  38.292 -99.562
  193   1H4     C  18          1H4         C  18  63.502  44.094 -99.863
  194   2H4     C  18          2H4         C  18  62.874  44.416 -98.262
  195    H5     C  18           H5         C  18  62.042  42.690 -96.802
  196    H6     C  18           H6         C  18  61.438  40.323 -96.636
  197   1H5*    C  19          1H5*        C  19  65.717  33.615 -98.538
  198   2H5*    C  19          2H5*        C  19  64.033  34.124 -98.570
  199    H4*    C  19           H4*        C  19  64.808  34.698-100.698
  200    H3*    C  19           H3*        C  19  67.339  35.326 -99.237
  201   1H2*    C  19          1H2*        C  19  67.897  37.074-100.603
  202   2HO*    C  19          2HO*        C  19  66.801  37.266-102.722
  203    H1*    C  19           H1*        C  19  65.346  37.849-101.393
  204   1H4     C  19          1H4         C  19  67.212  42.786 -97.990
  205   2H4     C  19          2H4         C  19  66.652  41.987 -96.535
  206    H5     C  19           H5         C  19  66.047  39.648 -96.461
  207    H6     C  19           H6         C  19  65.649  37.636 -97.801
  208   1H5*    C  20          1H5*        C  20  70.660  33.772-103.180
  209   2H5*    C  20          2H5*        C  20  68.971  34.005-103.605
  210    H4*    C  20           H4*        C  20  69.980  35.501-105.045
  211    H3*    C  20           H3*        C  20  72.057  35.660-102.906
  212   1H2*    C  20          1H2*        C  20  72.614  37.814-103.307
  213   2HO*    C  20          2HO*        C  20  71.687  38.797-105.376
  214    H1*    C  20           H1*        C  20  70.186  38.801-104.104
  215   1H4     C  20          1H4         C  20  70.800  41.032 -98.263
  216   2H4     C  20          2H4         C  20  70.161  39.529 -97.626
  217    H5     C  20           H5         C  20  69.875  37.553 -98.988
  218    H6     C  20           H6         C  20  69.901  36.653-101.278
  219   1H5*    C  21          1H5*        C  21  75.477  35.897-105.215
  220   2H5*    C  21          2H5*        C  21  74.354  36.842-104.194
  221    H4*    C  21           H4*        C  21  77.063  36.970-104.017
  222    H3*    C  21           H3*        C  21  76.124  34.712-102.298
  223   1H2*    C  21          1H2*        C  21  77.226  35.464-100.417
  224   2HO*    C  21          2HO*        C  21  79.162  35.732-102.048
  225    H1*    C  21           H1*        C  21  77.389  38.214-101.114
  226   1H4     C  21          1H4         C  21  74.248  37.666 -95.635
  227   2H4     C  21          2H4         C  21  72.878  38.327 -96.498
  228    H5     C  21           H5         C  21  72.860  38.643 -98.879
  229    H6     C  21           H6         C  21  74.066  38.258-100.988
  230   1H5*    U  22          1H5*        U  22  79.889  33.769-106.281
  231   2H5*    U  22          2H5*        U  22  79.740  35.223-107.314
  232    H4*    U  22           H4*        U  22  80.807  36.581-105.556
  233    H3*    U  22           H3*        U  22  82.063  34.640-107.176
  234   1H2*    U  22          1H2*        U  22  82.718  33.148-105.609
  235   2HO*    U  22          2HO*        U  22  84.674  33.846-104.503
  236    H1*    U  22           H1*        U  22  82.861  35.049-103.328
  237    H3     U  22           H3         U  22  83.867  30.817-101.744
  238    H5     U  22           H5         U  22  79.685  30.946-102.247
  239    H6     U  22           H6         U  22  79.953  33.054-103.408
  240   1H5*    U  23          1H5*        U  23  85.820  34.231-107.372
  241   2H5*    U  23          2H5*        U  23  86.349  35.256-108.738
  242    H4*    U  23           H4*        U  23  88.382  34.710-107.744
  243    H3*    U  23           H3*        U  23  86.777  34.650-105.238
  244   1H2*    U  23          1H2*        U  23  88.357  35.492-103.907
  245   2HO*    U  23          2HO*        U  23  89.892  33.847-104.703
  246    H1*    U  23           H1*        U  23  89.807  37.026-105.679
  247    H3     U  23           H3         U  23  88.517  39.782-102.311
  248    H5     U  23           H5         U  23  84.955  38.982-104.420
  249    H6     U  23           H6         U  23  86.189  37.392-105.769
  250   1H5*    U  24          1H5*        U  24  89.639  30.363-104.166
  251   2H5*    U  24          2H5*        U  24  90.019  32.034-104.679
  252    H4*    U  24           H4*        U  24  91.103  30.823-102.507
  253    H3*    U  24           H3*        U  24  88.565  32.171-101.634
  254   1H2*    U  24          1H2*        U  24  89.582  33.020 -99.773
  255   2HO*    U  24          2HO*        U  24  91.981  31.930 -99.645
  256    H1*    U  24           H1*        U  24  92.111  33.374-100.837
  257    H3     U  24           H3         U  24  91.374  37.670 -99.897
  258    H5     U  24           H5         U  24  87.773  36.518-101.755
  259    H6     U  24           H6         U  24  88.742  34.314-102.109
  260   1H5*    U  25          1H5*        U  25  86.336  29.103 -98.100
  261   2H5*    U  25          2H5*        U  25  88.038  28.793 -98.399
  262    H4*    U  25           H4*        U  25  88.095  29.473 -96.200
  263    H3*    U  25           H3*        U  25  85.850  31.309 -96.954
  264   1H2*    U  25          1H2*        U  25  86.335  32.661 -95.128
  265   2HO*    U  25          2HO*        U  25  87.620  30.350 -94.170
  266    H1*    U  25           H1*        U  25  89.049  32.378 -95.272
  267    H3     U  25           H3         U  25  87.989  36.788 -95.659
  268    H5     U  25           H5         U  25  87.673  35.194 -99.542
  269    H6     U  25           H6         U  25  87.880  32.974 -98.586
  270   1H5*    C  26          1H5*        C  26  82.299  30.523 -92.635
  271   2H5*    C  26          2H5*        C  26  83.771  30.463 -91.715
  272    H4*    C  26           H4*        C  26  83.626  32.679 -91.835
  273    H3*    C  26           H3*        C  26  82.042  32.435 -94.396
  274   1H2*    C  26          1H2*        C  26  82.303  34.770 -94.536
  275   2HO*    C  26          2HO*        C  26  83.520  35.243 -92.140
  276    H1*    C  26           H1*        C  26  84.804  34.826 -93.298
  277   1H4     C  26          1H4         C  26  85.667  36.926 -99.185
  278   2H4     C  26          2H4         C  26  85.525  35.301 -99.830
  279    H5     C  26           H5         C  26  84.827  33.396 -98.485
  280    H6     C  26           H6         C  26  84.282  32.646 -96.211
  281   1H5*    C  27          1H5*        C  27  78.306  35.284 -91.368
  282   2H5*    C  27          2H5*        C  27  79.888  34.593 -91.022
  283    H4*    C  27           H4*        C  27  80.279  36.865 -90.740
  284    H3*    C  27           H3*        C  27  78.257  37.183 -92.932
  285   1H2*    C  27          1H2*        C  27  79.230  39.082 -93.764
  286   2HO*    C  27          2HO*        C  27  80.670  40.360 -92.497
  287    H1*    C  27           H1*        C  27  81.891  38.526 -93.068
  288   1H4     C  27          1H4         C  27  81.824  38.118 -99.353
  289   2H4     C  27          2H4         C  27  81.465  36.410 -99.214
  290    H5     C  27           H5         C  27  80.775  35.372 -97.143
  291    H6     C  27           H6         C  27  80.461  35.717 -94.733
  292   1H5*    G  28          1H5*        G  28  75.748  41.470 -91.258
  293   2H5*    G  28          2H5*        G  28  77.337  40.999 -90.674
  294    H4*    G  28           H4*        G  28  77.863  42.921 -91.834
  295    H3*    G  28           H3*        G  28  75.520  42.175 -93.537
  296   1H2*    G  28          1H2*        G  28  76.395  43.084 -95.451
  297   2HO*    G  28          2HO*        G  28  78.238  44.606 -95.248
  298    H1*    G  28           H1*        G  28  79.115  42.779 -94.879
  299    H8     G  28           H8         G  28  77.309  39.481 -94.703
  300    H1     G  28           H1         G  28  78.963  41.197-100.617
  301   1H2     G  28          1H2         G  28  79.344  44.379 -99.242
  302   2H2     G  28          2H2         G  28  79.426  43.368-100.668
  303   1H5*    A  29          1H5*        A  29  74.125  47.544 -93.788
  304   2H5*    A  29          2H5*        A  29  75.604  46.897 -93.087
  305    H4*    A  29           H4*        A  29  76.462  48.264 -94.749
  306    H3*    A  29           H3*        A  29  73.912  47.592 -96.155
  307   1H2*    A  29          1H2*        A  29  74.817  47.696 -98.260
  308   2HO*    A  29          2HO*        A  29  76.688  49.404 -97.023
  309    H1*    A  29           H1*        A  29  77.400  46.844 -97.683
  310    H8     A  29           H8         A  29  74.892  44.457 -96.236
  311   1H6     A  29          1H6         A  29  75.188  41.488-101.618
  312   2H6     A  29          2H6         A  29  74.753  41.357 -99.928
  313    H2     A  29           H2         A  29  76.968  45.578-102.181
  314   1H5*    G  30          1H5*        G  30  72.622  51.365 -98.927
  315   2H5*    G  30          2H5*        G  30  74.261  51.081 -98.354
  316    H4*    G  30           H4*        G  30  74.374  50.349-100.559
  317    H3*    G  30           H3*        G  30  71.529  49.538-100.096
  318   1H2*    G  30          1H2*        G  30  71.639  47.707-101.482
  319   2HO*    G  30          2HO*        G  30  73.507  47.459-102.925
  320    H1*    G  30           H1*        G  30  74.207  46.898-100.990
  321    H8     G  30           H8         G  30  72.432  47.695 -97.738
  322    H1     G  30           H1         G  30  71.217  41.888-100.066
  323   1H2     G  30          1H2         G  30  72.480  43.207-103.035
  324   2H2     G  30          2H2         G  30  71.786  41.830-102.212
  325   1H5*    G  31          1H5*        G  31  69.877  50.723-104.950
  326   2H5*    G  31          2H5*        G  31  71.494  50.510-104.285
  327    H4*    G  31           H4*        G  31  71.149  48.526-105.462
  328    H3*    G  31           H3*        G  31  68.316  48.868-104.564
  329   1H2*    G  31          1H2*        G  31  67.929  46.613-104.351
  330   2HO*    G  31          2HO*        G  31  69.495  45.105-105.396
  331    H1*    G  31           H1*        G  31  70.548  45.785-103.760
  332    H8     G  31           H8         G  31  69.382  48.380-101.299
  333    H1     G  31           H1         G  31  67.400  42.475 -99.926
  334   1H2     G  31          1H2         G  31  68.176  41.779-103.247
  335   2H2     G  31          2H2         G  31  67.558  41.189-101.722
  336   1H5*    G  32          1H5*        G  32  66.637  46.741-109.387
  337   2H5*    G  32          2H5*        G  32  68.302  46.717-108.825
  338    H4*    G  32           H4*        G  32  67.929  44.459-109.114
  339    H3*    G  32           H3*        G  32  65.095  45.197-108.527
  340   1H2*    G  32          1H2*        G  32  64.565  43.204-107.527
  341   2HO*    G  32          2HO*        G  32  66.770  42.190-109.004
  342    H1*    G  32           H1*        G  32  67.019  42.585-106.404
  343    H8     G  32           H8         G  32  66.012  46.135-105.676
  344    H1     G  32           H1         G  32  63.625  41.961-101.499
  345   1H2     G  32          1H2         G  32  64.458  39.555-103.868
  346   2H2     G  32          2H2         G  32  63.761  39.908-102.300
  347   1H5*    U  33          1H5*        U  33  62.668  42.003-110.470
  348   2H5*    U  33          2H5*        U  33  61.931  43.514-111.087
  349    H4*    U  33           H4*        U  33  61.394  41.038-112.079
  350    H3*    U  33           H3*        U  33  63.973  41.543-113.086
  351   1H2*    U  33          1H2*        U  33  63.500  43.107-114.664
  352   2HO*    U  33          2HO*        U  33  63.149  40.634-115.661
  353    H1*    U  33           H1*        U  33  60.696  42.257-115.176
  354    H3     U  33           H3         U  33  61.080  45.996-117.760
  355    H5     U  33           H5         U  33  61.403  47.377-113.791
  356    H6     U  33           H6         U  33  61.488  45.063-113.063
  357   1H5*    C  34          1H5*        C  34  65.471  39.479-111.006
  358   2H5*    C  34          2H5*        C  34  65.095  37.952-111.857
  359    H4*    C  34           H4*        C  34  67.309  37.563-111.887
  360    H3*    C  34           H3*        C  34  67.414  40.399-110.970
  361   1H2*    C  34          1H2*        C  34  69.599  40.754-111.675
  362   2HO*    C  34          2HO*        C  34  71.082  39.197-111.736
  363    H1*    C  34           H1*        C  34  69.607  39.045-113.890
  364   1H4     C  34          1H4         C  34  68.178  45.428-114.976
  365   2H4     C  34          2H4         C  34  69.479  45.010-116.068
  366    H5     C  34           H5         C  34  67.210  43.858-113.420
  367    H6     C  34           H6         C  34  67.151  41.557-112.697
  368   1H5*    A  35          1H5*        A  35  71.826  36.292-109.925
  369   2H5*    A  35          2H5*        A  35  70.888  37.097-111.213
  370    H4*    A  35           H4*        A  35  72.769  38.405-111.199
  371    H3*    A  35           H3*        A  35  73.281  37.238-108.695
  372   1H2*    A  35          1H2*        A  35  72.589  38.841-107.304
  373   2HO*    A  35          2HO*        A  35  74.584  40.564-108.302
  374    H1*    A  35           H1*        A  35  72.867  41.097-109.206
  375    H8     A  35           H8         A  35  69.638  40.727-109.237
  376   1H6     A  35          1H6         A  35  68.081  42.935-105.187
  377   2H6     A  35          2H6         A  35  68.852  43.215-103.648
  378    H2     A  35           H2         A  35  72.964  41.505-103.878
  379   1H5*    U  36          1H5*        U  36  78.281  39.448-110.193
  380   2H5*    U  36          2H5*        U  36  76.586  39.583-110.634
  381    H4*    U  36           H4*        U  36  77.199  41.776-110.151
  382    H3*    U  36           H3*        U  36  78.878  40.552-107.991
  383   1H2*    U  36          1H2*        U  36  78.620  42.376-106.603
  384   2HO*    U  36          2HO*        U  36  78.324  43.721-109.022
  385    H1*    U  36           H1*        U  36  76.089  43.150-107.361
  386    H3     U  36           H3         U  36  76.120  42.367-102.871
  387    H5     U  36           H5         U  36  75.355  38.667-104.725
  388    H6     U  36           H6         U  36  75.958  39.663-106.842
  389   1H5*    C  37          1H5*        C  37  82.517  44.162-108.441
  390   2H5*    C  37          2H5*        C  37  80.858  43.919-108.974
  391    H4*    C  37           H4*        C  37  80.726  45.330-107.083
  392    H3*    C  37           H3*        C  37  82.734  43.435-105.882
  393   1H2*    C  37          1H2*        C  37  81.849  43.719-103.773
  394   2HO*    C  37          2HO*        C  37  81.012  46.200-104.814
  395    H1*    C  37           H1*        C  37  79.204  44.252-104.532
  396   1H4     C  37          1H4         C  37  79.004  38.818-101.360
  397   2H4     C  37          2H4         C  37  79.156  37.953-102.876
  398    H5     C  37           H5         C  37  79.783  39.024-104.946
  399    H6     C  37           H6         C  37  80.176  41.171-106.046
  400   1H5*    G  38          1H5*        G  38  85.792  47.118-103.377
  401   2H5*    G  38          2H5*        G  38  84.218  47.605-103.990
  402    H4*    G  38           H4*        G  38  83.938  48.032-101.745
  403    H3*    G  38           H3*        G  38  85.915  45.809-101.385
  404   1H2*    G  38          1H2*        G  38  85.054  45.138 -99.368
  405   2HO*    G  38          2HO*        G  38  83.931  47.750 -99.270
  406    H1*    G  38           H1*        G  38  82.381  45.709 -99.808
  407    H8     G  38           H8         G  38  83.930  43.759-102.653
  408    H1     G  38           H1         G  38  82.052  40.102 -97.780
  409   1H2     G  38          1H2         G  38  82.000  43.082 -95.969
  410   2H2     G  38          2H2         G  38  81.763  41.348 -95.964
  411   1H5*    G  39          1H5*        G  39  87.937  47.738 -97.170
  412   2H5*    G  39          2H5*        G  39  86.507  48.024 -98.153
  413    H4*    G  39           H4*        G  39  85.646  46.657 -96.507
  414    H3*    G  39           H3*        G  39  88.400  45.515 -96.406
  415   1H2*    G  39          1H2*        G  39  87.634  43.337 -96.035
  416   2HO*    G  39          2HO*        G  39  85.659  43.025 -94.898
  417    H1*    G  39           H1*        G  39  84.948  43.691 -96.787
  418    H8     G  39           H8         G  39  87.040  43.657 -99.869
  419    H1     G  39           H1         G  39  85.580  37.895 -97.543
  420   1H2     G  39          1H2         G  39  84.963  38.088 -95.421
  421   2H2     G  39          2H2         G  39  84.908  39.631 -94.598
  422   1H5*    A  40          1H5*        A  40  89.968  45.652 -91.921
  423   2H5*    A  40          2H5*        A  40  89.024  46.429 -90.651
  424    H4*    A  40           H4*        A  40  88.744  44.427 -89.647
  425    H3*    A  40           H3*        A  40  90.332  43.474 -92.050
  426   1H2*    A  40          1H2*        A  40  89.907  41.231 -91.440
  427   2HO*    A  40          2HO*        A  40  88.881  42.388 -89.049
  428    H1*    A  40           H1*        A  40  87.293  41.539 -91.194
  429    H8     A  40           H8         A  40  88.531  43.910 -93.801
  430   1H6     A  40          1H6         A  40  88.359  39.120 -97.690
  431   2H6     A  40          2H6         A  40  88.376  40.866 -97.567
  432    H2     A  40           H2         A  40  88.064  37.520 -93.504
  433   1H5*    A  41          1H5*        A  41  93.052  40.653 -88.467
  434   2H5*    A  41          2H5*        A  41  91.480  41.510 -88.485
  435    H4*    A  41           H4*        A  41  90.819  39.271 -88.297
  436    H3*    A  41           H3*        A  41  93.280  38.774 -89.898
  437   1H2*    A  41          1H2*        A  41  92.423  37.081 -91.156
  438   2HO*    A  41          2HO*        A  41  90.143  36.373 -90.024
  439    H1*    A  41           H1*        A  41  89.743  37.795 -91.164
  440    H8     A  41           H8         A  41  91.790  40.683 -92.334
  441   1H6     A  41          1H6         A  41  92.424  39.450 -96.955
  442   2H6     A  41          2H6         A  41  92.116  37.978 -97.851
  443    H2     A  41           H2         A  41  90.404  35.015 -94.946
  444   1H5*    C  42          1H5*        C  42  94.094  34.575 -88.705
  445   2H5*    C  42          2H5*        C  42  93.050  35.383 -89.911
  446    H4*    C  42           H4*        C  42  94.754  33.425 -90.572
  447    H3*    C  42           H3*        C  42  96.392  35.910 -90.355
  448   1H2*    C  42          1H2*        C  42  97.294  35.721 -92.427
  449   2HO*    C  42          2HO*        C  42  97.683  33.793 -93.430
  450    H1*    C  42           H1*        C  42  95.343  34.277 -93.708
  451   1H4     C  42          1H4         C  42  95.415  39.960 -96.511
  452   2H4     C  42          2H4         C  42  95.083  40.767 -94.996
  453    H5     C  42           H5         C  42  94.829  39.606 -92.912
  454    H6     C  42           H6         C  42  94.874  37.419 -91.802
  455   1H5*    C  43          1H5*        C  43  99.557  32.108 -90.873
  456   2H5*    C  43          2H5*        C  43  98.288  33.112 -91.640
  457    H4*    C  43           H4*        C  43 100.392  32.257 -93.020
  458    H3*    C  43           H3*        C  43 101.384  34.515 -91.343
  459   1H2*    C  43          1H2*        C  43 102.363  35.646 -93.056
  460   2HO*    C  43          2HO*        C  43 102.344  33.175 -94.475
  461    H1*    C  43           H1*        C  43 100.650  34.928 -95.137
  462   1H4     C  43          1H4         C  43  99.498  40.995 -93.565
  463   2H4     C  43          2H4         C  43  98.795  40.502 -92.041
  464    H5     C  43           H5         C  43  98.713  38.223 -91.300
  465    H6     C  43           H6         C  43  99.229  35.878 -91.892
  466   1H5*    A  44          1H5*        A  44 104.595  29.980 -91.700
  467   2H5*    A  44          2H5*        A  44 103.714  31.272 -92.571
  468    H4*    A  44           H4*        A  44 106.251  30.566 -93.155
  469    H3*    A  44           H3*        A  44 106.432  32.117 -90.693
  470   1H2*    A  44          1H2*        A  44 106.981  34.090 -91.518
  471   2HO*    A  44          2HO*        A  44 109.010  32.576 -92.817
  472    H1*    A  44           H1*        A  44 107.296  33.363 -94.355
  473    H8     A  44           H8         A  44 104.275  34.638 -92.344
  474   1H6     A  44          1H6         A  44 104.104  39.131 -94.141
  475   2H6     A  44          2H6         A  44 105.131  40.009 -95.252
  476    H2     A  44           H2         A  44 108.456  37.225 -96.435
  477    H3T    A  44           H3T        A  44 108.802  31.620 -91.574
   
  Start of MODEL   22
    1   1H5*    G   1          1H5*        G   1  59.743  41.985-112.488
    2   2H5*    G   1          2H5*        G   1  60.505  42.902-111.166
    3    H4*    G   1           H4*        G   1  60.857  40.239-111.579
    4    H3*    G   1           H3*        G   1  58.342  40.607-110.038
    5   1H2*    G   1          1H2*        G   1  58.951  39.247-108.240
    6   2HO*    G   1          2HO*        G   1  60.556  37.738-108.368
    7    H1*    G   1           H1*        G   1  61.494  39.970-107.957
    8    H8     G   1           H8         G   1  59.899  43.127-109.065
    9    H1     G   1           H1         G   1  59.436  42.182-102.785
   10   1H2     G   1          1H2         G   1  60.134  38.855-103.503
   11   2H2     G   1          2H2         G   1  59.776  40.064-102.286
   12    H5T    G   1           H5T        G   1  57.899  41.814-111.219
   13   1H5*    G   2          1H5*        G   2  56.109  36.624-109.764
   14   2H5*    G   2          2H5*        G   2  57.815  37.045-109.791
   15    H4*    G   2           H4*        G   2  57.295  36.684-107.524
   16    H3*    G   2           H3*        G   2  54.826  38.329-108.070
   17   1H2*    G   2          1H2*        G   2  54.845  39.064-105.876
   18   2HO*    G   2          2HO*        G   2  56.191  37.919-104.291
   19    H1*    G   2           H1*        G   2  57.608  38.952-105.480
   20    H8     G   2           H8         G   2  56.752  41.255-108.301
   21    H1     G   2           H1         G   2  55.780  43.838-102.565
   22   1H2     G   2          1H2         G   2  55.923  40.553-101.414
   23   2H2     G   2          2H2         G   2  55.711  42.244-101.023
   24   1H5*    G   3          1H5*        G   3  51.976  34.709-105.154
   25   2H5*    G   3          2H5*        G   3  53.691  35.022-105.404
   26    H4*    G   3           H4*        G   3  53.260  35.571-103.133
   27    H3*    G   3           H3*        G   3  50.782  36.780-104.282
   28   1H2*    G   3          1H2*        G   3  50.794  38.582-102.856
   29   2HO*    G   3          2HO*        G   3  52.156  38.455-100.883
   30    H1*    G   3           H1*        G   3  53.522  38.744-102.366
   31    H8     G   3           H8         G   3  52.712  39.006-106.032
   32    H1     G   3           H1         G   3  52.132  44.484-102.830
   33   1H2     G   3          1H2         G   3  52.101  42.456-100.000
   34   2H2     G   3          2H2         G   3  52.011  44.076-100.655
   35   1H5*    A   4          1H5*        A   4  47.863  35.335 -99.757
   36   2H5*    A   4          2H5*        A   4  49.613  35.203 -99.642
   37    H4*    A   4           H4*        A   4  49.093  36.461 -97.749
   38    H3*    A   4           H3*        A   4  46.908  37.578 -99.468
   39   1H2*    A   4          1H2*        A   4  46.944  39.657 -98.455
   40   2HO*    A   4          2HO*        A   4  48.476  38.376 -96.412
   41    H1*    A   4           H1*        A   4  49.629  39.942 -98.194
   42    H8     A   4           H8         A   4  48.931  38.305-101.485
   43   1H6     A   4          1H6         A   4  48.258  43.986-103.775
   44   2H6     A   4          2H6         A   4  48.526  42.304-104.175
   45    H2     A   4           H2         A   4  48.103  44.240 -99.286
   46   1H5*    G   5          1H5*        G   5  42.790  38.038 -96.644
   47   2H5*    G   5          2H5*        G   5  44.408  38.181 -95.973
   48    H4*    G   5           H4*        G   5  43.613  40.367 -95.855
   49    H3*    G   5           H3*        G   5  42.219  39.699 -98.423
   50   1H2*    G   5          1H2*        G   5  42.378  41.855 -99.228
   51   2HO*    G   5          2HO*        G   5  42.467  42.500 -96.494
   52    H1*    G   5           H1*        G   5  44.772  42.591 -98.040
   53    H8     G   5           H8         G   5  45.157  39.359 -99.865
   54    H1     G   5           H1         G   5  45.446  44.429-103.696
   55   1H2     G   5          1H2         G   5  44.565  46.207-102.709
   56   2H2     G   5          2H2         G   5  43.917  46.138-101.083
   57   1H5*    C   6          1H5*        C   6  37.737  41.268 -97.648
   58   2H5*    C   6          2H5*        C   6  38.938  42.447 -98.254
   59    H4*    C   6           H4*        C   6  36.865  42.279 -99.660
   60    H3*    C   6           H3*        C   6  37.819  39.446 -99.799
   61   1H2*    C   6          1H2*        C   6  37.471  39.251-102.051
   62   2HO*    C   6          2HO*        C   6  36.034  40.635-103.181
   63    H1*    C   6           H1*        C   6  37.923  41.889-102.824
   64   1H4     C   6          1H4         C   6  43.035  38.752-104.881
   65   2H4     C   6          2H4         C   6  43.371  38.130-103.281
   66    H5     C   6           H5         C   6  41.977  38.579-101.374
   67    H6     C   6           H6         C   6  39.991  39.768-100.565
   68   1H5*    U   7          1H5*        U   7  32.877  37.863-100.613
   69   2H5*    U   7          2H5*        U   7  33.845  39.297-101.067
   70    H4*    U   7           H4*        U   7  33.196  38.210-103.098
   71    H3*    U   7           H3*        U   7  33.980  35.733-101.615
   72   1H2*    U   7          1H2*        U   7  34.961  34.738-103.438
   73   2HO*    U   7          2HO*        U   7  33.085  35.002-104.747
   74    H1*    U   7           H1*        U   7  35.722  37.060-104.847
   75    H3     U   7           H3         U   7  39.680  35.007-104.622
   76    H5     U   7           H5         U   7  38.743  35.674-100.569
   77    H6     U   7           H6         U   7  36.577  36.507-101.267
   78   1H5*    C   8          1H5*        C   8  32.722  32.259-102.298
   79   2H5*    C   8          2H5*        C   8  31.054  31.678-102.591
   80    H4*    C   8           H4*        C   8  32.621  30.534-104.072
   81    H3*    C   8           H3*        C   8  33.847  33.104-104.217
   82   1H2*    C   8          1H2*        C   8  32.994  33.917-106.111
   83   2HO*    C   8          2HO*        C   8  34.902  32.919-106.970
   84    H1*    C   8           H1*        C   8  31.885  31.451-107.260
   85   1H4     C   8          1H4         C   8  27.911  35.900-109.322
   86   2H4     C   8          2H4         C   8  27.945  36.712-107.773
   87    H5     C   8           H5         C   8  29.270  35.924-105.912
   88    H6     C   8           H6         C   8  30.840  34.248-105.133
   89   1H5*    A   9          1H5*        A   9  37.402  30.575-107.414
   90   2H5*    A   9          2H5*        A   9  35.656  30.300-107.677
   91    H4*    A   9           H4*        A   9  36.952  30.558-109.792
   92    H3*    A   9           H3*        A   9  37.625  33.171-108.491
   93   1H2*    A   9          1H2*        A   9  37.365  34.381-110.428
   94   2HO*    A   9          2HO*        A   9  37.500  31.927-111.873
   95    H1*    A   9           H1*        A   9  35.317  32.942-111.595
   96    H8     A   9           H8         A   9  33.770  33.464-108.446
   97   1H6     A   9          1H6         A   9  33.574  39.555-109.317
   98   2H6     A   9          2H6         A   9  32.958  38.223-108.365
   99    H2     A   9           H2         A   9  36.424  37.803-112.319
  100   1H5*    A  10          1H5*        A  10  42.329  33.497-110.836
  101   2H5*    A  10          2H5*        A  10  40.785  32.752-111.346
  102    H4*    A  10           H4*        A  10  41.071  34.507-112.867
  103    H3*    A  10           H3*        A  10  42.224  35.984-110.531
  104   1H2*    A  10          1H2*        A  10  41.391  38.013-111.223
  105   2HO*    A  10          2HO*        A  10  40.988  36.862-113.797
  106    H1*    A  10           H1*        A  10  39.034  37.181-112.385
  107    H8     A  10           H8         A  10  39.222  35.642-108.991
  108   1H6     A  10          1H6         A  10  37.865  41.145-106.590
  109   2H6     A  10          2H6         A  10  38.003  39.432-106.260
  110    H2     A  10           H2         A  10  38.895  41.718-110.929
  111   1H5*    C  11          1H5*        C  11  45.473  38.884-113.322
  112   2H5*    C  11          2H5*        C  11  43.887  38.216-113.811
  113    H4*    C  11           H4*        C  11  43.711  40.615-113.834
  114    H3*    C  11           H3*        C  11  45.124  40.391-111.201
  115   1H2*    C  11          1H2*        C  11  43.884  42.039-110.200
  116   2HO*    C  11          2HO*        C  11  44.232  43.550-111.934
  117    H1*    C  11           H1*        C  11  41.475  41.668-111.484
  118   1H4     C  11          1H4         C  11  41.835  37.936-106.021
  119   2H4     C  11          2H4         C  11  40.725  39.242-105.667
  120    H5     C  11           H5         C  11  43.051  37.763-108.091
  121    H6     C  11           H6         C  11  43.469  38.804-110.269
  122   1H5*    U  12          1H5*        U  12  46.571  45.540-112.281
  123   2H5*    U  12          2H5*        U  12  45.175  44.682-112.995
  124    H4*    U  12           H4*        U  12  44.453  46.817-112.077
  125    H3*    U  12           H3*        U  12  45.938  45.835-109.671
  126   1H2*    U  12          1H2*        U  12  44.372  46.624-108.189
  127   2HO*    U  12          2HO*        U  12  42.901  48.285-108.757
  128    H1*    U  12           H1*        U  12  42.088  46.388-109.806
  129    H3     U  12           H3         U  12  40.666  43.563-106.661
  130    H5     U  12           H5         U  12  44.578  42.185-107.412
  131    H6     U  12           H6         U  12  44.831  43.983-109.027
  132   1H5*    C  13          1H5*        C  13  47.543  50.984-108.743
  133   2H5*    C  13          2H5*        C  13  46.288  50.253-109.734
  134    H4*    C  13           H4*        C  13  45.134  51.389-108.025
  135    H3*    C  13           H3*        C  13  47.337  50.444-106.222
  136   1H2*    C  13          1H2*        C  13  45.898  49.948-104.458
  137   2HO*    C  13          2HO*        C  13  44.457  51.988-105.586
  138    H1*    C  13           H1*        C  13  43.737  49.020-105.786
  139   1H4     C  13          1H4         C  13  46.533  43.492-104.704
  140   2H4     C  13          2H4         C  13  47.256  43.599-106.292
  141    H5     C  13           H5         C  13  47.294  45.622-107.589
  142    H6     C  13           H6         C  13  46.476  47.924-107.730
  143   1H5*    U  14          1H5*        U  14  48.800  52.915-103.053
  144   2H5*    U  14          2H5*        U  14  47.602  53.839-102.161
  145    H4*    U  14           H4*        U  14  47.520  52.245-100.572
  146    H3*    U  14           H3*        U  14  49.632  50.938-102.338
  147   1H2*    U  14          1H2*        U  14  49.600  49.103-100.845
  148   2HO*    U  14          2HO*        U  14  48.018  49.389 -98.970
  149    H1*    U  14           H1*        U  14  46.889  49.051-100.545
  150    H3     U  14           H3         U  14  48.301  45.174-102.348
  151    H5     U  14           H5         U  14  48.451  47.879-105.565
  152    H6     U  14           H6         U  14  48.015  49.662-104.016
  153   1H5*    C  15          1H5*        C  15  52.297  52.040 -97.685
  154   2H5*    C  15          2H5*        C  15  50.757  52.030 -98.542
  155    H4*    C  15           H4*        C  15  50.852  50.155 -97.001
  156    H3*    C  15           H3*        C  15  53.479  49.679 -98.375
  157   1H2*    C  15          1H2*        C  15  53.203  47.391 -98.375
  158   2HO*    C  15          2HO*        C  15  51.608  46.386 -97.004
  159    H1*    C  15           H1*        C  15  50.471  47.283 -98.634
  160   1H4     C  15          1H4         C  15  52.448  45.476-104.328
  161   2H4     C  15          2H4         C  15  52.424  47.149-104.847
  162    H5     C  15           H5         C  15  52.212  49.005-103.314
  163    H6     C  15           H6         C  15  51.773  49.644-100.989
  164   1H5*    C  16          1H5*        C  16  55.618  47.361 -94.282
  165   2H5*    C  16          2H5*        C  16  53.966  47.696 -94.786
  166    H4*    C  16           H4*        C  16  54.302  45.356 -95.069
  167    H3*    C  16           H3*        C  16  56.898  46.209 -96.327
  168   1H2*    C  16          1H2*        C  16  56.828  44.464 -97.816
  169   2HO*    C  16          2HO*        C  16  55.347  42.655 -97.430
  170    H1*    C  16           H1*        C  16  54.100  44.216 -98.045
  171   1H4     C  16          1H4         C  16  55.927  47.843-103.161
  172   2H4     C  16          2H4         C  16  56.034  46.179-103.700
  173    H5     C  16           H5         C  16  55.591  48.463-100.843
  174    H6     C  16           H6         C  16  55.179  47.604 -98.577
  175   1H5*    C  17          1H5*        C  17  59.771  42.184 -94.062
  176   2H5*    C  17          2H5*        C  17  58.016  42.234 -94.143
  177    H4*    C  17           H4*        C  17  58.551  40.282 -95.308
  178    H3*    C  17           H3*        C  17  60.912  41.857 -96.280
  179   1H2*    C  17          1H2*        C  17  60.941  40.806 -98.330
  180   2HO*    C  17          2HO*        C  17  59.747  38.806 -98.643
  181    H1*    C  17           H1*        C  17  58.217  40.346 -98.624
  182   1H4     C  17          1H4         C  17  58.991  46.181-101.441
  183   2H4     C  17          2H4         C  17  59.259  45.018-102.720
  184    H5     C  17           H5         C  17  58.869  45.576 -99.111
  185    H6     C  17           H6         C  17  58.815  43.712 -97.523
  186   1H5*    C  18          1H5*        C  18  63.693  37.333 -96.126
  187   2H5*    C  18          2H5*        C  18  62.012  37.851 -96.138
  188    H4*    C  18           H4*        C  18  62.455  36.896 -98.276
  189    H3*    C  18           H3*        C  18  64.969  38.531 -98.114
  190   1H2*    C  18          1H2*        C  18  64.953  38.992-100.368
  191   2HO*    C  18          2HO*        C  18  63.590  37.722-101.818
  192    H1*    C  18           H1*        C  18  62.197  38.996-100.781
  193   1H4     C  18          1H4         C  18  63.769  45.076-101.347
  194   2H4     C  18          2H4         C  18  63.538  45.278 -99.625
  195    H5     C  18           H5         C  18  63.285  43.429 -98.104
  196    H6     C  18           H6         C  18  63.035  40.998 -97.923
  197   1H5*    C  19          1H5*        C  19  67.129  34.038-100.543
  198   2H5*    C  19          2H5*        C  19  65.536  34.700-100.191
  199    H4*    C  19           H4*        C  19  65.818  34.559-102.592
  200    H3*    C  19           H3*        C  19  68.425  35.895-101.960
  201   1H2*    C  19          1H2*        C  19  68.356  37.267-103.820
  202   2HO*    C  19          2HO*        C  19  66.649  36.879-105.447
  203    H1*    C  19           H1*        C  19  65.705  37.825-103.838
  204   1H4     C  19          1H4         C  19  67.953  42.889-100.840
  205   2H4     C  19          2H4         C  19  67.852  42.029 -99.318
  206    H5     C  19           H5         C  19  67.445  39.654 -99.166
  207    H6     C  19           H6         C  19  66.883  37.630-100.429
  208   1H5*    C  20          1H5*        C  20  71.516  33.592-105.246
  209   2H5*    C  20          2H5*        C  20  69.823  34.048-105.385
  210    H4*    C  20           H4*        C  20  71.133  35.501-106.792
  211    H3*    C  20           H3*        C  20  72.803  35.749-104.322
  212   1H2*    C  20          1H2*        C  20  73.226  37.959-104.631
  213   2HO*    C  20          2HO*        C  20  72.549  38.860-106.848
  214    H1*    C  20           H1*        C  20  70.892  38.699-105.875
  215   1H4     C  20          1H4         C  20  70.437  41.264-100.149
  216   2H4     C  20          2H4         C  20  69.768  39.762 -99.540
  217    H5     C  20           H5         C  20  69.786  37.699-100.817
  218    H6     C  20           H6         C  20  70.206  36.710-103.034
  219   1H5*    C  21          1H5*        C  21  76.957  35.972-106.399
  220   2H5*    C  21          2H5*        C  21  75.598  37.085-106.072
  221    H4*    C  21           H4*        C  21  77.825  37.947-105.326
  222    H3*    C  21           H3*        C  21  77.694  35.420-103.723
  223   1H2*    C  21          1H2*        C  21  78.482  36.423-101.806
  224   2HO*    C  21          2HO*        C  21  80.357  37.218-102.884
  225    H1*    C  21           H1*        C  21  77.628  39.070-102.360
  226   1H4     C  21          1H4         C  21  74.930  36.891 -97.030
  227   2H4     C  21          2H4         C  21  73.411  37.037 -97.884
  228    H5     C  21           H5         C  21  73.273  37.506-100.225
  229    H6     C  21           H6         C  21  74.518  37.879-102.323
  230   1H5*    U  22          1H5*        U  22  82.156  36.943-105.235
  231   2H5*    U  22          2H5*        U  22  82.623  37.930-103.817
  232    H4*    U  22           H4*        U  22  84.278  36.185-103.188
  233    H3*    U  22           H3*        U  22  84.470  38.069-105.262
  234   1H2*    U  22          1H2*        U  22  84.448  36.700-107.071
  235   2HO*    U  22          2HO*        U  22  86.546  35.876-107.543
  236    H1*    U  22           H1*        U  22  85.608  34.318-105.710
  237    H3     U  22           H3         U  22  84.485  33.701-110.280
  238    H5     U  22           H5         U  22  81.224  32.575-107.859
  239    H6     U  22           H6         U  22  82.338  33.627-105.981
  240   1H5*    U  23          1H5*        U  23  87.739  36.863-106.676
  241   2H5*    U  23          2H5*        U  23  88.630  38.360-107.073
  242    H4*    U  23           H4*        U  23  89.934  36.376-107.678
  243    H3*    U  23           H3*        U  23  89.368  35.635-104.830
  244   1H2*    U  23          1H2*        U  23  91.446  34.670-104.544
  245   2HO*    U  23          2HO*        U  23  92.800  34.181-106.321
  246    H1*    U  23           H1*        U  23  92.914  36.454-105.981
  247    H3     U  23           H3         U  23  93.820  36.420-101.435
  248    H5     U  23           H5         U  23  91.011  39.483-102.143
  249    H6     U  23           H6         U  23  90.715  38.595-104.385
  250   1H5*    U  24          1H5*        U  24  89.559  31.137-105.030
  251   2H5*    U  24          2H5*        U  24  90.665  32.524-105.248
  252    H4*    U  24           H4*        U  24  91.212  30.785-103.414
  253    H3*    U  24           H3*        U  24  88.855  32.235-102.243
  254   1H2*    U  24          1H2*        U  24  89.812  32.223-100.154
  255   2HO*    U  24          2HO*        U  24  90.276  29.943-100.210
  256    H1*    U  24           H1*        U  24  92.478  32.348-101.001
  257    H3     U  24           H3         U  24  91.753  35.673 -98.000
  258    H5     U  24           H5         U  24  89.935  37.025-101.548
  259    H6     U  24           H6         U  24  90.382  34.858-102.534
  260   1H5*    U  25          1H5*        U  25  85.827  28.950-100.176
  261   2H5*    U  25          2H5*        U  25  87.579  28.828-100.197
  262    H4*    U  25           H4*        U  25  86.939  29.357 -97.966
  263    H3*    U  25           H3*        U  25  85.241  31.494 -99.251
  264   1H2*    U  25          1H2*        U  25  85.486  32.813 -97.335
  265   2HO*    U  25          2HO*        U  25  86.444  31.913 -95.416
  266    H1*    U  25           H1*        U  25  88.089  32.183 -96.833
  267    H3     U  25           H3         U  25  87.857  36.633 -97.667
  268    H5     U  25           H5         U  25  88.217  34.788-101.439
  269    H6     U  25           H6         U  25  87.824  32.652-100.361
  270   1H5*    C  26          1H5*        C  26  81.141  31.123 -96.278
  271   2H5*    C  26          2H5*        C  26  82.829  30.688 -96.053
  272    H4*    C  26           H4*        C  26  82.483  32.624 -94.739
  273    H3*    C  26           H3*        C  26  80.992  33.637 -97.150
  274   1H2*    C  26          1H2*        C  26  81.635  35.806 -96.705
  275   2HO*    C  26          2HO*        C  26  82.034  34.879 -94.053
  276    H1*    C  26           H1*        C  26  84.070  35.254 -95.481
  277   1H4     C  26          1H4         C  26  85.656  38.215-100.811
  278   2H4     C  26          2H4         C  26  85.687  36.676-101.646
  279    H5     C  26           H5         C  26  84.798  34.640-100.696
  280    H6     C  26           H6         C  26  83.889  33.602 -98.674
  281   1H5*    C  27          1H5*        C  27  77.488  35.878 -93.634
  282   2H5*    C  27          2H5*        C  27  79.086  35.155 -93.502
  283    H4*    C  27           H4*        C  27  79.330  37.445 -92.910
  284    H3*    C  27           H3*        C  27  77.616  37.934 -95.334
  285   1H2*    C  27          1H2*        C  27  78.704  39.905 -95.821
  286   2HO*    C  27          2HO*        C  27  79.511  39.828 -93.096
  287    H1*    C  27           H1*        C  27  81.245  39.182 -94.956
  288   1H4     C  27          1H4         C  27  81.680  39.104-101.251
  289   2H4     C  27          2H4         C  27  81.200  37.421-101.246
  290    H5     C  27           H5         C  27  80.286  36.316 -99.307
  291    H6     C  27           H6         C  27  79.842  36.526 -96.902
  292   1H5*    G  28          1H5*        G  28  74.783  41.883 -93.136
  293   2H5*    G  28          2H5*        G  28  76.359  41.270 -92.653
  294    H4*    G  28           H4*        G  28  76.743  43.489 -93.367
  295    H3*    G  28           H3*        G  28  74.805  42.786 -95.544
  296   1H2*    G  28          1H2*        G  28  75.898  44.044 -97.130
  297   2HO*    G  28          2HO*        G  28  77.584  45.577 -96.420
  298    H1*    G  28           H1*        G  28  78.491  43.686 -96.281
  299    H8     G  28           H8         G  28  76.692  40.384 -96.438
  300    H1     G  28           H1         G  28  78.928  42.318-102.082
  301   1H2     G  28          1H2         G  28  79.212  45.438-100.569
  302   2H2     G  28          2H2         G  28  79.419  44.473-102.014
  303   1H5*    A  29          1H5*        A  29  72.879  47.888 -95.307
  304   2H5*    A  29          2H5*        A  29  74.377  47.197 -94.698
  305    H4*    A  29           H4*        A  29  75.030  48.869 -96.240
  306    H3*    A  29           H3*        A  29  72.759  47.783 -97.866
  307   1H2*    A  29          1H2*        A  29  73.847  48.116 -99.877
  308   2HO*    A  29          2HO*        A  29  75.458  49.940 -98.405
  309    H1*    A  29           H1*        A  29  76.434  47.598 -99.076
  310    H8     A  29           H8         A  29  74.096  44.929 -97.814
  311   1H6     A  29          1H6         A  29  75.225  41.991-103.096
  312   2H6     A  29          2H6         A  29  74.632  41.824-101.460
  313    H2     A  29           H2         A  29  76.627  46.237-103.543
  314   1H5*    G  30          1H5*        G  30  71.770  51.722-100.588
  315   2H5*    G  30          2H5*        G  30  73.192  51.117 -99.744
  316    H4*    G  30           H4*        G  30  73.435  50.706-102.119
  317    H3*    G  30           H3*        G  30  70.687  49.540-101.784
  318   1H2*    G  30          1H2*        G  30  71.105  47.856-103.343
  319   2HO*    G  30          2HO*        G  30  73.323  47.972-104.410
  320    H1*    G  30           H1*        G  30  73.634  47.239-102.568
  321    H8     G  30           H8         G  30  71.441  47.930 -99.527
  322    H1     G  30           H1         G  30  71.040  41.993-101.801
  323   1H2     G  30          1H2         G  30  72.619  43.319-104.600
  324   2H2     G  30          2H2         G  30  71.919  41.916-103.826
  325   1H5*    G  31          1H5*        G  31  68.228  51.360-106.149
  326   2H5*    G  31          2H5*        G  31  69.982  51.212-106.237
  327    H4*    G  31           H4*        G  31  69.250  49.773-107.936
  328    H3*    G  31           H3*        G  31  66.984  49.244-106.049
  329   1H2*    G  31          1H2*        G  31  66.760  47.012-106.685
  330   2HO*    G  31          2HO*        G  31  68.089  46.225-108.518
  331    H1*    G  31           H1*        G  31  69.385  46.370-106.845
  332    H8     G  31           H8         G  31  68.874  48.725-103.930
  333    H1     G  31           H1         G  31  67.619  42.633-102.548
  334   1H2     G  31          1H2         G  31  67.585  42.176-105.996
  335   2H2     G  31          2H2         G  31  67.404  41.458-104.410
  336   1H5*    G  32          1H5*        G  32  63.910  48.287-110.568
  337   2H5*    G  32          2H5*        G  32  65.651  48.506-110.439
  338    H4*    G  32           H4*        G  32  65.541  46.352-111.278
  339    H3*    G  32           H3*        G  32  62.930  46.228-109.840
  340   1H2*    G  32          1H2*        G  32  63.077  44.042-109.218
  341   2HO*    G  32          2HO*        G  32  64.640  42.618-110.178
  342    H1*    G  32           H1*        G  32  65.731  43.867-108.645
  343    H8     G  32           H8         G  32  64.402  47.218-107.597
  344    H1     G  32           H1         G  32  63.730  42.780-103.091
  345   1H2     G  32          1H2         G  32  64.199  40.488-105.655
  346   2H2     G  32          2H2         G  32  63.887  40.763-103.952
  347   1H5*    U  33          1H5*        U  33  62.960  42.248-111.880
  348   2H5*    U  33          2H5*        U  33  62.167  41.739-113.415
  349    H4*    U  33           H4*        U  33  64.476  40.915-113.408
  350    H3*    U  33           H3*        U  33  64.919  43.134-111.836
  351   1H2*    U  33          1H2*        U  33  64.921  44.782-113.369
  352   2HO*    U  33          2HO*        U  33  67.484  43.660-113.911
  353    H1*    U  33           H1*        U  33  66.099  43.238-115.626
  354    H3     U  33           H3         U  33  64.932  46.615-118.313
  355    H5     U  33           H5         U  33  61.541  46.187-115.845
  356    H6     U  33           H6         U  33  62.722  44.444-114.638
  357   1H5*    C  34          1H5*        C  34  66.272  38.481-112.915
  358   2H5*    C  34          2H5*        C  34  66.460  39.974-113.915
  359    H4*    C  34           H4*        C  34  67.853  37.673-114.482
  360    H3*    C  34           H3*        C  34  69.040  39.033-112.158
  361   1H2*    C  34          1H2*        C  34  71.067  39.573-112.928
  362   2HO*    C  34          2HO*        C  34  70.775  37.489-114.875
  363    H1*    C  34           H1*        C  34  70.563  39.774-115.661
  364   1H4     C  34          1H4         C  34  69.940  45.435-112.229
  365   2H4     C  34          2H4         C  34  71.250  45.688-113.361
  366    H5     C  34           H5         C  34  68.745  43.361-112.051
  367    H6     C  34           H6         C  34  68.471  41.123-112.933
  368   1H5*    A  35          1H5*        A  35  72.833  36.469-111.602
  369   2H5*    A  35          2H5*        A  35  71.946  37.399-112.839
  370    H4*    A  35           H4*        A  35  73.904  38.617-112.624
  371    H3*    A  35           H3*        A  35  74.180  37.325-110.165
  372   1H2*    A  35          1H2*        A  35  73.299  38.845-108.761
  373   2HO*    A  35          2HO*        A  35  75.667  40.252-109.527
  374    H1*    A  35           H1*        A  35  73.898  41.189-110.480
  375    H8     A  35           H8         A  35  70.685  40.921-110.923
  376   1H6     A  35          1H6         A  35  68.642  43.003-107.103
  377   2H6     A  35          2H6         A  35  69.205  43.280-105.471
  378    H2     A  35           H2         A  35  73.352  41.626-105.204
  379   1H5*    U  36          1H5*        U  36  79.082  39.899-111.323
  380   2H5*    U  36          2H5*        U  36  77.378  39.884-111.743
  381    H4*    U  36           H4*        U  36  77.887  42.137-111.297
  382    H3*    U  36           H3*        U  36  79.432  41.052-108.955
  383   1H2*    U  36          1H2*        U  36  79.006  42.968-107.722
  384   2HO*    U  36          2HO*        U  36  78.268  44.902-108.728
  385    H1*    U  36           H1*        U  36  76.480  43.513-108.710
  386    H3     U  36           H3         U  36  76.119  42.991-104.205
  387    H5     U  36           H5         U  36  75.895  39.126-105.854
  388    H6     U  36           H6         U  36  76.654  40.043-107.961
  389   1H5*    C  37          1H5*        C  37  83.170  44.607-109.638
  390   2H5*    C  37          2H5*        C  37  81.529  44.303-110.203
  391    H4*    C  37           H4*        C  37  81.441  45.917-108.417
  392    H3*    C  37           H3*        C  37  83.137  43.894-106.965
  393   1H2*    C  37          1H2*        C  37  82.131  44.395-104.960
  394   2HO*    C  37          2HO*        C  37  81.410  46.845-106.212
  395    H1*    C  37           H1*        C  37  79.604  45.045-105.949
  396   1H4     C  37          1H4         C  37  78.913  39.669-102.734
  397   2H4     C  37          2H4         C  37  79.183  38.772-104.213
  398    H5     C  37           H5         C  37  80.023  39.780-106.225
  399    H6     C  37           H6         C  37  80.574  41.893-107.317
  400   1H5*    G  38          1H5*        G  38  86.490  47.647-104.853
  401   2H5*    G  38          2H5*        G  38  84.896  47.966-105.524
  402    H4*    G  38           H4*        G  38  84.754  48.690-103.283
  403    H3*    G  38           H3*        G  38  86.430  46.265-102.734
  404   1H2*    G  38          1H2*        G  38  85.410  45.802-100.725
  405   2HO*    G  38          2HO*        G  38  84.556  48.512-100.831
  406    H1*    G  38           H1*        G  38  82.841  46.533-101.331
  407    H8     G  38           H8         G  38  84.380  44.546-104.154
  408    H1     G  38           H1         G  38  81.929  40.923 -99.520
  409   1H2     G  38          1H2         G  38  82.012  43.831 -97.611
  410   2H2     G  38          2H2         G  38  81.633  42.125 -97.686
  411   1H5*    G  39          1H5*        G  39  88.332  48.514 -98.484
  412   2H5*    G  39          2H5*        G  39  86.959  48.723 -99.563
  413    H4*    G  39           H4*        G  39  86.128  47.774 -97.535
  414    H3*    G  39           H3*        G  39  88.433  45.857 -97.848
  415   1H2*    G  39          1H2*        G  39  87.210  44.163 -96.853
  416   2HO*    G  39          2HO*        G  39  85.221  44.633 -95.736
  417    H1*    G  39           H1*        G  39  84.744  44.830 -97.887
  418    H8     G  39           H8         G  39  87.242  44.754-100.678
  419    H1     G  39           H1         G  39  85.263  38.950 -98.930
  420   1H2     G  39          1H2         G  39  84.326  39.040 -96.922
  421   2H2     G  39          2H2         G  39  84.178  40.533 -96.022
  422   1H5*    A  40          1H5*        A  40  90.046  45.905 -92.696
  423   2H5*    A  40          2H5*        A  40  88.473  46.474 -93.242
  424    H4*    A  40           H4*        A  40  87.866  44.687 -91.899
  425    H3*    A  40           H3*        A  40  90.475  43.520 -92.787
  426   1H2*    A  40          1H2*        A  40  89.719  41.362 -92.754
  427   2HO*    A  40          2HO*        A  40  87.821  40.792 -91.524
  428    H1*    A  40           H1*        A  40  87.019  41.818 -93.271
  429    H8     A  40           H8         A  40  89.160  43.282 -95.982
  430   1H6     A  40          1H6         A  40  88.613  37.813 -98.757
  431   2H6     A  40          2H6         A  40  88.959  39.512 -98.992
  432    H2     A  40           H2         A  40  87.490  37.302 -94.433
  433   1H5*    A  41          1H5*        A  41  89.528  41.192 -88.006
  434   2H5*    A  41          2H5*        A  41  88.519  41.964 -89.264
  435    H4*    A  41           H4*        A  41  87.577  39.795 -88.758
  436    H3*    A  41           H3*        A  41  90.425  38.911 -88.975
  437   1H2*    A  41          1H2*        A  41  89.946  36.972 -90.106
  438   2HO*    A  41          2HO*        A  41  87.844  36.065 -90.111
  439    H1*    A  41           H1*        A  41  87.831  37.810 -91.616
  440    H8     A  41           H8         A  41  90.851  40.129 -91.358
  441   1H6     A  41          1H6         A  41  93.392  38.489 -95.121
  442   2H6     A  41          2H6         A  41  93.197  37.116 -96.187
  443    H2     A  41           H2         A  41  89.479  34.970 -94.875
  444   1H5*    C  42          1H5*        C  42  89.795  35.024 -85.968
  445   2H5*    C  42          2H5*        C  42  88.968  35.315 -87.526
  446    H4*    C  42           H4*        C  42  90.053  33.052 -87.318
  447    H3*    C  42           H3*        C  42  92.435  34.820 -86.977
  448   1H2*    C  42          1H2*        C  42  93.741  33.642 -88.409
  449   2HO*    C  42          2HO*        C  42  93.369  31.439 -88.875
  450    H1*    C  42           H1*        C  42  91.821  32.568 -90.060
  451   1H4     C  42          1H4         C  42  95.064  36.644 -93.664
  452   2H4     C  42          2H4         C  42  94.667  37.980 -92.606
  453    H5     C  42           H5         C  42  93.364  37.730 -90.599
  454    H6     C  42           H6         C  42  92.170  36.144 -89.159
  455   1H5*    C  43          1H5*        C  43  94.442  30.416 -85.337
  456   2H5*    C  43          2H5*        C  43  93.373  30.964 -86.663
  457    H4*    C  43           H4*        C  43  95.287  29.553 -87.439
  458    H3*    C  43           H3*        C  43  96.787  31.737 -86.055
  459   1H2*    C  43          1H2*        C  43  98.353  31.974 -87.699
  460   2HO*    C  43          2HO*        C  43  97.539  29.437 -88.722
  461    H1*    C  43           H1*        C  43  96.792  31.429 -89.915
  462   1H4     C  43          1H4         C  43  97.647  37.732 -89.562
  463   2H4     C  43          2H4         C  43  96.531  37.838 -88.218
  464    H5     C  43           H5         C  43  95.508  35.912 -87.198
  465    H6     C  43           H6         C  43  95.285  33.455 -87.290
  466   1H5*    A  44          1H5*        A  44  96.870  32.220 -82.253
  467   2H5*    A  44          2H5*        A  44  97.984  30.821 -82.227
  468    H4*    A  44           H4*        A  44  99.194  32.977 -82.272
  469    H3*    A  44           H3*        A  44  97.279  33.525 -84.407
  470   1H2*    A  44          1H2*        A  44  98.649  33.459 -86.152
  471   2HO*    A  44          2HO*        A  44 100.399  34.957 -86.206
  472    H1*    A  44           H1*        A  44 101.199  33.136 -84.702
  473    H8     A  44           H8         A  44  99.219  30.149 -85.853
  474   1H6     A  44          1H6         A  44 101.433  29.304 -90.064
  475   2H6     A  44          2H6         A  44 102.608  30.205 -90.997
  476    H2     A  44           H2         A  44 103.485  33.969 -88.703
  477    H3T    A  44           H3T        A  44  99.269  35.104 -83.107
   
  Start of MODEL   23
    1   1H5*    G   1          1H5*        G   1  64.094  38.858-108.458
    2   2H5*    G   1          2H5*        G   1  64.147  40.161-107.243
    3    H4*    G   1           H4*        G   1  64.676  37.531-106.719
    4    H3*    G   1           H3*        G   1  61.739  38.000-106.440
    5   1H2*    G   1          1H2*        G   1  61.604  37.085-104.310
    6   2HO*    G   1          2HO*        G   1  63.819  35.696-105.182
    7    H1*    G   1           H1*        G   1  63.901  38.039-103.288
    8    H8     G   1           H8         G   1  62.731  40.878-105.315
    9    H1     G   1           H1         G   1  59.943  40.672 -99.590
   10   1H2     G   1          1H2         G   1  60.952  37.349 -99.514
   11   2H2     G   1          2H2         G   1  60.125  38.667 -98.703
   12    H5T    G   1           H5T        G   1  62.189  39.937-108.595
   13   1H5*    G   2          1H5*        G   2  59.236  34.159-106.500
   14   2H5*    G   2          2H5*        G   2  60.863  34.356-105.866
   15    H4*    G   2           H4*        G   2  59.566  34.501-103.956
   16    H3*    G   2           H3*        G   2  57.582  35.937-105.701
   17   1H2*    G   2          1H2*        G   2  56.788  37.135-103.894
   18   2HO*    G   2          2HO*        G   2  57.428  36.341-101.689
   19    H1*    G   2           H1*        G   2  59.146  37.160-102.381
   20    H8     G   2           H8         G   2  59.645  38.810-105.707
   21    H1     G   2           H1         G   2  56.704  42.523-101.449
   22   1H2     G   2          1H2         G   2  56.158  39.547 -99.718
   23   2H2     G   2          2H2         G   2  55.931  41.281 -99.781
   24   1H5*    G   3          1H5*        G   3  53.394  33.122-103.683
   25   2H5*    G   3          2H5*        G   3  55.058  33.194-103.112
   26    H4*    G   3           H4*        G   3  53.886  34.251-101.393
   27    H3*    G   3           H3*        G   3  52.151  35.184-103.631
   28   1H2*    G   3          1H2*        G   3  51.720  37.232-102.707
   29   2HO*    G   3          2HO*        G   3  52.197  37.484-100.330
   30    H1*    G   3           H1*        G   3  54.005  37.518-101.143
   31    H8     G   3           H8         G   3  54.815  37.092-104.792
   32    H1     G   3           H1         G   3  53.349  43.065-103.112
   33   1H2     G   3          1H2         G   3  51.999  41.582-100.264
   34   2H2     G   3          2H2         G   3  52.302  43.055-101.158
   35   1H5*    A   4          1H5*        A   4  47.611  34.793-100.451
   36   2H5*    A   4          2H5*        A   4  49.181  34.610 -99.679
   37    H4*    A   4           H4*        A   4  48.290  36.325 -98.409
   38    H3*    A   4           H3*        A   4  46.766  36.973-100.907
   39   1H2*    A   4          1H2*        A   4  46.693  39.227-100.502
   40   2HO*    A   4          2HO*        A   4  47.352  40.018 -98.336
   41    H1*    A   4           H1*        A   4  49.140  39.574 -99.333
   42    H8     A   4           H8         A   4  49.440  37.376-102.346
   43   1H6     A   4          1H6         A   4  50.156  42.545-105.613
   44   2H6     A   4          2H6         A   4  50.384  40.811-105.609
   45    H2     A   4           H2         A   4  48.548  43.652-101.564
   46   1H5*    G   5          1H5*        G   5  42.364  38.663 -98.877
   47   2H5*    G   5          2H5*        G   5  43.911  38.593 -98.046
   48    H4*    G   5           H4*        G   5  43.650  40.872 -98.282
   49    H3*    G   5           H3*        G   5  42.140  40.140-100.761
   50   1H2*    G   5          1H2*        G   5  42.727  42.059-101.881
   51   2HO*    G   5          2HO*        G   5  42.865  43.103 -99.282
   52    H1*    G   5           H1*        G   5  45.198  42.543-100.630
   53    H8     G   5           H8         G   5  45.185  39.126-102.141
   54    H1     G   5           H1         G   5  46.500  43.722-106.362
   55   1H2     G   5          1H2         G   5  45.864  45.695-105.580
   56   2H2     G   5          2H2         G   5  45.118  45.880-104.006
   57   1H5*    C   6          1H5*        C   6  38.210  42.408-100.362
   58   2H5*    C   6          2H5*        C   6  39.692  42.799-101.285
   59    H4*    C   6           H4*        C   6  37.297  42.667-102.457
   60    H3*    C   6           H3*        C   6  38.201  39.841-102.122
   61   1H2*    C   6          1H2*        C   6  37.878  39.270-104.305
   62   2HO*    C   6          2HO*        C   6  35.651  40.364-104.072
   63    H1*    C   6           H1*        C   6  38.272  41.768-105.512
   64   1H4     C   6          1H4         C   6  43.229  38.229-107.270
   65   2H4     C   6          2H4         C   6  43.564  37.762-105.617
   66    H5     C   6           H5         C   6  42.254  38.523-103.739
   67    H6     C   6           H6         C   6  40.344  39.892-103.044
   68   1H5*    U   7          1H5*        U   7  33.049  37.787-102.123
   69   2H5*    U   7          2H5*        U   7  33.414  39.470-102.614
   70    H4*    U   7           H4*        U   7  32.556  38.610-104.593
   71    H3*    U   7           H3*        U   7  33.658  36.026-103.582
   72   1H2*    U   7          1H2*        U   7  34.262  35.219-105.626
   73   2HO*    U   7          2HO*        U   7  32.166  36.870-106.540
   74    H1*    U   7           H1*        U   7  34.702  37.657-106.978
   75    H3     U   7           H3         U   7  38.714  35.796-107.611
   76    H5     U   7           H5         U   7  38.503  36.176-103.419
   77    H6     U   7           H6         U   7  36.204  36.908-103.662
   78   1H5*    C   8          1H5*        C   8  31.881  32.579-104.489
   79   2H5*    C   8          2H5*        C   8  30.163  32.121-104.293
   80    H4*    C   8           H4*        C   8  30.958  31.195-106.378
   81    H3*    C   8           H3*        C   8  32.098  33.936-106.704
   82   1H2*    C   8          1H2*        C   8  31.588  34.118-108.902
   83   2HO*    C   8          2HO*        C   8  31.115  32.189-110.176
   84    H1*    C   8           H1*        C   8  29.313  32.492-108.991
   85   1H4     C   8          1H4         C   8  27.123  38.362-109.791
   86   2H4     C   8          2H4         C   8  27.584  38.788-108.159
   87    H5     C   8           H5         C   8  28.747  37.270-106.689
   88    H6     C   8           H6         C   8  29.748  35.077-106.450
   89   1H5*    A   9          1H5*        A   9  34.585  31.959-110.207
   90   2H5*    A   9          2H5*        A   9  32.866  32.441-110.250
   91    H4*    A   9           H4*        A   9  34.257  32.877-112.353
   92    H3*    A   9           H3*        A   9  35.490  34.811-110.424
   93   1H2*    A   9          1H2*        A   9  35.537  36.501-111.958
   94   2HO*    A   9          2HO*        A   9  35.759  36.192-114.103
   95    H1*    A   9           H1*        A   9  33.280  35.794-113.452
   96    H8     A   9           H8         A   9  31.810  36.175-110.225
   97   1H6     A   9          1H6         A   9  33.192  42.178-110.086
   98   2H6     A   9          2H6         A   9  32.249  40.908-109.338
   99    H2     A   9           H2         A   9  35.531  40.275-113.420
  100   1H5*    A  10          1H5*        A  10  40.301  34.136-113.098
  101   2H5*    A  10          2H5*        A  10  38.645  33.713-113.619
  102    H4*    A  10           H4*        A  10  39.241  35.210-115.268
  103    H3*    A  10           H3*        A  10  40.952  36.465-113.165
  104   1H2*    A  10          1H2*        A  10  40.714  38.582-114.012
  105   2HO*    A  10          2HO*        A  10  39.514  38.049-116.410
  106    H1*    A  10           H1*        A  10  38.157  38.385-115.069
  107    H8     A  10           H8         A  10  38.011  37.296-111.515
  108   1H6     A  10          1H6         A  10  38.497  43.204-109.841
  109   2H6     A  10          2H6         A  10  38.100  41.590-109.295
  110    H2     A  10           H2         A  10  39.518  42.884-114.205
  111   1H5*    C  11          1H5*        C  11  45.199  38.025-115.657
  112   2H5*    C  11          2H5*        C  11  43.727  37.724-116.627
  113    H4*    C  11           H4*        C  11  43.902  40.029-116.784
  114    H3*    C  11           H3*        C  11  45.155  39.813-114.078
  115   1H2*    C  11          1H2*        C  11  44.347  41.815-113.328
  116   2HO*    C  11          2HO*        C  11  43.726  42.582-115.995
  117    H1*    C  11           H1*        C  11  41.947  41.908-114.697
  118   1H4     C  11          1H4         C  11  41.319  38.913-108.815
  119   2H4     C  11          2H4         C  11  40.687  40.532-108.611
  120    H5     C  11           H5         C  11  42.316  38.132-110.864
  121    H6     C  11           H6         C  11  42.979  38.758-113.139
  122   1H5*    U  12          1H5*        U  12  48.130  44.282-114.996
  123   2H5*    U  12          2H5*        U  12  46.794  43.981-116.143
  124    H4*    U  12           H4*        U  12  46.344  46.126-115.335
  125    H3*    U  12           H3*        U  12  47.400  45.045-112.757
  126   1H2*    U  12          1H2*        U  12  46.007  46.316-111.459
  127   2HO*    U  12          2HO*        U  12  45.525  48.321-111.945
  128    H1*    U  12           H1*        U  12  43.828  46.514-113.233
  129    H3     U  12           H3         U  12  41.647  44.547-109.866
  130    H5     U  12           H5         U  12  44.954  41.997-110.441
  131    H6     U  12           H6         U  12  45.724  43.492-112.183
  132   1H5*    C  13          1H5*        C  13  49.706  49.792-112.145
  133   2H5*    C  13          2H5*        C  13  48.335  49.032-112.947
  134    H4*    C  13           H4*        C  13  47.535  50.465-111.158
  135    H3*    C  13           H3*        C  13  49.604  48.974-109.594
  136   1H2*    C  13          1H2*        C  13  48.296  48.816-107.704
  137   2HO*    C  13          2HO*        C  13  46.880  50.977-108.846
  138    H1*    C  13           H1*        C  13  45.882  48.441-108.843
  139   1H4     C  13          1H4         C  13  47.522  42.512-107.453
  140   2H4     C  13          2H4         C  13  48.361  42.398-108.984
  141    H5     C  13           H5         C  13  48.818  44.301-110.383
  142    H6     C  13           H6         C  13  48.438  46.702-110.689
  143   1H5*    U  14          1H5*        U  14  50.706  52.136-105.848
  144   2H5*    U  14          2H5*        U  14  49.117  52.211-106.596
  145    H4*    U  14           H4*        U  14  48.538  51.477-104.501
  146    H3*    U  14           H3*        U  14  51.243  50.169-104.481
  147   1H2*    U  14          1H2*        U  14  50.534  48.533-103.018
  148   2HO*    U  14          2HO*        U  14  48.429  50.340-102.378
  149    H1*    U  14           H1*        U  14  47.891  48.343-103.871
  150    H3     U  14           H3         U  14  49.671  44.194-104.227
  151    H5     U  14           H5         U  14  51.026  46.259-107.639
  152    H6     U  14           H6         U  14  50.228  48.309-106.635
  153   1H5*    C  15          1H5*        C  15  51.856  51.257 -99.391
  154   2H5*    C  15          2H5*        C  15  50.491  51.360-100.494
  155    H4*    C  15           H4*        C  15  49.972  49.500 -99.201
  156    H3*    C  15           H3*        C  15  52.932  49.020 -99.250
  157   1H2*    C  15          1H2*        C  15  52.686  46.742 -99.143
  158   2HO*    C  15          2HO*        C  15  50.618  45.811 -98.500
  159    H1*    C  15           H1*        C  15  50.280  46.510-100.471
  160   1H4     C  15          1H4         C  15  54.335  43.920-104.526
  161   2H4     C  15          2H4         C  15  54.626  45.501-105.225
  162    H5     C  15           H5         C  15  53.907  47.562-104.181
  163    H6     C  15           H6         C  15  52.574  48.536-102.377
  164   1H5*    C  16          1H5*        C  16  53.574  47.234 -94.409
  165   2H5*    C  16          2H5*        C  16  52.029  47.382 -95.235
  166    H4*    C  16           H4*        C  16  52.294  45.088 -95.162
  167    H3*    C  16           H3*        C  16  55.213  45.716 -95.397
  168   1H2*    C  16          1H2*        C  16  55.666  43.758 -96.494
  169   2HO*    C  16          2HO*        C  16  54.031  42.011 -96.445
  170    H1*    C  16           H1*        C  16  53.239  43.381 -97.734
  171   1H4     C  16          1H4         C  16  57.071  46.126-102.262
  172   2H4     C  16          2H4         C  16  57.318  44.400-102.429
  173    H5     C  16           H5         C  16  55.871  47.121-100.418
  174    H6     C  16           H6         C  16  54.584  46.654 -98.370
  175   1H5*    C  17          1H5*        C  17  57.096  42.402 -91.573
  176   2H5*    C  17          2H5*        C  17  55.429  42.210 -92.098
  177    H4*    C  17           H4*        C  17  56.301  40.153 -92.670
  178    H3*    C  17           H3*        C  17  58.863  41.666 -93.046
  179   1H2*    C  17          1H2*        C  17  59.623  40.262 -94.700
  180   2HO*    C  17          2HO*        C  17  58.618  38.159 -95.014
  181    H1*    C  17           H1*        C  17  57.202  39.562 -95.849
  182   1H4     C  17          1H4         C  17  59.040  44.839 -99.244
  183   2H4     C  17          2H4         C  17  59.764  43.489-100.085
  184    H5     C  17           H5         C  17  58.041  44.653 -97.068
  185    H6     C  17           H6         C  17  57.366  43.111 -95.294
  186   1H5*    C  18          1H5*        C  18  61.778  37.563 -92.522
  187   2H5*    C  18          2H5*        C  18  60.049  37.708 -92.798
  188    H4*    C  18           H4*        C  18  60.753  37.033 -94.881
  189    H3*    C  18           H3*        C  18  63.287  38.465 -94.179
  190   1H2*    C  18          1H2*        C  18  63.748  39.023 -96.367
  191   2HO*    C  18          2HO*        C  18  62.073  36.817 -96.993
  192    H1*    C  18           H1*        C  18  61.120  39.166 -97.330
  193   1H4     C  18          1H4         C  18  62.956  45.183 -97.529
  194   2H4     C  18          2H4         C  18  62.458  45.383 -95.861
  195    H5     C  18           H5         C  18  61.835  43.536 -94.437
  196    H6     C  18           H6         C  18  61.532  41.112 -94.314
  197   1H5*    C  19          1H5*        C  19  65.649  34.840 -97.272
  198   2H5*    C  19          2H5*        C  19  63.989  35.356 -97.009
  199    H4*    C  19           H4*        C  19  64.380  36.044 -99.190
  200    H3*    C  19           H3*        C  19  67.165  36.505 -98.205
  201   1H2*    C  19          1H2*        C  19  67.538  38.275 -99.617
  202   2HO*    C  19          2HO*        C  19  65.461  37.145-101.190
  203    H1*    C  19           H1*        C  19  64.924  39.184 -99.864
  204   1H4     C  19          1H4         C  19  67.716  43.876 -96.756
  205   2H4     C  19          2H4         C  19  67.414  43.052 -95.241
  206    H5     C  19           H5         C  19  66.662  40.761 -95.112
  207    H6     C  19           H6         C  19  65.902  38.822 -96.408
  208   1H5*    C  20          1H5*        C  20  69.593  34.767-102.663
  209   2H5*    C  20          2H5*        C  20  67.883  35.175-102.686
  210    H4*    C  20           H4*        C  20  68.723  36.658-104.254
  211    H3*    C  20           H3*        C  20  71.152  36.524-102.548
  212   1H2*    C  20          1H2*        C  20  71.825  38.650-102.947
  213   2HO*    C  20          2HO*        C  20  70.221  38.474-105.297
  214    H1*    C  20           H1*        C  20  69.354  39.817-103.392
  215   1H4     C  20          1H4         C  20  71.072  42.332 -97.894
  216   2H4     C  20          2H4         C  20  70.498  40.901 -97.059
  217    H5     C  20           H5         C  20  69.873  38.871 -98.217
  218    H6     C  20           H6         C  20  69.442  37.853-100.410
  219   1H5*    C  21          1H5*        C  21  74.043  36.365-106.256
  220   2H5*    C  21          2H5*        C  21  72.998  37.400-105.245
  221    H4*    C  21           H4*        C  21  75.352  38.224-105.566
  222    H3*    C  21           H3*        C  21  75.921  35.667-104.125
  223   1H2*    C  21          1H2*        C  21  77.504  36.660-102.766
  224   2HO*    C  21          2HO*        C  21  78.616  37.521-104.641
  225    H1*    C  21           H1*        C  21  76.460  39.302-102.828
  226   1H4     C  21          1H4         C  21  76.465  36.764 -96.924
  227   2H4     C  21          2H4         C  21  74.719  36.823 -97.018
  228    H5     C  21           H5         C  21  73.535  37.392 -99.024
  229    H6     C  21           H6         C  21  73.731  38.037-101.385
  230   1H5*    U  22          1H5*        U  22  79.741  34.554-107.684
  231   2H5*    U  22          2H5*        U  22  80.267  36.152-107.076
  232    H4*    U  22           H4*        U  22  81.892  35.125-105.612
  233    H3*    U  22           H3*        U  22  82.001  34.951-108.429
  234   1H2*    U  22          1H2*        U  22  81.832  32.710-108.710
  235   2HO*    U  22          2HO*        U  22  83.814  32.115-109.073
  236    H1*    U  22           H1*        U  22  82.906  31.928-106.052
  237    H3     U  22           H3         U  22  81.698  28.002-108.130
  238    H5     U  22           H5         U  22  78.090  29.884-107.031
  239    H6     U  22           H6         U  22  79.366  31.861-106.467
  240   1H5*    U  23          1H5*        U  23  85.174  33.003-108.426
  241   2H5*    U  23          2H5*        U  23  85.765  33.666-109.978
  242    H4*    U  23           H4*        U  23  87.372  32.046-109.366
  243    H3*    U  23           H3*        U  23  86.868  33.054-106.599
  244   1H2*    U  23          1H2*        U  23  89.036  32.833-105.910
  245   2HO*    U  23          2HO*        U  23  89.000  30.754-107.664
  246    H1*    U  23           H1*        U  23  90.339  33.441-108.216
  247    H3     U  23           H3         U  23  91.300  36.504-104.935
  248    H5     U  23           H5         U  23  87.872  37.933-106.932
  249    H6     U  23           H6         U  23  87.723  35.793-108.065
  250   1H5*    U  24          1H5*        U  24  88.003  29.337-104.443
  251   2H5*    U  24          2H5*        U  24  88.667  30.729-105.340
  252    H4*    U  24           H4*        U  24  89.354  30.103-102.801
  253    H3*    U  24           H3*        U  24  86.917  31.844-102.676
  254   1H2*    U  24          1H2*        U  24  87.820  33.164-101.047
  255   2HO*    U  24          2HO*        U  24  88.601  30.927-100.048
  256    H1*    U  24           H1*        U  24  90.520  32.857-101.742
  257    H3     U  24           H3         U  24  90.041  37.302-101.524
  258    H5     U  24           H5         U  24  87.510  36.226-104.715
  259    H6     U  24           H6         U  24  88.025  33.907-104.261
  260   1H5*    U  25          1H5*        U  25  84.851  29.689 -98.124
  261   2H5*    U  25          2H5*        U  25  86.465  29.209 -98.620
  262    H4*    U  25           H4*        U  25  86.865  29.991 -96.491
  263    H3*    U  25           H3*        U  25  84.709  32.008 -97.065
  264   1H2*    U  25          1H2*        U  25  85.572  33.368 -95.369
  265   2HO*    U  25          2HO*        U  25  86.654  30.951 -94.468
  266    H1*    U  25           H1*        U  25  88.200  32.816 -95.860
  267    H3     U  25           H3         U  25  87.501  37.301 -96.380
  268    H5     U  25           H5         U  25  86.614  35.562-100.104
  269    H6     U  25           H6         U  25  86.715  33.373 -99.047
  270   1H5*    C  26          1H5*        C  26  81.309  31.839 -93.362
  271   2H5*    C  26          2H5*        C  26  82.924  31.174 -93.164
  272    H4*    C  26           H4*        C  26  83.031  33.110 -91.894
  273    H3*    C  26           H3*        C  26  81.169  34.222 -93.961
  274   1H2*    C  26          1H2*        C  26  81.997  36.360 -93.766
  275   2HO*    C  26          2HO*        C  26  82.822  35.478 -91.218
  276    H1*    C  26           H1*        C  26  84.620  35.789 -93.242
  277   1H4     C  26          1H4         C  26  84.848  37.638 -99.248
  278   2H4     C  26          2H4         C  26  84.555  35.989 -99.759
  279    H5     C  26           H5         C  26  83.834  34.245 -98.248
  280    H6     C  26           H6         C  26  83.428  33.671 -95.904
  281   1H5*    C  27          1H5*        C  27  78.164  37.146 -90.965
  282   2H5*    C  27          2H5*        C  27  79.719  36.426 -90.568
  283    H4*    C  27           H4*        C  27  80.316  38.628 -90.892
  284    H3*    C  27           H3*        C  27  78.108  38.668 -92.932
  285   1H2*    C  27          1H2*        C  27  79.164  40.294 -94.184
  286   2HO*    C  27          2HO*        C  27  80.229  41.002 -91.689
  287    H1*    C  27           H1*        C  27  81.818  39.651 -93.479
  288   1H4     C  27          1H4         C  27  81.603  38.493 -99.642
  289   2H4     C  27          2H4         C  27  81.206  36.825 -99.287
  290    H5     C  27           H5         C  27  80.509  36.070 -97.100
  291    H6     C  27           H6         C  27  80.252  36.707 -94.748
  292   1H5*    G  28          1H5*        G  28  76.408  43.616 -91.520
  293   2H5*    G  28          2H5*        G  28  77.942  42.952 -90.976
  294    H4*    G  28           H4*        G  28  78.670  44.789 -92.171
  295    H3*    G  28           H3*        G  28  76.193  44.338 -93.791
  296   1H2*    G  28          1H2*        G  28  77.111  45.117 -95.741
  297   2HO*    G  28          2HO*        G  28  78.941  46.457 -94.034
  298    H1*    G  28           H1*        G  28  79.742  44.339 -95.358
  299    H8     G  28           H8         G  28  77.388  41.479 -94.716
  300    H1     G  28           H1         G  28  78.703  42.322-100.897
  301   1H2     G  28          1H2         G  28  79.870  45.454 -99.910
  302   2H2     G  28          2H2         G  28  79.591  44.330-101.223
  303   1H5*    A  29          1H5*        A  29  75.469  49.658 -94.493
  304   2H5*    A  29          2H5*        A  29  76.924  48.895 -93.863
  305    H4*    A  29           H4*        A  29  77.727  49.832 -95.822
  306    H3*    A  29           H3*        A  29  74.932  49.381 -96.780
  307   1H2*    A  29          1H2*        A  29  75.534  49.032 -98.968
  308   2HO*    A  29          2HO*        A  29  77.857  50.491 -98.255
  309    H1*    A  29           H1*        A  29  78.000  47.828 -98.564
  310    H8     A  29           H8         A  29  75.373  46.213 -96.414
  311   1H6     A  29          1H6         A  29  74.383  42.413-101.153
  312   2H6     A  29          2H6         A  29  74.175  42.645 -99.431
  313    H2     A  29           H2         A  29  76.713  45.953-102.663
  314   1H5*    G  30          1H5*        G  30  73.631  52.699 -99.876
  315   2H5*    G  30          2H5*        G  30  75.285  52.165 -99.623
  316    H4*    G  30           H4*        G  30  74.643  51.150-101.637
  317    H3*    G  30           H3*        G  30  72.030  50.690-100.232
  318   1H2*    G  30          1H2*        G  30  71.610  48.788-101.469
  319   2HO*    G  30          2HO*        G  30  73.817  49.312-103.174
  320    H1*    G  30           H1*        G  30  74.198  47.842-101.594
  321    H8     G  30           H8         G  30  73.242  48.880 -98.068
  322    H1     G  30           H1         G  30  71.258  43.055 -99.731
  323   1H2     G  30          1H2         G  30  72.002  44.107-102.964
  324   2H2     G  30          2H2         G  30  71.402  42.832-101.926
  325   1H5*    G  31          1H5*        G  31  69.155  51.755-104.497
  326   2H5*    G  31          2H5*        G  31  70.867  51.437-104.248
  327    H4*    G  31           H4*        G  31  70.120  49.465-105.213
  328    H3*    G  31           H3*        G  31  67.618  49.987-103.648
  329   1H2*    G  31          1H2*        G  31  67.156  47.732-103.432
  330   2HO*    G  31          2HO*        G  31  68.771  47.476-105.754
  331    H1*    G  31           H1*        G  31  69.806  46.787-103.502
  332    H8     G  31           H8         G  31  69.367  49.260-100.727
  333    H1     G  31           H1         G  31  67.381  43.383 -99.237
  334   1H2     G  31          1H2         G  31  67.375  42.857-102.685
  335   2H2     G  31          2H2         G  31  67.069  42.201-101.092
  336   1H5*    G  32          1H5*        G  32  65.141  47.722-107.912
  337   2H5*    G  32          2H5*        G  32  66.829  47.830-107.440
  338    H4*    G  32           H4*        G  32  66.495  45.549-107.401
  339    H3*    G  32           H3*        G  32  63.701  46.290-106.644
  340   1H2*    G  32          1H2*        G  32  63.367  44.403-105.366
  341   2HO*    G  32          2HO*        G  32  65.008  42.610-105.625
  342    H1*    G  32           H1*        G  32  65.983  43.974-104.512
  343    H8     G  32           H8         G  32  64.857  47.481-103.776
  344    H1     G  32           H1         G  32  63.163  43.291 -99.285
  345   1H2     G  32          1H2         G  32  63.849  40.878-101.702
  346   2H2     G  32          2H2         G  32  63.311  41.229-100.074
  347   1H5*    U  33          1H5*        U  33  61.574  42.476-107.927
  348   2H5*    U  33          2H5*        U  33  60.503  43.752-108.591
  349    H4*    U  33           H4*        U  33  60.413  41.112-109.295
  350    H3*    U  33           H3*        U  33  62.691  42.112-110.647
  351   1H2*    U  33          1H2*        U  33  61.684  43.245-112.340
  352   2HO*    U  33          2HO*        U  33  60.943  40.588-113.093
  353    H1*    U  33           H1*        U  33  59.140  41.712-112.330
  354    H3     U  33           H3         U  33  57.432  44.870-114.986
  355    H5     U  33           H5         U  33  59.640  47.121-112.188
  356    H6     U  33           H6         U  33  60.355  45.033-111.172
  357   1H5*    C  34          1H5*        C  34  64.315  40.923-113.689
  358   2H5*    C  34          2H5*        C  34  64.610  41.458-112.009
  359    H4*    C  34           H4*        C  34  66.298  39.242-113.158
  360    H3*    C  34           H3*        C  34  66.477  41.318-111.026
  361   1H2*    C  34          1H2*        C  34  68.686  41.807-111.359
  362   2HO*    C  34          2HO*        C  34  69.519  39.799-112.978
  363    H1*    C  34           H1*        C  34  68.886  41.203-114.103
  364   1H4     C  34          1H4         C  34  67.734  47.586-112.696
  365   2H4     C  34          2H4         C  34  69.146  47.540-113.728
  366    H5     C  34           H5         C  34  66.566  45.603-111.973
  367    H6     C  34           H6         C  34  66.431  43.183-112.151
  368   1H5*    A  35          1H5*        A  35  69.902  37.664-109.807
  369   2H5*    A  35          2H5*        A  35  68.957  38.707-110.910
  370    H4*    A  35           H4*        A  35  71.078  39.603-111.138
  371    H3*    A  35           H3*        A  35  71.653  38.275-108.746
  372   1H2*    A  35          1H2*        A  35  71.286  39.864-107.235
  373   2HO*    A  35          2HO*        A  35  73.135  41.504-107.314
  374    H1*    A  35           H1*        A  35  71.805  42.184-108.998
  375    H8     A  35           H8         A  35  68.492  42.186-108.853
  376   1H6     A  35          1H6         A  35  67.538  44.436-104.673
  377   2H6     A  35          2H6         A  35  68.400  44.521-103.156
  378    H2     A  35           H2         A  35  72.278  42.345-103.741
  379   1H5*    U  36          1H5*        U  36  76.802  39.826-110.584
  380   2H5*    U  36          2H5*        U  36  75.124  40.226-110.906
  381    H4*    U  36           H4*        U  36  76.091  42.294-110.485
  382    H3*    U  36           H3*        U  36  77.710  40.844-108.409
  383   1H2*    U  36          1H2*        U  36  77.877  42.743-107.107
  384   2HO*    U  36          2HO*        U  36  77.535  44.044-109.565
  385    H1*    U  36           H1*        U  36  75.436  43.887-107.747
  386    H3     U  36           H3         U  36  75.682  43.409-103.235
  387    H5     U  36           H5         U  36  74.157  39.804-104.773
  388    H6     U  36           H6         U  36  74.823  40.514-106.978
  389   1H5*    C  37          1H5*        C  37  82.013  43.572-109.421
  390   2H5*    C  37          2H5*        C  37  80.315  43.717-109.858
  391    H4*    C  37           H4*        C  37  80.585  45.276-108.141
  392    H3*    C  37           H3*        C  37  82.330  43.186-106.845
  393   1H2*    C  37          1H2*        C  37  81.752  43.943-104.747
  394   2HO*    C  37          2HO*        C  37  80.919  46.057-104.418
  395    H1*    C  37           H1*        C  37  79.197  44.919-105.391
  396   1H4     C  37          1H4         C  37  78.396  40.311-101.173
  397   2H4     C  37          2H4         C  37  78.153  39.181-102.486
  398    H5     C  37           H5         C  37  78.627  39.711-104.792
  399    H6     C  37           H6         C  37  79.278  41.490-106.343
  400   1H5*    G  38          1H5*        G  38  85.824  46.740-104.804
  401   2H5*    G  38          2H5*        G  38  84.263  47.244-105.435
  402    H4*    G  38           H4*        G  38  84.028  47.899-103.240
  403    H3*    G  38           H3*        G  38  85.969  45.684-102.681
  404   1H2*    G  38          1H2*        G  38  85.125  45.229-100.595
  405   2HO*    G  38          2HO*        G  38  83.593  46.811 -99.624
  406    H1*    G  38           H1*        G  38  82.463  45.823-101.039
  407    H8     G  38           H8         G  38  83.871  43.544-103.716
  408    H1     G  38           H1         G  38  81.972  40.478 -98.462
  409   1H2     G  38          1H2         G  38  82.063  43.628 -96.975
  410   2H2     G  38          2H2         G  38  81.764  41.915 -96.786
  411   1H5*    G  39          1H5*        G  39  88.399  48.038 -98.763
  412   2H5*    G  39          2H5*        G  39  86.895  48.403 -99.602
  413    H4*    G  39           H4*        G  39  86.091  47.391 -97.683
  414    H3*    G  39           H3*        G  39  88.687  45.925 -97.737
  415   1H2*    G  39          1H2*        G  39  87.764  43.913 -97.043
  416   2HO*    G  39          2HO*        G  39  85.906  43.941 -95.667
  417    H1*    G  39           H1*        G  39  85.058  44.444 -97.531
  418    H8     G  39           H8         G  39  86.870  43.950-100.775
  419    H1     G  39           H1         G  39  85.068  38.615 -97.802
  420   1H2     G  39          1H2         G  39  84.657  39.046 -95.667
  421   2H2     G  39          2H2         G  39  84.823  40.652 -94.995
  422   1H5*    A  40          1H5*        A  40  90.783  46.277 -93.496
  423   2H5*    A  40          2H5*        A  40  90.075  47.239 -92.202
  424    H4*    A  40           H4*        A  40  89.723  45.355 -91.008
  425    H3*    A  40           H3*        A  40  90.892  44.053 -93.488
  426   1H2*    A  40          1H2*        A  40  90.379  41.933 -92.572
  427   2HO*    A  40          2HO*        A  40  89.428  41.752 -90.492
  428    H1*    A  40           H1*        A  40  87.846  42.511 -92.077
  429    H8     A  40           H8         A  40  88.968  44.493 -95.028
  430   1H6     A  40          1H6         A  40  87.879  39.422 -98.381
  431   2H6     A  40          2H6         A  40  88.065  41.162 -98.436
  432    H2     A  40           H2         A  40  87.987  38.229 -94.048
  433   1H5*    A  41          1H5*        A  41  92.987  41.763 -89.400
  434   2H5*    A  41          2H5*        A  41  91.575  42.637 -90.066
  435    H4*    A  41           H4*        A  41  90.804  40.522 -89.205
  436    H3*    A  41           H3*        A  41  93.214  39.513 -90.638
  437   1H2*    A  41          1H2*        A  41  92.202  37.642 -91.471
  438   2HO*    A  41          2HO*        A  41  90.083  37.897 -89.597
  439    H1*    A  41           H1*        A  41  89.585  38.576 -91.665
  440    H8     A  41           H8         A  41  92.004  40.845 -93.433
  441   1H6     A  41          1H6         A  41  92.223  38.612 -97.705
  442   2H6     A  41          2H6         A  41  91.717  37.029 -98.249
  443    H2     A  41           H2         A  41  89.807  34.995 -94.731
  444   1H5*    C  42          1H5*        C  42  93.412  35.777 -88.094
  445   2H5*    C  42          2H5*        C  42  92.526  36.323 -89.548
  446    H4*    C  42           H4*        C  42  93.805  33.939 -89.359
  447    H3*    C  42           H3*        C  42  95.817  35.982 -90.203
  448   1H2*    C  42          1H2*        C  42  96.484  34.848 -92.028
  449   2HO*    C  42          2HO*        C  42  96.910  32.807 -91.900
  450    H1*    C  42           H1*        C  42  94.215  33.433 -92.635
  451   1H4     C  42          1H4         C  42  94.729  37.696 -97.300
  452   2H4     C  42          2H4         C  42  94.786  39.021 -96.160
  453    H5     C  42           H5         C  42  94.697  38.718 -93.781
  454    H6     C  42           H6         C  42  94.535  37.084 -91.964
  455   1H5*    C  43          1H5*        C  43  98.005  31.674 -88.975
  456   2H5*    C  43          2H5*        C  43  97.021  32.609 -90.140
  457    H4*    C  43           H4*        C  43  98.787  30.688 -90.865
  458    H3*    C  43           H3*        C  43 100.282  33.249 -90.513
  459   1H2*    C  43          1H2*        C  43 101.303  33.163 -92.545
  460   2HO*    C  43          2HO*        C  43 101.466  30.585 -91.988
  461    H1*    C  43           H1*        C  43  99.319  31.811 -93.990
  462   1H4     C  43          1H4         C  43  99.528  37.841 -95.987
  463   2H4     C  43          2H4         C  43  98.958  38.428 -94.441
  464    H5     C  43           H5         C  43  98.565  36.997 -92.550
  465    H6     C  43           H6         C  43  98.474  34.649 -91.767
  466   1H5*    A  44          1H5*        A  44 102.844  28.698 -88.344
  467   2H5*    A  44          2H5*        A  44 101.893  29.384 -89.694
  468    H4*    A  44           H4*        A  44 103.912  28.205 -90.491
  469    H3*    A  44           H3*        A  44 105.162  29.762 -88.362
  470   1H2*    A  44          1H2*        A  44 106.287  31.232 -89.582
  471   2HO*    A  44          2HO*        A  44 108.084  30.270 -90.081
  472    H1*    A  44           H1*        A  44 105.726  30.126 -92.259
  473    H8     A  44           H8         A  44 103.273  32.646 -91.247
  474   1H6     A  44          1H6         A  44 105.489  36.711 -92.622
  475   2H6     A  44          2H6         A  44 107.128  37.071 -93.116
  476    H2     A  44           H2         A  44 109.417  33.204 -92.949
  477    H3T    A  44           H3T        A  44 105.382  27.470 -88.838
   
  Start of MODEL   24
    1   1H5*    G   1          1H5*        G   1  62.688  39.881-112.971
    2   2H5*    G   1          2H5*        G   1  63.168  40.832-111.544
    3    H4*    G   1           H4*        G   1  63.401  38.131-111.727
    4    H3*    G   1           H3*        G   1  60.613  38.760-110.914
    5   1H2*    G   1          1H2*        G   1  60.629  37.506-108.944
    6   2HO*    G   1          2HO*        G   1  62.092  35.893-108.562
    7    H1*    G   1           H1*        G   1  63.069  38.070-108.052
    8    H8     G   1           H8         G   1  62.069  41.241-109.691
    9    H1     G   1           H1         G   1  59.992  40.772-103.691
   10   1H2     G   1          1H2         G   1  60.563  37.363-104.044
   11   2H2     G   1          2H2         G   1  60.017  38.674-103.017
   12    H5T    G   1           H5T        G   1  61.070  41.334-112.266
   13   1H5*    G   2          1H5*        G   2  58.159  34.903-110.911
   14   2H5*    G   2          2H5*        G   2  59.838  35.276-110.549
   15    H4*    G   2           H4*        G   2  58.763  35.120-108.458
   16    H3*    G   2           H3*        G   2  56.586  36.781-109.725
   17   1H2*    G   2          1H2*        G   2  56.111  37.721-107.662
   18   2HO*    G   2          2HO*        G   2  57.395  35.424-106.578
   19    H1*    G   2           H1*        G   2  58.684  37.531-106.575
   20    H8     G   2           H8         G   2  58.679  39.641-109.665
   21    H1     G   2           H1         G   2  56.489  42.683-104.517
   22   1H2     G   2          1H2         G   2  56.180  39.489-103.160
   23   2H2     G   2          2H2         G   2  55.971  41.211-102.940
   24   1H5*    G   3          1H5*        G   3  53.069  33.378-107.221
   25   2H5*    G   3          2H5*        G   3  54.801  33.685-107.132
   26    H4*    G   3           H4*        G   3  53.916  34.328-105.019
   27    H3*    G   3           H3*        G   3  51.734  35.491-106.699
   28   1H2*    G   3          1H2*        G   3  51.481  37.359-105.391
   29   2HO*    G   3          2HO*        G   3  52.621  35.766-103.332
   30    H1*    G   3           H1*        G   3  54.060  37.540-104.363
   31    H8     G   3           H8         G   3  54.019  37.599-108.125
   32    H1     G   3           H1         G   3  52.906  43.259-105.421
   33   1H2     G   3          1H2         G   3  52.271  41.403-102.544
   34   2H2     G   3          2H2         G   3  52.345  42.981-103.294
   35   1H5*    A   4          1H5*        A   4  48.401  34.032-102.402
   36   2H5*    A   4          2H5*        A   4  50.159  34.046-102.414
   37    H4*    A   4           H4*        A   4  49.590  35.300-100.505
   38    H3*    A   4           H3*        A   4  47.358  36.316-102.227
   39   1H2*    A   4          1H2*        A   4  47.395  38.437-101.333
   40   2HO*    A   4          2HO*        A   4  48.806  37.222 -99.181
   41    H1*    A   4           H1*        A   4  50.085  38.731-100.972
   42    H8     A   4           H8         A   4  49.410  37.131-104.292
   43   1H6     A   4          1H6         A   4  49.084  42.836-106.572
   44   2H6     A   4          2H6         A   4  49.291  41.145-106.967
   45    H2     A   4           H2         A   4  48.849  43.104-102.091
   46   1H5*    G   5          1H5*        G   5  44.007  37.214 -98.510
   47   2H5*    G   5          2H5*        G   5  45.761  37.095 -98.532
   48    H4*    G   5           H4*        G   5  45.329  39.393 -98.270
   49    H3*    G   5           H3*        G   5  43.111  38.873-100.212
   50   1H2*    G   5          1H2*        G   5  43.310  40.930-101.226
   51   2HO*    G   5          2HO*        G   5  44.369  41.686 -98.723
   52    H1*    G   5           H1*        G   5  46.054  41.351-100.790
   53    H8     G   5           H8         G   5  45.531  38.103-102.558
   54    H1     G   5           H1         G   5  45.499  43.115-106.491
   55   1H2     G   5          1H2         G   5  45.163  44.992-105.361
   56   2H2     G   5          2H2         G   5  44.957  45.007-103.620
   57   1H5*    C   6          1H5*        C   6  39.816  41.514 -97.628
   58   2H5*    C   6          2H5*        C   6  41.061  42.173 -98.732
   59    H4*    C   6           H4*        C   6  38.855  43.170 -99.183
   60    H3*    C   6           H3*        C   6  38.068  40.286 -99.297
   61   1H2*    C   6          1H2*        C   6  36.756  40.513-101.155
   62   2HO*    C   6          2HO*        C   6  35.945  42.550-101.827
   63    H1*    C   6           H1*        C   6  38.149  42.490-102.491
   64   1H4     C   6          1H4         C   6  39.476  37.001-105.414
   65   2H4     C   6          2H4         C   6  40.497  36.500-104.084
   66    H5     C   6           H5         C   6  40.754  37.785-102.062
   67    H6     C   6           H6         C   6  40.096  39.831-100.883
   68   1H5*    U   7          1H5*        U   7  33.228  40.973 -98.004
   69   2H5*    U   7          2H5*        U   7  34.404  41.863 -99.014
   70    H4*    U   7           H4*        U   7  32.739  40.967-100.486
   71    H3*    U   7           H3*        U   7  33.094  38.507 -98.822
   72   1H2*    U   7          1H2*        U   7  32.961  37.064-100.600
   73   2HO*    U   7          2HO*        U   7  31.922  37.664-102.554
   74    H1*    U   7           H1*        U   7  33.931  38.766-102.623
   75    H3     U   7           H3         U   7  36.736  35.317-103.094
   76    H5     U   7           H5         U   7  37.580  36.689 -99.201
   77    H6     U   7           H6         U   7  35.749  38.259 -99.423
   78   1H5*    C   8          1H5*        C   8  30.743  35.798 -98.535
   79   2H5*    C   8          2H5*        C   8  29.011  35.727 -98.084
   80    H4*    C   8           H4*        C   8  29.503  34.103 -99.843
   81    H3*    C   8           H3*        C   8  31.045  36.313-100.914
   82   1H2*    C   8          1H2*        C   8  29.826  36.872-102.675
   83   2HO*    C   8          2HO*        C   8  29.284  35.147-104.211
   84    H1*    C   8           H1*        C   8  27.722  34.866-102.563
   85   1H4     C   8          1H4         C   8  24.695  40.190-104.095
   86   2H4     C   8          2H4         C   8  25.646  41.112-102.952
   87    H5     C   8           H5         C   8  27.371  40.118-101.583
   88    H6     C   8           H6         C   8  28.571  38.084-101.026
   89   1H5*    A   9          1H5*        A   9  32.865  32.957-104.546
   90   2H5*    A   9          2H5*        A   9  31.081  33.056-104.537
   91    H4*    A   9           H4*        A   9  32.107  33.146-106.825
   92    H3*    A   9           H3*        A   9  33.386  35.558-105.594
   93   1H2*    A   9          1H2*        A   9  33.068  36.862-107.448
   94   2HO*    A   9          2HO*        A   9  32.718  35.957-109.525
   95    H1*    A   9           H1*        A   9  30.712  35.717-108.404
   96    H8     A   9           H8         A   9  29.652  36.584-105.120
   97   1H6     A   9          1H6         A   9  30.212  42.596-106.339
   98   2H6     A   9          2H6         A   9  29.535  41.412-105.241
   99    H2     A   9           H2         A   9  32.389  40.310-109.541
  100   1H5*    A  10          1H5*        A  10  37.844  34.259-108.672
  101   2H5*    A  10          2H5*        A  10  36.122  33.804-108.852
  102    H4*    A  10           H4*        A  10  36.608  34.855-110.889
  103    H3*    A  10           H3*        A  10  38.386  36.613-109.243
  104   1H2*    A  10          1H2*        A  10  37.943  38.503-110.462
  105   2HO*    A  10          2HO*        A  10  36.863  36.846-112.513
  106    H1*    A  10           H1*        A  10  35.313  38.074-111.102
  107    H8     A  10           H8         A  10  35.661  37.341-107.465
  108   1H6     A  10          1H6         A  10  35.893  43.406-106.429
  109   2H6     A  10          2H6         A  10  35.683  41.834-105.691
  110    H2     A  10           H2         A  10  36.403  42.711-110.838
  111   1H5*    C  11          1H5*        C  11  41.451  37.591-113.253
  112   2H5*    C  11          2H5*        C  11  39.701  37.250-113.111
  113    H4*    C  11           H4*        C  11  39.988  39.496-113.966
  114    H3*    C  11           H3*        C  11  41.959  39.691-111.720
  115   1H2*    C  11          1H2*        C  11  41.345  41.818-111.133
  116   2HO*    C  11          2HO*        C  11  41.538  42.644-113.280
  117    H1*    C  11           H1*        C  11  38.666  41.741-111.795
  118   1H4     C  11          1H4         C  11  39.722  39.971-105.494
  119   2H4     C  11          2H4         C  11  39.003  41.566-105.457
  120    H5     C  11           H5         C  11  40.273  38.820-107.536
  121    H6     C  11           H6         C  11  40.284  38.959-109.982
  122   1H5*    U  12          1H5*        U  12  44.034  43.762-114.624
  123   2H5*    U  12          2H5*        U  12  42.330  43.225-114.707
  124    H4*    U  12           H4*        U  12  42.420  45.629-114.323
  125    H3*    U  12           H3*        U  12  44.330  44.808-112.171
  126   1H2*    U  12          1H2*        U  12  43.525  46.315-110.643
  127   2HO*    U  12          2HO*        U  12  42.327  48.163-111.286
  128    H1*    U  12           H1*        U  12  40.849  46.406-111.474
  129    H3     U  12           H3         U  12  39.982  44.778-107.411
  130    H5     U  12           H5         U  12  43.007  42.192-108.801
  131    H6     U  12           H6         U  12  43.090  43.500-110.847
  132   1H5*    C  13          1H5*        C  13  46.784  49.367-112.336
  133   2H5*    C  13          2H5*        C  13  45.166  48.786-112.712
  134    H4*    C  13           H4*        C  13  45.037  50.176-110.745
  135    H3*    C  13           H3*        C  13  47.398  48.534-109.906
  136   1H2*    C  13          1H2*        C  13  46.717  48.430-107.682
  137   2HO*    C  13          2HO*        C  13  44.972  49.736-106.918
  138    H1*    C  13           H1*        C  13  44.117  48.013-108.043
  139   1H4     C  13          1H4         C  13  46.090  42.025-107.881
  140   2H4     C  13          2H4         C  13  46.397  42.090-109.603
  141    H5     C  13           H5         C  13  46.403  44.141-110.862
  142    H6     C  13           H6         C  13  45.964  46.550-110.775
  143   1H5*    U  14          1H5*        U  14  49.683  51.959-106.873
  144   2H5*    U  14          2H5*        U  14  47.965  51.864-107.240
  145    H4*    U  14           H4*        U  14  48.061  51.318-104.973
  146    H3*    U  14           H3*        U  14  50.605  49.886-105.699
  147   1H2*    U  14          1H2*        U  14  50.264  48.270-104.077
  148   2HO*    U  14          2HO*        U  14  48.512  50.185-102.927
  149    H1*    U  14           H1*        U  14  47.516  48.107-104.211
  150    H3     U  14           H3         U  14  49.096  44.001-105.249
  151    H5     U  14           H5         U  14  49.372  46.214-108.821
  152    H6     U  14           H6         U  14  48.945  48.219-107.538
  153   1H5*    C  15          1H5*        C  15  52.168  51.093-100.800
  154   2H5*    C  15          2H5*        C  15  50.726  51.101-101.812
  155    H4*    C  15           H4*        C  15  50.538  49.235-100.334
  156    H3*    C  15           H3*        C  15  53.398  48.758-101.119
  157   1H2*    C  15          1H2*        C  15  53.138  46.467-101.066
  158   2HO*    C  15          2HO*        C  15  51.283  45.512-100.010
  159    H1*    C  15           H1*        C  15  50.507  46.322-101.862
  160   1H4     C  15          1H4         C  15  53.539  44.178-106.931
  161   2H4     C  15          2H4         C  15  53.656  45.816-107.539
  162    H5     C  15           H5         C  15  53.193  47.763-106.183
  163    H6     C  15           H6         C  15  52.306  48.546-104.040
  164   1H5*    C  16          1H5*        C  16  54.442  46.578 -96.554
  165   2H5*    C  16          2H5*        C  16  53.007  46.961 -97.497
  166    H4*    C  16           H4*        C  16  53.313  44.597 -97.613
  167    H3*    C  16           H3*        C  16  56.170  45.323 -98.213
  168   1H2*    C  16          1H2*        C  16  56.391  43.520 -99.621
  169   2HO*    C  16          2HO*        C  16  54.198  42.425 -98.192
  170    H1*    C  16           H1*        C  16  53.777  43.341-100.474
  171   1H4     C  16          1H4         C  16  56.921  46.555-105.210
  172   2H4     C  16          2H4         C  16  57.076  44.854-105.609
  173    H5     C  16           H5         C  16  56.066  47.342-103.083
  174    H6     C  16           H6         C  16  55.112  46.651-100.923
  175   1H5*    C  17          1H5*        C  17  58.079  41.225 -95.149
  176   2H5*    C  17          2H5*        C  17  56.425  41.432 -95.707
  177    H4*    C  17           H4*        C  17  57.065  39.382 -96.638
  178    H3*    C  17           H3*        C  17  59.726  40.712 -96.965
  179   1H2*    C  17          1H2*        C  17  60.218  39.598 -98.916
  180   2HO*    C  17          2HO*        C  17  58.989  37.672 -99.502
  181    H1*    C  17           H1*        C  17  57.619  39.294 -99.901
  182   1H4     C  17          1H4         C  17  59.535  44.863-102.698
  183   2H4     C  17          2H4         C  17  60.023  43.603-103.809
  184    H5     C  17           H5         C  17  58.787  44.424-100.450
  185    H6     C  17           H6         C  17  58.192  42.676 -98.840
  186   1H5*    C  18          1H5*        C  18  62.259  36.323 -96.366
  187   2H5*    C  18          2H5*        C  18  60.632  36.873 -96.755
  188    H4*    C  18           H4*        C  18  61.657  36.262 -98.814
  189    H3*    C  18           H3*        C  18  64.006  37.791 -97.730
  190   1H2*    C  18          1H2*        C  18  64.583  38.582 -99.816
  191   2HO*    C  18          2HO*        C  18  63.198  36.291-100.731
  192    H1*    C  18           H1*        C  18  62.023  38.626-100.960
  193   1H4     C  18          1H4         C  18  63.559  44.719-100.552
  194   2H4     C  18          2H4         C  18  62.839  44.772 -98.958
  195    H5     C  18           H5         C  18  62.226  42.799 -97.723
  196    H6     C  18           H6         C  18  61.974  40.359 -97.829
  197   1H5*    C  19          1H5*        C  19  66.663  33.796-100.496
  198   2H5*    C  19          2H5*        C  19  65.024  34.429-100.387
  199    H4*    C  19           H4*        C  19  65.722  34.632-102.670
  200    H3*    C  19           H3*        C  19  68.243  35.678-101.429
  201   1H2*    C  19          1H2*        C  19  68.559  37.288-103.056
  202   2HO*    C  19          2HO*        C  19  66.704  35.777-104.600
  203    H1*    C  19           H1*        C  19  65.980  37.986-103.507
  204   1H4     C  19          1H4         C  19  67.881  42.605 -99.653
  205   2H4     C  19          2H4         C  19  67.483  41.610 -98.268
  206    H5     C  19           H5         C  19  66.950  39.262 -98.437
  207    H6     C  19           H6         C  19  66.525  37.406 -99.981
  208   1H5*    C  20          1H5*        C  20  71.287  33.533-105.177
  209   2H5*    C  20          2H5*        C  20  69.594  34.007-105.095
  210    H4*    C  20           H4*        C  20  70.739  35.550-106.546
  211    H3*    C  20           H3*        C  20  72.717  35.567-104.313
  212   1H2*    C  20          1H2*        C  20  73.150  37.790-104.444
  213   2HO*    C  20          2HO*        C  20  72.114  37.605-107.091
  214    H1*    C  20           H1*        C  20  70.687  38.681-105.254
  215   1H4     C  20          1H4         C  20  70.866  40.463 -99.235
  216   2H4     C  20          2H4         C  20  70.196  38.910 -98.781
  217    H5     C  20           H5         C  20  70.066  37.038-100.309
  218    H6     C  20           H6         C  20  70.326  36.334-102.648
  219   1H5*    C  21          1H5*        C  21  76.554  36.061-107.145
  220   2H5*    C  21          2H5*        C  21  75.174  37.066-106.615
  221    H4*    C  21           H4*        C  21  77.325  38.184-106.208
  222    H3*    C  21           H3*        C  21  77.894  35.630-104.747
  223   1H2*    C  21          1H2*        C  21  78.962  36.716-103.020
  224   2HO*    C  21          2HO*        C  21  80.386  37.840-104.440
  225    H1*    C  21           H1*        C  21  77.590  39.186-103.196
  226   1H4     C  21          1H4         C  21  76.476  36.148 -97.655
  227   2H4     C  21          2H4         C  21  74.817  36.017 -98.195
  228    H5     C  21           H5         C  21  74.109  36.592-100.416
  229    H6     C  21           H6         C  21  74.808  37.440-102.607
  230   1H5*    U  22          1H5*        U  22  82.236  37.681-107.152
  231   2H5*    U  22          2H5*        U  22  82.260  39.185-106.180
  232    H4*    U  22           H4*        U  22  84.025  38.219-104.749
  233    H3*    U  22           H3*        U  22  84.308  39.124-107.395
  234   1H2*    U  22          1H2*        U  22  84.846  37.184-108.438
  235   2HO*    U  22          2HO*        U  22  86.852  38.085-108.536
  236    H1*    U  22           H1*        U  22  86.074  35.860-106.071
  237    H3     U  22           H3         U  22  85.987  33.242-110.027
  238    H5     U  22           H5         U  22  82.526  32.475-107.747
  239    H6     U  22           H6         U  22  83.069  34.409-106.391
  240   1H5*    U  23          1H5*        U  23  88.133  37.983-107.624
  241   2H5*    U  23          2H5*        U  23  89.095  39.301-108.360
  242    H4*    U  23           H4*        U  23  90.538  37.453-107.571
  243    H3*    U  23           H3*        U  23  88.983  37.930-105.080
  244   1H2*    U  23          1H2*        U  23  90.747  37.892-103.681
  245   2HO*    U  23          2HO*        U  23  92.696  36.800-104.200
  246    H1*    U  23           H1*        U  23  92.774  38.717-105.380
  247    H3     U  23           H3         U  23  93.114  41.814-102.148
  248    H5     U  23           H5         U  23  89.217  42.406-103.642
  249    H6     U  23           H6         U  23  89.550  40.481-105.086
  250   1H5*    U  24          1H5*        U  24  89.432  32.466-105.140
  251   2H5*    U  24          2H5*        U  24  90.527  33.833-105.502
  252    H4*    U  24           H4*        U  24  91.490  31.987-104.044
  253    H3*    U  24           H3*        U  24  89.328  33.068-102.283
  254   1H2*    U  24          1H2*        U  24  90.622  32.947-100.401
  255   2HO*    U  24          2HO*        U  24  92.356  31.180-101.822
  256    H1*    U  24           H1*        U  24  93.091  33.416-101.625
  257    H3     U  24           H3         U  24  92.458  36.368 -98.213
  258    H5     U  24           H5         U  24  90.121  37.851-101.385
  259    H6     U  24           H6         U  24  90.641  35.819-102.634
  260   1H5*    U  25          1H5*        U  25  86.800  29.336-100.345
  261   2H5*    U  25          2H5*        U  25  88.546  29.376-100.529
  262    H4*    U  25           H4*        U  25  88.055  29.618 -98.205
  263    H3*    U  25           H3*        U  25  86.126  31.746 -99.124
  264   1H2*    U  25          1H2*        U  25  86.455  32.892 -97.115
  265   2HO*    U  25          2HO*        U  25  87.537  30.430 -96.206
  266    H1*    U  25           H1*        U  25  89.122  32.388 -96.870
  267    H3     U  25           H3         U  25  88.556  36.877 -97.231
  268    H5     U  25           H5         U  25  88.689  35.428-101.186
  269    H6     U  25           H6         U  25  88.545  33.177-100.296
  270   1H5*    C  26          1H5*        C  26  82.388  30.792 -95.815
  271   2H5*    C  26          2H5*        C  26  84.116  30.472 -95.816
  272    H4*    C  26           H4*        C  26  83.779  32.234 -94.269
  273    H3*    C  26           H3*        C  26  81.985  33.368 -96.403
  274   1H2*    C  26          1H2*        C  26  82.524  35.522 -95.793
  275   2HO*    C  26          2HO*        C  26  83.290  34.374 -93.309
  276    H1*    C  26           H1*        C  26  85.108  35.041 -94.888
  277   1H4     C  26          1H4         C  26  85.888  38.598-100.035
  278   2H4     C  26          2H4         C  26  85.917  37.150-101.020
  279    H5     C  26           H5         C  26  85.268  34.976-100.190
  280    H6     C  26           H6         C  26  84.677  33.687 -98.194
  281   1H5*    C  27          1H5*        C  27  78.623  34.987 -92.469
  282   2H5*    C  27          2H5*        C  27  80.282  34.401 -92.493
  283    H4*    C  27           H4*        C  27  80.383  36.655 -91.751
  284    H3*    C  27           H3*        C  27  78.463  37.172 -94.012
  285   1H2*    C  27          1H2*        C  27  79.343  39.269 -94.384
  286   2HO*    C  27          2HO*        C  27  80.337  39.035 -91.731
  287    H1*    C  27           H1*        C  27  81.991  38.696 -93.729
  288   1H4     C  27          1H4         C  27  82.016  39.274-100.016
  289   2H4     C  27          2H4         C  27  81.691  37.559-100.156
  290    H5     C  27           H5         C  27  81.014  36.189 -98.288
  291    H6     C  27           H6         C  27  80.704  36.125 -95.856
  292   1H5*    G  28          1H5*        G  28  75.468  40.702 -91.446
  293   2H5*    G  28          2H5*        G  28  77.115  40.204 -91.084
  294    H4*    G  28           H4*        G  28  77.296  42.466 -91.723
  295    H3*    G  28           H3*        G  28  75.237  41.722 -93.773
  296   1H2*    G  28          1H2*        G  28  76.107  43.124 -95.378
  297   2HO*    G  28          2HO*        G  28  77.704  44.767 -94.731
  298    H1*    G  28           H1*        G  28  78.784  42.956 -94.722
  299    H8     G  28           H8         G  28  77.278  39.516 -94.973
  300    H1     G  28           H1         G  28  78.956  41.979-100.603
  301   1H2     G  28          1H2         G  28  79.050  45.018 -98.906
  302   2H2     G  28          2H2         G  28  79.252  44.167-100.421
  303   1H5*    A  29          1H5*        A  29  73.714  46.840 -93.493
  304   2H5*    A  29          2H5*        A  29  75.135  45.928 -93.010
  305    H4*    A  29           H4*        A  29  75.900  47.433 -94.656
  306    H3*    A  29           H3*        A  29  73.365  46.689 -96.103
  307   1H2*    A  29          1H2*        A  29  74.382  47.012 -98.166
  308   2HO*    A  29          2HO*        A  29  76.208  48.590 -96.679
  309    H1*    A  29           H1*        A  29  76.926  46.146 -97.474
  310    H8     A  29           H8         A  29  74.394  43.589 -96.413
  311   1H6     A  29          1H6         A  29  74.969  41.215-102.073
  312   2H6     A  29          2H6         A  29  74.454  40.899-100.430
  313    H2     A  29           H2         A  29  76.715  45.356-102.108
  314   1H5*    G  30          1H5*        G  30  72.544  50.919 -98.501
  315   2H5*    G  30          2H5*        G  30  73.990  50.172 -97.833
  316    H4*    G  30           H4*        G  30  74.050  49.976-100.238
  317    H3*    G  30           H3*        G  30  71.252  48.962 -99.829
  318   1H2*    G  30          1H2*        G  30  71.461  47.418-101.562
  319   2HO*    G  30          2HO*        G  30  73.840  48.820-102.290
  320    H1*    G  30           H1*        G  30  74.013  46.614-101.107
  321    H8     G  30           H8         G  30  72.049  46.948 -97.837
  322    H1     G  30           H1         G  30  71.339  41.393-100.867
  323   1H2     G  30          1H2         G  30  72.727  43.075-103.581
  324   2H2     G  30          2H2         G  30  72.056  41.586-102.956
  325   1H5*    G  31          1H5*        G  31  69.634  51.690-104.313
  326   2H5*    G  31          2H5*        G  31  71.233  51.201-103.755
  327    H4*    G  31           H4*        G  31  70.803  50.015-105.805
  328    H3*    G  31           H3*        G  31  68.128  49.632-104.525
  329   1H2*    G  31          1H2*        G  31  67.877  47.451-105.239
  330   2HO*    G  31          2HO*        G  31  69.457  46.603-106.844
  331    H1*    G  31           H1*        G  31  70.472  46.606-105.022
  332    H8     G  31           H8         G  31  69.457  48.676-102.019
  333    H1     G  31           H1         G  31  67.888  42.516-101.562
  334   1H2     G  31          1H2         G  31  68.429  42.435-104.996
  335   2H2     G  31          2H2         G  31  67.963  41.560-103.553
  336   1H5*    G  32          1H5*        G  32  66.558  48.478-109.605
  337   2H5*    G  32          2H5*        G  32  68.155  48.643-108.889
  338    H4*    G  32           H4*        G  32  68.188  46.430-109.557
  339    H3*    G  32           H3*        G  32  65.241  46.557-109.040
  340   1H2*    G  32          1H2*        G  32  65.061  44.384-108.329
  341   2HO*    G  32          2HO*        G  32  67.416  44.023-109.849
  342    H1*    G  32           H1*        G  32  67.498  44.082-107.079
  343    H8     G  32           H8         G  32  65.868  47.348-106.191
  344    H1     G  32           H1         G  32  64.057  42.558-102.423
  345   1H2     G  32          1H2         G  32  65.290  40.488-104.922
  346   2H2     G  32          2H2         G  32  64.505  40.618-103.360
  347   1H5*    U  33          1H5*        U  33  63.788  42.927-111.411
  348   2H5*    U  33          2H5*        U  33  62.720  44.193-112.095
  349    H4*    U  33           H4*        U  33  62.559  42.073-113.356
  350    H3*    U  33           H3*        U  33  65.323  41.921-112.976
  351   1H2*    U  33          1H2*        U  33  66.054  43.305-114.623
  352   2HO*    U  33          2HO*        U  33  66.252  42.190-116.635
  353    H1*    U  33           H1*        U  33  63.773  42.859-116.486
  354    H3     U  33           H3         U  33  67.022  45.988-117.970
  355    H5     U  33           H5         U  33  63.966  48.002-115.879
  356    H6     U  33           H6         U  33  63.166  45.845-115.104
  357   1H5*    C  34          1H5*        C  34  67.104  37.680-114.597
  358   2H5*    C  34          2H5*        C  34  66.808  38.855-115.917
  359    H4*    C  34           H4*        C  34  69.220  38.295-115.696
  360    H3*    C  34           H3*        C  34  68.632  39.111-112.893
  361   1H2*    C  34          1H2*        C  34  70.512  40.396-112.621
  362   2HO*    C  34          2HO*        C  34  71.632  39.053-114.885
  363    H1*    C  34           H1*        C  34  70.832  41.302-115.237
  364   1H4     C  34          1H4         C  34  67.277  45.164-111.184
  365   2H4     C  34          2H4         C  34  68.558  46.157-111.845
  366    H5     C  34           H5         C  34  66.979  42.830-111.771
  367    H6     C  34           H6         C  34  67.824  40.988-113.099
  368   1H5*    A  35          1H5*        A  35  73.124  37.219-112.221
  369   2H5*    A  35          2H5*        A  35  71.960  38.163-113.188
  370    H4*    A  35           H4*        A  35  73.495  39.783-112.620
  371    H3*    A  35           H3*        A  35  74.317  37.980-110.628
  372   1H2*    A  35          1H2*        A  35  73.197  38.782-108.847
  373   2HO*    A  35          2HO*        A  35  75.341  39.579-108.494
  374    H1*    A  35           H1*        A  35  72.911  41.579-109.814
  375    H8     A  35           H8         A  35  69.952  39.716-110.225
  376   1H6     A  35          1H6         A  35  67.721  40.188-105.997
  377   2H6     A  35          2H6         A  35  68.264  40.681-104.410
  378    H2     A  35           H2         A  35  72.650  41.614-104.760
  379   1H5*    U  36          1H5*        U  36  78.767  41.425-111.075
  380   2H5*    U  36          2H5*        U  36  77.059  41.580-111.454
  381    H4*    U  36           H4*        U  36  77.636  43.595-110.387
  382    H3*    U  36           H3*        U  36  79.199  41.829-108.524
  383   1H2*    U  36          1H2*        U  36  78.849  43.255-106.753
  384   2HO*    U  36          2HO*        U  36  78.504  45.186-108.781
  385    H1*    U  36           H1*        U  36  76.340  44.213-107.499
  386    H3     U  36           H3         U  36  76.064  42.526-103.293
  387    H5     U  36           H5         U  36  75.553  39.269-105.913
  388    H6     U  36           H6         U  36  76.276  40.679-107.726
  389   1H5*    C  37          1H5*        C  37  82.521  45.800-108.103
  390   2H5*    C  37          2H5*        C  37  80.895  45.428-108.662
  391    H4*    C  37           H4*        C  37  80.689  46.638-106.616
  392    H3*    C  37           H3*        C  37  82.707  44.656-105.559
  393   1H2*    C  37          1H2*        C  37  81.770  44.840-103.452
  394   2HO*    C  37          2HO*        C  37  80.743  47.309-104.416
  395    H1*    C  37           H1*        C  37  79.141  45.307-104.295
  396   1H4     C  37          1H4         C  37  79.223  39.702-101.389
  397   2H4     C  37          2H4         C  37  79.467  38.926-102.937
  398    H5     C  37           H5         C  37  80.031  40.136-104.949
  399    H6     C  37           H6         C  37  80.281  42.359-105.939
  400   1H5*    G  38          1H5*        G  38  85.822  48.462-103.189
  401   2H5*    G  38          2H5*        G  38  84.167  48.699-103.735
  402    H4*    G  38           H4*        G  38  84.099  49.150-101.422
  403    H3*    G  38           H3*        G  38  86.018  46.852-101.244
  404   1H2*    G  38          1H2*        G  38  85.171  46.082 -99.246
  405   2HO*    G  38          2HO*        G  38  84.067  48.693 -99.007
  406    H1*    G  38           H1*        G  38  82.514  46.627 -99.634
  407    H8     G  38           H8         G  38  84.039  45.091-102.732
  408    H1     G  38           H1         G  38  82.235  40.802 -98.378
  409   1H2     G  38          1H2         G  38  82.179  43.502 -96.181
  410   2H2     G  38          2H2         G  38  81.951  41.783 -96.412
  411   1H5*    G  39          1H5*        G  39  88.168  48.798 -96.946
  412   2H5*    G  39          2H5*        G  39  86.667  49.022 -97.836
  413    H4*    G  39           H4*        G  39  86.129  47.793 -95.866
  414    H3*    G  39           H3*        G  39  88.519  46.118 -96.622
  415   1H2*    G  39          1H2*        G  39  87.536  44.230 -95.724
  416   2HO*    G  39          2HO*        G  39  85.651  44.411 -94.358
  417    H1*    G  39           H1*        G  39  84.924  44.811 -96.393
  418    H8     G  39           H8         G  39  87.078  45.193 -99.435
  419    H1     G  39           H1         G  39  85.680  39.118 -98.091
  420   1H2     G  39          1H2         G  39  84.980  38.947 -95.994
  421   2H2     G  39          2H2         G  39  84.844  40.333 -94.935
  422   1H5*    A  40          1H5*        A  40  90.623  45.798 -91.628
  423   2H5*    A  40          2H5*        A  40  88.973  46.301 -91.976
  424    H4*    A  40           H4*        A  40  88.602  44.373 -90.747
  425    H3*    A  40           H3*        A  40  91.185  43.465 -91.955
  426   1H2*    A  40          1H2*        A  40  90.572  41.265 -92.051
  427   2HO*    A  40          2HO*        A  40  88.843  40.457 -90.719
  428    H1*    A  40           H1*        A  40  87.813  41.571 -92.294
  429    H8     A  40           H8         A  40  89.589  43.419 -95.030
  430   1H6     A  40          1H6         A  40  89.133  38.195 -98.253
  431   2H6     A  40          2H6         A  40  89.345  39.929 -98.355
  432    H2     A  40           H2         A  40  88.462  37.220 -93.915
  433   1H5*    A  41          1H5*        A  41  90.768  40.703 -87.324
  434   2H5*    A  41          2H5*        A  41  89.638  41.531 -88.435
  435    H4*    A  41           H4*        A  41  88.817  39.289 -88.064
  436    H3*    A  41           H3*        A  41  91.678  38.555 -88.525
  437   1H2*    A  41          1H2*        A  41  91.210  36.699 -89.791
  438   2HO*    A  41          2HO*        A  41  89.146  35.702 -89.754
  439    H1*    A  41           H1*        A  41  88.974  37.559 -91.098
  440    H8     A  41           H8         A  41  91.883  40.007 -90.818
  441   1H6     A  41          1H6         A  41  94.276  38.814 -94.837
  442   2H6     A  41          2H6         A  41  94.084  37.523 -96.002
  443    H2     A  41           H2         A  41  90.557  35.081 -94.673
  444   1H5*    C  42          1H5*        C  42  91.402  34.406 -85.859
  445   2H5*    C  42          2H5*        C  42  90.488  34.778 -87.351
  446    H4*    C  42           H4*        C  42  91.712  32.570 -87.372
  447    H3*    C  42           H3*        C  42  93.998  34.457 -87.015
  448   1H2*    C  42          1H2*        C  42  95.290  33.474 -88.600
  449   2HO*    C  42          2HO*        C  42  93.717  31.130 -88.331
  450    H1*    C  42           H1*        C  42  93.349  32.416 -90.234
  451   1H4     C  42          1H4         C  42  96.139  36.972 -93.639
  452   2H4     C  42          2H4         C  42  95.730  38.187 -92.450
  453    H5     C  42           H5         C  42  94.566  37.690 -90.404
  454    H6     C  42           H6         C  42  93.542  35.924 -89.050
  455   1H5*    C  43          1H5*        C  43  96.292  30.064 -85.810
  456   2H5*    C  43          2H5*        C  43  95.166  30.667 -87.062
  457    H4*    C  43           H4*        C  43  97.111  29.398 -87.993
  458    H3*    C  43           H3*        C  43  98.561  31.532 -86.485
  459   1H2*    C  43          1H2*        C  43 100.067  31.958 -88.138
  460   2HO*    C  43          2HO*        C  43  99.314  29.487 -89.347
  461    H1*    C  43           H1*        C  43  98.466  31.559 -90.346
  462   1H4     C  43          1H4         C  43  99.015  37.837 -89.426
  463   2H4     C  43          2H4         C  43  97.883  37.767 -88.094
  464    H5     C  43           H5         C  43  96.963  35.710 -87.251
  465    H6     C  43           H6         C  43  96.880  33.257 -87.549
  466   1H5*    A  44          1H5*        A  44  99.750  30.888 -82.866
  467   2H5*    A  44          2H5*        A  44 101.520  31.063 -83.064
  468    H4*    A  44           H4*        A  44 100.505  33.236 -82.592
  469    H3*    A  44           H3*        A  44  98.515  32.283 -84.499
  470   1H2*    A  44          1H2*        A  44  98.963  33.620 -86.209
  471   2HO*    A  44          2HO*        A  44  98.841  35.741 -84.303
  472    H1*    A  44           H1*        A  44 100.972  35.348 -84.919
  473    H8     A  44           H8         A  44 102.007  32.246 -86.775
  474   1H6     A  44          1H6         A  44 102.962  34.187 -91.097
  475   2H6     A  44          2H6         A  44 102.679  35.772 -91.783
  476    H2     A  44           H2         A  44 100.662  38.228 -88.603
  477    H3T    A  44           H3T        A  44  98.117  33.178 -82.401
   
   
  No H/Q in entry =         477