*HEADER    ANTIMICROBIAL PROTEIN                   21-DEC-18   6QBK              
*TITLE     NMR STRUCTURE OF BIG-DEFENSIN 1 [44-93] FROM OYSTER CRASSOSTREA GIGAS 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BIG DEFENSIN 1;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CRASSOSTREA GIGAS;                              
*SOURCE   4 ORGANISM_COMMON: PACIFIC OYSTER;                                     
*SOURCE   5 ORGANISM_TAXID: 29159                                                
*KEYWDS    BIG-DEFENSIN, ANTIMICROBIAL, MARINE, OYSTER, ANTIMICROBIAL PROTEIN    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    K.LOTH,H.MEUDAL,A.F.DELMAS                                            
*REVDAT   1   11-DEC-19 6QBK    0                                                
# Restraints file 1: 1_2.tbl
 assi 
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 45   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 20   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 43   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 22   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 28   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 46   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 30   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 32   and name  HN  ))
   (( segid "   A" and resid 44   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 32   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 19   and name  O   ))
   (( segid "   A" and resid 14   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 22   and name  O   ))
   (( segid "   A" and resid 43   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 20   and name  O   ))
   (( segid "   A" and resid 45   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 28   and name  O   ))
   (( segid "   A" and resid 48   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 45   and name  O   ))
   (( segid "   A" and resid 20   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 43   and name  O   ))
   (( segid "   A" and resid 22   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 30   and name  O   ))
   (( segid "   A" and resid 46   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 46   and name  O   ))
   (( segid "   A" and resid 30   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 44   and name  O   ))
   (( segid "   A" and resid 32   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 32   and name  O   ))
   (( segid "   A" and resid 44   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 33   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 34   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 35   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 35   and name  O   ))
   (( segid "   A" and resid 39   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 19   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 33   and name  O   ))
   (( segid "   A" and resid 37   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 34   and name  O   ))
   (( segid "   A" and resid 38   and name  N   ))
      3.200     0.684     0.727

# Restraints file 2: disu.tbl
assign (segid "   A" and resid 14 and name SG) (segid "   A" and not resid 14 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 21 and name SG) (segid "   A" and not resid 21 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 25 and name SG) (segid "   A" and not resid 25 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 39 and name SG) (segid "   A" and not resid 39 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 44 and name SG) (segid "   A" and not resid 44 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 45 and name SG) (segid "   A" and not resid 45 and name SG) 2.02 0.1 0.1

# Restraints file 3: dihedral.tbl
 ASSIGN  (segid "   A" and resid 2    and name C   ) (segid "   A" and resid 3    and name N   )
         (segid "   A" and resid 3    and name CA  ) (segid "   A" and resid 3    and name C   )  1.00 -114.97 35.03 2

 ASSIGN  (segid "   A" and resid 3    and name N   ) (segid "   A" and resid 3    and name CA  )
         (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )  1.00 126.44 26.44 2

 ASSIGN  (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )
         (segid "   A" and resid 4    and name CA  ) (segid "   A" and resid 4    and name C   )  1.00 -118.40 41.60 2

 ASSIGN  (segid "   A" and resid 4    and name N   ) (segid "   A" and resid 4    and name CA  )
         (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )  1.00 127.83 27.83 2

 ASSIGN  (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )
         (segid "   A" and resid 5    and name CA  ) (segid "   A" and resid 5    and name C   )  1.00 -118.39 31.61 2

 ASSIGN  (segid "   A" and resid 5    and name N   ) (segid "   A" and resid 5    and name CA  )
         (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )  1.00 133.47 33.47 2

 ASSIGN  (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )
         (segid "   A" and resid 6    and name CA  ) (segid "   A" and resid 6    and name C   )  1.00 -111.82 48.18 2

 ASSIGN  (segid "   A" and resid 6    and name N   ) (segid "   A" and resid 6    and name CA  )
         (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )  1.00 127.71 27.71 2

 ASSIGN  (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )
         (segid "   A" and resid 7    and name CA  ) (segid "   A" and resid 7    and name C   )  1.00 -124.59 35.41 2

 ASSIGN  (segid "   A" and resid 7    and name N   ) (segid "   A" and resid 7    and name CA  )
         (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )  1.00 136.03 36.03 2

 ASSIGN  (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )
         (segid "   A" and resid 8    and name CA  ) (segid "   A" and resid 8    and name C   )  1.00 -78.81 81.19 2

 ASSIGN  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA  )
         (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )  1.00 134.14 34.14 2

 ASSIGN  (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )
         (segid "   A" and resid 10   and name CA  ) (segid "   A" and resid 10   and name C   )  1.00 -90.92 89.08 2

 ASSIGN  (segid "   A" and resid 10   and name N   ) (segid "   A" and resid 10   and name CA  )
         (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )  1.00 141.04 41.04 2

 ASSIGN  (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )
         (segid "   A" and resid 11   and name CA  ) (segid "   A" and resid 11   and name C   )  1.00 -138.45 31.55 2

 ASSIGN  (segid "   A" and resid 11   and name N   ) (segid "   A" and resid 11   and name CA  )
         (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )  1.00 153.87 43.87 2

 ASSIGN  (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )
         (segid "   A" and resid 12   and name CA  ) (segid "   A" and resid 12   and name C   )  1.00 -74.63 65.37 2

 ASSIGN  (segid "   A" and resid 12   and name N   ) (segid "   A" and resid 12   and name CA  )
         (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )  1.00 135.52 35.52 2

 ASSIGN  (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )
         (segid "   A" and resid 14   and name CA  ) (segid "   A" and resid 14   and name C   )  1.00 -131.38 38.62 2

 ASSIGN  (segid "   A" and resid 14   and name N   ) (segid "   A" and resid 14   and name CA  )
         (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )  1.00 155.44 25.44 2

 ASSIGN  (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )
         (segid "   A" and resid 18   and name CA  ) (segid "   A" and resid 18   and name C   )  1.00 -86.26 33.74 2

 ASSIGN  (segid "   A" and resid 18   and name N   ) (segid "   A" and resid 18   and name CA  )
         (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )  1.00  -5.05 34.95 2

 ASSIGN  (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )
         (segid "   A" and resid 19   and name CA  ) (segid "   A" and resid 19   and name C   )  1.00 -76.73 103.27 2

 ASSIGN  (segid "   A" and resid 19   and name N   ) (segid "   A" and resid 19   and name CA  )
         (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )  1.00 151.21 51.21 2

 ASSIGN  (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )
         (segid "   A" and resid 20   and name CA  ) (segid "   A" and resid 20   and name C   )  1.00 -106.91 73.09 2

 ASSIGN  (segid "   A" and resid 20   and name N   ) (segid "   A" and resid 20   and name CA  )
         (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )  1.00 134.60 44.60 2

 ASSIGN  (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )
         (segid "   A" and resid 21   and name CA  ) (segid "   A" and resid 21   and name C   )  1.00 -106.25 43.75 2

 ASSIGN  (segid "   A" and resid 21   and name N   ) (segid "   A" and resid 21   and name CA  )
         (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )  1.00 142.52 42.52 2

 ASSIGN  (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )
         (segid "   A" and resid 22   and name CA  ) (segid "   A" and resid 22   and name C   )  1.00 -133.07 36.93 2

 ASSIGN  (segid "   A" and resid 22   and name N   ) (segid "   A" and resid 22   and name CA  )
         (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )  1.00 147.13 47.13 2

 ASSIGN  (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )
         (segid "   A" and resid 23   and name CA  ) (segid "   A" and resid 23   and name C   )  1.00 -72.95 37.05 2

 ASSIGN  (segid "   A" and resid 23   and name N   ) (segid "   A" and resid 23   and name CA  )
         (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )  1.00 154.35 34.35 2

 ASSIGN  (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )
         (segid "   A" and resid 24   and name CA  ) (segid "   A" and resid 24   and name C   )  1.00 -135.36 44.64 2

 ASSIGN  (segid "   A" and resid 24   and name N   ) (segid "   A" and resid 24   and name CA  )
         (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )  1.00 151.14 51.14 2

 ASSIGN  (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )
         (segid "   A" and resid 25   and name CA  ) (segid "   A" and resid 25   and name C   )  1.00 -79.29 50.71 2

 ASSIGN  (segid "   A" and resid 25   and name N   ) (segid "   A" and resid 25   and name CA  )
         (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )  1.00 -13.32 36.68 2

 ASSIGN  (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )
         (segid "   A" and resid 26   and name CA  ) (segid "   A" and resid 26   and name C   )  1.00 -84.21 35.79 2

 ASSIGN  (segid "   A" and resid 26   and name N   ) (segid "   A" and resid 26   and name CA  )
         (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )  1.00 -15.04 34.96 2

 ASSIGN  (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )
         (segid "   A" and resid 28   and name CA  ) (segid "   A" and resid 28   and name C   )  1.00 -110.32 69.68 2

 ASSIGN  (segid "   A" and resid 28   and name N   ) (segid "   A" and resid 28   and name CA  )
         (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )  1.00 126.82 36.82 2

 ASSIGN  (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )
         (segid "   A" and resid 29   and name CA  ) (segid "   A" and resid 29   and name C   )  1.00 -120.16 39.84 2

 ASSIGN  (segid "   A" and resid 29   and name N   ) (segid "   A" and resid 29   and name CA  )
         (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )  1.00 139.67 39.67 2

 ASSIGN  (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )
         (segid "   A" and resid 30   and name CA  ) (segid "   A" and resid 30   and name C   )  1.00 -117.56 42.44 2

 ASSIGN  (segid "   A" and resid 30   and name N   ) (segid "   A" and resid 30   and name CA  )
         (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )  1.00 138.38 38.38 2

 ASSIGN  (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )
         (segid "   A" and resid 31   and name CA  ) (segid "   A" and resid 31   and name C   )  1.00 -103.45 36.55 2

 ASSIGN  (segid "   A" and resid 31   and name N   ) (segid "   A" and resid 31   and name CA  )
         (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )  1.00 124.42 34.42 2

 ASSIGN  (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )
         (segid "   A" and resid 32   and name CA  ) (segid "   A" and resid 32   and name C   )  1.00 -116.59 33.41 2

 ASSIGN  (segid "   A" and resid 32   and name N   ) (segid "   A" and resid 32   and name CA  )
         (segid "   A" and resid 32   and name C   ) (segid "   A" and resid 33   and name N   )  1.00 133.25 33.25 2

 ASSIGN  (segid "   A" and resid 35   and name C   ) (segid "   A" and resid 36   and name N   )
         (segid "   A" and resid 36   and name CA  ) (segid "   A" and resid 36   and name C   )  1.00 -56.05 43.95 2

 ASSIGN  (segid "   A" and resid 36   and name N   ) (segid "   A" and resid 36   and name CA  )
         (segid "   A" and resid 36   and name C   ) (segid "   A" and resid 37   and name N   )  1.00 136.17 26.17 2

 ASSIGN  (segid "   A" and resid 36   and name C   ) (segid "   A" and resid 37   and name N   )
         (segid "   A" and resid 37   and name CA  ) (segid "   A" and resid 37   and name C   )  1.00 -77.44 42.56 2

 ASSIGN  (segid "   A" and resid 37   and name N   ) (segid "   A" and resid 37   and name CA  )
         (segid "   A" and resid 37   and name C   ) (segid "   A" and resid 38   and name N   )  1.00 -19.56 30.44 2

 ASSIGN  (segid "   A" and resid 42   and name C   ) (segid "   A" and resid 43   and name N   )
         (segid "   A" and resid 43   and name CA  ) (segid "   A" and resid 43   and name C   )  1.00 -67.56 42.44 2

 ASSIGN  (segid "   A" and resid 43   and name N   ) (segid "   A" and resid 43   and name CA  )
         (segid "   A" and resid 43   and name C   ) (segid "   A" and resid 44   and name N   )  1.00 -26.10 43.90 2

 ASSIGN  (segid "   A" and resid 45   and name C   ) (segid "   A" and resid 46   and name N   )
         (segid "   A" and resid 46   and name CA  ) (segid "   A" and resid 46   and name C   )  1.00 -88.20 91.80 2

 ASSIGN  (segid "   A" and resid 46   and name N   ) (segid "   A" and resid 46   and name CA  )
         (segid "   A" and resid 46   and name C   ) (segid "   A" and resid 47   and name N   )  1.00 146.03 96.03 2

# Restraints file 4: ambig.tbl
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name   HA) 2.412 0.727 0.727 weight 1.000 ! spec=Noesy, no=18, id=17, vol=5.464347e+06
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name   HA)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name   HA) 2.302 0.662 0.662 weight 1.000 ! spec=Noesy, no=36, id=35, vol=6.615754e+06
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HA) 2.062 0.531 0.531 weight 1.000 ! spec=Noesy, no=47, id=46, vol=1.262986e+07
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name   HA)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name   HA) 1.936 0.469 0.469 weight 1.000 ! spec=Noesy, no=48, id=47, vol=2.051341e+07
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   16 and name   HA) 2.592 0.840 0.840 weight 1.000 ! spec=Noesy, no=50, id=49, vol=3.674604e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   48 and name  HA2) 1.834 0.420 0.420 weight 1.000 ! spec=Noesy, no=60, id=59, vol=2.605940e+07
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB2) 2.181 0.595 0.595 weight 1.000 ! spec=Noesy, no=71, id=70, vol=8.988694e+06
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB1)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name   HA) 2.624 0.861 0.861 weight 1.000 ! spec=Noesy, no=73, id=72, vol=3.340267e+06
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name   HB)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HB1) 2.058 0.530 0.530 weight 1.000 ! spec=Noesy, no=92, id=91, vol=1.330958e+07
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   34 and name  HB1) 2.305 0.664 0.664 weight 1.000 ! spec=Noesy, no=93, id=92, vol=6.861070e+06
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   34 and name  HB1)
    or (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   34 and name  HB2)
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    2 and name  HB2) 2.608 0.850 0.850 weight 1.000 ! spec=Noesy, no=99, id=98, vol=3.499808e+06
    or (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HB2)
    or (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    2 and name  HB1)
    or (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HB1)
assign (segid "   A" and resid   43 and name   HE) (segid "   A" and resid   43 and name  HD1) 2.425 0.735 0.735 weight 1.000 ! spec=Noesy, no=103, id=102, vol=4.958396e+06
    or (segid "   A" and resid   43 and name   HE) (segid "   A" and resid   43 and name  HD2)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB2) 2.099 0.551 0.551 weight 1.000 ! spec=Noesy, no=105, id=104, vol=1.223904e+07
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name  HB1)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   39 and name  HB2) 2.342 0.685 0.685 weight 1.000 ! spec=Noesy, no=117, id=116, vol=6.640310e+06
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HB2)
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   22 and name  HD2) 2.271 0.645 0.645 weight 1.000 ! spec=Noesy, no=122, id=121, vol=8.064344e+06
    or (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   22 and name  HD1)
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   22 and name  HG2) 2.336 0.682 0.682 weight 1.000 ! spec=Noesy, no=136, id=135, vol=5.659634e+06
    or (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name  HB2) 3.027 1.145 1.145 weight 1.000 ! spec=Noesy, no=192, id=191, vol=2.238108e+06
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   18 and name  HD1)
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name  HB2) 2.052 0.527 0.527 weight 1.000 ! spec=Noesy, no=193, id=192, vol=1.523385e+07
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HB2)
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HB1) 1.952 0.476 0.476 weight 1.000 ! spec=Noesy, no=210, id=209, vol=1.825306e+07
    or (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   49 and name  HD1) (segid "   A" and resid   47 and name  HB2) 2.411 0.727 0.727 weight 1.000 ! spec=Noesy, no=217, id=216, vol=8.220375e+06
    or (segid "   A" and resid   49 and name  HD2) (segid "   A" and resid   47 and name  HB2)
assign (segid "   A" and resid   18 and name  HD1) (segid "   A" and resid   47 and name  HG2) 2.505 2.505 3.495 weight 1.000 ! spec=Noesy, no=218, id=217, vol=9.428874e+06
    or (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   47 and name  HG2)
assign (segid "   A" and resid   49 and name  HD1) (segid "   A" and resid   47 and name  HG2) 2.667 2.667 3.333 weight 1.000 ! spec=Noesy, no=219, id=218, vol=4.628216e+06
    or (segid "   A" and resid   49 and name  HD2) (segid "   A" and resid   47 and name  HG2)
assign (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   20 and name  HB1) 3.586 1.607 1.607 weight 1.000 ! spec=Noesy, no=224, id=223, vol=5.791272e+05
    or (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   37 and name  HB2)
assign (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   15 and name  HB3) 2.528 2.528 3.472 weight 1.000 ! spec=Noesy, no=225, id=224, vol=4.442637e+06
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   15 and name  HB1)
    or (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   15 and name  HB3)
    or (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HB1) 2.383 0.710 0.710 weight 1.000 ! spec=Noesy, no=227, id=226, vol=6.311482e+06
    or (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HB1)
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    6 and name  HG1) 2.572 0.827 0.827 weight 1.000 ! spec=Noesy, no=232, id=231, vol=3.815562e+06
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    6 and name  HG1)
assign (segid "   A" and resid   49 and name  HD1) (segid "   A" and resid   49 and name  HG1) 2.331 0.679 0.679 weight 1.000 ! spec=Noesy, no=233, id=232, vol=6.977398e+06
    or (segid "   A" and resid   49 and name  HD2) (segid "   A" and resid   49 and name  HG2)
    or (segid "   A" and resid   49 and name  HD2) (segid "   A" and resid   49 and name  HG1)
    or (segid "   A" and resid   49 and name  HD1) (segid "   A" and resid   49 and name  HG2)
assign (segid "   A" and resid   43 and name  HD1) (segid "   A" and resid   43 and name  HB1) 2.302 0.663 0.663 weight 1.000 ! spec=Noesy, no=236, id=235, vol=7.759914e+06
    or (segid "   A" and resid   43 and name  HD1) (segid "   A" and resid   43 and name  HB2)
    or (segid "   A" and resid   43 and name  HD2) (segid "   A" and resid   43 and name  HG2)
assign (segid "   A" and resid    3 and name  HG1) (segid "   A" and resid    3 and name  HB2) 2.310 0.667 0.667 weight 1.000 ! spec=Noesy, no=242, id=241, vol=5.590104e+06
    or (segid "   A" and resid    3 and name  HG2) (segid "   A" and resid    3 and name  HB2)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   22 and name  HD1) 2.806 2.806 3.194 weight 1.000 ! spec=Noesy, no=260, id=259, vol=2.332299e+06
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   22 and name  HD2)
assign (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   22 and name  HD2) 2.987 1.115 1.115 weight 1.000 ! spec=Noesy, no=261, id=260, vol=1.572371e+06
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   22 and name  HD2)
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   22 and name  HD1)
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   22 and name  HD1)
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   22 and name  HD2) 2.981 1.111 1.111 weight 1.000 ! spec=Noesy, no=265, id=264, vol=1.308655e+06
    or (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   22 and name  HD1)
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name  HG2) 2.801 0.981 0.981 weight 1.000 ! spec=Noesy, no=291, id=290, vol=2.160923e+06
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name  HG1)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   43 and name  HG2) 2.897 1.049 1.049 weight 1.000 ! spec=Noesy, no=300, id=299, vol=1.812026e+06
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB2)
assign (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   43 and name  HB1) 3.126 1.222 1.222 weight 1.000 ! spec=Noesy, no=331, id=330, vol=1.132334e+06
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   43 and name  HB2)
assign (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   26 and name   HA) 2.825 0.998 0.998 weight 1.000 ! spec=Noesy, no=345, id=344, vol=2.036372e+06
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   26 and name   HA)
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   26 and name   HA)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   40 and name  HA1) 3.053 3.053 2.947 weight 1.000 ! spec=Noesy, no=396, id=395, vol=1.346258e+06
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   40 and name  HA1)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB1) 2.985 1.114 1.114 weight 1.000 ! spec=Noesy, no=402, id=401, vol=1.655850e+06
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   28 and name  HB1) 2.723 0.927 0.927 weight 1.000 ! spec=Noesy, no=403, id=402, vol=2.363364e+06
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid    4 and name   HE) (segid "   A" and resid    6 and name  HD2) 2.821 0.995 0.995 weight 1.000 ! spec=Noesy, no=408, id=407, vol=1.803675e+06
    or (segid "   A" and resid    4 and name   HE) (segid "   A" and resid    6 and name  HD1)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name  HB1) 3.065 1.175 1.175 weight 1.000 ! spec=Noesy, no=416, id=415, vol=1.250206e+06
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   34 and name  HB1)
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid   34 and name  HB2) 2.881 1.037 1.037 weight 1.000 ! spec=Noesy, no=418, id=417, vol=1.836266e+06
    or (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid   34 and name  HB2)
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid   34 and name  HB1)
    or (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid   34 and name  HB1)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HB2) 2.946 1.085 1.085 weight 1.000 ! spec=Noesy, no=443, id=442, vol=1.804882e+06
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   45 and name  HB2)
assign (segid "   A" and resid    4 and name  HD1) (segid "   A" and resid    6 and name  HB1) 3.008 1.131 1.131 weight 1.000 ! spec=Noesy, no=466, id=465, vol=1.438511e+06
    or (segid "   A" and resid    4 and name  HD2) (segid "   A" and resid    6 and name  HB1)
assign (segid "   A" and resid    4 and name  HD1) (segid "   A" and resid    4 and name  HB2) 2.700 0.911 0.911 weight 1.000 ! spec=Noesy, no=468, id=467, vol=2.591301e+06
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HB2)
    or (segid "   A" and resid    4 and name  HD2) (segid "   A" and resid    4 and name  HB2)
assign (segid "   A" and resid    4 and name  HD2) (segid "   A" and resid    4 and name  HG1) 3.108 1.208 1.208 weight 1.000 ! spec=Noesy, no=472, id=471, vol=1.198866e+06
    or (segid "   A" and resid    4 and name  HD1) (segid "   A" and resid    4 and name  HG1)
assign (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   22 and name  HG2) 2.901 1.052 1.052 weight 1.000 ! spec=Noesy, no=484, id=483, vol=1.986484e+06
    or (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   22 and name  HG1)
    or (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   22 and name  HG2)
assign (segid "   A" and resid   43 and name  HD1) (segid "   A" and resid   43 and name  HG1) 2.699 0.910 0.910 weight 1.000 ! spec=Noesy, no=488, id=487, vol=2.966752e+06
    or (segid "   A" and resid   43 and name  HD2) (segid "   A" and resid   43 and name  HG1)
assign (segid "   A" and resid    3 and name  HG2) (segid "   A" and resid    3 and name  HB1) 2.153 0.579 0.579 weight 1.000 ! spec=Noesy, no=504, id=503, vol=9.058789e+06
    or (segid "   A" and resid    3 and name  HG1) (segid "   A" and resid    3 and name  HB1)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HD1) 2.952 1.089 1.089 weight 1.000 ! spec=Noesy, no=509, id=508, vol=1.624312e+06
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HD2)
    or (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   12 and name  HD2)
assign (segid "   A" and resid    6 and name   HE) (segid "   A" and resid   12 and name   HA) 3.209 1.287 1.287 weight 1.000 ! spec=Noesy, no=537, id=536, vol=7.290492e+05
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   12 and name   HA)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB1) 3.302 1.363 1.363 weight 1.000 ! spec=Noesy, no=546, id=545, vol=8.462268e+05
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   27 and name  HB1) 3.162 1.250 1.250 weight 1.000 ! spec=Noesy, no=547, id=546, vol=8.996938e+05
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB1) 3.190 1.272 1.272 weight 1.000 ! spec=Noesy, no=559, id=558, vol=1.024598e+06
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB2)
assign (segid "   A" and resid   26 and name   HZ) (segid "   A" and resid   22 and name  HD2) 3.160 1.248 1.248 weight 1.000 ! spec=Noesy, no=570, id=569, vol=1.100007e+06
    or (segid "   A" and resid   26 and name   HZ) (segid "   A" and resid   22 and name  HD1)
assign (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   22 and name  HD1) 3.258 1.327 1.327 weight 1.000 ! spec=Noesy, no=571, id=570, vol=9.292982e+05
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   22 and name  HD1)
    or (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   22 and name  HD2)
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   22 and name  HD2)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HG2) 3.363 1.414 1.414 weight 1.000 ! spec=Noesy, no=587, id=586, vol=8.159515e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   22 and name  HG2) 3.256 1.326 1.326 weight 1.000 ! spec=Noesy, no=588, id=587, vol=9.001465e+05
    or (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   22 and name  HB2) 3.327 1.384 1.384 weight 1.000 ! spec=Noesy, no=598, id=597, vol=7.594280e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   43 and name  HG2)
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   43 and name  HB1) 3.383 1.431 1.431 weight 1.000 ! spec=Noesy, no=600, id=599, vol=6.372340e+05
    or (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   43 and name  HB2)
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name  HB1) 1.857 0.431 0.431 weight 1.000 ! spec=Noesy, no=612, id=611, vol=1.926381e+07
    or (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name  HB2)
assign (segid "   A" and resid   24 and name   HB) (segid "   A" and resid   23 and name  HG1) 3.360 1.412 1.412 weight 1.000 ! spec=Noesy, no=626, id=625, vol=7.764960e+05
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name  HG1)
assign (segid "   A" and resid    4 and name  HD1) (segid "   A" and resid    4 and name  HG2) 3.324 1.382 1.382 weight 1.000 ! spec=Noesy, no=631, id=630, vol=7.810898e+05
    or (segid "   A" and resid    4 and name  HD2) (segid "   A" and resid    4 and name  HG2)
assign (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    4 and name  HG2) 3.222 3.222 2.778 weight 1.000 ! spec=Noesy, no=632, id=631, vol=8.793425e+05
    or (segid "   A" and resid    1 and name  HB2) (segid "   A" and resid    4 and name  HG2)
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   22 and name  HB2) 3.200 1.280 1.280 weight 1.000 ! spec=Noesy, no=636, id=635, vol=1.021847e+06
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   43 and name  HG2)
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   43 and name  HG2) 3.358 1.409 1.409 weight 1.000 ! spec=Noesy, no=637, id=636, vol=7.970858e+05
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   22 and name  HB2)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   36 and name HD21) 3.550 3.550 2.450 weight 1.000 ! spec=Noesy, no=662, id=661, vol=5.039695e+05
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name HD21)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   25 and name   HA) 3.628 1.645 1.645 weight 1.000 ! spec=Noesy, no=670, id=669, vol=4.573228e+05
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   47 and name   HA)
assign (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   25 and name   HA) 3.532 1.560 1.560 weight 1.000 ! spec=Noesy, no=671, id=670, vol=5.003475e+05
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   25 and name   HA)
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   47 and name   HA)
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   28 and name  HB1) 3.435 1.475 1.475 weight 1.000 ! spec=Noesy, no=693, id=692, vol=6.662558e+05
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HG1) 3.564 1.588 1.588 weight 1.000 ! spec=Noesy, no=727, id=726, vol=4.749075e+05
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HG2)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   47 and name  HG2) 3.528 1.556 1.556 weight 1.000 ! spec=Noesy, no=728, id=727, vol=5.383218e+05
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   35 and name  HB1)
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   22 and name  HG1) 3.591 1.612 1.612 weight 1.000 ! spec=Noesy, no=739, id=738, vol=4.535575e+05
    or (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   22 and name  HG2)
assign (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    4 and name  HB2) 3.557 1.581 1.581 weight 1.000 ! spec=Noesy, no=760, id=759, vol=4.848290e+05
    or (segid "   A" and resid    1 and name  HB2) (segid "   A" and resid    4 and name  HB2)
assign (segid "   A" and resid   42 and name  HB2) (segid "   A" and resid   22 and name  HG1) 3.667 1.681 1.681 weight 1.000 ! spec=Noesy, no=762, id=761, vol=4.409220e+05
    or (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   22 and name  HG2)
    or (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid   45 and name  HB2) (segid "   A" and resid   22 and name  HG2) 3.520 1.549 1.549 weight 1.000 ! spec=Noesy, no=763, id=762, vol=6.079915e+05
    or (segid "   A" and resid   45 and name  HB2) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   22 and name  HG1) 3.485 1.518 1.518 weight 1.000 ! spec=Noesy, no=764, id=763, vol=6.227878e+05
    or (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   22 and name  HG2)
assign (segid "   A" and resid   48 and name  HA1) (segid "   A" and resid   49 and name  HG2) 3.699 1.710 1.710 weight 1.000 ! spec=Noesy, no=766, id=765, vol=4.301422e+05
    or (segid "   A" and resid   48 and name  HA1) (segid "   A" and resid   49 and name  HG1)
assign (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   43 and name  HG2) 3.705 1.716 1.716 weight 1.000 ! spec=Noesy, no=770, id=769, vol=4.283598e+05
    or (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   22 and name  HB2)
assign (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   28 and name   HA) 2.392 0.715 0.715 weight 1.000 ! spec=Noesy, no=802, id=801, vol=5.960774e+06
    or (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   28 and name   HA)
assign (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   32 and name   HA) 3.513 1.542 1.542 weight 1.000 ! spec=Noesy, no=808, id=807, vol=6.354335e+05
    or (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   32 and name   HA)
assign (segid "   A" and resid   43 and name  HD1) (segid "   A" and resid   42 and name   HA) 3.559 1.584 1.584 weight 1.000 ! spec=Noesy, no=815, id=814, vol=1.073269e+06
    or (segid "   A" and resid   43 and name  HD2) (segid "   A" and resid   42 and name   HA)
assign (segid "   A" and resid   49 and name  HD1) (segid "   A" and resid   47 and name   HA) 2.896 1.048 1.048 weight 1.000 ! spec=Noesy, no=820, id=819, vol=2.557010e+06
    or (segid "   A" and resid   49 and name  HD2) (segid "   A" and resid   47 and name   HA)
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    2 and name   HA) 2.489 0.774 0.774 weight 1.000 ! spec=Noesy, no=840, id=839, vol=3.858078e+06
    or (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid    2 and name   HA)
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name   HA) 3.215 1.292 1.292 weight 1.000 ! spec=Noesy, no=841, id=840, vol=1.080051e+06
    or (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   42 and name  HB2) (segid "   A" and resid   43 and name   HA) 3.230 1.304 1.304 weight 1.000 ! spec=Noesy, no=845, id=844, vol=1.038901e+06
    or (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   43 and name   HA)
assign (segid "   A" and resid   43 and name  HD2) (segid "   A" and resid   43 and name   HA) 3.043 3.043 2.957 weight 1.000 ! spec=Noesy, no=846, id=845, vol=1.423728e+06
    or (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   43 and name  HD1)
assign (segid "   A" and resid   43 and name  HB2) (segid "   A" and resid   43 and name   HA) 2.365 0.699 0.699 weight 1.000 ! spec=Noesy, no=851, id=850, vol=6.190562e+06
    or (segid "   A" and resid   43 and name  HB1) (segid "   A" and resid   43 and name   HA)
assign (segid "   A" and resid   41 and name  HB1) (segid "   A" and resid   41 and name   HA) 2.305 0.664 0.664 weight 1.000 ! spec=Noesy, no=854, id=853, vol=6.405405e+06
    or (segid "   A" and resid   41 and name  HB2) (segid "   A" and resid   41 and name   HA)
assign (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   34 and name   HA) 2.365 0.699 0.699 weight 1.000 ! spec=Noesy, no=857, id=856, vol=6.373926e+06
    or (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name   HA)
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    6 and name   HA) 3.543 1.569 1.569 weight 1.000 ! spec=Noesy, no=861, id=859, vol=5.839500e+05
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid   49 and name  HG1) (segid "   A" and resid   49 and name   HA) 2.663 0.887 0.887 weight 1.000 ! spec=Noesy, no=865, id=863, vol=3.136320e+06
    or (segid "   A" and resid   49 and name  HG2) (segid "   A" and resid   49 and name   HA)
assign (segid "   A" and resid    3 and name  HG1) (segid "   A" and resid    3 and name   HA) 2.832 1.002 1.002 weight 1.000 ! spec=Noesy, no=872, id=870, vol=1.378783e+06
    or (segid "   A" and resid    3 and name  HG2) (segid "   A" and resid    3 and name   HA)
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid   12 and name   HA) 2.735 0.935 0.935 weight 1.000 ! spec=Noesy, no=874, id=872, vol=2.264660e+06
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid   12 and name   HA)
assign (segid "   A" and resid   18 and name  HD1) (segid "   A" and resid   17 and name   HA) 2.567 2.567 3.433 weight 1.000 ! spec=Noesy, no=875, id=873, vol=3.515910e+06
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   18 and name  HD1)
assign (segid "   A" and resid   15 and name  HB3) (segid "   A" and resid   17 and name   HA) 3.401 1.446 1.446 weight 1.000 ! spec=Noesy, no=877, id=875, vol=6.825618e+05
    or (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   17 and name   HA)
    or (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   17 and name   HA)
    or (segid "   A" and resid   15 and name  HB3) (segid "   A" and resid   16 and name   HA)
    or (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   16 and name   HA)
    or (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   16 and name   HA)
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   25 and name   HA) 3.894 1.896 1.896 weight 1.000 ! spec=Noesy, no=949, id=946, vol=3.167685e+05
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   47 and name   HA)
assign (segid "   A" and resid   18 and name   HE) (segid "   A" and resid   17 and name   HA) 4.166 2.169 2.169 weight 1.000 ! spec=Noesy, no=968, id=965, vol=1.640675e+05
    or (segid "   A" and resid   18 and name   HE) (segid "   A" and resid   16 and name   HA)
assign (segid "   A" and resid   17 and name HD21) (segid "   A" and resid   13 and name  HB1) 4.640 2.692 2.692 weight 1.000 ! spec=Noesy, no=989, id=986, vol=9.728325e+04
    or (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   13 and name  HB1)
assign (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid    1 and name  HB1) 3.967 1.967 1.967 weight 1.000 ! spec=Noesy, no=996, id=993, vol=2.390235e+05
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   11 and name  HB2)
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid    1 and name  HB2)
    or (segid "   A" and resid    6 and name   HE) (segid "   A" and resid    1 and name  HB1)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   40 and name  HA2) 4.480 2.509 2.509 weight 1.000 ! spec=Noesy, no=997, id=994, vol=8.547700e+04
    or (segid "   A" and resid    9 and name  HD2) (segid "   A" and resid   40 and name  HA2)
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name  HB1) 3.813 1.817 1.817 weight 1.000 ! spec=Noesy, no=1000, id=997, vol=3.361172e+05
    or (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name  HB2)
assign (segid "   A" and resid    9 and name  HD2) (segid "   A" and resid   41 and name  HB1) 4.802 2.883 2.883 weight 1.000 ! spec=Noesy, no=1001, id=998, vol=6.834025e+04
    or (segid "   A" and resid    9 and name  HD2) (segid "   A" and resid   41 and name  HB2)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   47 and name  HD1) 3.985 1.985 1.985 weight 1.000 ! spec=Noesy, no=1003, id=1000, vol=2.724558e+05
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   15 and name   HA)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   15 and name   HA) 4.299 2.310 2.310 weight 1.000 ! spec=Noesy, no=1007, id=1004, vol=1.587675e+05
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   47 and name  HD1)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   27 and name  HB1) 3.878 1.880 1.880 weight 1.000 ! spec=Noesy, no=1011, id=1008, vol=3.031462e+05
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   28 and name  HB2) 4.421 2.443 2.443 weight 1.000 ! spec=Noesy, no=1022, id=1019, vol=1.055882e+05
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   28 and name  HB2)
    or (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   28 and name  HB1)
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   28 and name  HB1)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    6 and name  HD1) 4.251 2.259 2.259 weight 1.000 ! spec=Noesy, no=1039, id=1036, vol=1.675230e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    6 and name  HD2)
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name  HD1) 3.743 1.751 1.751 weight 1.000 ! spec=Noesy, no=1041, id=1038, vol=3.573088e+05
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name  HD2)
assign (segid "   A" and resid   33 and name  HD1) (segid "   A" and resid   34 and name  HB1) 4.304 2.315 2.315 weight 1.000 ! spec=Noesy, no=1042, id=1039, vol=8.482575e+04
    or (segid "   A" and resid   33 and name  HD1) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   25 and name  HB1) 3.744 1.752 1.752 weight 1.000 ! spec=Noesy, no=1043, id=1040, vol=2.786468e+05
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   25 and name  HB1)
    or (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   50 and name  HD2)
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   50 and name  HD2)
assign (segid "   A" and resid   33 and name  HE3) (segid "   A" and resid   34 and name  HB2) 4.552 2.590 2.590 weight 1.000 ! spec=Noesy, no=1044, id=1041, vol=1.177075e+05
    or (segid "   A" and resid   33 and name  HE3) (segid "   A" and resid   34 and name  HB1)
assign (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   25 and name  HB1) 4.388 2.406 2.406 weight 1.000 ! spec=Noesy, no=1045, id=1042, vol=1.232240e+05
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   25 and name  HB1)
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HB1) 3.857 1.860 1.860 weight 1.000 ! spec=Noesy, no=1057, id=1053, vol=3.076940e+05
    or (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HB2)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name  HB1) 4.255 2.263 2.263 weight 1.000 ! spec=Noesy, no=1058, id=1054, vol=1.719228e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name  HB2)
assign (segid "   A" and resid    2 and name  HE1) (segid "   A" and resid    2 and name  HB1) 4.221 2.227 2.227 weight 1.000 ! spec=Noesy, no=1059, id=1055, vol=7.774125e+04
    or (segid "   A" and resid    2 and name  HE2) (segid "   A" and resid    2 and name  HB1)
    or (segid "   A" and resid    2 and name  HE1) (segid "   A" and resid    2 and name  HB2)
    or (segid "   A" and resid    2 and name  HE2) (segid "   A" and resid    2 and name  HB2)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   36 and name  HB2) 4.272 2.282 2.282 weight 1.000 ! spec=Noesy, no=1063, id=1059, vol=1.625332e+05
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   42 and name  HB2)
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   22 and name  HD2) 4.446 2.471 2.471 weight 1.000 ! spec=Noesy, no=1106, id=1102, vol=1.301088e+05
    or (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   22 and name  HD1)
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   22 and name  HD1) 3.773 3.773 2.227 weight 1.000 ! spec=Noesy, no=1109, id=1104, vol=4.126502e+05
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   10 and name  HB1)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name  HD2) 4.426 2.448 2.448 weight 1.000 ! spec=Noesy, no=1110, id=1105, vol=1.327215e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name  HD1)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   10 and name  HB1) 4.002 2.002 2.002 weight 1.000 ! spec=Noesy, no=1111, id=1106, vol=2.456548e+05
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   38 and name   HB)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HG2) 4.032 2.032 2.032 weight 1.000 ! spec=Noesy, no=1117, id=1112, vol=2.412632e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HG1)
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   18 and name  HB1) 4.438 2.461 2.461 weight 1.000 ! spec=Noesy, no=1123, id=1118, vol=1.757768e+05
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   47 and name  HB1)
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   47 and name  HB1)
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   18 and name  HB1) 4.810 2.892 2.892 weight 1.000 ! spec=Noesy, no=1124, id=1119, vol=8.324775e+04
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   47 and name  HB1)
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   47 and name  HB1)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   22 and name  HG1) 3.957 1.957 1.957 weight 1.000 ! spec=Noesy, no=1145, id=1140, vol=2.780098e+05
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   22 and name  HG2)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name  HG2) 4.624 2.673 2.673 weight 1.000 ! spec=Noesy, no=1146, id=1141, vol=1.085235e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   22 and name  HG2) 4.227 2.233 2.233 weight 1.000 ! spec=Noesy, no=1147, id=1142, vol=1.876405e+05
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   22 and name  HG2)
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   22 and name  HG1)
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   22 and name  HG2) 4.259 2.267 2.267 weight 1.000 ! spec=Noesy, no=1148, id=1143, vol=1.386102e+05
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   22 and name  HG2)
    or (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   22 and name  HG1)
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   22 and name  HG1) 4.633 2.683 2.683 weight 1.000 ! spec=Noesy, no=1149, id=1144, vol=9.755650e+04
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   22 and name  HG1)
    or (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   22 and name  HG2)
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   22 and name  HG2)
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   22 and name  HG1) 4.547 2.585 2.585 weight 1.000 ! spec=Noesy, no=1150, id=1145, vol=1.310705e+05
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   22 and name  HG1)
    or (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   22 and name  HG2)
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   22 and name  HG2)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   22 and name  HG2) 3.984 1.984 1.984 weight 1.000 ! spec=Noesy, no=1151, id=1146, vol=2.799795e+05
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid   49 and name   HE) (segid "   A" and resid   49 and name  HG1) 3.817 1.821 1.821 weight 1.000 ! spec=Noesy, no=1155, id=1150, vol=3.122495e+05
    or (segid "   A" and resid   49 and name   HE) (segid "   A" and resid   49 and name  HG2)
assign (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   29 and name  HB2) 4.442 2.467 2.467 weight 1.000 ! spec=Noesy, no=1156, id=1151, vol=1.218785e+05
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   29 and name  HB2)
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   29 and name  HB2)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   29 and name  HB2) 4.551 2.589 2.589 weight 1.000 ! spec=Noesy, no=1157, id=1152, vol=1.215645e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   29 and name  HB2)
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   43 and name  HB2) 4.461 2.488 2.488 weight 1.000 ! spec=Noesy, no=1166, id=1161, vol=1.206582e+05
    or (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   43 and name  HB1)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   43 and name  HB2) 4.230 2.237 2.237 weight 1.000 ! spec=Noesy, no=1170, id=1165, vol=1.788608e+05
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   46 and name  HG1)
assign (segid "   A" and resid   33 and name  HE3) (segid "   A" and resid   43 and name  HB1) 4.036 2.037 2.037 weight 1.000 ! spec=Noesy, no=1171, id=1166, vol=2.335398e+05
    or (segid "   A" and resid   33 and name  HE3) (segid "   A" and resid   43 and name  HB2)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   43 and name  HB2) 4.353 2.368 2.368 weight 1.000 ! spec=Noesy, no=1172, id=1167, vol=1.474212e+05
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   46 and name  HG1)
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   43 and name  HB2)
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   46 and name  HG1)
assign (segid "   A" and resid   33 and name  HH2) (segid "   A" and resid   43 and name  HB2) 3.951 1.951 1.951 weight 1.000 ! spec=Noesy, no=1173, id=1168, vol=2.836212e+05
    or (segid "   A" and resid   33 and name  HH2) (segid "   A" and resid   43 and name  HB1)
assign (segid "   A" and resid   33 and name  HZ3) (segid "   A" and resid   43 and name  HB1) 3.807 1.811 1.811 weight 1.000 ! spec=Noesy, no=1174, id=1169, vol=3.596650e+05
    or (segid "   A" and resid   33 and name  HZ3) (segid "   A" and resid   43 and name  HB2)
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   22 and name  HD1) 4.711 2.774 2.774 weight 1.000 ! spec=Noesy, no=1219, id=1214, vol=1.230598e+05
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   22 and name  HD2)
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   22 and name  HG1) 4.574 2.615 2.615 weight 1.000 ! spec=Noesy, no=1220, id=1215, vol=1.181990e+05
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   22 and name  HG2)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HE3) 4.780 2.857 2.857 weight 1.000 ! spec=Noesy, no=1231, id=1226, vol=7.850825e+04
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   33 and name  HD1)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   26 and name  HE1) 4.077 2.078 2.078 weight 1.000 ! spec=Noesy, no=1246, id=1241, vol=2.291078e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   26 and name  HE2)
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   28 and name  HD2)
assign (segid "   A" and resid    9 and name  HE1) (segid "   A" and resid   42 and name  HE2) 4.840 2.928 2.928 weight 1.000 ! spec=Noesy, no=1266, id=1261, vol=8.034900e+04
    or (segid "   A" and resid    9 and name  HE1) (segid "   A" and resid   42 and name  HE1)
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   42 and name  HE2)
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   42 and name  HE1)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   36 and name HD21) 3.961 1.961 1.961 weight 1.000 ! spec=Noesy, no=1288, id=1283, vol=2.780288e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name   HA)
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   28 and name  HB1) 4.211 2.216 2.216 weight 1.000 ! spec=Noesy, no=1290, id=1285, vol=1.993465e+05
    or (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   35 and name HD22) 3.900 1.901 1.901 weight 1.000 ! spec=Noesy, no=1308, id=1303, vol=2.997858e+05
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   35 and name HD22)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   21 and name   HA) 4.005 2.005 2.005 weight 1.000 ! spec=Noesy, no=1319, id=1314, vol=2.694322e+05
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   21 and name   HA)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   46 and name  HB2) 3.937 1.938 1.938 weight 1.000 ! spec=Noesy, no=1322, id=1317, vol=2.948920e+05
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   46 and name  HB2)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   22 and name  HG1) 4.438 2.462 2.462 weight 1.000 ! spec=Noesy, no=1332, id=1327, vol=1.375545e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   22 and name  HG2)
assign (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   49 and name  HD1) 4.214 2.220 2.220 weight 1.000 ! spec=Noesy, no=1338, id=1333, vol=1.848860e+05
    or (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   49 and name  HD2)
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   28 and name  HB1) 3.945 1.945 1.945 weight 1.000 ! spec=Noesy, no=1339, id=1334, vol=3.865692e+05
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name  HB1) 3.191 1.273 1.273 weight 1.000 ! spec=Noesy, no=1350, id=1345, vol=1.226752e+06
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name  HB2)
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   46 and name  HG1) 4.663 2.718 2.718 weight 1.000 ! spec=Noesy, no=1364, id=1359, vol=1.076652e+05
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   43 and name  HG2)
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   44 and name  HB2) 4.404 2.424 2.424 weight 1.000 ! spec=Noesy, no=1371, id=1366, vol=1.475752e+05
    or (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   36 and name  HB2)
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   25 and name  HB2) 4.619 2.667 2.667 weight 1.000 ! spec=Noesy, no=1374, id=1369, vol=1.252522e+05
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   32 and name  HB2)
assign (segid "   A" and resid   41 and name   HA) (segid "   A" and resid   42 and name   HA) 4.055 2.055 2.055 weight 1.000 ! spec=Noesy, no=1381, id=1376, vol=2.659885e+05
    or (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   39 and name   HA)
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   14 and name   HA) 3.109 1.208 1.208 weight 1.000 ! spec=Noesy, no=1382, id=1377, vol=1.123343e+06
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   14 and name   HA)
assign (segid "   A" and resid   48 and name  HA2) (segid "   A" and resid   47 and name   HA) 3.480 1.513 1.513 weight 1.000 ! spec=Noesy, no=1389, id=1384, vol=7.601462e+05
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   41 and name  HB1) (segid "   A" and resid   42 and name   HA) 4.252 2.260 2.260 weight 1.000 ! spec=Noesy, no=1394, id=1389, vol=2.244590e+05
    or (segid "   A" and resid   41 and name  HB2) (segid "   A" and resid   42 and name   HA)
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   44 and name   HA) 4.266 2.275 2.275 weight 1.000 ! spec=Noesy, no=1406, id=1401, vol=1.594672e+05
    or (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   46 and name   HA) 4.101 2.102 2.102 weight 1.000 ! spec=Noesy, no=1412, id=1407, vol=2.321445e+05
    or (segid "   A" and resid   47 and name  HB1) (segid "   A" and resid   46 and name   HA)
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid    5 and name HG23) 4.161 2.164 2.164 weight 1.000 ! spec=Noesy, no=1426, id=1421, vol=2.194855e+05
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid    5 and name HG21)
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid    5 and name HG22)
    or (segid "   A" and resid    5 and name HG23) (segid "   A" and resid    6 and name   HA)
    or (segid "   A" and resid    5 and name HG21) (segid "   A" and resid    6 and name   HA)
    or (segid "   A" and resid    5 and name HG22) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   38 and name HG23) 4.186 2.190 2.190 weight 1.000 ! spec=Noesy, no=1429, id=1424, vol=2.205912e+05
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   38 and name HG21)
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   38 and name HG23)
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   43 and name  HB1) 3.976 1.976 1.976 weight 1.000 ! spec=Noesy, no=1434, id=1429, vol=2.688330e+05
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   43 and name  HB2)
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    4 and name  HG2) 4.142 2.144 2.144 weight 1.000 ! spec=Noesy, no=1442, id=1437, vol=2.192408e+05
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    6 and name  HG2)
assign (segid "   A" and resid   48 and name  HA2) (segid "   A" and resid   49 and name  HG2) 5.367 3.600 3.600 weight 1.000 ! spec=Noesy, no=1443, id=1438, vol=9.773325e+04
    or (segid "   A" and resid   48 and name  HA2) (segid "   A" and resid   49 and name  HG1)
assign (segid "   A" and resid   48 and name  HA1) (segid "   A" and resid   47 and name  HB1) 3.879 1.880 1.880 weight 1.000 ! spec=Noesy, no=1450, id=1445, vol=3.066432e+05
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   18 and name  HB1)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   46 and name  HD1) 4.170 2.174 2.174 weight 1.000 ! spec=Noesy, no=1457, id=1452, vol=2.130462e+05
    or (segid "   A" and resid   47 and name  HD1) (segid "   A" and resid   46 and name  HD1)
assign (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   43 and name  HD1) 3.811 1.816 1.816 weight 1.000 ! spec=Noesy, no=1460, id=1455, vol=4.152140e+05
    or (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   43 and name  HD2)
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   34 and name  HB2) 3.816 1.820 1.820 weight 1.000 ! spec=Noesy, no=1462, id=1457, vol=3.702035e+05
    or (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   34 and name  HB1)
assign (segid "   A" and resid   48 and name  HA2) (segid "   A" and resid   49 and name  HD1) 3.785 1.791 1.791 weight 1.000 ! spec=Noesy, no=1464, id=1459, vol=3.868288e+05
    or (segid "   A" and resid   48 and name  HA2) (segid "   A" and resid   49 and name  HD2)
assign (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   50 and name  HD1) 4.117 2.119 2.119 weight 1.000 ! spec=Noesy, no=1465, id=1460, vol=2.690228e+05
    or (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   50 and name  HD2)
assign (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   28 and name  HB2) 3.577 1.599 1.599 weight 1.000 ! spec=Noesy, no=1468, id=1463, vol=5.551412e+05
    or (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   28 and name  HB1)
    or (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   28 and name  HB2)
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   28 and name  HB1)
assign (segid "   A" and resid   41 and name  HB1) (segid "   A" and resid   40 and name  HA1) 3.286 1.349 1.349 weight 1.000 ! spec=Noesy, no=1471, id=1466, vol=1.041091e+06
    or (segid "   A" and resid   41 and name  HB2) (segid "   A" and resid   40 and name  HA1)
assign (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   22 and name  HG1) 3.593 1.613 1.613 weight 1.000 ! spec=Noesy, no=1493, id=1488, vol=5.720220e+05
    or (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   22 and name  HG2)
assign (segid "   A" and resid   50 and name  HD1) (segid "   A" and resid   50 and name  HB2) 3.070 1.178 1.178 weight 1.000 ! spec=Noesy, no=1499, id=1494, vol=1.358630e+06
    or (segid "   A" and resid   50 and name  HD2) (segid "   A" and resid   50 and name  HB2)
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    6 and name  HG2) 2.545 0.810 0.810 weight 1.000 ! spec=Noesy, no=1500, id=1495, vol=4.086860e+06
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    6 and name  HG2)
assign (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   46 and name  HG1) 2.920 1.066 1.066 weight 1.000 ! spec=Noesy, no=1501, id=1496, vol=2.153273e+06
    or (segid "   A" and resid   42 and name  HB2) (segid "   A" and resid   43 and name  HG2)
assign (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   38 and name HG13) 4.388 2.407 2.407 weight 1.000 ! spec=Noesy, no=1508, id=1503, vol=2.163952e+05
    or (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   38 and name HG11)
    or (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   38 and name HG13)
    or (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   38 and name HG11)
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   43 and name  HG2) 3.950 1.950 1.950 weight 1.000 ! spec=Noesy, no=1524, id=1519, vol=2.707905e+05
    or (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   43 and name  HB2)
    or (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   43 and name  HB1)
assign (segid "   A" and resid   49 and name  HB2) (segid "   A" and resid   49 and name  HG1) 1.862 0.433 0.433 weight 1.000 ! spec=Noesy, no=1526, id=1521, vol=2.725811e+07
    or (segid "   A" and resid   49 and name  HB2) (segid "   A" and resid   49 and name  HG2)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   39 and name   HN) 4.120 2.121 2.121 weight 1.000 ! spec=Noesy, no=1540, id=1535, vol=2.478270e+05
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   42 and name   HN)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HB2) 3.408 1.452 1.452 weight 1.000 ! spec=Noesy, no=1579, id=1555, vol=6.465088e+05
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   32 and name  HB2)
assign (segid "   A" and resid   26 and name   HZ) (segid "   A" and resid   22 and name  HG1) 3.983 1.983 1.983 weight 1.000 ! spec=Noesy, no=1584, id=1558, vol=3.341685e+05
    or (segid "   A" and resid   26 and name   HZ) (segid "   A" and resid   22 and name  HG2)
assign (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid   12 and name   HA) 3.174 1.259 1.259 weight 1.000 ! spec=Noesy, no=1598, id=1570, vol=9.161058e+05
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid   13 and name   HA)
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid   16 and name   HA)
assign (segid "   A" and resid   37 and name  HB2) (segid "   A" and resid   37 and name   HA) 2.264 0.641 0.641 weight 1.000 ! spec=Noesy, no=1606, id=1577, vol=7.422393e+06
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name  HB1)
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   22 and name  HD1) 3.344 1.398 1.398 weight 1.000 ! spec=Noesy, no=1622, id=1593, vol=7.590915e+05
    or (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   22 and name  HD2)
assign (segid "   A" and resid   45 and name  HB2) (segid "   A" and resid   22 and name  HD1) 3.229 1.303 1.303 weight 1.000 ! spec=Noesy, no=1623, id=1594, vol=1.044500e+06
    or (segid "   A" and resid   45 and name  HB2) (segid "   A" and resid   22 and name  HD2)
    or (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   22 and name  HD2)
assign (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   22 and name  HD1) 3.212 1.290 1.290 weight 1.000 ! spec=Noesy, no=1625, id=1596, vol=9.780670e+05
    or (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   22 and name  HD1)
    or (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   22 and name  HD2)
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   10 and name  HB2) 4.270 2.279 2.279 weight 1.000 ! spec=Noesy, no=1634, id=1604, vol=1.847762e+05
    or (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   22 and name  HB2)
    or (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   43 and name  HG2)
# Restraints file 5: unambig.tbl
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name   HA) 2.211 0.611 0.611 weight 1.000 ! spec=Noesy, no=1, id=0, vol=9.858241e+06
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   36 and name HD21) 1.678 0.352 0.352 weight 1.000 ! spec=Noesy, no=2, id=1, vol=4.196343e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name   HA) 2.316 0.671 0.671 weight 1.000 ! spec=Noesy, no=3, id=2, vol=7.358634e+06
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   29 and name   HA) 2.446 0.748 0.748 weight 1.000 ! spec=Noesy, no=4, id=3, vol=4.971868e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name   HA) 2.602 0.846 0.846 weight 1.000 ! spec=Noesy, no=5, id=4, vol=3.192359e+06
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   45 and name   HA) 2.154 0.580 0.580 weight 1.000 ! spec=Noesy, no=6, id=5, vol=1.082255e+07
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name   HA) 2.198 0.604 0.604 weight 1.000 ! spec=Noesy, no=7, id=6, vol=9.507101e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name   HA) 2.098 0.550 0.550 weight 1.000 ! spec=Noesy, no=8, id=7, vol=1.177394e+07
assign (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   26 and name   HA) 2.165 0.586 0.586 weight 1.000 ! spec=Noesy, no=9, id=8, vol=1.085072e+07
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   26 and name   HA)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name   HA) 2.272 0.645 0.645 weight 1.000 ! spec=Noesy, no=10, id=9, vol=7.716440e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name   HA) 2.574 0.828 0.828 weight 1.000 ! spec=Noesy, no=11, id=10, vol=3.525330e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HA1) 2.299 0.661 0.661 weight 1.000 ! spec=Noesy, no=12, id=11, vol=7.448350e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HA1) 2.560 0.819 0.819 weight 1.000 ! spec=Noesy, no=13, id=12, vol=4.066689e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name   HA) 2.091 0.546 0.546 weight 1.000 ! spec=Noesy, no=14, id=13, vol=1.188904e+07
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   32 and name   HA) 2.553 0.815 0.815 weight 1.000 ! spec=Noesy, no=15, id=14, vol=4.265058e+06
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   32 and name   HA)
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   39 and name   HA) 2.377 0.706 0.706 weight 1.000 ! spec=Noesy, no=16, id=15, vol=4.985479e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name   HA) 2.458 0.755 0.755 weight 1.000 ! spec=Noesy, no=17, id=16, vol=5.016771e+06
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   42 and name   HA) 2.343 2.343 3.657 weight 1.000 ! spec=Noesy, no=19, id=18, vol=5.413946e+06
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   42 and name   HA)
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   42 and name   HA) 2.063 0.532 0.532 weight 1.000 ! spec=Noesy, no=20, id=19, vol=1.445540e+07
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   42 and name   HA)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HA) 2.204 0.607 0.607 weight 1.000 ! spec=Noesy, no=21, id=20, vol=9.089447e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name   HA) 2.216 0.614 0.614 weight 1.000 ! spec=Noesy, no=22, id=21, vol=8.884311e+06
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   47 and name   HA) 1.997 0.499 0.499 weight 1.000 ! spec=Noesy, no=23, id=22, vol=1.647483e+07
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name   HA) 2.171 0.589 0.589 weight 1.000 ! spec=Noesy, no=24, id=23, vol=1.075676e+07
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name   HA) 2.332 2.332 3.668 weight 1.000 ! spec=Noesy, no=25, id=24, vol=6.819042e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name   HA) 2.213 0.612 0.612 weight 1.000 ! spec=Noesy, no=26, id=25, vol=8.909069e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name   HA) 2.102 0.552 0.552 weight 1.000 ! spec=Noesy, no=27, id=26, vol=1.219773e+07
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name   HA) 2.356 0.694 0.694 weight 1.000 ! spec=Noesy, no=28, id=27, vol=6.328193e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HA) 2.131 2.131 3.869 weight 1.000 ! spec=Noesy, no=29, id=28, vol=1.086433e+07
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HA) 2.584 0.835 0.835 weight 1.000 ! spec=Noesy, no=30, id=29, vol=3.011066e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name   HA) 2.422 0.733 0.733 weight 1.000 ! spec=Noesy, no=31, id=30, vol=4.915060e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name   HA) 2.592 0.840 0.840 weight 1.000 ! spec=Noesy, no=32, id=31, vol=3.584164e+06
assign (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   10 and name   HA) 2.048 2.048 3.952 weight 1.000 ! spec=Noesy, no=33, id=32, vol=1.244132e+07
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HA) 2.105 2.105 3.895 weight 1.000 ! spec=Noesy, no=34, id=33, vol=1.181978e+07
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB1) 2.387 0.712 0.712 weight 1.000 ! spec=Noesy, no=35, id=34, vol=6.023172e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name   HA) 2.225 0.619 0.619 weight 1.000 ! spec=Noesy, no=37, id=36, vol=7.634039e+06
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   49 and name   HA) 2.128 2.128 3.872 weight 1.000 ! spec=Noesy, no=38, id=37, vol=1.093086e+07
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name   HA) 2.418 0.731 0.731 weight 1.000 ! spec=Noesy, no=39, id=38, vol=4.707898e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name   HA) 2.326 0.676 0.676 weight 1.000 ! spec=Noesy, no=40, id=39, vol=6.622082e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name   HA) 2.470 0.763 0.763 weight 1.000 ! spec=Noesy, no=41, id=40, vol=4.318129e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HA) 2.129 0.566 0.566 weight 1.000 ! spec=Noesy, no=42, id=41, vol=1.039893e+07
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HA) 2.157 0.582 0.582 weight 1.000 ! spec=Noesy, no=43, id=42, vol=1.046279e+07
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   48 and name  HA1) 2.479 0.768 0.768 weight 1.000 ! spec=Noesy, no=44, id=43, vol=5.119550e+06
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   48 and name  HA1) 2.349 2.349 3.651 weight 1.000 ! spec=Noesy, no=45, id=44, vol=6.313959e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name   HA) 1.989 0.495 0.495 weight 1.000 ! spec=Noesy, no=46, id=45, vol=1.685589e+07
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name   HA) 2.090 0.546 0.546 weight 1.000 ! spec=Noesy, no=49, id=48, vol=1.232583e+07
assign (segid "   A" and resid   20 and name  HZ2) (segid "   A" and resid   12 and name   HA) 2.439 0.744 0.744 weight 1.000 ! spec=Noesy, no=51, id=50, vol=5.336432e+06
assign (segid "   A" and resid   20 and name  HE3) (segid "   A" and resid   13 and name   HA) 2.490 0.775 0.775 weight 1.000 ! spec=Noesy, no=52, id=51, vol=3.944901e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name   HA) 2.084 0.543 0.543 weight 1.000 ! spec=Noesy, no=53, id=52, vol=1.344719e+07
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name   HA) 2.394 0.717 0.717 weight 1.000 ! spec=Noesy, no=54, id=53, vol=5.108238e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HA) 2.042 0.521 0.521 weight 1.000 ! spec=Noesy, no=55, id=54, vol=1.408275e+07
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name   HA) 2.569 0.825 0.825 weight 1.000 ! spec=Noesy, no=56, id=55, vol=3.197539e+06
assign (segid "   A" and resid   33 and name  HE3) (segid "   A" and resid   33 and name   HA) 2.432 0.739 0.739 weight 1.000 ! spec=Noesy, no=57, id=56, vol=5.624119e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name   HA) 2.334 0.681 0.681 weight 1.000 ! spec=Noesy, no=58, id=57, vol=6.126245e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name  HB2) 2.390 0.714 0.714 weight 1.000 ! spec=Noesy, no=59, id=58, vol=5.715288e+06
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   48 and name  HA2) 2.413 2.413 3.587 weight 1.000 ! spec=Noesy, no=61, id=60, vol=5.358718e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name   HA) 2.479 0.768 0.768 weight 1.000 ! spec=Noesy, no=62, id=61, vol=4.266405e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name  HB1) 2.390 0.714 0.714 weight 1.000 ! spec=Noesy, no=63, id=62, vol=5.366916e+06
assign (segid "   A" and resid   17 and name HD22) (segid "   A" and resid   50 and name   HA) 2.427 2.427 3.573 weight 1.000 ! spec=Noesy, no=64, id=63, vol=4.375434e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HA2) 2.310 0.667 0.667 weight 1.000 ! spec=Noesy, no=65, id=64, vol=6.806592e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB2) 2.500 0.781 0.781 weight 1.000 ! spec=Noesy, no=66, id=65, vol=4.366513e+06
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   11 and name  HB2) 2.432 0.740 0.740 weight 1.000 ! spec=Noesy, no=67, id=66, vol=5.182060e+06
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   11 and name  HB2)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name  HA2) 2.162 0.584 0.584 weight 1.000 ! spec=Noesy, no=68, id=67, vol=1.080923e+07
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name   HA) 2.062 0.532 0.532 weight 1.000 ! spec=Noesy, no=69, id=68, vol=1.387486e+07
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HA) 2.333 0.681 0.681 weight 1.000 ! spec=Noesy, no=70, id=69, vol=6.542083e+06
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   23 and name   HA) 2.560 0.819 0.819 weight 1.000 ! spec=Noesy, no=72, id=71, vol=3.852976e+06
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   23 and name   HA)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name  HA1) 2.506 2.506 3.494 weight 1.000 ! spec=Noesy, no=74, id=73, vol=4.449440e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HA1) 2.117 0.560 0.560 weight 1.000 ! spec=Noesy, no=75, id=74, vol=1.191475e+07
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name   HB) 2.341 0.685 0.685 weight 1.000 ! spec=Noesy, no=76, id=75, vol=6.589414e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB2) 2.196 0.603 0.603 weight 1.000 ! spec=Noesy, no=77, id=76, vol=9.136477e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HA2) 2.394 0.716 0.716 weight 1.000 ! spec=Noesy, no=78, id=77, vol=5.792016e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HA2) 2.582 0.834 0.834 weight 1.000 ! spec=Noesy, no=79, id=78, vol=3.745209e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB1) 2.453 2.453 3.547 weight 1.000 ! spec=Noesy, no=80, id=79, vol=4.489015e+06
assign (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   12 and name  HB1) 2.376 0.706 0.706 weight 1.000 ! spec=Noesy, no=81, id=80, vol=4.926492e+06
assign (segid "   A" and resid   33 and name  HE3) (segid "   A" and resid   33 and name  HB1) 2.498 0.780 0.780 weight 1.000 ! spec=Noesy, no=82, id=81, vol=4.829896e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB1) 2.607 0.849 0.849 weight 1.000 ! spec=Noesy, no=83, id=82, vol=3.161226e+06
assign (segid "   A" and resid   33 and name  HD1) (segid "   A" and resid   33 and name  HB1) 2.517 2.517 3.483 weight 1.000 ! spec=Noesy, no=84, id=83, vol=3.408928e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HB2) 2.403 0.722 0.722 weight 1.000 ! spec=Noesy, no=85, id=84, vol=5.428027e+06
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name  HB1) 2.434 0.741 0.741 weight 1.000 ! spec=Noesy, no=86, id=85, vol=5.450611e+06
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   42 and name  HB1) 2.576 0.829 0.829 weight 1.000 ! spec=Noesy, no=87, id=86, vol=3.922513e+06
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   42 and name  HB1)
assign (segid "   A" and resid   18 and name   HE) (segid "   A" and resid   18 and name  HD1) 2.542 0.808 0.808 weight 1.000 ! spec=Noesy, no=88, id=87, vol=3.403946e+06
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   35 and name  HB2) 2.527 0.798 0.798 weight 1.000 ! spec=Noesy, no=89, id=88, vol=3.920735e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB1) 2.494 0.778 0.778 weight 1.000 ! spec=Noesy, no=90, id=89, vol=4.418024e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HB1) 2.538 0.805 0.805 weight 1.000 ! spec=Noesy, no=91, id=90, vol=3.893928e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HB2) 2.434 0.741 0.741 weight 1.000 ! spec=Noesy, no=94, id=93, vol=5.227932e+06
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   30 and name  HB2) 2.200 0.605 0.605 weight 1.000 ! spec=Noesy, no=95, id=94, vol=9.392619e+06
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   30 and name  HB2)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HB1) 2.535 0.803 0.803 weight 1.000 ! spec=Noesy, no=96, id=95, vol=4.049494e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   21 and name  HB1) 2.625 0.861 0.861 weight 1.000 ! spec=Noesy, no=97, id=96, vol=3.409624e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB2) 2.194 0.602 0.602 weight 1.000 ! spec=Noesy, no=98, id=97, vol=8.803516e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name  HB2) 2.272 0.645 0.645 weight 1.000 ! spec=Noesy, no=100, id=99, vol=8.118475e+06
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   42 and name  HB2) 2.521 0.794 0.794 weight 1.000 ! spec=Noesy, no=101, id=100, vol=4.436106e+06
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   42 and name  HB2)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name  HB2) 2.440 2.440 3.560 weight 1.000 ! spec=Noesy, no=102, id=101, vol=5.091092e+06
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   36 and name  HB1) 2.568 0.824 0.824 weight 1.000 ! spec=Noesy, no=104, id=103, vol=3.553282e+06
assign (segid "   A" and resid   33 and name  HD1) (segid "   A" and resid   33 and name  HB2) 2.275 0.647 0.647 weight 1.000 ! spec=Noesy, no=106, id=105, vol=6.222590e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB1) 2.515 0.791 0.791 weight 1.000 ! spec=Noesy, no=107, id=106, vol=4.197039e+06
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   30 and name  HB1) 2.191 0.600 0.600 weight 1.000 ! spec=Noesy, no=108, id=107, vol=9.579435e+06
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   30 and name  HB1)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HB1) 2.507 0.785 0.785 weight 1.000 ! spec=Noesy, no=109, id=108, vol=4.403530e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name  HB1) 2.421 0.733 0.733 weight 1.000 ! spec=Noesy, no=110, id=109, vol=5.325030e+06
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name  HB2) 2.481 0.769 0.769 weight 1.000 ! spec=Noesy, no=111, id=110, vol=4.755400e+06
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   21 and name  HB2) 2.624 0.861 0.861 weight 1.000 ! spec=Noesy, no=112, id=111, vol=3.526528e+06
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   21 and name  HB2)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name  HB1) 2.258 0.637 0.637 weight 1.000 ! spec=Noesy, no=113, id=112, vol=8.069062e+06
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   20 and name  HB1) 2.406 0.724 0.724 weight 1.000 ! spec=Noesy, no=114, id=113, vol=4.693087e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HB2) 2.419 0.732 0.732 weight 1.000 ! spec=Noesy, no=115, id=114, vol=5.411314e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB2) 2.517 0.792 0.792 weight 1.000 ! spec=Noesy, no=116, id=115, vol=4.257128e+06
assign (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   26 and name  HB1) 2.599 0.844 0.844 weight 1.000 ! spec=Noesy, no=118, id=117, vol=3.716262e+06
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   26 and name  HB1)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB1) 2.381 0.708 0.708 weight 1.000 ! spec=Noesy, no=119, id=118, vol=6.495760e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HB2) 2.550 0.813 0.813 weight 1.000 ! spec=Noesy, no=120, id=119, vol=4.112326e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB2) 2.212 0.612 0.612 weight 1.000 ! spec=Noesy, no=121, id=120, vol=8.839875e+06
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   38 and name   HB) 2.378 0.707 0.707 weight 1.000 ! spec=Noesy, no=123, id=122, vol=4.807750e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name   HB) 2.606 2.606 3.394 weight 1.000 ! spec=Noesy, no=124, id=123, vol=3.375446e+06
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   35 and name  HB1) 2.345 0.687 0.687 weight 1.000 ! spec=Noesy, no=125, id=124, vol=6.096409e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HB1) 2.553 0.815 0.815 weight 1.000 ! spec=Noesy, no=126, id=125, vol=4.163973e+06
assign (segid "   A" and resid   35 and name HD22) (segid "   A" and resid   35 and name  HB1) 2.607 0.849 0.849 weight 1.000 ! spec=Noesy, no=127, id=126, vol=3.180069e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   29 and name  HB1) 2.591 0.839 0.839 weight 1.000 ! spec=Noesy, no=128, id=127, vol=3.592336e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HB1) 2.640 0.871 0.871 weight 1.000 ! spec=Noesy, no=129, id=128, vol=3.780903e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HB1) 2.623 0.860 0.860 weight 1.000 ! spec=Noesy, no=130, id=129, vol=3.434260e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HG1) 2.621 0.859 0.859 weight 1.000 ! spec=Noesy, no=131, id=130, vol=3.441145e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB2) 2.462 0.758 0.758 weight 1.000 ! spec=Noesy, no=132, id=131, vol=5.107222e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name   HB) 2.505 0.784 0.784 weight 1.000 ! spec=Noesy, no=133, id=132, vol=4.384242e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB1) 2.565 0.822 0.822 weight 1.000 ! spec=Noesy, no=134, id=133, vol=3.725573e+06
assign (segid "   A" and resid   46 and name   HE) (segid "   A" and resid   46 and name  HB2) 2.541 0.807 0.807 weight 1.000 ! spec=Noesy, no=135, id=134, vol=3.963127e+06
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name  HB1) 2.534 2.534 3.466 weight 1.000 ! spec=Noesy, no=137, id=136, vol=3.974789e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HB2) 2.507 0.786 0.786 weight 1.000 ! spec=Noesy, no=138, id=137, vol=4.654041e+06
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name  HB1) 2.579 0.831 0.831 weight 1.000 ! spec=Noesy, no=139, id=138, vol=3.699120e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name  HB2) 2.452 0.752 0.752 weight 1.000 ! spec=Noesy, no=140, id=139, vol=4.944826e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name  HG2) 2.324 0.675 0.675 weight 1.000 ! spec=Noesy, no=141, id=140, vol=7.047957e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB2) 2.432 0.739 0.739 weight 1.000 ! spec=Noesy, no=142, id=141, vol=5.325635e+06
assign (segid "   A" and resid   43 and name   HE) (segid "   A" and resid   43 and name  HG2) 2.624 0.861 0.861 weight 1.000 ! spec=Noesy, no=143, id=142, vol=3.211978e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB3) 2.520 0.794 0.794 weight 1.000 ! spec=Noesy, no=144, id=143, vol=4.153477e+06
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   15 and name  HB3) 2.605 0.848 0.848 weight 1.000 ! spec=Noesy, no=145, id=144, vol=3.176544e+06
    or (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   15 and name  HB3) 2.613 0.853 0.853 weight 1.000 ! spec=Noesy, no=146, id=145, vol=3.422608e+06
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   22 and name  HB1) 2.524 2.524 3.476 weight 1.000 ! spec=Noesy, no=147, id=146, vol=3.552876e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HG23) 2.528 2.528 3.472 weight 1.000 ! spec=Noesy, no=148, id=147, vol=3.806362e+06
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HG21)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HG22)
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   38 and name HG23) 2.178 0.593 0.593 weight 1.000 ! spec=Noesy, no=149, id=148, vol=8.127652e+06
    or (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name HG23) 2.246 0.631 0.631 weight 1.000 ! spec=Noesy, no=150, id=149, vol=8.675470e+06
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name HG13) 2.304 0.663 0.663 weight 1.000 ! spec=Noesy, no=151, id=150, vol=7.477092e+06
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name HG11)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   10 and name   HN) 2.578 0.831 0.831 weight 1.000 ! spec=Noesy, no=152, id=151, vol=3.377116e+06
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   42 and name   HN) 2.335 0.682 0.682 weight 1.000 ! spec=Noesy, no=153, id=152, vol=6.674504e+06
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   33 and name  HZ2) 2.284 0.652 0.652 weight 1.000 ! spec=Noesy, no=154, id=153, vol=6.172555e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name   HN) 2.339 0.684 0.684 weight 1.000 ! spec=Noesy, no=155, id=154, vol=5.692396e+06
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   33 and name  HD1) 2.027 0.514 0.514 weight 1.000 ! spec=Noesy, no=156, id=155, vol=1.245553e+07
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   20 and name  HE3) 2.418 2.418 3.582 weight 1.000 ! spec=Noesy, no=157, id=156, vol=4.660200e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   38 and name   HN) 2.406 0.724 0.724 weight 1.000 ! spec=Noesy, no=158, id=157, vol=4.907054e+06
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   35 and name HD22) 1.782 0.397 0.397 weight 1.000 ! spec=Noesy, no=159, id=158, vol=3.069177e+07
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   20 and name  HD1) 2.108 0.556 0.556 weight 1.000 ! spec=Noesy, no=160, id=159, vol=1.050754e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HD2) 2.476 0.766 0.766 weight 1.000 ! spec=Noesy, no=161, id=160, vol=4.828966e+06
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name   HN) 2.536 0.804 0.804 weight 1.000 ! spec=Noesy, no=162, id=161, vol=3.943781e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name   HN) 2.615 0.855 0.855 weight 1.000 ! spec=Noesy, no=163, id=162, vol=3.319724e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   43 and name   HN) 2.561 0.820 0.820 weight 1.000 ! spec=Noesy, no=164, id=163, vol=3.747504e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   18 and name   HN) 2.526 0.798 0.798 weight 1.000 ! spec=Noesy, no=165, id=164, vol=4.149735e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name   HN) 2.233 0.623 0.623 weight 1.000 ! spec=Noesy, no=166, id=165, vol=8.793609e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   35 and name   HN) 2.279 0.649 0.649 weight 1.000 ! spec=Noesy, no=167, id=166, vol=6.997332e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name   HN) 2.427 0.736 0.736 weight 1.000 ! spec=Noesy, no=168, id=167, vol=4.773806e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   11 and name   HN) 2.452 0.751 0.751 weight 1.000 ! spec=Noesy, no=169, id=168, vol=4.918425e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name   HN) 2.365 0.699 0.699 weight 1.000 ! spec=Noesy, no=170, id=169, vol=6.164945e+06
assign (segid "   A" and resid   33 and name  HE3) (segid "   A" and resid   33 and name  HH2) 2.401 2.401 3.599 weight 1.000 ! spec=Noesy, no=171, id=170, vol=4.144556e+06
assign (segid "   A" and resid   33 and name  HZ2) (segid "   A" and resid   33 and name  HH2) 2.165 0.586 0.586 weight 1.000 ! spec=Noesy, no=172, id=171, vol=8.675758e+06
assign (segid "   A" and resid   20 and name  HZ2) (segid "   A" and resid   20 and name  HH2) 2.257 0.637 0.637 weight 1.000 ! spec=Noesy, no=173, id=172, vol=8.015412e+06
assign (segid "   A" and resid   33 and name  HE3) (segid "   A" and resid   33 and name  HZ3) 2.284 0.652 0.652 weight 1.000 ! spec=Noesy, no=174, id=173, vol=5.856082e+06
assign (segid "   A" and resid   17 and name HD22) (segid "   A" and resid   17 and name HD21) 1.593 0.317 0.317 weight 1.000 ! spec=Noesy, no=175, id=174, vol=5.790255e+07
assign (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   16 and name HD21) 1.549 0.300 0.300 weight 1.000 ! spec=Noesy, no=176, id=175, vol=6.673233e+07
assign (segid "   A" and resid    3 and name HE22) (segid "   A" and resid    3 and name HE21) 1.588 0.315 0.315 weight 1.000 ! spec=Noesy, no=177, id=176, vol=5.777241e+07
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   36 and name   HN) 2.383 0.710 0.710 weight 1.000 ! spec=Noesy, no=178, id=177, vol=6.086892e+06
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   33 and name  HE3) 2.575 0.829 0.829 weight 1.000 ! spec=Noesy, no=179, id=178, vol=3.159654e+06
assign (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    2 and name  HE1) 1.924 0.463 0.463 weight 1.000 ! spec=Noesy, no=180, id=179, vol=1.702863e+07
    or (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    2 and name  HE2)
    or (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HE1)
    or (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HE2)
assign (segid "   A" and resid   33 and name  HH2) (segid "   A" and resid   33 and name  HZ3) 2.140 0.572 0.572 weight 1.000 ! spec=Noesy, no=181, id=180, vol=9.529536e+06
assign (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   26 and name  HD2) 1.654 1.654 4.346 weight 1.000 ! spec=Noesy, no=182, id=181, vol=5.008176e+07
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   26 and name  HD1)
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   26 and name  HD2)
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   26 and name  HD1)
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   42 and name  HD1) 1.634 1.634 4.366 weight 1.000 ! spec=Noesy, no=183, id=182, vol=4.586507e+07
    or (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   42 and name  HD2)
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   42 and name  HD1)
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   42 and name  HD2)
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   30 and name  HE2) 1.737 0.377 0.377 weight 1.000 ! spec=Noesy, no=184, id=183, vol=3.244299e+07
    or (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   30 and name  HE1)
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   30 and name  HE2)
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   30 and name  HE1)
assign (segid "   A" and resid   20 and name  HZ3) (segid "   A" and resid   20 and name  HH2) 2.102 0.552 0.552 weight 1.000 ! spec=Noesy, no=185, id=184, vol=1.166995e+07
assign (segid "   A" and resid   20 and name  HE3) (segid "   A" and resid   20 and name  HZ3) 1.827 1.827 4.173 weight 1.000 ! spec=Noesy, no=186, id=185, vol=2.135796e+07
assign (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid   34 and name  HD1) 1.492 1.492 4.508 weight 1.000 ! spec=Noesy, no=187, id=186, vol=8.599955e+07
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid   34 and name  HD2)
    or (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid   34 and name  HD1)
    or (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid   34 and name  HD2)
assign (segid "   A" and resid   40 and name  HA2) (segid "   A" and resid   40 and name  HA1) 2.268 0.643 0.643 weight 1.000 ! spec=Noesy, no=188, id=187, vol=1.174247e+07
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name  HB1) 2.245 0.630 0.630 weight 1.000 ! spec=Noesy, no=189, id=188, vol=8.438208e+06
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   33 and name  HB1) 2.737 0.936 0.936 weight 1.000 ! spec=Noesy, no=190, id=189, vol=3.859603e+06
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    9 and name  HB2) 2.495 0.778 0.778 weight 1.000 ! spec=Noesy, no=191, id=190, vol=4.357938e+06
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name  HB2) 2.260 0.638 0.638 weight 1.000 ! spec=Noesy, no=194, id=193, vol=8.404429e+06
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   43 and name  HD2) 2.560 0.819 0.819 weight 1.000 ! spec=Noesy, no=195, id=194, vol=3.847425e+06
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   33 and name  HB2) 2.345 0.688 0.688 weight 1.000 ! spec=Noesy, no=196, id=195, vol=6.549656e+06
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name  HB1) 2.127 0.565 0.565 weight 1.000 ! spec=Noesy, no=197, id=196, vol=1.088171e+07
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HB1) 2.297 0.660 0.660 weight 1.000 ! spec=Noesy, no=198, id=197, vol=7.095283e+06
assign (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name   HB) 2.143 0.574 0.574 weight 1.000 ! spec=Noesy, no=199, id=198, vol=1.068163e+07
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name  HB1) 2.283 0.651 0.651 weight 1.000 ! spec=Noesy, no=200, id=199, vol=7.241664e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    3 and name  HB1) 2.181 2.181 3.819 weight 1.000 ! spec=Noesy, no=201, id=200, vol=8.054234e+06
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB2) 2.475 0.766 0.766 weight 1.000 ! spec=Noesy, no=202, id=201, vol=4.037571e+06
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB2) 2.106 0.554 0.554 weight 1.000 ! spec=Noesy, no=203, id=202, vol=1.045909e+07
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name  HB3) 2.431 0.739 0.739 weight 1.000 ! spec=Noesy, no=205, id=204, vol=5.736078e+06
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HG23) 2.414 0.728 0.728 weight 1.000 ! spec=Noesy, no=206, id=205, vol=5.351040e+06
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HG21)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HG22)
assign (segid "   A" and resid   24 and name   HB) (segid "   A" and resid   24 and name HG23) 2.446 0.748 0.748 weight 1.000 ! spec=Noesy, no=207, id=206, vol=5.051618e+06
    or (segid "   A" and resid   24 and name   HB) (segid "   A" and resid   24 and name HG21)
    or (segid "   A" and resid   24 and name   HB) (segid "   A" and resid   24 and name HG22)
assign (segid "   A" and resid   41 and name   HA) (segid "   A" and resid   40 and name  HA2) 2.448 2.448 3.552 weight 1.000 ! spec=Noesy, no=208, id=207, vol=5.260466e+06
assign (segid "   A" and resid   47 and name  HD2) (segid "   A" and resid   47 and name  HD1) 2.008 0.504 0.504 weight 1.000 ! spec=Noesy, no=209, id=208, vol=1.720715e+07
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name   HB) 2.289 0.655 0.655 weight 1.000 ! spec=Noesy, no=211, id=210, vol=6.961075e+06
assign (segid "   A" and resid   18 and name  HD2) (segid "   A" and resid   18 and name  HD1) 1.824 0.416 0.416 weight 1.000 ! spec=Noesy, no=212, id=211, vol=2.865756e+07
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid    9 and name  HB1) 1.789 0.400 0.400 weight 1.000 ! spec=Noesy, no=213, id=212, vol=3.183382e+07
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name  HB2) 1.927 0.464 0.464 weight 1.000 ! spec=Noesy, no=214, id=213, vol=1.874366e+07
assign (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   23 and name  HD2) 2.071 0.536 0.536 weight 1.000 ! spec=Noesy, no=215, id=214, vol=1.431666e+07
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name  HB1) 2.025 0.512 0.512 weight 1.000 ! spec=Noesy, no=216, id=215, vol=1.628112e+07
assign (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   46 and name  HD1) 2.232 0.622 0.622 weight 1.000 ! spec=Noesy, no=220, id=219, vol=9.137284e+06
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   30 and name  HB1) 2.085 0.543 0.543 weight 1.000 ! spec=Noesy, no=221, id=220, vol=1.578286e+07
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HB1) 1.773 0.393 0.393 weight 1.000 ! spec=Noesy, no=222, id=221, vol=3.189731e+07
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   20 and name  HB1) 2.024 0.512 0.512 weight 1.000 ! spec=Noesy, no=223, id=222, vol=1.828049e+07
assign (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   22 and name  HB1) 2.577 0.830 0.830 weight 1.000 ! spec=Noesy, no=226, id=225, vol=4.030791e+06
assign (segid "   A" and resid   37 and name  HB2) (segid "   A" and resid   38 and name HG23) 3.298 1.359 1.359 weight 1.000 ! spec=Noesy, no=228, id=227, vol=1.857015e+06
    or (segid "   A" and resid   37 and name  HB2) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   37 and name  HB2) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   38 and name   HB) (segid "   A" and resid   38 and name HG13) 2.327 0.677 0.677 weight 1.000 ! spec=Noesy, no=229, id=228, vol=7.543113e+06
    or (segid "   A" and resid   38 and name   HB) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   38 and name   HB) (segid "   A" and resid   38 and name HG11)
assign (segid "   A" and resid   46 and name  HB2) (segid "   A" and resid   46 and name  HB1) 2.304 0.664 0.664 weight 1.000 ! spec=Noesy, no=230, id=229, vol=7.660636e+06
assign (segid "   A" and resid   18 and name  HD1) (segid "   A" and resid   18 and name  HG1) 2.625 0.861 0.861 weight 1.000 ! spec=Noesy, no=231, id=230, vol=3.568400e+06
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HB2) 2.518 0.793 0.793 weight 1.000 ! spec=Noesy, no=234, id=233, vol=4.882945e+06
assign (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   22 and name  HB2) 2.542 0.807 0.807 weight 1.000 ! spec=Noesy, no=235, id=234, vol=4.140512e+06
assign (segid "   A" and resid   47 and name  HB2) (segid "   A" and resid   47 and name  HB1) 2.094 0.548 0.548 weight 1.000 ! spec=Noesy, no=237, id=236, vol=1.357472e+07
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   32 and name  HB1) 2.209 0.610 0.610 weight 1.000 ! spec=Noesy, no=238, id=237, vol=8.884816e+06
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   18 and name  HG1) 2.618 0.857 0.857 weight 1.000 ! spec=Noesy, no=239, id=238, vol=3.137590e+06
assign (segid "   A" and resid   23 and name  HG1) (segid "   A" and resid   23 and name  HG2) 2.305 0.664 0.664 weight 1.000 ! spec=Noesy, no=240, id=239, vol=7.635676e+06
assign (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   18 and name  HB2) 2.114 0.559 0.559 weight 1.000 ! spec=Noesy, no=241, id=240, vol=1.286794e+07
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   31 and name HG22) 2.745 0.942 0.942 weight 1.000 ! spec=Noesy, no=243, id=242, vol=2.064022e+06
    or (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HG22) 2.541 0.807 0.807 weight 1.000 ! spec=Noesy, no=244, id=243, vol=4.055706e+06
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   31 and name HG22) 2.752 0.947 0.947 weight 1.000 ! spec=Noesy, no=245, id=244, vol=2.393189e+06
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HG22) 2.931 1.074 1.074 weight 1.000 ! spec=Noesy, no=246, id=245, vol=1.680906e+06
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   31 and name HG22) 2.885 1.041 1.041 weight 1.000 ! spec=Noesy, no=247, id=246, vol=1.598584e+06
    or (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   33 and name  HZ2) (segid "   A" and resid   31 and name HG22) 2.817 0.992 0.992 weight 1.000 ! spec=Noesy, no=248, id=247, vol=1.988824e+06
    or (segid "   A" and resid   33 and name  HZ2) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   33 and name  HZ2) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   31 and name HG22) 2.660 2.660 3.340 weight 1.000 ! spec=Noesy, no=249, id=248, vol=2.752846e+06
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   33 and name  HD1) (segid "   A" and resid   31 and name HG22) 2.723 0.927 0.927 weight 1.000 ! spec=Noesy, no=250, id=249, vol=2.038303e+06
    or (segid "   A" and resid   33 and name  HD1) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   33 and name  HD1) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   31 and name HG22) 2.696 0.909 0.909 weight 1.000 ! spec=Noesy, no=251, id=250, vol=2.554038e+06
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HG22) 2.307 0.665 0.665 weight 1.000 ! spec=Noesy, no=252, id=251, vol=7.180799e+06
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   31 and name HG22) 2.882 1.038 1.038 weight 1.000 ! spec=Noesy, no=253, id=252, vol=2.272706e+06
    or (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   31 and name HG22) 2.237 0.626 0.626 weight 1.000 ! spec=Noesy, no=254, id=253, vol=9.006444e+06
    or (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   43 and name  HD1) (segid "   A" and resid   31 and name HG22) 2.596 0.842 0.842 weight 1.000 ! spec=Noesy, no=255, id=254, vol=3.578538e+06
    or (segid "   A" and resid   43 and name  HD1) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   43 and name  HD1) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   43 and name  HG1) (segid "   A" and resid   31 and name HG22) 3.011 1.133 1.133 weight 1.000 ! spec=Noesy, no=256, id=255, vol=1.502744e+06
    or (segid "   A" and resid   43 and name  HG1) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   43 and name  HG1) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   43 and name  HB2) (segid "   A" and resid   31 and name HG22) 2.356 0.694 0.694 weight 1.000 ! spec=Noesy, no=257, id=256, vol=6.272910e+06
    or (segid "   A" and resid   43 and name  HB2) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   43 and name  HB2) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   32 and name  HB2) 3.113 1.212 1.212 weight 1.000 ! spec=Noesy, no=258, id=257, vol=1.291984e+06
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   32 and name  HB2)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HD2) 2.962 1.097 1.097 weight 1.000 ! spec=Noesy, no=259, id=258, vol=1.688587e+06
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   23 and name  HD2) 2.634 0.867 0.867 weight 1.000 ! spec=Noesy, no=262, id=261, vol=3.163564e+06
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   23 and name  HD2)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB1) 2.700 0.911 0.911 weight 1.000 ! spec=Noesy, no=263, id=262, vol=2.809192e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name   HB) 2.902 1.053 1.053 weight 1.000 ! spec=Noesy, no=264, id=263, vol=1.885129e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HB1) 2.932 1.074 1.074 weight 1.000 ! spec=Noesy, no=266, id=265, vol=1.833428e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB1) 2.745 0.942 0.942 weight 1.000 ! spec=Noesy, no=267, id=266, vol=2.638486e+06
assign (segid "   A" and resid   46 and name   HE) (segid "   A" and resid   18 and name  HB1) 3.254 1.324 1.324 weight 1.000 ! spec=Noesy, no=268, id=267, vol=1.229518e+06
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   47 and name  HB1) 3.022 1.142 1.142 weight 1.000 ! spec=Noesy, no=269, id=268, vol=1.428284e+06
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   23 and name  HB1) 2.753 0.947 0.947 weight 1.000 ! spec=Noesy, no=270, id=269, vol=2.426222e+06
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   23 and name  HB1)
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   23 and name  HB1) 2.982 1.112 1.112 weight 1.000 ! spec=Noesy, no=271, id=270, vol=1.484988e+06
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   23 and name  HB1)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HG2) 2.937 1.078 1.078 weight 1.000 ! spec=Noesy, no=272, id=271, vol=1.696875e+06
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   32 and name  HB1) 2.746 0.943 0.943 weight 1.000 ! spec=Noesy, no=273, id=272, vol=2.748028e+06
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   32 and name  HB1)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB2) 3.036 1.152 1.152 weight 1.000 ! spec=Noesy, no=274, id=273, vol=1.421098e+06
assign (segid "   A" and resid   18 and name   HE) (segid "   A" and resid   18 and name  HB2) 2.768 0.958 0.958 weight 1.000 ! spec=Noesy, no=275, id=274, vol=2.276822e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB2) 3.044 1.158 1.158 weight 1.000 ! spec=Noesy, no=276, id=275, vol=1.300458e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB2) 2.733 0.933 0.933 weight 1.000 ! spec=Noesy, no=277, id=276, vol=2.620455e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB2) 2.921 1.067 1.067 weight 1.000 ! spec=Noesy, no=278, id=277, vol=1.787994e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HG2) 2.662 0.886 0.886 weight 1.000 ! spec=Noesy, no=279, id=278, vol=3.137108e+06
assign (segid "   A" and resid   18 and name   HE) (segid "   A" and resid   18 and name  HG2) 2.753 0.947 0.947 weight 1.000 ! spec=Noesy, no=280, id=279, vol=2.329516e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HB2) 2.692 0.906 0.906 weight 1.000 ! spec=Noesy, no=281, id=280, vol=2.894874e+06
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   29 and name  HG1) 3.096 1.198 1.198 weight 1.000 ! spec=Noesy, no=282, id=281, vol=1.247320e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB1) 2.907 1.056 1.056 weight 1.000 ! spec=Noesy, no=283, id=282, vol=2.044346e+06
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name  HB2) 2.713 0.920 0.920 weight 1.000 ! spec=Noesy, no=284, id=283, vol=2.616538e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HG1) 2.859 1.022 1.022 weight 1.000 ! spec=Noesy, no=285, id=284, vol=2.049285e+06
assign (segid "   A" and resid   18 and name   HE) (segid "   A" and resid   18 and name  HG1) 3.055 1.167 1.167 weight 1.000 ! spec=Noesy, no=286, id=285, vol=1.305568e+06
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HB2) 3.010 1.133 1.133 weight 1.000 ! spec=Noesy, no=287, id=286, vol=1.561816e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB2) 2.740 0.939 0.939 weight 1.000 ! spec=Noesy, no=288, id=287, vol=2.552636e+06
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   46 and name  HB2) 2.846 1.013 1.013 weight 1.000 ! spec=Noesy, no=289, id=288, vol=2.233733e+06
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   46 and name  HB2)
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name  HB2) 2.659 2.659 3.341 weight 1.000 ! spec=Noesy, no=290, id=289, vol=2.997818e+06
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   23 and name  HG2) 2.862 1.024 1.024 weight 1.000 ! spec=Noesy, no=292, id=291, vol=1.949713e+06
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   23 and name  HG2)
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   29 and name  HB2) 3.120 1.217 1.217 weight 1.000 ! spec=Noesy, no=293, id=292, vol=1.192540e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   29 and name  HB2) 2.939 1.080 1.080 weight 1.000 ! spec=Noesy, no=294, id=293, vol=1.678146e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HB2) 2.966 1.100 1.100 weight 1.000 ! spec=Noesy, no=295, id=294, vol=1.578819e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name  HG1) 2.990 1.118 1.118 weight 1.000 ! spec=Noesy, no=296, id=295, vol=1.528966e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name HG12) 3.012 1.134 1.134 weight 1.000 ! spec=Noesy, no=297, id=296, vol=1.427588e+06
assign (segid "   A" and resid   43 and name   HE) (segid "   A" and resid   43 and name  HG1) 2.991 1.118 1.118 weight 1.000 ! spec=Noesy, no=298, id=297, vol=1.520246e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   22 and name  HB2) 2.752 0.947 0.947 weight 1.000 ! spec=Noesy, no=299, id=298, vol=2.596014e+06
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   10 and name  HB2) 2.857 1.021 1.021 weight 1.000 ! spec=Noesy, no=301, id=300, vol=1.880566e+06
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   10 and name  HB2) 2.825 0.998 0.998 weight 1.000 ! spec=Noesy, no=302, id=301, vol=2.186767e+06
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid   46 and name   HE) (segid "   A" and resid   46 and name  HG1) 3.012 1.134 1.134 weight 1.000 ! spec=Noesy, no=303, id=302, vol=1.423390e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HB3) 2.975 1.106 1.106 weight 1.000 ! spec=Noesy, no=304, id=303, vol=1.536407e+06
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   15 and name  HB3) 2.772 0.961 0.961 weight 1.000 ! spec=Noesy, no=305, id=304, vol=2.466313e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   18 and name   HE) (segid "   A" and resid   15 and name  HB3) 3.011 1.133 1.133 weight 1.000 ! spec=Noesy, no=306, id=305, vol=1.400011e+06
    or (segid "   A" and resid   18 and name   HE) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   18 and name   HE) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   35 and name HD22) (segid "   A" and resid   15 and name  HB3) 2.702 0.912 0.912 weight 1.000 ! spec=Noesy, no=307, id=306, vol=2.543783e+06
    or (segid "   A" and resid   35 and name HD22) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   35 and name HD22) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB1) 2.714 0.921 0.921 weight 1.000 ! spec=Noesy, no=308, id=307, vol=2.961018e+06
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   22 and name  HB1) 2.999 1.124 1.124 weight 1.000 ! spec=Noesy, no=309, id=308, vol=1.533061e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   22 and name  HB1) 2.868 1.028 1.028 weight 1.000 ! spec=Noesy, no=310, id=309, vol=2.036450e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name HG11) 2.926 1.070 1.070 weight 1.000 ! spec=Noesy, no=311, id=310, vol=1.751252e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HG23) 2.994 1.120 1.120 weight 1.000 ! spec=Noesy, no=312, id=311, vol=1.534373e+06
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HG21)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HG22)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   38 and name HG23) 2.877 1.035 1.035 weight 1.000 ! spec=Noesy, no=313, id=312, vol=1.905626e+06
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name HG23) 2.749 0.945 0.945 weight 1.000 ! spec=Noesy, no=314, id=313, vol=2.573132e+06
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name HG23) 2.896 1.049 1.049 weight 1.000 ! spec=Noesy, no=315, id=314, vol=1.745809e+06
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name HG21)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name HG22)
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HB1) 2.631 0.865 0.865 weight 1.000 ! spec=Noesy, no=316, id=315, vol=3.324707e+06
assign (segid "   A" and resid   46 and name   HE) (segid "   A" and resid   46 and name  HB1) 2.917 1.063 1.063 weight 1.000 ! spec=Noesy, no=317, id=316, vol=1.726278e+06
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   46 and name  HB1) 3.102 1.203 1.203 weight 1.000 ! spec=Noesy, no=318, id=317, vol=1.150101e+06
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   46 and name  HB1)
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   46 and name  HB1) 2.758 0.951 0.951 weight 1.000 ! spec=Noesy, no=319, id=318, vol=2.691541e+06
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   46 and name  HB1)
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   47 and name   HA) 2.536 0.804 0.804 weight 1.000 ! spec=Noesy, no=320, id=319, vol=3.833106e+06
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   44 and name   HA) 2.691 0.905 0.905 weight 1.000 ! spec=Noesy, no=321, id=320, vol=3.126909e+06
assign (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   33 and name   HA) 2.968 1.101 1.101 weight 1.000 ! spec=Noesy, no=322, id=321, vol=1.444819e+06
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   35 and name  HB2) 2.816 0.991 0.991 weight 1.000 ! spec=Noesy, no=323, id=322, vol=2.146826e+06
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   42 and name  HB2) 2.863 1.024 1.024 weight 1.000 ! spec=Noesy, no=324, id=323, vol=2.035913e+06
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name  HB2) 2.755 0.949 0.949 weight 1.000 ! spec=Noesy, no=325, id=324, vol=2.592229e+06
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   35 and name  HB1) 3.113 1.211 1.211 weight 1.000 ! spec=Noesy, no=326, id=325, vol=1.191984e+06
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HB1) 3.018 1.138 1.138 weight 1.000 ! spec=Noesy, no=327, id=326, vol=1.394294e+06
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HG2) 2.951 1.089 1.089 weight 1.000 ! spec=Noesy, no=328, id=327, vol=1.597099e+06
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HG1) 2.706 0.916 0.916 weight 1.000 ! spec=Noesy, no=329, id=328, vol=2.669396e+06
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HB2) 2.730 0.932 0.932 weight 1.000 ! spec=Noesy, no=330, id=329, vol=2.530318e+06
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   21 and name   HA) 2.763 0.954 0.954 weight 1.000 ! spec=Noesy, no=332, id=331, vol=2.420639e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name   HA) 2.859 1.021 1.021 weight 1.000 ! spec=Noesy, no=333, id=332, vol=1.887917e+06
assign (segid "   A" and resid   33 and name  HE3) (segid "   A" and resid   36 and name HD21) 2.665 2.665 3.335 weight 1.000 ! spec=Noesy, no=334, id=333, vol=3.241556e+06
assign (segid "   A" and resid   33 and name  HZ3) (segid "   A" and resid   36 and name HD21) 3.092 1.195 1.195 weight 1.000 ! spec=Noesy, no=335, id=334, vol=1.192288e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name   HA) 2.836 1.005 1.005 weight 1.000 ! spec=Noesy, no=336, id=335, vol=2.018795e+06
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   29 and name   HA) 3.032 1.149 1.149 weight 1.000 ! spec=Noesy, no=337, id=336, vol=1.384810e+06
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   29 and name   HA)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name   HA) 2.728 0.930 0.930 weight 1.000 ! spec=Noesy, no=338, id=337, vol=2.452168e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   35 and name   HA) 2.798 0.979 0.979 weight 1.000 ! spec=Noesy, no=339, id=338, vol=2.145804e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   45 and name   HA) 3.046 1.159 1.159 weight 1.000 ! spec=Noesy, no=340, id=339, vol=1.374330e+06
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name   HA) 2.751 0.946 0.946 weight 1.000 ! spec=Noesy, no=341, id=340, vol=2.552225e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name   HA) 2.771 0.960 0.960 weight 1.000 ! spec=Noesy, no=342, id=341, vol=2.209048e+06
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   30 and name   HA) 2.670 2.670 3.330 weight 1.000 ! spec=Noesy, no=343, id=342, vol=2.897066e+06
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   30 and name   HA)
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name   HA) 2.926 1.070 1.070 weight 1.000 ! spec=Noesy, no=344, id=343, vol=1.717776e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name   HA) 2.803 0.982 0.982 weight 1.000 ! spec=Noesy, no=346, id=345, vol=2.419004e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name   HA) 2.715 0.921 0.921 weight 1.000 ! spec=Noesy, no=347, id=346, vol=2.646094e+06
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   32 and name   HA) 2.827 0.999 0.999 weight 1.000 ! spec=Noesy, no=348, id=347, vol=2.033706e+06
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   32 and name   HA)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name   HA) 2.979 1.109 1.109 weight 1.000 ! spec=Noesy, no=349, id=348, vol=1.504366e+06
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   25 and name   HA) 3.104 1.205 1.205 weight 1.000 ! spec=Noesy, no=350, id=349, vol=1.240938e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name   HA) 2.816 0.991 0.991 weight 1.000 ! spec=Noesy, no=351, id=350, vol=2.105900e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name   HA) 2.928 1.072 1.072 weight 1.000 ! spec=Noesy, no=352, id=351, vol=1.719712e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HA) 2.669 0.890 0.890 weight 1.000 ! spec=Noesy, no=353, id=352, vol=3.125142e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name   HA) 2.675 0.894 0.894 weight 1.000 ! spec=Noesy, no=354, id=353, vol=2.896543e+06
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   22 and name   HA) 2.967 1.100 1.100 weight 1.000 ! spec=Noesy, no=355, id=354, vol=1.436654e+06
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   22 and name   HA) 2.868 1.028 1.028 weight 1.000 ! spec=Noesy, no=356, id=355, vol=1.936896e+06
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name   HA) 2.841 1.009 1.009 weight 1.000 ! spec=Noesy, no=357, id=356, vol=2.170933e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   20 and name   HA) 2.680 0.898 0.898 weight 1.000 ! spec=Noesy, no=358, id=357, vol=2.796588e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name   HA) 2.761 0.953 0.953 weight 1.000 ! spec=Noesy, no=359, id=358, vol=2.330824e+06
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name   HA) 2.891 1.045 1.045 weight 1.000 ! spec=Noesy, no=360, id=359, vol=1.894807e+06
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   11 and name   HA) 2.706 0.915 0.915 weight 1.000 ! spec=Noesy, no=361, id=360, vol=2.737991e+06
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   11 and name   HA)
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   11 and name   HA) 2.885 1.040 1.040 weight 1.000 ! spec=Noesy, no=362, id=361, vol=1.627218e+06
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   41 and name   HA) 2.669 0.891 0.891 weight 1.000 ! spec=Noesy, no=363, id=362, vol=2.954733e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name   HA) 2.704 0.914 0.914 weight 1.000 ! spec=Noesy, no=364, id=363, vol=2.853342e+06
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   11 and name   HA) 2.703 0.913 0.913 weight 1.000 ! spec=Noesy, no=365, id=364, vol=2.631289e+06
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   11 and name   HA)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name   HA) 2.963 1.097 1.097 weight 1.000 ! spec=Noesy, no=366, id=365, vol=1.656328e+06
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   11 and name  HB1) 2.864 1.026 1.026 weight 1.000 ! spec=Noesy, no=367, id=366, vol=1.935955e+06
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   11 and name  HB1)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name   HA) 2.724 0.927 0.927 weight 1.000 ! spec=Noesy, no=368, id=367, vol=2.878583e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   38 and name   HA) 2.994 1.120 1.120 weight 1.000 ! spec=Noesy, no=369, id=368, vol=1.448607e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name   HA) 2.664 0.887 0.887 weight 1.000 ! spec=Noesy, no=370, id=369, vol=3.025036e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   36 and name   HA) 2.653 0.880 0.880 weight 1.000 ! spec=Noesy, no=371, id=370, vol=2.947582e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name   HA) 2.969 1.102 1.102 weight 1.000 ! spec=Noesy, no=372, id=371, vol=1.291535e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name   HA) 2.843 1.011 1.011 weight 1.000 ! spec=Noesy, no=373, id=372, vol=2.000434e+06
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   48 and name  HA1) 2.751 0.946 0.946 weight 1.000 ! spec=Noesy, no=374, id=373, vol=2.430653e+06
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   48 and name  HA1)
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   48 and name  HA1) 2.944 1.083 1.083 weight 1.000 ! spec=Noesy, no=375, id=374, vol=1.569919e+06
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   48 and name  HA1)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   13 and name   HA) 2.745 0.942 0.942 weight 1.000 ! spec=Noesy, no=376, id=375, vol=2.427964e+06
assign (segid "   A" and resid   20 and name  HZ3) (segid "   A" and resid   13 and name   HA) 2.764 0.955 0.955 weight 1.000 ! spec=Noesy, no=377, id=376, vol=2.346606e+06
assign (segid "   A" and resid   20 and name  HH2) (segid "   A" and resid   12 and name   HA) 2.894 1.047 1.047 weight 1.000 ! spec=Noesy, no=378, id=377, vol=1.816090e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name   HA) 2.926 1.070 1.070 weight 1.000 ! spec=Noesy, no=379, id=378, vol=1.707280e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name   HA) 2.830 1.001 1.001 weight 1.000 ! spec=Noesy, no=380, id=379, vol=2.002781e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name   HA) 2.852 1.016 1.016 weight 1.000 ! spec=Noesy, no=381, id=380, vol=2.187838e+06
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   33 and name   HA) 2.836 1.005 1.005 weight 1.000 ! spec=Noesy, no=382, id=381, vol=1.808621e+06
assign (segid "   A" and resid   33 and name  HD1) (segid "   A" and resid   33 and name   HA) 3.008 1.131 1.131 weight 1.000 ! spec=Noesy, no=383, id=382, vol=1.111220e+06
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   48 and name  HA2) 2.720 0.925 0.925 weight 1.000 ! spec=Noesy, no=384, id=383, vol=2.589516e+06
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   48 and name  HA2)
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   48 and name  HA2) 2.918 2.918 3.082 weight 1.000 ! spec=Noesy, no=385, id=384, vol=1.630536e+06
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   48 and name  HA2)
assign (segid "   A" and resid   20 and name  HZ2) (segid "   A" and resid   13 and name  HB1) 2.921 2.921 3.079 weight 1.000 ! spec=Noesy, no=386, id=385, vol=1.881800e+06
assign (segid "   A" and resid   20 and name  HH2) (segid "   A" and resid   13 and name  HB1) 2.718 2.718 3.282 weight 1.000 ! spec=Noesy, no=387, id=386, vol=2.748002e+06
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name   HA) 2.827 0.999 0.999 weight 1.000 ! spec=Noesy, no=388, id=387, vol=1.638041e+06
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   11 and name  HB2) 2.849 1.014 1.014 weight 1.000 ! spec=Noesy, no=389, id=388, vol=1.817792e+06
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   11 and name  HB2)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   40 and name  HA2) 2.799 0.980 0.980 weight 1.000 ! spec=Noesy, no=390, id=389, vol=2.399368e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HB1) 3.004 1.128 1.128 weight 1.000 ! spec=Noesy, no=391, id=390, vol=1.474182e+06
assign (segid "   A" and resid   35 and name HD22) (segid "   A" and resid   15 and name   HA) 3.005 1.129 1.129 weight 1.000 ! spec=Noesy, no=392, id=391, vol=1.342848e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB2) 2.721 0.926 0.926 weight 1.000 ! spec=Noesy, no=393, id=392, vol=2.690663e+06
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   23 and name   HA) 2.737 0.937 0.937 weight 1.000 ! spec=Noesy, no=394, id=393, vol=2.254463e+06
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   23 and name   HA)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name   HB) 2.727 2.727 3.273 weight 1.000 ! spec=Noesy, no=395, id=394, vol=2.454661e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HB1) 2.696 0.908 0.908 weight 1.000 ! spec=Noesy, no=397, id=396, vol=2.815349e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB1) 3.122 1.219 1.219 weight 1.000 ! spec=Noesy, no=398, id=397, vol=1.178234e+06
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   31 and name   HB) 2.610 0.851 0.851 weight 1.000 ! spec=Noesy, no=399, id=398, vol=2.825522e+06
assign (segid "   A" and resid   33 and name  HD1) (segid "   A" and resid   31 and name   HB) 3.054 1.166 1.166 weight 1.000 ! spec=Noesy, no=400, id=399, vol=1.026814e+06
assign (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   26 and name  HB2) 2.693 0.906 0.906 weight 1.000 ! spec=Noesy, no=401, id=400, vol=3.010964e+06
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   26 and name  HB2)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name  HB1) 3.057 1.168 1.168 weight 1.000 ! spec=Noesy, no=404, id=403, vol=1.302510e+06
assign (segid "   A" and resid   18 and name   HE) (segid "   A" and resid   18 and name  HD2) 2.951 1.089 1.089 weight 1.000 ! spec=Noesy, no=405, id=404, vol=1.599051e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HB2) 3.024 1.143 1.143 weight 1.000 ! spec=Noesy, no=406, id=405, vol=1.415451e+06
assign (segid "   A" and resid    9 and name  HD2) (segid "   A" and resid    9 and name  HB2) 3.058 1.169 1.169 weight 1.000 ! spec=Noesy, no=407, id=406, vol=1.075838e+06
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   42 and name  HB1) 2.882 2.882 3.118 weight 1.000 ! spec=Noesy, no=409, id=408, vol=1.611442e+06
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   42 and name  HB1)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HB2) 3.056 1.168 1.168 weight 1.000 ! spec=Noesy, no=410, id=409, vol=1.351556e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   35 and name  HB2) 2.928 1.071 1.071 weight 1.000 ! spec=Noesy, no=411, id=410, vol=1.721110e+06
assign (segid "   A" and resid   17 and name HD22) (segid "   A" and resid   17 and name  HB2) 3.096 1.198 1.198 weight 1.000 ! spec=Noesy, no=412, id=411, vol=1.115358e+06
assign (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   25 and name  HB1) 2.748 2.748 3.252 weight 1.000 ! spec=Noesy, no=413, id=412, vol=2.365557e+06
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB1) 2.666 0.888 0.888 weight 1.000 ! spec=Noesy, no=414, id=413, vol=2.835821e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HB1) 2.850 1.015 1.015 weight 1.000 ! spec=Noesy, no=415, id=414, vol=2.023426e+06
assign (segid "   A" and resid    9 and name  HD2) (segid "   A" and resid    9 and name  HB1) 3.092 1.195 1.195 weight 1.000 ! spec=Noesy, no=417, id=416, vol=1.001013e+06
assign (segid "   A" and resid   50 and name   HE) (segid "   A" and resid   46 and name  HD2) 2.698 0.910 0.910 weight 1.000 ! spec=Noesy, no=419, id=418, vol=2.463500e+06
assign (segid "   A" and resid   46 and name   HE) (segid "   A" and resid   46 and name  HD2) 2.660 0.884 0.884 weight 1.000 ! spec=Noesy, no=420, id=419, vol=2.958536e+06
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   46 and name  HD2) 3.032 1.149 1.149 weight 1.000 ! spec=Noesy, no=421, id=420, vol=1.427487e+06
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   46 and name  HD2)
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   30 and name  HB2) 2.894 2.894 3.106 weight 1.000 ! spec=Noesy, no=422, id=421, vol=1.565912e+06
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   30 and name  HB2)
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   21 and name  HB1) 2.878 1.035 1.035 weight 1.000 ! spec=Noesy, no=423, id=422, vol=2.005440e+06
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   21 and name  HB1)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB2) 2.933 2.933 3.067 weight 1.000 ! spec=Noesy, no=424, id=423, vol=1.673691e+06
assign (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   16 and name  HB2) 3.063 1.173 1.173 weight 1.000 ! spec=Noesy, no=425, id=424, vol=1.130853e+06
assign (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   12 and name  HB2) 2.676 2.676 3.324 weight 1.000 ! spec=Noesy, no=426, id=425, vol=2.412240e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HB1) 2.874 1.032 1.032 weight 1.000 ! spec=Noesy, no=427, id=426, vol=1.980338e+06
assign (segid "   A" and resid   17 and name HD22) (segid "   A" and resid   17 and name  HB1) 2.651 0.879 0.879 weight 1.000 ! spec=Noesy, no=428, id=427, vol=2.915599e+06
assign (segid "   A" and resid   17 and name HD21) (segid "   A" and resid   17 and name  HB1) 2.969 1.102 1.102 weight 1.000 ! spec=Noesy, no=429, id=428, vol=1.391181e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   42 and name  HB2) 2.741 0.939 0.939 weight 1.000 ! spec=Noesy, no=430, id=429, vol=2.758107e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB2) 2.700 0.911 0.911 weight 1.000 ! spec=Noesy, no=431, id=430, vol=2.832726e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name  HB2) 2.824 0.997 0.997 weight 1.000 ! spec=Noesy, no=432, id=431, vol=2.179129e+06
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name  HB2) 2.692 0.906 0.906 weight 1.000 ! spec=Noesy, no=433, id=432, vol=2.966864e+06
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   20 and name  HB2) 2.656 2.656 3.344 weight 1.000 ! spec=Noesy, no=434, id=433, vol=2.541502e+06
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   42 and name  HB2) 2.852 2.852 3.148 weight 1.000 ! spec=Noesy, no=435, id=434, vol=1.683818e+06
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   42 and name  HB2)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   43 and name  HD2) 2.787 0.971 0.971 weight 1.000 ! spec=Noesy, no=436, id=435, vol=2.169621e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name  HB2) 2.688 0.903 0.903 weight 1.000 ! spec=Noesy, no=437, id=436, vol=2.703580e+06
assign (segid "   A" and resid   33 and name  HE3) (segid "   A" and resid   36 and name  HB1) 2.659 0.884 0.884 weight 1.000 ! spec=Noesy, no=438, id=437, vol=2.896854e+06
assign (segid "   A" and resid   46 and name   HE) (segid "   A" and resid   46 and name  HD1) 2.728 0.931 0.931 weight 1.000 ! spec=Noesy, no=439, id=438, vol=2.526560e+06
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   30 and name  HB1) 2.658 2.658 3.342 weight 1.000 ! spec=Noesy, no=440, id=439, vol=2.802962e+06
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   30 and name  HB1)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB1) 2.967 1.101 1.101 weight 1.000 ! spec=Noesy, no=441, id=440, vol=1.676846e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HB1) 2.698 2.698 3.302 weight 1.000 ! spec=Noesy, no=442, id=441, vol=2.819165e+06
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   21 and name  HB2) 2.973 2.973 3.027 weight 1.000 ! spec=Noesy, no=444, id=443, vol=1.343634e+06
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   21 and name  HB2)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   21 and name  HB2) 3.114 1.212 1.212 weight 1.000 ! spec=Noesy, no=445, id=444, vol=1.218434e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HB2) 2.799 0.980 0.980 weight 1.000 ! spec=Noesy, no=446, id=445, vol=2.262099e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB1) 2.733 0.933 0.933 weight 1.000 ! spec=Noesy, no=447, id=446, vol=2.797594e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name  HB2) 2.960 1.095 1.095 weight 1.000 ! spec=Noesy, no=448, id=447, vol=1.660665e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   14 and name  HB2) 3.096 3.096 2.904 weight 1.000 ! spec=Noesy, no=449, id=448, vol=1.251104e+06
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   45 and name  HB1) 3.112 1.210 1.210 weight 1.000 ! spec=Noesy, no=450, id=449, vol=1.271272e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB1) 2.767 0.957 0.957 weight 1.000 ! spec=Noesy, no=451, id=450, vol=2.362073e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HD1) 2.692 0.906 0.906 weight 1.000 ! spec=Noesy, no=452, id=451, vol=2.912864e+06
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB1) 2.830 1.001 1.001 weight 1.000 ! spec=Noesy, no=453, id=452, vol=2.157826e+06
assign (segid "   A" and resid   47 and name  HD2) (segid "   A" and resid   47 and name  HG2) 2.780 0.966 0.966 weight 1.000 ! spec=Noesy, no=454, id=453, vol=2.413013e+06
assign (segid "   A" and resid   47 and name  HD1) (segid "   A" and resid   47 and name  HG2) 2.668 0.890 0.890 weight 1.000 ! spec=Noesy, no=455, id=454, vol=3.172614e+06
assign (segid "   A" and resid   47 and name  HD2) (segid "   A" and resid   47 and name  HG1) 2.685 0.901 0.901 weight 1.000 ! spec=Noesy, no=456, id=455, vol=3.060367e+06
assign (segid "   A" and resid   47 and name  HD1) (segid "   A" and resid   47 and name  HG1) 2.889 1.043 1.043 weight 1.000 ! spec=Noesy, no=457, id=456, vol=1.899160e+06
assign (segid "   A" and resid   18 and name  HD2) (segid "   A" and resid   18 and name  HB1) 3.082 1.187 1.187 weight 1.000 ! spec=Noesy, no=458, id=457, vol=1.290555e+06
assign (segid "   A" and resid   18 and name  HD1) (segid "   A" and resid   18 and name  HB1) 3.093 1.196 1.196 weight 1.000 ! spec=Noesy, no=459, id=458, vol=1.315939e+06
assign (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   32 and name  HB1) 3.095 1.197 1.197 weight 1.000 ! spec=Noesy, no=460, id=459, vol=1.313850e+06
assign (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   23 and name  HG1) 2.694 0.907 0.907 weight 1.000 ! spec=Noesy, no=461, id=460, vol=2.964245e+06
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name  HB2) 2.931 1.074 1.074 weight 1.000 ! spec=Noesy, no=462, id=461, vol=2.474735e+06
assign (segid "   A" and resid   18 and name  HD2) (segid "   A" and resid   18 and name  HG2) 2.780 0.966 0.966 weight 1.000 ! spec=Noesy, no=463, id=462, vol=2.457212e+06
assign (segid "   A" and resid   18 and name  HD1) (segid "   A" and resid   18 and name  HG2) 2.800 0.980 0.980 weight 1.000 ! spec=Noesy, no=464, id=463, vol=2.358803e+06
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name   HB) 2.784 0.969 0.969 weight 1.000 ! spec=Noesy, no=465, id=464, vol=2.345954e+06
assign (segid "   A" and resid   18 and name  HD2) (segid "   A" and resid   18 and name  HG1) 2.713 0.920 0.920 weight 1.000 ! spec=Noesy, no=467, id=466, vol=2.845614e+06
assign (segid "   A" and resid   47 and name  HD2) (segid "   A" and resid   46 and name  HB2) 3.085 1.190 1.190 weight 1.000 ! spec=Noesy, no=469, id=468, vol=1.341680e+06
assign (segid "   A" and resid   47 and name  HD1) (segid "   A" and resid   46 and name  HB2) 2.891 1.045 1.045 weight 1.000 ! spec=Noesy, no=470, id=469, vol=1.994775e+06
assign (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   50 and name  HB2) 2.734 0.935 0.935 weight 1.000 ! spec=Noesy, no=471, id=470, vol=2.359614e+06
assign (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   23 and name  HG2) 2.825 0.997 0.997 weight 1.000 ! spec=Noesy, no=473, id=472, vol=2.215806e+06
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB2) 3.093 1.196 1.196 weight 1.000 ! spec=Noesy, no=474, id=473, vol=1.277017e+06
assign (segid "   A" and resid   19 and name  HA2) (segid "   A" and resid   46 and name  HG1) 2.979 1.109 1.109 weight 1.000 ! spec=Noesy, no=475, id=474, vol=1.691879e+06
assign (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   46 and name  HG1) 2.829 1.001 1.001 weight 1.000 ! spec=Noesy, no=476, id=475, vol=2.241418e+06
assign (segid "   A" and resid   18 and name  HD1) (segid "   A" and resid   15 and name  HB3) 2.788 0.971 0.971 weight 1.000 ! spec=Noesy, no=477, id=476, vol=2.047577e+06
    or (segid "   A" and resid   18 and name  HD1) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   18 and name  HD1) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   22 and name  HB1) 2.934 1.076 1.076 weight 1.000 ! spec=Noesy, no=478, id=477, vol=1.807896e+06
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name HG11) 3.082 1.187 1.187 weight 1.000 ! spec=Noesy, no=479, id=478, vol=1.249894e+06
assign (segid "   A" and resid   46 and name  HG1) (segid "   A" and resid   46 and name  HB1) 2.923 1.068 1.068 weight 1.000 ! spec=Noesy, no=480, id=479, vol=1.877764e+06
assign (segid "   A" and resid    5 and name   HB) (segid "   A" and resid    5 and name HG23) 2.778 0.965 0.965 weight 1.000 ! spec=Noesy, no=481, id=480, vol=2.483076e+06
    or (segid "   A" and resid    5 and name   HB) (segid "   A" and resid    5 and name HG21)
    or (segid "   A" and resid    5 and name   HB) (segid "   A" and resid    5 and name HG22)
assign (segid "   A" and resid    5 and name HG11) (segid "   A" and resid    5 and name HD13) 2.688 0.903 0.903 weight 1.000 ! spec=Noesy, no=482, id=481, vol=2.976620e+06
    or (segid "   A" and resid    5 and name HG11) (segid "   A" and resid    5 and name HD11)
    or (segid "   A" and resid    5 and name HG11) (segid "   A" and resid    5 and name HD12)
assign (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   46 and name  HB1) 3.084 1.189 1.189 weight 1.000 ! spec=Noesy, no=483, id=482, vol=1.304418e+06
assign (segid "   A" and resid   23 and name  HD2) (segid "   A" and resid   23 and name  HG2) 2.767 0.957 0.957 weight 1.000 ! spec=Noesy, no=485, id=484, vol=2.490927e+06
assign (segid "   A" and resid   45 and name  HB2) (segid "   A" and resid   29 and name  HB2) 3.040 1.155 1.155 weight 1.000 ! spec=Noesy, no=486, id=485, vol=1.341222e+06
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   29 and name  HB2) 3.118 3.118 2.882 weight 1.000 ! spec=Noesy, no=487, id=486, vol=1.174095e+06
assign (segid "   A" and resid   44 and name  HB1) (segid "   A" and resid   46 and name  HG1) 3.404 1.449 1.449 weight 1.000 ! spec=Noesy, no=489, id=488, vol=8.032758e+05
assign (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   15 and name  HB3) 2.688 0.903 0.903 weight 1.000 ! spec=Noesy, no=490, id=489, vol=2.945322e+06
    or (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   45 and name  HB2) (segid "   A" and resid   22 and name  HB1) 3.053 1.165 1.165 weight 1.000 ! spec=Noesy, no=491, id=490, vol=1.573646e+06
assign (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   22 and name  HB1) 2.990 1.117 1.117 weight 1.000 ! spec=Noesy, no=492, id=491, vol=1.521329e+06
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name  HB1) 2.315 0.670 0.670 weight 1.000 ! spec=Noesy, no=493, id=492, vol=8.231151e+06
assign (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   32 and name  HB1) 2.882 1.038 1.038 weight 1.000 ! spec=Noesy, no=494, id=493, vol=1.951017e+06
assign (segid "   A" and resid   47 and name  HB2) (segid "   A" and resid   47 and name  HG2) 2.578 0.831 0.831 weight 1.000 ! spec=Noesy, no=495, id=494, vol=3.790374e+06
assign (segid "   A" and resid   47 and name  HB2) (segid "   A" and resid   47 and name  HG1) 2.933 1.075 1.075 weight 1.000 ! spec=Noesy, no=496, id=495, vol=1.758012e+06
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name  HG1) 2.412 0.727 0.727 weight 1.000 ! spec=Noesy, no=497, id=496, vol=5.368618e+06
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name  HB2) 2.064 0.532 0.532 weight 1.000 ! spec=Noesy, no=498, id=497, vol=1.462589e+07
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HG1) 3.040 1.155 1.155 weight 1.000 ! spec=Noesy, no=499, id=498, vol=1.391436e+06
assign (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   18 and name  HG1) 2.631 0.866 0.866 weight 1.000 ! spec=Noesy, no=500, id=499, vol=3.236046e+06
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name  HG2) 2.553 0.815 0.815 weight 1.000 ! spec=Noesy, no=501, id=500, vol=3.852048e+06
assign (segid "   A" and resid   47 and name  HG2) (segid "   A" and resid   47 and name  HB1) 2.538 0.805 0.805 weight 1.000 ! spec=Noesy, no=502, id=501, vol=3.826025e+06
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HG2) 3.109 1.209 1.209 weight 1.000 ! spec=Noesy, no=503, id=502, vol=1.225720e+06
assign (segid "   A" and resid   23 and name  HD2) (segid "   A" and resid   23 and name  HG1) 2.843 1.010 1.010 weight 1.000 ! spec=Noesy, no=505, id=504, vol=2.198790e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   46 and name   HN) 2.694 0.907 0.907 weight 1.000 ! spec=Noesy, no=506, id=505, vol=2.933846e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   45 and name   HN) 2.805 0.983 0.983 weight 1.000 ! spec=Noesy, no=507, id=506, vol=2.207693e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name   HN) 3.055 1.167 1.167 weight 1.000 ! spec=Noesy, no=508, id=507, vol=1.382457e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   20 and name  HH2) 3.124 1.220 1.220 weight 1.000 ! spec=Noesy, no=510, id=509, vol=1.027419e+06
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   33 and name  HZ3) 2.980 1.110 1.110 weight 1.000 ! spec=Noesy, no=511, id=510, vol=1.338345e+06
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   26 and name  HD2) 3.119 1.216 1.216 weight 1.000 ! spec=Noesy, no=512, id=511, vol=1.164519e+06
    or (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   26 and name  HD1)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HD2) 2.769 0.958 0.958 weight 1.000 ! spec=Noesy, no=513, id=512, vol=2.440250e+06
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HD1)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HD2) 2.851 1.016 1.016 weight 1.000 ! spec=Noesy, no=514, id=513, vol=1.985228e+06
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   12 and name   HN) 2.906 1.055 1.055 weight 1.000 ! spec=Noesy, no=515, id=514, vol=1.750139e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name  HD1) 2.912 1.060 1.060 weight 1.000 ! spec=Noesy, no=516, id=515, vol=1.772090e+06
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name  HD2)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name  HD1) 2.856 1.020 1.020 weight 1.000 ! spec=Noesy, no=517, id=516, vol=2.030215e+06
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name  HD2)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   14 and name   HN) 2.788 0.972 0.972 weight 1.000 ! spec=Noesy, no=518, id=517, vol=2.301787e+06
assign (segid "   A" and resid   43 and name   HE) (segid "   A" and resid   42 and name  HE2) 3.115 3.115 2.885 weight 1.000 ! spec=Noesy, no=519, id=518, vol=1.201228e+06
    or (segid "   A" and resid   43 and name   HE) (segid "   A" and resid   42 and name  HE1)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   36 and name HD21) 3.385 1.432 1.432 weight 1.000 ! spec=Noesy, no=520, id=519, vol=6.929602e+05
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   35 and name   HA) 3.387 1.434 1.434 weight 1.000 ! spec=Noesy, no=521, id=520, vol=6.649140e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   46 and name   HA) 3.331 1.387 1.387 weight 1.000 ! spec=Noesy, no=522, id=521, vol=7.983208e+05
assign (segid "   A" and resid   46 and name   HE) (segid "   A" and resid   46 and name   HA) 3.347 1.401 1.401 weight 1.000 ! spec=Noesy, no=523, id=522, vol=7.195142e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   14 and name   HA) 3.182 1.266 1.266 weight 1.000 ! spec=Noesy, no=524, id=523, vol=1.015676e+06
assign (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   28 and name   HA) 3.375 1.424 1.424 weight 1.000 ! spec=Noesy, no=525, id=524, vol=5.947090e+05
assign (segid "   A" and resid   33 and name  HD1) (segid "   A" and resid   32 and name   HA) 3.147 1.238 1.238 weight 1.000 ! spec=Noesy, no=526, id=525, vol=9.176855e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name   HA) 3.244 1.315 1.315 weight 1.000 ! spec=Noesy, no=527, id=526, vol=9.125185e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   47 and name   HA) 3.197 1.277 1.277 weight 1.000 ! spec=Noesy, no=528, id=527, vol=1.037169e+06
assign (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    2 and name   HA) 3.199 1.279 1.279 weight 1.000 ! spec=Noesy, no=529, id=528, vol=1.040834e+06
    or (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name   HA)
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   22 and name   HA) 3.137 1.230 1.230 weight 1.000 ! spec=Noesy, no=530, id=529, vol=9.998440e+05
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   11 and name   HA) 3.352 1.405 1.405 weight 1.000 ! spec=Noesy, no=531, id=530, vol=6.243768e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name   HA) 3.215 1.292 1.292 weight 1.000 ! spec=Noesy, no=532, id=531, vol=8.964315e+05
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   11 and name  HB1) 3.142 1.234 1.234 weight 1.000 ! spec=Noesy, no=533, id=532, vol=9.889732e+05
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   11 and name  HB1) 3.288 1.351 1.351 weight 1.000 ! spec=Noesy, no=534, id=533, vol=7.537722e+05
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   11 and name  HB1)
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   38 and name   HA) 3.282 1.346 1.346 weight 1.000 ! spec=Noesy, no=535, id=534, vol=5.343412e+05
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   12 and name   HA) 3.334 1.390 1.390 weight 1.000 ! spec=Noesy, no=536, id=535, vol=6.759765e+05
assign (segid "   A" and resid   17 and name HD21) (segid "   A" and resid   17 and name   HA) 3.365 1.415 1.415 weight 1.000 ! spec=Noesy, no=538, id=537, vol=6.887262e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   31 and name   HA) 3.211 1.289 1.289 weight 1.000 ! spec=Noesy, no=539, id=538, vol=1.027606e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   27 and name   HA) 3.134 1.228 1.228 weight 1.000 ! spec=Noesy, no=540, id=539, vol=1.098484e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   13 and name  HB2) 3.214 1.291 1.291 weight 1.000 ! spec=Noesy, no=541, id=540, vol=9.780510e+05
assign (segid "   A" and resid   20 and name  HZ3) (segid "   A" and resid   13 and name  HB1) 3.333 1.389 1.389 weight 1.000 ! spec=Noesy, no=542, id=541, vol=8.455660e+05
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   11 and name  HB2) 3.265 1.333 1.333 weight 1.000 ! spec=Noesy, no=543, id=542, vol=7.815282e+05
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   15 and name   HA) 3.172 1.258 1.258 weight 1.000 ! spec=Noesy, no=544, id=543, vol=9.955920e+05
assign (segid "   A" and resid   46 and name   HE) (segid "   A" and resid   47 and name  HD1) 3.219 1.296 1.296 weight 1.000 ! spec=Noesy, no=545, id=544, vol=9.175812e+05
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   23 and name   HA) 3.138 1.231 1.231 weight 1.000 ! spec=Noesy, no=548, id=547, vol=1.183219e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   14 and name  HB1) 3.277 3.277 2.723 weight 1.000 ! spec=Noesy, no=549, id=548, vol=6.993032e+05
assign (segid "   A" and resid   33 and name  HZ2) (segid "   A" and resid   31 and name   HB) 3.274 1.340 1.340 weight 1.000 ! spec=Noesy, no=550, id=549, vol=8.062058e+05
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   23 and name  HD1) 3.191 1.273 1.273 weight 1.000 ! spec=Noesy, no=551, id=550, vol=9.973940e+05
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   23 and name  HD1)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   42 and name  HB1) 3.199 1.280 1.280 weight 1.000 ! spec=Noesy, no=552, id=551, vol=1.093017e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HD1) 3.241 1.313 1.313 weight 1.000 ! spec=Noesy, no=553, id=552, vol=9.848020e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   25 and name  HB1) 3.311 1.370 1.370 weight 1.000 ! spec=Noesy, no=554, id=553, vol=8.326888e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB2) 3.182 1.266 1.266 weight 1.000 ! spec=Noesy, no=555, id=554, vol=1.101981e+06
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   21 and name  HB1) 3.243 1.315 1.315 weight 1.000 ! spec=Noesy, no=556, id=555, vol=8.046132e+05
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   21 and name  HB1)
assign (segid "   A" and resid   18 and name   HE) (segid "   A" and resid   16 and name  HB2) 3.363 1.414 1.414 weight 1.000 ! spec=Noesy, no=557, id=556, vol=6.854932e+05
assign (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   16 and name  HB2) 3.379 1.427 1.427 weight 1.000 ! spec=Noesy, no=558, id=557, vol=6.357782e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HB2) 3.287 1.350 1.350 weight 1.000 ! spec=Noesy, no=560, id=559, vol=8.240632e+05
assign (segid "   A" and resid   33 and name  HZ3) (segid "   A" and resid   36 and name  HB1) 3.389 1.436 1.436 weight 1.000 ! spec=Noesy, no=561, id=560, vol=7.180105e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB2) 3.231 1.305 1.305 weight 1.000 ! spec=Noesy, no=562, id=561, vol=9.435602e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name  HB1) 3.384 1.431 1.431 weight 1.000 ! spec=Noesy, no=563, id=562, vol=7.176922e+05
assign (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   16 and name  HB1) 3.356 1.407 1.407 weight 1.000 ! spec=Noesy, no=564, id=563, vol=6.594678e+05
assign (segid "   A" and resid   18 and name   HE) (segid "   A" and resid   16 and name  HB1) 3.168 1.254 1.254 weight 1.000 ! spec=Noesy, no=565, id=564, vol=1.001976e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name  HB2) 3.336 1.391 1.391 weight 1.000 ! spec=Noesy, no=566, id=565, vol=7.650498e+05
assign (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   26 and name  HB1) 3.276 1.342 1.342 weight 1.000 ! spec=Noesy, no=567, id=566, vol=8.768265e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB1) 3.382 1.429 1.429 weight 1.000 ! spec=Noesy, no=568, id=567, vol=6.920145e+05
assign (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   10 and name  HB1) 3.281 1.346 1.346 weight 1.000 ! spec=Noesy, no=569, id=568, vol=7.277642e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   35 and name  HB1) 3.342 1.396 1.396 weight 1.000 ! spec=Noesy, no=572, id=571, vol=8.029495e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name  HB1) 3.359 1.411 1.411 weight 1.000 ! spec=Noesy, no=573, id=572, vol=6.664025e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB1) 3.315 1.373 1.373 weight 1.000 ! spec=Noesy, no=574, id=573, vol=8.389982e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HB1) 3.220 1.296 1.296 weight 1.000 ! spec=Noesy, no=575, id=574, vol=9.943728e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   29 and name  HG2) 3.163 1.251 1.251 weight 1.000 ! spec=Noesy, no=576, id=575, vol=1.114180e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HB1) 3.304 1.364 1.364 weight 1.000 ! spec=Noesy, no=577, id=576, vol=7.750725e+05
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   32 and name  HB1) 3.213 1.290 1.290 weight 1.000 ! spec=Noesy, no=578, id=577, vol=8.969788e+05
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   32 and name  HB1)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB1) 3.257 1.326 1.326 weight 1.000 ! spec=Noesy, no=579, id=578, vol=8.919440e+05
assign (segid "   A" and resid   46 and name   HE) (segid "   A" and resid   18 and name  HB2) 3.226 1.301 1.301 weight 1.000 ! spec=Noesy, no=580, id=579, vol=9.970972e+05
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   23 and name  HB2) 3.235 1.308 1.308 weight 1.000 ! spec=Noesy, no=581, id=580, vol=9.015630e+05
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   23 and name  HB2)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HG1) 3.312 1.371 1.371 weight 1.000 ! spec=Noesy, no=582, id=581, vol=8.839172e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HG1) 3.276 1.342 1.342 weight 1.000 ! spec=Noesy, no=583, id=582, vol=1.049576e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB1) 3.195 1.276 1.276 weight 1.000 ! spec=Noesy, no=584, id=583, vol=9.821412e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   46 and name  HB2) 3.387 3.387 2.613 weight 1.000 ! spec=Noesy, no=585, id=584, vol=7.510652e+05
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   46 and name  HB2) 3.326 1.383 1.383 weight 1.000 ! spec=Noesy, no=586, id=585, vol=7.715808e+05
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   46 and name  HB2)
assign (segid "   A" and resid   17 and name HD22) (segid "   A" and resid   50 and name  HB2) 3.312 1.371 1.371 weight 1.000 ! spec=Noesy, no=589, id=588, vol=6.858888e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HG1) 3.150 1.241 1.241 weight 1.000 ! spec=Noesy, no=590, id=589, vol=1.161110e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HG2) 3.213 1.291 1.291 weight 1.000 ! spec=Noesy, no=591, id=590, vol=1.032100e+06
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   23 and name  HG2) 3.264 1.332 1.332 weight 1.000 ! spec=Noesy, no=592, id=591, vol=8.218238e+05
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   23 and name  HG2)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HG2) 3.203 1.282 1.282 weight 1.000 ! spec=Noesy, no=593, id=592, vol=1.024812e+06
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   29 and name  HB2) 3.290 1.353 1.353 weight 1.000 ! spec=Noesy, no=594, id=593, vol=9.060258e+05
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   29 and name  HB2)
assign (segid "   A" and resid   17 and name HD22) (segid "   A" and resid   50 and name  HB1) 3.381 1.429 1.429 weight 1.000 ! spec=Noesy, no=595, id=594, vol=6.327465e+05
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   22 and name  HB2) 3.279 1.344 1.344 weight 1.000 ! spec=Noesy, no=596, id=595, vol=7.264360e+05
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   46 and name  HG1) 3.270 1.336 1.336 weight 1.000 ! spec=Noesy, no=597, id=596, vol=9.135338e+05
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   10 and name  HB2) 3.356 1.408 1.408 weight 1.000 ! spec=Noesy, no=599, id=598, vol=7.998430e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB2) 3.333 1.389 1.389 weight 1.000 ! spec=Noesy, no=601, id=600, vol=8.079290e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HG1) 3.147 1.238 1.238 weight 1.000 ! spec=Noesy, no=602, id=601, vol=1.137202e+06
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   46 and name  HG1) 3.277 1.342 1.342 weight 1.000 ! spec=Noesy, no=603, id=602, vol=9.415002e+05
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   46 and name  HG1)
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HG2) 3.285 1.349 1.349 weight 1.000 ! spec=Noesy, no=604, id=603, vol=9.319655e+05
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   22 and name  HB1) 3.383 1.431 1.431 weight 1.000 ! spec=Noesy, no=605, id=604, vol=7.339782e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   38 and name HG23) 3.315 1.373 1.373 weight 1.000 ! spec=Noesy, no=606, id=605, vol=7.586002e+05
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   38 and name HG13) 3.269 1.336 1.336 weight 1.000 ! spec=Noesy, no=607, id=606, vol=7.961390e+05
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   38 and name HG11)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name HG23) 3.142 1.234 1.234 weight 1.000 ! spec=Noesy, no=608, id=607, vol=1.127989e+06
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name HG21)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name HG22)
assign (segid "   A" and resid   33 and name  HH2) (segid "   A" and resid   31 and name HG22) 3.243 1.315 1.315 weight 1.000 ! spec=Noesy, no=609, id=608, vol=9.028225e+05
    or (segid "   A" and resid   33 and name  HH2) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   33 and name  HH2) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   33 and name  HZ3) (segid "   A" and resid   31 and name HG22) 3.245 1.317 1.317 weight 1.000 ! spec=Noesy, no=610, id=609, vol=9.053932e+05
    or (segid "   A" and resid   33 and name  HZ3) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   33 and name  HZ3) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   43 and name   HE) (segid "   A" and resid   31 and name HG22) 3.247 3.247 2.753 weight 1.000 ! spec=Noesy, no=611, id=610, vol=8.583992e+05
    or (segid "   A" and resid   43 and name   HE) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   43 and name   HE) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name   HB) 2.893 1.046 1.046 weight 1.000 ! spec=Noesy, no=613, id=612, vol=1.925389e+06
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid    8 and name  HB1) 3.347 1.400 1.400 weight 1.000 ! spec=Noesy, no=614, id=613, vol=7.481365e+05
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    8 and name  HB1) 3.255 1.324 1.324 weight 1.000 ! spec=Noesy, no=615, id=614, vol=9.425345e+05
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   20 and name  HB1) 3.266 3.266 2.734 weight 1.000 ! spec=Noesy, no=616, id=615, vol=8.435518e+05
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   35 and name  HB2) 3.216 3.216 2.784 weight 1.000 ! spec=Noesy, no=617, id=616, vol=1.033634e+06
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   43 and name  HD2) 3.311 1.370 1.370 weight 1.000 ! spec=Noesy, no=618, id=617, vol=8.456370e+05
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid    8 and name  HB1) 3.141 1.233 1.233 weight 1.000 ! spec=Noesy, no=619, id=618, vol=1.187744e+06
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   14 and name  HB2) 3.361 1.412 1.412 weight 1.000 ! spec=Noesy, no=620, id=619, vol=7.818185e+05
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   32 and name  HB2) 3.343 1.397 1.397 weight 1.000 ! spec=Noesy, no=621, id=620, vol=8.234038e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   25 and name  HB2) 3.284 1.348 1.348 weight 1.000 ! spec=Noesy, no=622, id=621, vol=8.987282e+05
assign (segid "   A" and resid   47 and name  HD2) (segid "   A" and resid   47 and name  HB2) 3.150 1.240 1.240 weight 1.000 ! spec=Noesy, no=623, id=622, vol=1.158651e+06
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name  HD2) 3.300 1.361 1.361 weight 1.000 ! spec=Noesy, no=624, id=623, vol=8.964750e+05
assign (segid "   A" and resid   47 and name  HD2) (segid "   A" and resid   47 and name  HB1) 3.289 1.352 1.352 weight 1.000 ! spec=Noesy, no=625, id=624, vol=8.859670e+05
assign (segid "   A" and resid   18 and name  HD2) (segid "   A" and resid   18 and name  HB2) 3.229 1.303 1.303 weight 1.000 ! spec=Noesy, no=627, id=626, vol=9.506530e+05
assign (segid "   A" and resid   18 and name  HD1) (segid "   A" and resid   18 and name  HB2) 3.175 1.260 1.260 weight 1.000 ! spec=Noesy, no=628, id=627, vol=1.101035e+06
assign (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   23 and name  HB2) 3.328 1.384 1.384 weight 1.000 ! spec=Noesy, no=629, id=628, vol=8.375932e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    4 and name  HB2) 3.264 3.264 2.736 weight 1.000 ! spec=Noesy, no=630, id=629, vol=6.699625e+05
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name  HG2) 3.177 1.262 1.262 weight 1.000 ! spec=Noesy, no=633, id=632, vol=1.147570e+06
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name HG12) 3.322 1.380 1.380 weight 1.000 ! spec=Noesy, no=634, id=633, vol=8.028140e+05
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   43 and name  HB2) 3.339 1.394 1.394 weight 1.000 ! spec=Noesy, no=635, id=634, vol=7.931820e+05
assign (segid "   A" and resid    5 and name   HB) (segid "   A" and resid    5 and name HG12) 3.185 1.268 1.268 weight 1.000 ! spec=Noesy, no=638, id=637, vol=1.038322e+06
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   46 and name  HG1) 3.259 1.328 1.328 weight 1.000 ! spec=Noesy, no=639, id=638, vol=1.004940e+06
assign (segid "   A" and resid   46 and name  HB2) (segid "   A" and resid   46 and name  HG1) 2.826 0.998 0.998 weight 1.000 ! spec=Noesy, no=640, id=639, vol=2.257303e+06
assign (segid "   A" and resid   46 and name  HB2) (segid "   A" and resid   46 and name  HG2) 3.042 1.157 1.157 weight 1.000 ! spec=Noesy, no=641, id=640, vol=1.424357e+06
assign (segid "   A" and resid   35 and name  HB1) (segid "   A" and resid   15 and name  HB3) 2.956 1.092 1.092 weight 1.000 ! spec=Noesy, no=642, id=641, vol=1.496020e+06
    or (segid "   A" and resid   35 and name  HB1) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   35 and name  HB1) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   15 and name  HB3) 3.018 1.139 1.139 weight 1.000 ! spec=Noesy, no=643, id=642, vol=1.449392e+06
    or (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   15 and name  HB3) 2.882 1.038 1.038 weight 1.000 ! spec=Noesy, no=644, id=643, vol=1.921448e+06
    or (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid    5 and name   HB) (segid "   A" and resid    5 and name HG11) 3.250 1.321 1.321 weight 1.000 ! spec=Noesy, no=645, id=644, vol=9.977980e+05
assign (segid "   A" and resid   47 and name  HD1) (segid "   A" and resid   46 and name  HB1) 3.395 1.440 1.440 weight 1.000 ! spec=Noesy, no=646, id=645, vol=7.488730e+05
assign (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   46 and name  HB1) 3.361 1.412 1.412 weight 1.000 ! spec=Noesy, no=647, id=646, vol=7.871532e+05
assign (segid "   A" and resid   46 and name  HG2) (segid "   A" and resid   46 and name  HB1) 3.168 1.255 1.255 weight 1.000 ! spec=Noesy, no=648, id=647, vol=1.161781e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name   HN) 3.390 1.436 1.436 weight 1.000 ! spec=Noesy, no=649, id=648, vol=7.028930e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   39 and name   HN) 3.345 1.398 1.398 weight 1.000 ! spec=Noesy, no=650, id=649, vol=7.078150e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   29 and name   HN) 3.322 1.379 1.379 weight 1.000 ! spec=Noesy, no=651, id=650, vol=8.338115e+05
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   35 and name   HN) 3.136 1.229 1.229 weight 1.000 ! spec=Noesy, no=652, id=651, vol=1.034326e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   33 and name   HN) 3.381 1.429 1.429 weight 1.000 ! spec=Noesy, no=653, id=652, vol=7.218288e+05
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   30 and name  HD2) 3.319 1.377 1.377 weight 1.000 ! spec=Noesy, no=654, id=653, vol=7.752680e+05
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   12 and name   HN) 3.282 1.346 1.346 weight 1.000 ! spec=Noesy, no=655, id=654, vol=7.482055e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   42 and name  HD1) 3.347 1.400 1.400 weight 1.000 ! spec=Noesy, no=656, id=655, vol=7.515570e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   42 and name  HD2)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name   HN) 3.362 1.413 1.413 weight 1.000 ! spec=Noesy, no=657, id=656, vol=7.328190e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   28 and name   HN) 3.210 1.288 1.288 weight 1.000 ! spec=Noesy, no=658, id=657, vol=9.033888e+05
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   49 and name   HN) 3.099 1.200 1.200 weight 1.000 ! spec=Noesy, no=659, id=658, vol=1.173144e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HD1) 3.181 1.265 1.265 weight 1.000 ! spec=Noesy, no=660, id=659, vol=9.792925e+05
assign (segid "   A" and resid   20 and name  HE3) (segid "   A" and resid   20 and name  HH2) 2.581 2.581 3.419 weight 1.000 ! spec=Noesy, no=661, id=660, vol=2.438644e+06
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   21 and name   HA) 3.432 1.472 1.472 weight 1.000 ! spec=Noesy, no=663, id=662, vol=6.750700e+05
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   21 and name   HA)
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   29 and name   HA) 3.686 1.698 1.698 weight 1.000 ! spec=Noesy, no=664, id=663, vol=4.136700e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   35 and name   HA) 3.651 1.666 1.666 weight 1.000 ! spec=Noesy, no=665, id=664, vol=4.325235e+05
assign (segid "   A" and resid   35 and name HD22) (segid "   A" and resid   35 and name   HA) 3.666 1.680 1.680 weight 1.000 ! spec=Noesy, no=666, id=665, vol=3.978912e+05
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   30 and name   HA) 3.469 3.469 2.531 weight 1.000 ! spec=Noesy, no=667, id=666, vol=5.182515e+05
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   30 and name   HA)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   14 and name   HA) 3.484 1.517 1.517 weight 1.000 ! spec=Noesy, no=668, id=667, vol=6.143622e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   42 and name   HA) 3.572 1.595 1.595 weight 1.000 ! spec=Noesy, no=669, id=668, vol=5.063542e+05
assign (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   25 and name   HA) 3.618 1.636 1.636 weight 1.000 ! spec=Noesy, no=672, id=671, vol=4.979285e+05
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   47 and name   HA) 3.573 1.596 1.596 weight 1.000 ! spec=Noesy, no=673, id=672, vol=5.492620e+05
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   47 and name   HA)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   44 and name   HA) 3.500 1.531 1.531 weight 1.000 ! spec=Noesy, no=674, id=673, vol=5.749742e+05
assign (segid "   A" and resid   18 and name   HE) (segid "   A" and resid   18 and name   HA) 3.588 1.609 1.609 weight 1.000 ! spec=Noesy, no=675, id=674, vol=4.515100e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   22 and name   HA) 3.426 1.468 1.468 weight 1.000 ! spec=Noesy, no=676, id=675, vol=6.879802e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   20 and name   HA) 3.544 1.570 1.570 weight 1.000 ! spec=Noesy, no=677, id=676, vol=4.613785e+05
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   43 and name   HA) 3.534 1.561 1.561 weight 1.000 ! spec=Noesy, no=678, id=677, vol=4.993985e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HB1) 3.474 1.508 1.508 weight 1.000 ! spec=Noesy, no=679, id=678, vol=5.746358e+05
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   49 and name   HA) 3.580 1.602 1.602 weight 1.000 ! spec=Noesy, no=680, id=679, vol=4.362898e+05
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   49 and name   HA)
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   36 and name   HA) 3.637 1.654 1.654 weight 1.000 ! spec=Noesy, no=681, id=680, vol=4.003430e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name   HA) 3.512 1.541 1.541 weight 1.000 ! spec=Noesy, no=682, id=681, vol=5.777270e+05
assign (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   16 and name   HA) 3.553 1.578 1.578 weight 1.000 ! spec=Noesy, no=683, id=682, vol=4.592922e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   33 and name   HA) 3.550 1.576 1.576 weight 1.000 ! spec=Noesy, no=684, id=683, vol=5.590108e+05
assign (segid "   A" and resid   33 and name  HZ3) (segid "   A" and resid   33 and name   HA) 3.533 1.560 1.560 weight 1.000 ! spec=Noesy, no=685, id=684, vol=5.295505e+05
assign (segid "   A" and resid   46 and name   HE) (segid "   A" and resid   47 and name  HD2) 3.692 1.703 1.703 weight 1.000 ! spec=Noesy, no=686, id=685, vol=4.149932e+05
assign (segid "   A" and resid   43 and name   HE) (segid "   A" and resid   24 and name   HA) 3.576 1.598 1.598 weight 1.000 ! spec=Noesy, no=687, id=686, vol=4.693525e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HB2) 3.520 1.549 1.549 weight 1.000 ! spec=Noesy, no=688, id=687, vol=5.602520e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   15 and name   HA) 3.715 1.725 1.725 weight 1.000 ! spec=Noesy, no=689, id=688, vol=3.995410e+05
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   47 and name  HD1) 3.728 1.737 1.737 weight 1.000 ! spec=Noesy, no=690, id=689, vol=3.976545e+05
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   47 and name  HD1)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name   HB) 3.490 1.522 1.522 weight 1.000 ! spec=Noesy, no=691, id=690, vol=5.999128e+05
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   31 and name   HB) 3.690 1.702 1.702 weight 1.000 ! spec=Noesy, no=692, id=691, vol=4.054285e+05
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   31 and name   HB)
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   23 and name  HD1) 3.452 1.490 1.490 weight 1.000 ! spec=Noesy, no=694, id=693, vol=6.121608e+05
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   23 and name  HD1)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   19 and name  HA2) 3.511 1.541 1.541 weight 1.000 ! spec=Noesy, no=695, id=694, vol=5.711738e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB1) 3.452 1.489 1.489 weight 1.000 ! spec=Noesy, no=696, id=695, vol=6.589260e+05
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   33 and name  HB1) 3.682 1.695 1.695 weight 1.000 ! spec=Noesy, no=697, id=696, vol=3.718938e+05
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   42 and name  HB1) 3.542 1.568 1.568 weight 1.000 ! spec=Noesy, no=698, id=697, vol=5.758078e+05
assign (segid "   A" and resid   17 and name HD21) (segid "   A" and resid   17 and name  HB2) 3.468 1.504 1.504 weight 1.000 ! spec=Noesy, no=699, id=698, vol=5.347668e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   18 and name  HD1) 3.593 1.614 1.614 weight 1.000 ! spec=Noesy, no=700, id=699, vol=5.447678e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   35 and name  HB2) 3.646 1.662 1.662 weight 1.000 ! spec=Noesy, no=701, id=700, vol=4.358185e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   25 and name  HB1) 3.459 1.496 1.496 weight 1.000 ! spec=Noesy, no=702, id=701, vol=6.934885e+05
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name  HD2) 3.617 1.636 1.636 weight 1.000 ! spec=Noesy, no=703, id=702, vol=4.757088e+05
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   46 and name  HD2) 3.692 1.703 1.703 weight 1.000 ! spec=Noesy, no=704, id=703, vol=4.499838e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HD2) 3.673 1.687 1.687 weight 1.000 ! spec=Noesy, no=705, id=704, vol=4.778148e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HB1) 3.510 1.540 1.540 weight 1.000 ! spec=Noesy, no=706, id=705, vol=6.313020e+05
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   12 and name  HB2) 3.702 1.713 1.713 weight 1.000 ! spec=Noesy, no=707, id=706, vol=3.058798e+05
assign (segid "   A" and resid   20 and name  HE3) (segid "   A" and resid   12 and name  HB2) 3.679 3.679 2.321 weight 1.000 ! spec=Noesy, no=708, id=707, vol=3.829400e+05
assign (segid "   A" and resid   33 and name  HH2) (segid "   A" and resid   36 and name  HB2) 3.501 3.501 2.499 weight 1.000 ! spec=Noesy, no=709, id=708, vol=6.220328e+05
assign (segid "   A" and resid   33 and name  HH2) (segid "   A" and resid   43 and name  HD1) 3.475 1.509 1.509 weight 1.000 ! spec=Noesy, no=710, id=709, vol=6.274705e+05
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   33 and name  HB2) 3.485 1.518 1.518 weight 1.000 ! spec=Noesy, no=711, id=710, vol=5.187248e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   36 and name  HB1) 3.454 1.491 1.491 weight 1.000 ! spec=Noesy, no=712, id=711, vol=7.236002e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HD1) 3.721 1.730 1.730 weight 1.000 ! spec=Noesy, no=713, id=712, vol=4.111618e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    8 and name  HB1) 3.486 1.519 1.519 weight 1.000 ! spec=Noesy, no=714, id=713, vol=6.089592e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   44 and name  HB1) 3.576 1.599 1.599 weight 1.000 ! spec=Noesy, no=715, id=714, vol=4.091965e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name  HB1) 3.504 1.534 1.534 weight 1.000 ! spec=Noesy, no=716, id=715, vol=6.086822e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   45 and name  HB2) 3.454 1.491 1.491 weight 1.000 ! spec=Noesy, no=717, id=716, vol=6.484552e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   37 and name  HB1) 3.698 1.709 1.709 weight 1.000 ! spec=Noesy, no=718, id=717, vol=3.827815e+05
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   20 and name  HB1) 3.662 1.676 1.676 weight 1.000 ! spec=Noesy, no=719, id=718, vol=4.034708e+05
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   14 and name  HB2) 3.493 1.525 1.525 weight 1.000 ! spec=Noesy, no=720, id=719, vol=4.850545e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   45 and name  HB1) 3.660 1.674 1.674 weight 1.000 ! spec=Noesy, no=721, id=720, vol=4.710945e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   45 and name  HB1) 3.470 1.505 1.505 weight 1.000 ! spec=Noesy, no=722, id=721, vol=6.016690e+05
assign (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   16 and name  HB1) 3.566 1.590 1.590 weight 1.000 ! spec=Noesy, no=723, id=722, vol=4.521010e+05
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   39 and name  HB2) 3.472 1.507 1.507 weight 1.000 ! spec=Noesy, no=724, id=723, vol=6.086492e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   26 and name  HB1) 3.483 1.517 1.517 weight 1.000 ! spec=Noesy, no=725, id=724, vol=6.226855e+05
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   32 and name  HB2) 3.560 1.584 1.584 weight 1.000 ! spec=Noesy, no=726, id=725, vol=4.945225e+05
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   32 and name  HB2)
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   29 and name  HB1) 3.660 1.674 1.674 weight 1.000 ! spec=Noesy, no=729, id=728, vol=4.645795e+05
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   29 and name  HB1) 3.485 1.518 1.518 weight 1.000 ! spec=Noesy, no=730, id=729, vol=6.307168e+05
assign (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   29 and name  HG2) 3.652 1.667 1.667 weight 1.000 ! spec=Noesy, no=731, id=730, vol=4.024882e+05
assign (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   29 and name  HG2) 3.509 1.539 1.539 weight 1.000 ! spec=Noesy, no=732, id=731, vol=5.788662e+05
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   29 and name  HG2)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HG2) 3.584 1.605 1.605 weight 1.000 ! spec=Noesy, no=733, id=732, vol=5.481800e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB1) 3.530 1.558 1.558 weight 1.000 ! spec=Noesy, no=734, id=733, vol=5.427052e+05
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   23 and name  HG1) 3.475 1.509 1.509 weight 1.000 ! spec=Noesy, no=735, id=734, vol=6.114425e+05
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   23 and name  HG1)
assign (segid "   A" and resid    6 and name   HE) (segid "   A" and resid    6 and name  HB2) 3.573 1.595 1.595 weight 1.000 ! spec=Noesy, no=736, id=735, vol=4.827345e+05
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   23 and name  HB2) 3.514 1.544 1.544 weight 1.000 ! spec=Noesy, no=737, id=736, vol=5.629762e+05
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   23 and name  HB2)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   29 and name  HG1) 3.495 1.527 1.527 weight 1.000 ! spec=Noesy, no=738, id=737, vol=6.087140e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HG1) 3.688 1.700 1.700 weight 1.000 ! spec=Noesy, no=740, id=739, vol=4.141352e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HG2) 3.644 1.660 1.660 weight 1.000 ! spec=Noesy, no=741, id=740, vol=4.571558e+05
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   29 and name  HB2) 3.444 1.482 1.482 weight 1.000 ! spec=Noesy, no=742, id=741, vol=6.392565e+05
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   50 and name  HB1) 3.663 1.677 1.677 weight 1.000 ! spec=Noesy, no=743, id=742, vol=4.450110e+05
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   50 and name  HB1)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name  HG1) 3.623 1.641 1.641 weight 1.000 ! spec=Noesy, no=744, id=743, vol=4.553725e+05
assign (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   10 and name  HB2) 3.648 1.663 1.663 weight 1.000 ! spec=Noesy, no=745, id=744, vol=3.818085e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   15 and name  HB3) 3.573 1.596 1.596 weight 1.000 ! spec=Noesy, no=746, id=745, vol=5.175018e+05
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   15 and name  HB3) 3.439 1.478 1.478 weight 1.000 ! spec=Noesy, no=747, id=746, vol=6.211128e+05
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   22 and name  HB1) 3.618 3.618 2.382 weight 1.000 ! spec=Noesy, no=748, id=747, vol=4.740532e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name HG11) 3.696 1.708 1.708 weight 1.000 ! spec=Noesy, no=749, id=748, vol=4.628222e+05
assign (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   38 and name HG23) 3.587 1.608 1.608 weight 1.000 ! spec=Noesy, no=750, id=749, vol=4.932828e+05
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    5 and name HG23) 3.467 1.503 1.503 weight 1.000 ! spec=Noesy, no=751, id=750, vol=5.736270e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    5 and name HG21)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    5 and name HG22)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   46 and name  HB1) 3.560 1.585 1.585 weight 1.000 ! spec=Noesy, no=752, id=751, vol=5.672842e+05
assign (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   43 and name   HA) 3.469 1.505 1.505 weight 1.000 ! spec=Noesy, no=753, id=752, vol=5.964655e+05
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   31 and name   HA) 3.226 1.301 1.301 weight 1.000 ! spec=Noesy, no=754, id=753, vol=9.453280e+05
assign (segid "   A" and resid   23 and name  HD2) (segid "   A" and resid   23 and name  HB2) 3.508 1.538 1.538 weight 1.000 ! spec=Noesy, no=755, id=754, vol=6.297240e+05
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   29 and name  HG1) 3.544 1.570 1.570 weight 1.000 ! spec=Noesy, no=756, id=755, vol=5.466052e+05
assign (segid "   A" and resid   47 and name  HB2) (segid "   A" and resid   29 and name  HG1) 3.618 1.636 1.636 weight 1.000 ! spec=Noesy, no=757, id=756, vol=5.359282e+05
assign (segid "   A" and resid   48 and name  HA1) (segid "   A" and resid   46 and name  HB2) 3.554 1.579 1.579 weight 1.000 ! spec=Noesy, no=758, id=757, vol=6.094328e+05
assign (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   46 and name  HB2) 3.226 1.300 1.300 weight 1.000 ! spec=Noesy, no=759, id=758, vol=1.015023e+06
assign (segid "   A" and resid   19 and name  HA2) (segid "   A" and resid   46 and name  HB2) 3.839 1.842 1.842 weight 1.000 ! spec=Noesy, no=761, id=760, vol=4.494305e+05
assign (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   49 and name  HB1) 3.672 1.686 1.686 weight 1.000 ! spec=Noesy, no=765, id=764, vol=4.316402e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   43 and name  HG1) 3.724 1.733 1.733 weight 1.000 ! spec=Noesy, no=767, id=766, vol=3.970022e+05
assign (segid "   A" and resid   47 and name  HD2) (segid "   A" and resid   46 and name  HG1) 3.703 1.714 1.714 weight 1.000 ! spec=Noesy, no=768, id=767, vol=4.163275e+05
assign (segid "   A" and resid   42 and name  HB1) (segid "   A" and resid   10 and name  HB2) 3.552 1.577 1.577 weight 1.000 ! spec=Noesy, no=769, id=768, vol=5.784700e+05
assign (segid "   A" and resid   47 and name  HD2) (segid "   A" and resid   15 and name  HB3) 3.542 3.542 2.458 weight 1.000 ! spec=Noesy, no=771, id=770, vol=5.153318e+05
    or (segid "   A" and resid   47 and name  HD2) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   47 and name  HD2) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   15 and name  HB3) 3.677 1.690 1.690 weight 1.000 ! spec=Noesy, no=772, id=771, vol=4.107672e+05
    or (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   15 and name  HB3) 3.577 1.599 1.599 weight 1.000 ! spec=Noesy, no=773, id=772, vol=5.596858e+05
    or (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   42 and name  HB2) (segid "   A" and resid   22 and name  HB1) 3.624 1.642 1.642 weight 1.000 ! spec=Noesy, no=774, id=773, vol=4.547495e+05
assign (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   38 and name HG23) 3.596 1.616 1.616 weight 1.000 ! spec=Noesy, no=776, id=775, vol=4.928012e+05
    or (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   38 and name HG23) 3.568 1.592 1.592 weight 1.000 ! spec=Noesy, no=777, id=776, vol=5.439278e+05
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   44 and name  HB1) (segid "   A" and resid   38 and name HG23) 3.375 1.424 1.424 weight 1.000 ! spec=Noesy, no=778, id=777, vol=7.470535e+05
    or (segid "   A" and resid   44 and name  HB1) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   44 and name  HB1) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   37 and name  HB1) (segid "   A" and resid   38 and name HG13) 3.456 1.493 1.493 weight 1.000 ! spec=Noesy, no=779, id=778, vol=6.549800e+05
    or (segid "   A" and resid   37 and name  HB1) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   37 and name  HB1) (segid "   A" and resid   38 and name HG11)
assign (segid "   A" and resid   47 and name  HD2) (segid "   A" and resid   46 and name  HB1) 3.660 1.675 1.675 weight 1.000 ! spec=Noesy, no=780, id=779, vol=4.773782e+05
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   31 and name HG22) 4.646 2.698 2.698 weight 1.000 ! spec=Noesy, no=781, id=780, vol=2.454360e+05
    or (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   44 and name  HB1) (segid "   A" and resid   31 and name HG22) 3.684 1.697 1.697 weight 1.000 ! spec=Noesy, no=782, id=781, vol=3.944238e+05
    or (segid "   A" and resid   44 and name  HB1) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   44 and name  HB1) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   36 and name  HB2) 3.712 1.723 1.723 weight 1.000 ! spec=Noesy, no=783, id=782, vol=4.088628e+05
assign (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   43 and name  HD1) 3.462 1.498 1.498 weight 1.000 ! spec=Noesy, no=784, id=783, vol=6.766030e+05
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid    8 and name  HB2) 3.499 1.531 1.531 weight 1.000 ! spec=Noesy, no=785, id=784, vol=6.017338e+05
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   39 and name  HB2) 3.035 1.151 1.151 weight 1.000 ! spec=Noesy, no=786, id=785, vol=1.406184e+06
assign (segid "   A" and resid   47 and name  HD1) (segid "   A" and resid   47 and name  HB2) 3.454 1.491 1.491 weight 1.000 ! spec=Noesy, no=787, id=786, vol=7.132648e+05
assign (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   30 and name   HA) 3.506 1.536 1.536 weight 1.000 ! spec=Noesy, no=788, id=787, vol=6.006880e+05
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   30 and name   HA) 2.465 0.759 0.759 weight 1.000 ! spec=Noesy, no=789, id=788, vol=4.453845e+06
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name   HA) 2.277 0.648 0.648 weight 1.000 ! spec=Noesy, no=790, id=789, vol=6.905423e+06
assign (segid "   A" and resid   47 and name  HD1) (segid "   A" and resid   46 and name   HA) 2.556 0.817 0.817 weight 1.000 ! spec=Noesy, no=791, id=790, vol=4.057787e+06
assign (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   46 and name   HA) 3.436 1.476 1.476 weight 1.000 ! spec=Noesy, no=792, id=791, vol=6.845865e+05
assign (segid "   A" and resid   47 and name  HG2) (segid "   A" and resid   46 and name   HA) 3.615 1.633 1.633 weight 1.000 ! spec=Noesy, no=793, id=792, vol=5.099950e+05
assign (segid "   A" and resid   47 and name  HG1) (segid "   A" and resid   46 and name   HA) 3.586 1.608 1.608 weight 1.000 ! spec=Noesy, no=794, id=793, vol=5.272685e+05
assign (segid "   A" and resid   46 and name  HB2) (segid "   A" and resid   46 and name   HA) 2.847 1.013 1.013 weight 1.000 ! spec=Noesy, no=795, id=794, vol=2.120874e+06
assign (segid "   A" and resid   46 and name  HG1) (segid "   A" and resid   46 and name   HA) 3.017 1.138 1.138 weight 1.000 ! spec=Noesy, no=796, id=795, vol=1.491532e+06
assign (segid "   A" and resid   46 and name  HG2) (segid "   A" and resid   46 and name   HA) 3.023 1.143 1.143 weight 1.000 ! spec=Noesy, no=797, id=796, vol=1.499781e+06
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name   HA) 2.968 1.101 1.101 weight 1.000 ! spec=Noesy, no=798, id=797, vol=1.480374e+06
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   14 and name   HA) 3.122 3.122 2.878 weight 1.000 ! spec=Noesy, no=799, id=798, vol=1.199130e+06
assign (segid "   A" and resid   38 and name HG23) (segid "   A" and resid   14 and name   HA) 2.491 0.775 0.775 weight 1.000 ! spec=Noesy, no=800, id=799, vol=4.389474e+06
    or (segid "   A" and resid   38 and name HG22) (segid "   A" and resid   14 and name   HA)
    or (segid "   A" and resid   38 and name HG21) (segid "   A" and resid   14 and name   HA)
assign (segid "   A" and resid   38 and name HG13) (segid "   A" and resid   14 and name   HA) 2.936 2.936 3.064 weight 1.000 ! spec=Noesy, no=801, id=800, vol=1.635502e+06
    or (segid "   A" and resid   38 and name HG12) (segid "   A" and resid   14 and name   HA)
    or (segid "   A" and resid   38 and name HG11) (segid "   A" and resid   14 and name   HA)
assign (segid "   A" and resid   15 and name  HB3) (segid "   A" and resid   19 and name  HA1) 2.954 1.090 1.090 weight 1.000 ! spec=Noesy, no=803, id=802, vol=1.694159e+06
    or (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   19 and name  HA1)
    or (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   19 and name  HA1)
assign (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   19 and name  HA1) 3.544 1.570 1.570 weight 1.000 ! spec=Noesy, no=804, id=803, vol=5.292700e+05
assign (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   32 and name   HA) 3.464 1.500 1.500 weight 1.000 ! spec=Noesy, no=805, id=804, vol=6.551620e+05
assign (segid "   A" and resid   46 and name  HG1) (segid "   A" and resid   19 and name  HA1) 3.316 1.374 1.374 weight 1.000 ! spec=Noesy, no=806, id=805, vol=8.667152e+05
assign (segid "   A" and resid   46 and name  HG2) (segid "   A" and resid   19 and name  HA1) 3.327 1.384 1.384 weight 1.000 ! spec=Noesy, no=807, id=806, vol=8.647112e+05
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   32 and name   HA) 3.534 1.561 1.561 weight 1.000 ! spec=Noesy, no=809, id=808, vol=5.825108e+05
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   32 and name   HA) 3.028 1.146 1.146 weight 1.000 ! spec=Noesy, no=810, id=809, vol=1.321378e+06
assign (segid "   A" and resid   38 and name   HB) (segid "   A" and resid   39 and name   HA) 4.591 2.634 2.634 weight 1.000 ! spec=Noesy, no=811, id=810, vol=1.718892e+05
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   42 and name   HA) 2.676 0.895 0.895 weight 1.000 ! spec=Noesy, no=812, id=811, vol=3.020822e+06
assign (segid "   A" and resid   42 and name  HB1) (segid "   A" and resid   42 and name   HA) 3.184 1.267 1.267 weight 1.000 ! spec=Noesy, no=813, id=812, vol=1.065883e+06
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   39 and name   HA) 3.848 1.851 1.851 weight 1.000 ! spec=Noesy, no=814, id=813, vol=4.498288e+05
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   39 and name   HA) 2.763 0.954 0.954 weight 1.000 ! spec=Noesy, no=816, id=815, vol=2.142143e+06
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   39 and name   HA) 2.796 0.977 0.977 weight 1.000 ! spec=Noesy, no=817, id=816, vol=2.125790e+06
assign (segid "   A" and resid   43 and name  HG2) (segid "   A" and resid   42 and name   HA) 3.321 1.378 1.378 weight 1.000 ! spec=Noesy, no=818, id=817, vol=8.078368e+05
assign (segid "   A" and resid   38 and name HG23) (segid "   A" and resid   39 and name   HA) 3.209 1.287 1.287 weight 1.000 ! spec=Noesy, no=819, id=818, vol=9.839702e+05
    or (segid "   A" and resid   38 and name HG22) (segid "   A" and resid   39 and name   HA)
    or (segid "   A" and resid   38 and name HG21) (segid "   A" and resid   39 and name   HA)
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   25 and name   HA) 3.654 1.669 1.669 weight 1.000 ! spec=Noesy, no=821, id=820, vol=4.847915e+05
assign (segid "   A" and resid   47 and name  HB2) (segid "   A" and resid   47 and name   HA) 2.387 0.712 0.712 weight 1.000 ! spec=Noesy, no=822, id=821, vol=5.900270e+06
assign (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   25 and name   HA) 2.612 0.853 0.853 weight 1.000 ! spec=Noesy, no=823, id=822, vol=3.738276e+06
assign (segid "   A" and resid   47 and name  HG2) (segid "   A" and resid   47 and name   HA) 3.078 1.184 1.184 weight 1.000 ! spec=Noesy, no=824, id=823, vol=1.336050e+06
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   25 and name   HA) 3.428 1.469 1.469 weight 1.000 ! spec=Noesy, no=825, id=824, vol=7.203898e+05
assign (segid "   A" and resid   47 and name  HG1) (segid "   A" and resid   47 and name   HA) 3.130 1.225 1.225 weight 1.000 ! spec=Noesy, no=826, id=825, vol=1.209886e+06
assign (segid "   A" and resid   29 and name  HG2) (segid "   A" and resid   47 and name   HA) 3.046 1.160 1.160 weight 1.000 ! spec=Noesy, no=827, id=826, vol=1.361269e+06
assign (segid "   A" and resid   29 and name  HG1) (segid "   A" and resid   47 and name   HA) 2.667 0.889 0.889 weight 1.000 ! spec=Noesy, no=828, id=827, vol=2.844601e+06
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   47 and name   HA) 3.277 1.342 1.342 weight 1.000 ! spec=Noesy, no=829, id=828, vol=8.983025e+05
assign (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   25 and name   HA) 3.135 1.229 1.229 weight 1.000 ! spec=Noesy, no=830, id=829, vol=1.140858e+06
assign (segid "   A" and resid   18 and name  HD2) (segid "   A" and resid   18 and name   HA) 3.289 1.352 1.352 weight 1.000 ! spec=Noesy, no=831, id=830, vol=8.889250e+05
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   18 and name   HA) 2.767 0.957 0.957 weight 1.000 ! spec=Noesy, no=832, id=831, vol=2.608378e+06
assign (segid "   A" and resid   18 and name  HG1) (segid "   A" and resid   18 and name   HA) 2.699 0.910 0.910 weight 1.000 ! spec=Noesy, no=833, id=832, vol=3.008922e+06
assign (segid "   A" and resid   15 and name  HB3) (segid "   A" and resid   18 and name   HA) 3.373 1.422 1.422 weight 1.000 ! spec=Noesy, no=834, id=833, vol=7.626892e+05
    or (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   18 and name   HA)
    or (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   18 and name   HA)
assign (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   44 and name   HA) 2.682 0.899 0.899 weight 1.000 ! spec=Noesy, no=835, id=834, vol=2.845669e+06
assign (segid "   A" and resid   44 and name  HB1) (segid "   A" and resid   44 and name   HA) 2.749 0.944 0.944 weight 1.000 ! spec=Noesy, no=836, id=835, vol=2.426170e+06
assign (segid "   A" and resid   23 and name  HD2) (segid "   A" and resid   22 and name   HA) 2.495 0.778 0.778 weight 1.000 ! spec=Noesy, no=837, id=836, vol=5.121636e+06
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name   HA) 2.773 0.961 0.961 weight 1.000 ! spec=Noesy, no=838, id=837, vol=2.587490e+06
assign (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   22 and name   HA) 2.551 0.813 0.813 weight 1.000 ! spec=Noesy, no=839, id=838, vol=4.084698e+06
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name   HA) 2.770 0.959 0.959 weight 1.000 ! spec=Noesy, no=842, id=841, vol=2.418938e+06
assign (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   20 and name   HA) 3.459 3.459 2.541 weight 1.000 ! spec=Noesy, no=843, id=842, vol=1.289334e+06
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name   HA) 2.942 1.082 1.082 weight 1.000 ! spec=Noesy, no=844, id=843, vol=1.689171e+06
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   43 and name   HA) 3.373 1.422 1.422 weight 1.000 ! spec=Noesy, no=847, id=846, vol=6.911580e+05
assign (segid "   A" and resid   44 and name  HB1) (segid "   A" and resid   43 and name   HA) 2.945 2.945 3.055 weight 1.000 ! spec=Noesy, no=848, id=847, vol=1.576864e+06
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   43 and name   HA) 3.307 1.367 1.367 weight 1.000 ! spec=Noesy, no=849, id=848, vol=7.670362e+05
assign (segid "   A" and resid   43 and name  HG1) (segid "   A" and resid   43 and name   HA) 3.024 1.143 1.143 weight 1.000 ! spec=Noesy, no=850, id=849, vol=1.466084e+06
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   11 and name   HA) 3.084 3.084 2.916 weight 1.000 ! spec=Noesy, no=852, id=851, vol=1.116576e+06
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   11 and name   HA) 3.341 3.341 2.659 weight 1.000 ! spec=Noesy, no=853, id=852, vol=7.165848e+05
assign (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    7 and name   HA) 2.663 0.886 0.886 weight 1.000 ! spec=Noesy, no=855, id=854, vol=2.806034e+06
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    7 and name   HA) 2.745 0.942 0.942 weight 1.000 ! spec=Noesy, no=856, id=855, vol=2.331779e+06
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name  HB1) 2.071 0.536 0.536 weight 1.000 ! spec=Noesy, no=859, id=857, vol=1.458708e+07
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   11 and name  HB1) 3.285 1.349 1.349 weight 1.000 ! spec=Noesy, no=860, id=858, vol=8.132765e+05
assign (segid "   A" and resid    5 and name HG23) (segid "   A" and resid    6 and name   HA) 3.673 1.687 1.687 weight 1.000 ! spec=Noesy, no=862, id=860, vol=4.370375e+05
    or (segid "   A" and resid    5 and name HG21) (segid "   A" and resid    6 and name   HA)
    or (segid "   A" and resid    5 and name HG22) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid    9 and name   HA) 2.512 0.788 0.788 weight 1.000 ! spec=Noesy, no=863, id=861, vol=4.138635e+06
assign (segid "   A" and resid   49 and name  HB1) (segid "   A" and resid   49 and name   HA) 2.790 0.973 0.973 weight 1.000 ! spec=Noesy, no=864, id=862, vol=2.373175e+06
assign (segid "   A" and resid   37 and name  HB2) (segid "   A" and resid   37 and name   HA) 2.303 0.663 0.663 weight 1.000 ! spec=Noesy, no=866, id=864, vol=6.850874e+06
assign (segid "   A" and resid   38 and name HG23) (segid "   A" and resid   38 and name   HA) 2.520 0.794 0.794 weight 1.000 ! spec=Noesy, no=867, id=865, vol=4.072153e+06
    or (segid "   A" and resid   38 and name HG22) (segid "   A" and resid   38 and name   HA)
    or (segid "   A" and resid   38 and name HG21) (segid "   A" and resid   38 and name   HA)
assign (segid "   A" and resid   38 and name HG13) (segid "   A" and resid   38 and name   HA) 2.182 0.595 0.595 weight 1.000 ! spec=Noesy, no=868, id=866, vol=9.650928e+06
    or (segid "   A" and resid   38 and name HG12) (segid "   A" and resid   38 and name   HA)
    or (segid "   A" and resid   38 and name HG11) (segid "   A" and resid   38 and name   HA)
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   36 and name   HA) 2.565 0.823 0.823 weight 1.000 ! spec=Noesy, no=869, id=867, vol=3.665177e+06
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   36 and name   HA) 2.987 1.115 1.115 weight 1.000 ! spec=Noesy, no=870, id=868, vol=1.472692e+06
assign (segid "   A" and resid   44 and name  HB1) (segid "   A" and resid   36 and name   HA) 2.717 0.923 0.923 weight 1.000 ! spec=Noesy, no=871, id=869, vol=2.401589e+06
assign (segid "   A" and resid   29 and name  HG1) (segid "   A" and resid   48 and name  HA1) 3.339 3.339 2.661 weight 1.000 ! spec=Noesy, no=873, id=871, vol=7.834658e+05
assign (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   31 and name   HA) 3.610 3.610 2.390 weight 1.000 ! spec=Noesy, no=876, id=874, vol=2.858640e+05
assign (segid "   A" and resid    5 and name HG23) (segid "   A" and resid    5 and name   HA) 2.578 0.831 0.831 weight 1.000 ! spec=Noesy, no=878, id=876, vol=3.599316e+06
    or (segid "   A" and resid    5 and name HG21) (segid "   A" and resid    5 and name   HA)
    or (segid "   A" and resid    5 and name HG22) (segid "   A" and resid    5 and name   HA)
assign (segid "   A" and resid    5 and name HD13) (segid "   A" and resid    5 and name   HA) 3.187 1.269 1.269 weight 1.000 ! spec=Noesy, no=879, id=877, vol=9.559348e+05
    or (segid "   A" and resid    5 and name HD11) (segid "   A" and resid    5 and name   HA)
    or (segid "   A" and resid    5 and name HD12) (segid "   A" and resid    5 and name   HA)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   18 and name   HN) 3.549 1.574 1.574 weight 1.000 ! spec=Noesy, no=880, id=878, vol=5.094115e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name   HN) 3.602 1.622 1.622 weight 1.000 ! spec=Noesy, no=881, id=879, vol=5.129895e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   35 and name   HN) 3.475 1.509 1.509 weight 1.000 ! spec=Noesy, no=882, id=880, vol=5.231202e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   20 and name  HZ2) 3.445 1.484 1.484 weight 1.000 ! spec=Noesy, no=883, id=881, vol=5.699015e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HZ2) 3.458 3.458 2.542 weight 1.000 ! spec=Noesy, no=884, id=882, vol=5.980548e+05
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   17 and name HD22) 3.624 3.624 2.376 weight 1.000 ! spec=Noesy, no=885, id=883, vol=4.661325e+05
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   36 and name   HN) 3.725 1.734 1.734 weight 1.000 ! spec=Noesy, no=886, id=884, vol=4.081640e+05
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   36 and name   HN) 3.583 1.605 1.605 weight 1.000 ! spec=Noesy, no=887, id=885, vol=4.277020e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   11 and name   HN) 3.561 1.585 1.585 weight 1.000 ! spec=Noesy, no=888, id=886, vol=5.081595e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   20 and name  HE3) 3.524 1.552 1.552 weight 1.000 ! spec=Noesy, no=889, id=887, vol=5.393040e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   38 and name   HN) 3.657 1.672 1.672 weight 1.000 ! spec=Noesy, no=890, id=888, vol=4.072742e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HD2) 3.527 1.555 1.555 weight 1.000 ! spec=Noesy, no=891, id=889, vol=5.271612e+05
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   20 and name  HZ3) 3.690 3.690 2.310 weight 1.000 ! spec=Noesy, no=892, id=890, vol=3.604590e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   20 and name  HZ3) 3.403 1.448 1.448 weight 1.000 ! spec=Noesy, no=893, id=891, vol=6.053038e+05
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   26 and name  HE1) 3.553 1.578 1.578 weight 1.000 ! spec=Noesy, no=894, id=892, vol=5.543345e+05
    or (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   26 and name  HE2)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   28 and name  HD2) 3.581 1.603 1.603 weight 1.000 ! spec=Noesy, no=895, id=893, vol=5.228190e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HE) 3.567 1.591 1.591 weight 1.000 ! spec=Noesy, no=896, id=894, vol=5.467985e+05
assign (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   26 and name  HD2) 3.567 1.590 1.590 weight 1.000 ! spec=Noesy, no=897, id=895, vol=4.813728e+05
    or (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   26 and name  HD1)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   30 and name  HD2) 3.665 1.679 1.679 weight 1.000 ! spec=Noesy, no=898, id=896, vol=4.583922e+05
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   30 and name  HD2) 3.512 1.542 1.542 weight 1.000 ! spec=Noesy, no=899, id=897, vol=5.801195e+05
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   30 and name  HD2) 3.450 1.488 1.488 weight 1.000 ! spec=Noesy, no=900, id=898, vol=6.216488e+05
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   42 and name  HE2) 3.685 1.697 1.697 weight 1.000 ! spec=Noesy, no=901, id=899, vol=4.256432e+05
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   42 and name  HE1)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HN) 3.512 1.542 1.542 weight 1.000 ! spec=Noesy, no=902, id=900, vol=5.206508e+05
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   42 and name  HD1) 3.697 1.709 1.709 weight 1.000 ! spec=Noesy, no=903, id=901, vol=4.104320e+05
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   42 and name  HD2)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HE2) 3.562 1.586 1.586 weight 1.000 ! spec=Noesy, no=904, id=902, vol=5.570698e+05
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HE1)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   30 and name  HE2) 3.695 1.707 1.707 weight 1.000 ! spec=Noesy, no=905, id=903, vol=4.154582e+05
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   30 and name  HE1)
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   30 and name  HE2) 3.650 1.666 1.666 weight 1.000 ! spec=Noesy, no=906, id=904, vol=4.382055e+05
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   30 and name  HE1)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name   HN) 3.235 1.308 1.308 weight 1.000 ! spec=Noesy, no=907, id=905, vol=8.591952e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   45 and name   HN) 3.686 1.699 1.699 weight 1.000 ! spec=Noesy, no=908, id=906, vol=4.336528e+05
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   45 and name   HN) 3.336 1.391 1.391 weight 1.000 ! spec=Noesy, no=909, id=907, vol=7.016265e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   31 and name   HN) 3.673 1.686 1.686 weight 1.000 ! spec=Noesy, no=910, id=908, vol=4.117660e+05
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name   HN) 3.595 1.616 1.616 weight 1.000 ! spec=Noesy, no=911, id=909, vol=4.885672e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name   HN) 3.666 1.680 1.680 weight 1.000 ! spec=Noesy, no=912, id=910, vol=4.669962e+05
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   44 and name   HN) 3.679 1.692 1.692 weight 1.000 ! spec=Noesy, no=913, id=911, vol=4.169300e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   48 and name   HN) 3.384 1.431 1.431 weight 1.000 ! spec=Noesy, no=914, id=912, vol=7.533268e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HN) 3.261 1.329 1.329 weight 1.000 ! spec=Noesy, no=915, id=913, vol=7.755760e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   14 and name   HN) 3.364 1.415 1.415 weight 1.000 ! spec=Noesy, no=916, id=914, vol=6.535035e+05
assign (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   12 and name   HN) 3.237 1.310 1.310 weight 1.000 ! spec=Noesy, no=917, id=915, vol=7.512768e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   29 and name   HA) 3.788 1.794 1.794 weight 1.000 ! spec=Noesy, no=918, id=916, vol=3.537028e+05
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   29 and name   HA) 3.986 1.986 1.986 weight 1.000 ! spec=Noesy, no=919, id=917, vol=2.595138e+05
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   29 and name   HA) 3.788 1.794 1.794 weight 1.000 ! spec=Noesy, no=920, id=918, vol=3.292712e+05
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   29 and name   HA)
assign (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   29 and name   HA) 4.319 2.332 2.332 weight 1.000 ! spec=Noesy, no=921, id=919, vol=1.508038e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   35 and name   HA) 3.753 1.760 1.760 weight 1.000 ! spec=Noesy, no=922, id=920, vol=3.619412e+05
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   35 and name   HA) 3.738 1.747 1.747 weight 1.000 ! spec=Noesy, no=923, id=921, vol=3.577678e+05
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   35 and name   HA)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   35 and name   HA) 4.351 2.366 2.366 weight 1.000 ! spec=Noesy, no=924, id=922, vol=1.490365e+05
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   45 and name   HA) 4.310 2.322 2.322 weight 1.000 ! spec=Noesy, no=925, id=923, vol=1.573618e+05
assign (segid "   A" and resid   46 and name   HE) (segid "   A" and resid   45 and name   HA) 4.740 2.808 2.808 weight 1.000 ! spec=Noesy, no=926, id=924, vol=7.096700e+04
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   30 and name   HA) 4.601 2.646 2.646 weight 1.000 ! spec=Noesy, no=927, id=925, vol=1.084062e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   30 and name   HA) 4.254 2.262 2.262 weight 1.000 ! spec=Noesy, no=928, id=926, vol=1.599815e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   46 and name   HA) 4.285 2.295 2.295 weight 1.000 ! spec=Noesy, no=929, id=927, vol=1.781620e+05
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   46 and name   HA) 4.511 2.544 2.544 weight 1.000 ! spec=Noesy, no=930, id=928, vol=1.121888e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   46 and name   HA) 4.270 2.279 2.279 weight 1.000 ! spec=Noesy, no=931, id=929, vol=1.567340e+05
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   46 and name   HA) 3.882 1.884 1.884 weight 1.000 ! spec=Noesy, no=932, id=930, vol=3.294028e+05
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   46 and name   HA)
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   46 and name   HA) 4.361 2.377 2.377 weight 1.000 ! spec=Noesy, no=933, id=931, vol=1.355585e+05
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   46 and name   HA)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   26 and name   HA) 3.799 1.804 1.804 weight 1.000 ! spec=Noesy, no=934, id=932, vol=3.824490e+05
assign (segid "   A" and resid   26 and name   HZ) (segid "   A" and resid   26 and name   HA) 3.742 3.742 2.258 weight 1.000 ! spec=Noesy, no=935, id=933, vol=3.840308e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   28 and name   HA) 4.857 2.949 2.949 weight 1.000 ! spec=Noesy, no=936, id=934, vol=1.128205e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   14 and name   HA) 4.667 2.723 2.723 weight 1.000 ! spec=Noesy, no=937, id=935, vol=9.216650e+04
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   28 and name   HA) 4.315 2.328 2.328 weight 1.000 ! spec=Noesy, no=939, id=936, vol=1.661302e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name  HA1) 3.881 1.882 1.882 weight 1.000 ! spec=Noesy, no=940, id=937, vol=3.331685e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   32 and name   HA) 4.449 2.474 2.474 weight 1.000 ! spec=Noesy, no=941, id=938, vol=1.597562e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   32 and name   HA) 4.106 2.108 2.108 weight 1.000 ! spec=Noesy, no=942, id=939, vol=2.375395e+05
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   32 and name   HA) 4.414 2.436 2.436 weight 1.000 ! spec=Noesy, no=943, id=940, vol=1.262305e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   42 and name   HA) 4.808 2.890 2.890 weight 1.000 ! spec=Noesy, no=944, id=941, vol=7.982950e+04
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   39 and name   HA) 4.074 2.075 2.075 weight 1.000 ! spec=Noesy, no=945, id=942, vol=2.516162e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   39 and name   HA) 3.976 1.976 1.976 weight 1.000 ! spec=Noesy, no=946, id=943, vol=2.909112e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    8 and name   HA) 4.052 2.053 2.053 weight 1.000 ! spec=Noesy, no=947, id=944, vol=2.241338e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    8 and name   HA) 3.751 1.759 1.759 weight 1.000 ! spec=Noesy, no=948, id=945, vol=3.888845e+05
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   47 and name   HA) 3.880 1.882 1.882 weight 1.000 ! spec=Noesy, no=950, id=947, vol=3.148652e+05
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   47 and name   HA) 4.028 2.028 2.028 weight 1.000 ! spec=Noesy, no=951, id=948, vol=2.054110e+05
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   47 and name   HA)
assign (segid "   A" and resid   46 and name   HE) (segid "   A" and resid   18 and name   HA) 3.865 1.867 1.867 weight 1.000 ! spec=Noesy, no=952, id=949, vol=3.092610e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   18 and name   HA) 3.984 1.984 1.984 weight 1.000 ! spec=Noesy, no=953, id=950, vol=2.692035e+05
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   22 and name   HA) 4.449 2.474 2.474 weight 1.000 ! spec=Noesy, no=954, id=951, vol=1.241668e+05
assign (segid "   A" and resid   20 and name  HE3) (segid "   A" and resid   20 and name   HA) 4.379 2.397 2.397 weight 1.000 ! spec=Noesy, no=955, id=952, vol=1.239390e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   43 and name   HA) 3.842 1.845 1.845 weight 1.000 ! spec=Noesy, no=956, id=953, vol=3.139745e+05
assign (segid "   A" and resid   43 and name   HE) (segid "   A" and resid   43 and name   HA) 3.930 1.930 1.930 weight 1.000 ! spec=Noesy, no=957, id=954, vol=2.822062e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   11 and name   HA) 4.255 2.263 2.263 weight 1.000 ! spec=Noesy, no=958, id=955, vol=1.639995e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   41 and name   HA) 4.384 2.403 2.403 weight 1.000 ! spec=Noesy, no=959, id=956, vol=1.436935e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   11 and name   HA) 3.826 1.830 1.830 weight 1.000 ! spec=Noesy, no=960, id=957, vol=2.529938e+05
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   34 and name   HA) 4.549 2.586 2.586 weight 1.000 ! spec=Noesy, no=961, id=958, vol=1.043185e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   34 and name   HA) 4.695 2.756 2.756 weight 1.000 ! spec=Noesy, no=962, id=959, vol=1.489250e+04
assign (segid "   A" and resid   35 and name HD22) (segid "   A" and resid   34 and name   HA) 4.800 2.880 2.880 weight 1.000 ! spec=Noesy, no=963, id=960, vol=6.673250e+04
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   11 and name  HB1) 3.964 1.964 1.964 weight 1.000 ! spec=Noesy, no=964, id=961, vol=2.202970e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   37 and name   HA) 4.192 2.197 2.197 weight 1.000 ! spec=Noesy, no=965, id=962, vol=1.455928e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   36 and name   HA) 3.810 1.814 1.814 weight 1.000 ! spec=Noesy, no=966, id=963, vol=3.759602e+05
assign (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    3 and name   HA) 4.424 2.446 2.446 weight 1.000 ! spec=Noesy, no=967, id=964, vol=1.554462e+05
    or (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    3 and name   HA)
assign (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   16 and name   HA) 3.824 1.828 1.828 weight 1.000 ! spec=Noesy, no=969, id=966, vol=3.092502e+05
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   31 and name   HA) 3.920 1.921 1.921 weight 1.000 ! spec=Noesy, no=970, id=967, vol=2.955230e+05
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   12 and name   HA) 4.520 2.554 2.554 weight 1.000 ! spec=Noesy, no=971, id=968, vol=1.046222e+05
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   12 and name   HA)
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   31 and name   HA) 4.463 2.489 2.489 weight 1.000 ! spec=Noesy, no=972, id=969, vol=1.020488e+05
assign (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   27 and name   HA) 4.169 2.172 2.172 weight 1.000 ! spec=Noesy, no=973, id=970, vol=1.851180e+05
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   27 and name   HA)
assign (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   27 and name   HA) 4.199 2.204 2.204 weight 1.000 ! spec=Noesy, no=974, id=971, vol=1.700115e+05
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   33 and name   HA) 4.259 2.268 2.268 weight 1.000 ! spec=Noesy, no=975, id=972, vol=1.503590e+05
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   33 and name   HA) 4.356 2.372 2.372 weight 1.000 ! spec=Noesy, no=976, id=973, vol=1.424230e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   33 and name   HA) 4.233 2.240 2.240 weight 1.000 ! spec=Noesy, no=977, id=974, vol=1.463192e+05
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   47 and name  HD2) 4.258 2.267 2.267 weight 1.000 ! spec=Noesy, no=978, id=975, vol=1.553002e+05
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   47 and name  HD2)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   47 and name  HD2) 4.075 2.076 2.076 weight 1.000 ! spec=Noesy, no=979, id=976, vol=1.995825e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   47 and name  HD2) 3.790 1.796 1.796 weight 1.000 ! spec=Noesy, no=980, id=977, vol=3.535482e+05
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name   HA) 3.997 1.997 1.997 weight 1.000 ! spec=Noesy, no=981, id=978, vol=2.282848e+05
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   47 and name  HD2) 4.269 2.279 2.279 weight 1.000 ! spec=Noesy, no=982, id=979, vol=1.623880e+05
assign (segid "   A" and resid    6 and name   HE) (segid "   A" and resid    1 and name   HA) 4.294 2.305 2.305 weight 1.000 ! spec=Noesy, no=983, id=980, vol=1.283005e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   13 and name  HB2) 3.930 1.931 1.931 weight 1.000 ! spec=Noesy, no=984, id=981, vol=2.983792e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   13 and name  HB2) 3.755 1.763 1.763 weight 1.000 ! spec=Noesy, no=985, id=982, vol=3.534638e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   48 and name  HA2) 4.399 2.419 2.419 weight 1.000 ! spec=Noesy, no=986, id=983, vol=1.371482e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   24 and name   HA) 4.564 2.604 2.604 weight 1.000 ! spec=Noesy, no=987, id=984, vol=1.156608e+05
assign (segid "   A" and resid    6 and name   HE) (segid "   A" and resid   13 and name  HB1) 3.994 1.994 1.994 weight 1.000 ! spec=Noesy, no=988, id=985, vol=1.536608e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   13 and name  HB1) 4.405 2.426 2.426 weight 1.000 ! spec=Noesy, no=990, id=987, vol=1.458108e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   13 and name  HB1) 4.760 2.832 2.832 weight 1.000 ! spec=Noesy, no=991, id=988, vol=8.309075e+04
assign (segid "   A" and resid   20 and name  HE3) (segid "   A" and resid   13 and name  HB1) 3.885 1.886 1.886 weight 1.000 ! spec=Noesy, no=992, id=989, vol=2.710395e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid   11 and name  HB2) 4.079 2.080 2.080 weight 1.000 ! spec=Noesy, no=993, id=990, vol=2.246870e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   11 and name  HB2) 3.742 1.751 1.751 weight 1.000 ! spec=Noesy, no=994, id=991, vol=3.739478e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   11 and name  HB2) 4.695 2.756 2.756 weight 1.000 ! spec=Noesy, no=995, id=992, vol=1.040068e+05
assign (segid "   A" and resid   17 and name HD21) (segid "   A" and resid   50 and name   HA) 3.951 1.951 1.951 weight 1.000 ! spec=Noesy, no=998, id=995, vol=2.240090e+05
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   50 and name   HA) 3.844 1.847 1.847 weight 1.000 ! spec=Noesy, no=999, id=996, vol=3.411952e+05
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   50 and name   HA)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   47 and name  HD1) 3.922 1.923 1.923 weight 1.000 ! spec=Noesy, no=1002, id=999, vol=2.815965e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   47 and name  HD1) 4.623 2.671 2.671 weight 1.000 ! spec=Noesy, no=1004, id=1001, vol=1.063920e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   47 and name  HD1) 4.124 2.126 2.126 weight 1.000 ! spec=Noesy, no=1005, id=1002, vol=2.283998e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   47 and name  HD1) 3.929 1.930 1.930 weight 1.000 ! spec=Noesy, no=1006, id=1003, vol=2.968748e+05
assign (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   15 and name   HA) 4.554 2.593 2.593 weight 1.000 ! spec=Noesy, no=1008, id=1005, vol=9.552025e+04
assign (segid "   A" and resid   18 and name   HE) (segid "   A" and resid   15 and name   HA) 4.071 2.072 2.072 weight 1.000 ! spec=Noesy, no=1009, id=1006, vol=2.302248e+05
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   47 and name  HD1) 4.341 2.355 2.355 weight 1.000 ! spec=Noesy, no=1010, id=1007, vol=1.145705e+05
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   47 and name  HD1)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   23 and name   HA) 4.161 2.164 2.164 weight 1.000 ! spec=Noesy, no=1012, id=1009, vol=2.132468e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    7 and name  HB2) 4.388 2.406 2.406 weight 1.000 ! spec=Noesy, no=1013, id=1010, vol=1.257735e+05
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   23 and name   HA) 4.246 2.253 2.253 weight 1.000 ! spec=Noesy, no=1014, id=1011, vol=1.570000e+05
assign (segid "   A" and resid   43 and name   HE) (segid "   A" and resid   23 and name   HA) 4.360 2.376 2.376 weight 1.000 ! spec=Noesy, no=1015, id=1012, vol=1.443322e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   14 and name  HB1) 4.016 2.016 2.016 weight 1.000 ! spec=Noesy, no=1016, id=1013, vol=2.439825e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   14 and name  HB1) 4.089 2.090 2.090 weight 1.000 ! spec=Noesy, no=1017, id=1014, vol=2.063955e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   31 and name   HB) 3.756 1.763 1.763 weight 1.000 ! spec=Noesy, no=1018, id=1015, vol=3.461212e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   31 and name   HB) 4.754 2.825 2.825 weight 1.000 ! spec=Noesy, no=1019, id=1016, vol=8.364375e+04
assign (segid "   A" and resid   26 and name   HZ) (segid "   A" and resid   26 and name  HB2) 4.167 2.171 2.171 weight 1.000 ! spec=Noesy, no=1020, id=1017, vol=1.965115e+05
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   26 and name  HB2) 4.132 2.135 2.135 weight 1.000 ! spec=Noesy, no=1021, id=1018, vol=2.357498e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   23 and name  HD1) 3.921 1.921 1.921 weight 1.000 ! spec=Noesy, no=1023, id=1020, vol=2.891062e+05
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   23 and name  HD1) 3.919 1.920 1.920 weight 1.000 ! spec=Noesy, no=1024, id=1021, vol=2.439262e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   19 and name  HA2) 4.257 2.265 2.265 weight 1.000 ! spec=Noesy, no=1025, id=1022, vol=1.721362e+05
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   19 and name  HA2) 3.789 1.794 1.794 weight 1.000 ! spec=Noesy, no=1026, id=1023, vol=3.596295e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   19 and name  HA2) 4.483 2.512 2.512 weight 1.000 ! spec=Noesy, no=1027, id=1024, vol=1.155972e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name  HA2) 3.791 1.797 1.797 weight 1.000 ! spec=Noesy, no=1028, id=1025, vol=3.710212e+05
assign (segid "   A" and resid   46 and name   HE) (segid "   A" and resid   19 and name  HA2) 3.867 1.869 1.869 weight 1.000 ! spec=Noesy, no=1029, id=1026, vol=3.147658e+05
assign (segid "   A" and resid   17 and name HD22) (segid "   A" and resid   19 and name  HA2) 4.616 2.663 2.663 weight 1.000 ! spec=Noesy, no=1030, id=1027, vol=1.129520e+05
assign (segid "   A" and resid   20 and name  HZ3) (segid "   A" and resid   12 and name  HB1) 4.051 2.051 2.051 weight 1.000 ! spec=Noesy, no=1031, id=1028, vol=2.265532e+05
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   12 and name  HB1) 4.735 2.803 2.803 weight 1.000 ! spec=Noesy, no=1032, id=1029, vol=8.517300e+04
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   12 and name  HB1) 4.566 2.606 2.606 weight 1.000 ! spec=Noesy, no=1033, id=1030, vol=1.209890e+05
assign (segid "   A" and resid   20 and name  HH2) (segid "   A" and resid   12 and name  HB1) 4.362 2.379 2.379 weight 1.000 ! spec=Noesy, no=1034, id=1031, vol=1.435378e+05
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   33 and name  HB1) 3.980 1.980 1.980 weight 1.000 ! spec=Noesy, no=1035, id=1032, vol=2.134238e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HD2) 3.740 1.748 1.748 weight 1.000 ! spec=Noesy, no=1036, id=1033, vol=4.034322e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    9 and name  HB2) 4.294 2.305 2.305 weight 1.000 ! spec=Noesy, no=1037, id=1034, vol=1.590252e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   42 and name  HB1) 4.728 2.794 2.794 weight 1.000 ! spec=Noesy, no=1038, id=1035, vol=8.791375e+04
assign (segid "   A" and resid    2 and name  HE1) (segid "   A" and resid   18 and name  HD1) 4.453 2.479 2.479 weight 1.000 ! spec=Noesy, no=1040, id=1037, vol=1.089535e+05
    or (segid "   A" and resid    2 and name  HE2) (segid "   A" and resid   18 and name  HD1)
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   30 and name  HB2) 4.809 2.891 2.891 weight 1.000 ! spec=Noesy, no=1046, id=1043, vol=8.352100e+04
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   30 and name  HB2) 4.333 2.347 2.347 weight 1.000 ! spec=Noesy, no=1047, id=1044, vol=1.641415e+05
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   21 and name  HB1) 4.307 2.319 2.319 weight 1.000 ! spec=Noesy, no=1048, id=1045, vol=1.603502e+05
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   21 and name  HB1) 4.143 2.146 2.146 weight 1.000 ! spec=Noesy, no=1049, id=1046, vol=2.066395e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   21 and name  HB1) 4.224 2.230 2.230 weight 1.000 ! spec=Noesy, no=1050, id=1047, vol=1.734735e+05
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   21 and name  HB1) 3.796 1.801 1.801 weight 1.000 ! spec=Noesy, no=1051, id=1048, vol=2.943565e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name  HB2) 4.816 2.899 2.899 weight 1.000 ! spec=Noesy, no=1053, id=1049, vol=7.131925e+04
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   12 and name  HB2) 4.247 2.254 2.254 weight 1.000 ! spec=Noesy, no=1054, id=1050, vol=1.777428e+05
assign (segid "   A" and resid   20 and name  HZ3) (segid "   A" and resid   12 and name  HB2) 3.935 1.936 1.936 weight 1.000 ! spec=Noesy, no=1055, id=1051, vol=2.921118e+05
assign (segid "   A" and resid   20 and name  HH2) (segid "   A" and resid   12 and name  HB2) 4.172 2.175 2.175 weight 1.000 ! spec=Noesy, no=1056, id=1052, vol=1.810370e+05
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   20 and name  HB2) 3.904 1.905 1.905 weight 1.000 ! spec=Noesy, no=1060, id=1056, vol=2.650575e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   44 and name  HB2) 4.311 2.323 2.323 weight 1.000 ! spec=Noesy, no=1061, id=1057, vol=1.590250e+05
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   42 and name  HB2) 3.988 1.988 1.988 weight 1.000 ! spec=Noesy, no=1062, id=1058, vol=2.729812e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   36 and name  HB2) 4.062 2.063 2.063 weight 1.000 ! spec=Noesy, no=1064, id=1060, vol=2.327320e+05
assign (segid "   A" and resid   35 and name HD22) (segid "   A" and resid   44 and name  HB2) 4.622 2.671 2.671 weight 1.000 ! spec=Noesy, no=1065, id=1061, vol=5.600625e+04
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   42 and name  HB2) 4.524 2.558 2.558 weight 1.000 ! spec=Noesy, no=1066, id=1062, vol=1.045372e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   43 and name  HD2) 3.889 1.890 1.890 weight 1.000 ! spec=Noesy, no=1067, id=1063, vol=3.129082e+05
assign (segid "   A" and resid   33 and name  HZ2) (segid "   A" and resid   43 and name  HD1) 3.868 1.870 1.870 weight 1.000 ! spec=Noesy, no=1068, id=1064, vol=3.335748e+05
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   33 and name  HB2) 4.040 2.040 2.040 weight 1.000 ! spec=Noesy, no=1069, id=1065, vol=2.517045e+05
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   33 and name  HB2)
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   46 and name  HD1) 4.209 2.214 2.214 weight 1.000 ! spec=Noesy, no=1070, id=1066, vol=1.832160e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name  HB1) 3.854 1.856 1.856 weight 1.000 ! spec=Noesy, no=1071, id=1067, vol=3.239650e+05
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   44 and name  HB1) 4.354 2.370 2.370 weight 1.000 ! spec=Noesy, no=1072, id=1068, vol=1.464972e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   44 and name  HB1) 3.953 1.953 1.953 weight 1.000 ! spec=Noesy, no=1073, id=1069, vol=3.041035e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   45 and name  HB2) 4.630 2.679 2.679 weight 1.000 ! spec=Noesy, no=1074, id=1070, vol=8.933450e+04
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   45 and name  HB2) 3.788 1.794 1.794 weight 1.000 ! spec=Noesy, no=1075, id=1071, vol=3.643475e+05
assign (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   21 and name  HB2) 3.948 1.949 1.949 weight 1.000 ! spec=Noesy, no=1076, id=1072, vol=2.335150e+05
assign (segid "   A" and resid   20 and name  HE3) (segid "   A" and resid   20 and name  HB1) 4.573 2.614 2.614 weight 1.000 ! spec=Noesy, no=1077, id=1073, vol=1.006078e+05
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   14 and name  HB2) 4.127 2.129 2.129 weight 1.000 ! spec=Noesy, no=1078, id=1074, vol=2.216295e+05
assign (segid "   A" and resid   35 and name HD22) (segid "   A" and resid   14 and name  HB2) 4.387 2.406 2.406 weight 1.000 ! spec=Noesy, no=1079, id=1075, vol=1.386432e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   45 and name  HB1) 4.375 2.392 2.392 weight 1.000 ! spec=Noesy, no=1080, id=1076, vol=1.473725e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   45 and name  HB1) 4.505 2.537 2.537 weight 1.000 ! spec=Noesy, no=1081, id=1077, vol=1.580560e+05
assign (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   45 and name  HB1) 4.744 2.814 2.814 weight 1.000 ! spec=Noesy, no=1082, id=1078, vol=8.015525e+04
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   45 and name  HB1) 4.799 2.879 2.879 weight 1.000 ! spec=Noesy, no=1083, id=1079, vol=2.639375e+04
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   45 and name  HB1)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name  HB2) 4.020 2.020 2.020 weight 1.000 ! spec=Noesy, no=1084, id=1080, vol=2.562285e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    8 and name  HB2) 3.867 1.869 1.869 weight 1.000 ! spec=Noesy, no=1085, id=1081, vol=3.301772e+05
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid    8 and name  HB2) 4.100 2.102 2.102 weight 1.000 ! spec=Noesy, no=1086, id=1082, vol=2.338755e+05
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid    8 and name  HB2)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    8 and name  HB2) 4.312 2.324 2.324 weight 1.000 ! spec=Noesy, no=1087, id=1083, vol=1.574680e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name  HB1) 4.489 2.519 2.519 weight 1.000 ! spec=Noesy, no=1088, id=1084, vol=1.178988e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   16 and name  HB1) 3.814 1.818 1.818 weight 1.000 ! spec=Noesy, no=1089, id=1085, vol=3.686155e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   39 and name  HB2) 4.413 2.435 2.435 weight 1.000 ! spec=Noesy, no=1090, id=1086, vol=1.418408e+05
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   39 and name  HB2) 3.824 1.828 1.828 weight 1.000 ! spec=Noesy, no=1091, id=1087, vol=3.362598e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   39 and name  HB2) 4.762 2.834 2.834 weight 1.000 ! spec=Noesy, no=1092, id=1088, vol=8.213800e+04
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   39 and name  HB2) 4.360 2.377 2.377 weight 1.000 ! spec=Noesy, no=1093, id=1089, vol=1.280605e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   39 and name  HB2) 3.846 3.846 2.154 weight 1.000 ! spec=Noesy, no=1094, id=1090, vol=3.239925e+05
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   39 and name  HB2) 4.489 2.518 2.518 weight 1.000 ! spec=Noesy, no=1095, id=1091, vol=1.138858e+05
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   39 and name  HB2)
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   39 and name  HB2) 3.948 1.948 1.948 weight 1.000 ! spec=Noesy, no=1096, id=1092, vol=2.873952e+05
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   39 and name  HB2)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   26 and name  HB1) 3.804 1.809 1.809 weight 1.000 ! spec=Noesy, no=1097, id=1093, vol=3.726610e+05
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   26 and name  HB1) 4.040 2.040 2.040 weight 1.000 ! spec=Noesy, no=1098, id=1094, vol=2.624645e+05
assign (segid "   A" and resid   26 and name   HZ) (segid "   A" and resid   26 and name  HB1) 4.505 2.537 2.537 weight 1.000 ! spec=Noesy, no=1099, id=1095, vol=1.162792e+05
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   32 and name  HB2) 3.834 1.838 1.838 weight 1.000 ! spec=Noesy, no=1100, id=1096, vol=3.208590e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   25 and name  HB2) 3.890 1.892 1.892 weight 1.000 ! spec=Noesy, no=1101, id=1097, vol=2.906635e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   32 and name  HB2) 3.904 1.906 1.906 weight 1.000 ! spec=Noesy, no=1102, id=1098, vol=3.250135e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   32 and name  HB2) 4.076 2.077 2.077 weight 1.000 ! spec=Noesy, no=1103, id=1099, vol=1.873835e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   32 and name  HB2) 3.833 1.837 1.837 weight 1.000 ! spec=Noesy, no=1104, id=1100, vol=3.716465e+05
assign (segid "   A" and resid   46 and name   HE) (segid "   A" and resid   32 and name  HB2) 3.936 1.936 1.936 weight 1.000 ! spec=Noesy, no=1105, id=1101, vol=2.837400e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   38 and name   HB) 4.365 2.382 2.382 weight 1.000 ! spec=Noesy, no=1107, id=1103, vol=1.405172e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   10 and name  HB1) 4.536 2.571 2.571 weight 1.000 ! spec=Noesy, no=1112, id=1107, vol=1.146362e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   47 and name  HG2) 4.161 2.164 2.164 weight 1.000 ! spec=Noesy, no=1113, id=1108, vol=2.022405e+05
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   35 and name  HB1) 4.448 2.473 2.473 weight 1.000 ! spec=Noesy, no=1114, id=1109, vol=1.415072e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   35 and name  HB1) 3.976 1.976 1.976 weight 1.000 ! spec=Noesy, no=1115, id=1110, vol=2.307710e+05
assign (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   47 and name  HG2) 4.522 2.556 2.556 weight 1.000 ! spec=Noesy, no=1116, id=1111, vol=1.016832e+05
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   35 and name  HB1) 4.261 2.269 2.269 weight 1.000 ! spec=Noesy, no=1118, id=1113, vol=1.779122e+05
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   35 and name  HB1)
assign (segid "   A" and resid   46 and name   HE) (segid "   A" and resid   47 and name  HG2) 4.334 2.347 2.347 weight 1.000 ! spec=Noesy, no=1119, id=1114, vol=1.508190e+05
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   47 and name  HG2) 4.646 2.698 2.698 weight 1.000 ! spec=Noesy, no=1120, id=1115, vol=1.234562e+05
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   47 and name  HG2)
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   29 and name  HB1) 4.146 2.148 2.148 weight 1.000 ! spec=Noesy, no=1121, id=1116, vol=2.121852e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   18 and name  HB1) 4.336 2.350 2.350 weight 1.000 ! spec=Noesy, no=1122, id=1117, vol=1.448308e+05
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   47 and name  HB1) 4.274 2.283 2.283 weight 1.000 ! spec=Noesy, no=1125, id=1120, vol=1.653165e+05
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   29 and name  HG2) 4.344 2.358 2.358 weight 1.000 ! spec=Noesy, no=1126, id=1121, vol=1.443300e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name  HG2) 4.752 2.823 2.823 weight 1.000 ! spec=Noesy, no=1127, id=1122, vol=9.868225e+04
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   32 and name  HB1) 3.896 1.898 1.898 weight 1.000 ! spec=Noesy, no=1128, id=1123, vol=3.088938e+05
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   32 and name  HB1) 4.639 2.690 2.690 weight 1.000 ! spec=Noesy, no=1129, id=1124, vol=7.757100e+04
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   32 and name  HB1)
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   32 and name  HB1) 4.100 2.102 2.102 weight 1.000 ! spec=Noesy, no=1130, id=1125, vol=2.068330e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   32 and name  HB1) 4.078 2.079 2.079 weight 1.000 ! spec=Noesy, no=1131, id=1126, vol=2.379878e+05
assign (segid "   A" and resid   46 and name   HE) (segid "   A" and resid   32 and name  HB1) 3.870 1.872 1.872 weight 1.000 ! spec=Noesy, no=1132, id=1127, vol=3.309900e+05
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   23 and name  HG1) 3.754 1.762 1.762 weight 1.000 ! spec=Noesy, no=1133, id=1128, vol=3.528748e+05
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   23 and name  HG1)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   18 and name  HB2) 4.636 2.686 2.686 weight 1.000 ! spec=Noesy, no=1134, id=1129, vol=9.129525e+04
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   18 and name  HB2) 3.935 1.936 1.936 weight 1.000 ! spec=Noesy, no=1135, id=1130, vol=2.879678e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB2) 3.983 1.983 1.983 weight 1.000 ! spec=Noesy, no=1136, id=1131, vol=2.438065e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   18 and name  HG2) 3.909 1.910 1.910 weight 1.000 ! spec=Noesy, no=1137, id=1132, vol=3.065595e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   29 and name  HG1) 4.343 2.358 2.358 weight 1.000 ! spec=Noesy, no=1138, id=1133, vol=1.548890e+05
assign (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   29 and name  HG1) 3.872 1.875 1.875 weight 1.000 ! spec=Noesy, no=1139, id=1134, vol=2.716038e+05
assign (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   29 and name  HG1) 4.020 2.020 2.020 weight 1.000 ! spec=Noesy, no=1140, id=1135, vol=2.607250e+05
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   29 and name  HG1)
assign (segid "   A" and resid    4 and name   HE) (segid "   A" and resid    6 and name  HB1) 4.474 2.502 2.502 weight 1.000 ! spec=Noesy, no=1141, id=1136, vol=1.366465e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    6 and name  HB1) 3.871 1.873 1.873 weight 1.000 ! spec=Noesy, no=1142, id=1137, vol=3.154590e+05
assign (segid "   A" and resid    6 and name   HE) (segid "   A" and resid    6 and name  HB1) 4.080 2.081 2.081 weight 1.000 ! spec=Noesy, no=1143, id=1138, vol=2.083065e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   46 and name  HB2) 4.206 2.211 2.211 weight 1.000 ! spec=Noesy, no=1144, id=1139, vol=2.071848e+05
assign (segid "   A" and resid    6 and name   HE) (segid "   A" and resid    6 and name  HG1) 3.873 1.875 1.875 weight 1.000 ! spec=Noesy, no=1152, id=1147, vol=3.245520e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    4 and name  HG1) 4.581 2.623 2.623 weight 1.000 ! spec=Noesy, no=1153, id=1148, vol=9.147900e+04
assign (segid "   A" and resid    6 and name   HE) (segid "   A" and resid    6 and name  HG2) 3.889 1.890 1.890 weight 1.000 ! spec=Noesy, no=1154, id=1149, vol=3.278138e+05
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   29 and name  HB2) 4.314 2.327 2.327 weight 1.000 ! spec=Noesy, no=1158, id=1153, vol=1.672312e+05
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   29 and name  HB2) 4.318 2.330 2.330 weight 1.000 ! spec=Noesy, no=1159, id=1154, vol=1.458575e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   43 and name  HG1) 3.991 1.991 1.991 weight 1.000 ! spec=Noesy, no=1160, id=1155, vol=2.566425e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   43 and name  HG1) 4.327 2.341 2.341 weight 1.000 ! spec=Noesy, no=1161, id=1156, vol=1.560428e+05
assign (segid "   A" and resid   33 and name  HH2) (segid "   A" and resid   43 and name  HG1) 4.352 2.368 2.368 weight 1.000 ! spec=Noesy, no=1162, id=1157, vol=1.487102e+05
assign (segid "   A" and resid   33 and name  HZ3) (segid "   A" and resid   43 and name  HG1) 4.820 2.905 2.905 weight 1.000 ! spec=Noesy, no=1163, id=1158, vol=6.832525e+04
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   43 and name  HG1) 4.632 2.682 2.682 weight 1.000 ! spec=Noesy, no=1164, id=1159, vol=9.425475e+04
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   43 and name  HG1)
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   43 and name  HG1) 4.351 2.366 2.366 weight 1.000 ! spec=Noesy, no=1165, id=1160, vol=1.311298e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   22 and name  HB2) 4.009 2.009 2.009 weight 1.000 ! spec=Noesy, no=1167, id=1162, vol=2.821140e+05
assign (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   22 and name  HB2) 4.268 2.276 2.276 weight 1.000 ! spec=Noesy, no=1168, id=1163, vol=1.833328e+05
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   22 and name  HB2)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   46 and name  HG1) 4.667 2.723 2.723 weight 1.000 ! spec=Noesy, no=1169, id=1164, vol=9.657350e+04
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   46 and name  HG1) 4.014 2.014 2.014 weight 1.000 ! spec=Noesy, no=1175, id=1170, vol=2.331625e+05
assign (segid "   A" and resid   35 and name HD22) (segid "   A" and resid   46 and name  HG1) 4.356 2.372 2.372 weight 1.000 ! spec=Noesy, no=1176, id=1171, vol=1.388208e+05
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   46 and name  HG1) 3.758 1.766 1.766 weight 1.000 ! spec=Noesy, no=1177, id=1172, vol=3.377602e+05
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   46 and name  HG1)
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   46 and name  HG2) 4.097 2.098 2.098 weight 1.000 ! spec=Noesy, no=1178, id=1173, vol=2.242828e+05
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   46 and name  HG2)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   15 and name  HB3) 3.904 1.906 1.906 weight 1.000 ! spec=Noesy, no=1179, id=1174, vol=3.241045e+05
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   15 and name  HB3) 4.253 2.261 2.261 weight 1.000 ! spec=Noesy, no=1180, id=1175, vol=1.634405e+05
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid   15 and name  HB3) 4.635 2.685 2.685 weight 1.000 ! spec=Noesy, no=1181, id=1176, vol=8.668075e+04
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid   15 and name  HB1)
    or (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid   15 and name  HB3)
    or (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   15 and name  HB3) 4.498 2.529 2.529 weight 1.000 ! spec=Noesy, no=1182, id=1177, vol=1.061010e+05
    or (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   15 and name  HB3) 4.151 2.154 2.154 weight 1.000 ! spec=Noesy, no=1183, id=1178, vol=1.919968e+05
    or (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   15 and name  HB1)
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   15 and name  HB3)
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   15 and name  HB3) 4.364 2.380 2.380 weight 1.000 ! spec=Noesy, no=1184, id=1179, vol=1.309175e+05
    or (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   22 and name  HB1) 3.903 3.903 2.097 weight 1.000 ! spec=Noesy, no=1185, id=1180, vol=2.714695e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   22 and name  HB1) 4.276 2.285 2.285 weight 1.000 ! spec=Noesy, no=1186, id=1181, vol=1.656370e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name  HB1) 4.522 2.556 2.556 weight 1.000 ! spec=Noesy, no=1187, id=1182, vol=1.205220e+05
assign (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   22 and name  HB1) 4.026 2.026 2.026 weight 1.000 ! spec=Noesy, no=1188, id=1183, vol=2.651232e+05
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   22 and name  HB1)
assign (segid "   A" and resid   26 and name   HZ) (segid "   A" and resid   22 and name  HB1) 4.396 2.416 2.416 weight 1.000 ! spec=Noesy, no=1189, id=1184, vol=1.384305e+05
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   22 and name  HB1) 4.122 2.124 2.124 weight 1.000 ! spec=Noesy, no=1190, id=1185, vol=2.049090e+05
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   22 and name  HB1)
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   22 and name  HB1) 4.039 2.040 2.040 weight 1.000 ! spec=Noesy, no=1191, id=1186, vol=2.561448e+05
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   22 and name  HB1)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   24 and name HG23) 4.143 2.146 2.146 weight 1.000 ! spec=Noesy, no=1192, id=1187, vol=2.262495e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   24 and name HG21)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   24 and name HG22)
assign (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   24 and name HG23) 4.140 2.142 2.142 weight 1.000 ! spec=Noesy, no=1193, id=1188, vol=2.016948e+05
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   24 and name HG21)
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   24 and name HG22)
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   24 and name HG23)
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   24 and name HG21)
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   24 and name HG22)
assign (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   24 and name HG23) 4.173 2.177 2.177 weight 1.000 ! spec=Noesy, no=1194, id=1189, vol=1.996410e+05
    or (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   24 and name HG21)
    or (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   24 and name HG22)
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   24 and name HG23)
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   24 and name HG21)
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   24 and name HG22)
assign (segid "   A" and resid   43 and name   HE) (segid "   A" and resid   24 and name HG23) 4.106 2.107 2.107 weight 1.000 ! spec=Noesy, no=1195, id=1190, vol=1.958892e+05
    or (segid "   A" and resid   43 and name   HE) (segid "   A" and resid   24 and name HG21)
    or (segid "   A" and resid   43 and name   HE) (segid "   A" and resid   24 and name HG22)
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   24 and name HG23) 4.834 2.921 2.921 weight 1.000 ! spec=Noesy, no=1196, id=1191, vol=6.786325e+04
    or (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   24 and name HG21)
    or (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   24 and name HG22)
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   24 and name HG23)
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   24 and name HG21)
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   24 and name HG22)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   38 and name HG23) 4.389 2.408 2.408 weight 1.000 ! spec=Noesy, no=1197, id=1192, vol=1.415582e+05
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   38 and name HG23) 4.050 2.050 2.050 weight 1.000 ! spec=Noesy, no=1198, id=1193, vol=2.436378e+05
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   38 and name HG23) 4.842 2.931 2.931 weight 1.000 ! spec=Noesy, no=1199, id=1194, vol=7.936075e+04
    or (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   38 and name HG23) 4.507 2.539 2.539 weight 1.000 ! spec=Noesy, no=1200, id=1195, vol=1.245740e+05
    or (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   38 and name HG23) 3.930 1.931 1.931 weight 1.000 ! spec=Noesy, no=1201, id=1196, vol=3.116120e+05
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   38 and name HG13) 3.873 1.875 1.875 weight 1.000 ! spec=Noesy, no=1202, id=1197, vol=3.345888e+05
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   38 and name HG11)
assign (segid "   A" and resid   35 and name HD22) (segid "   A" and resid   38 and name HG13) 4.667 2.723 2.723 weight 1.000 ! spec=Noesy, no=1203, id=1198, vol=1.036835e+05
    or (segid "   A" and resid   35 and name HD22) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   35 and name HD22) (segid "   A" and resid   38 and name HG11)
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid    5 and name HG23) 4.431 2.454 2.454 weight 1.000 ! spec=Noesy, no=1204, id=1199, vol=1.478880e+05
    or (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid    5 and name HG21)
    or (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid    5 and name HG22)
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid    5 and name HG23)
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid    5 and name HG21)
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid    5 and name HG22)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    5 and name HD13) 4.785 2.862 2.862 weight 1.000 ! spec=Noesy, no=1205, id=1200, vol=7.828275e+04
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    5 and name HD11)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    5 and name HD12)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   31 and name HG22) 4.721 2.786 2.786 weight 1.000 ! spec=Noesy, no=1206, id=1201, vol=9.470875e+04
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   31 and name HG22) 4.240 2.248 2.248 weight 1.000 ! spec=Noesy, no=1207, id=1202, vol=1.767975e+05
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   31 and name HG22) 4.297 2.308 2.308 weight 1.000 ! spec=Noesy, no=1208, id=1203, vol=1.495685e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   31 and name HG22) 3.819 1.824 1.824 weight 1.000 ! spec=Noesy, no=1209, id=1204, vol=3.541522e+05
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   31 and name HG22) 3.975 1.975 1.975 weight 1.000 ! spec=Noesy, no=1210, id=1205, vol=2.604618e+05
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   31 and name HG22) 3.716 1.726 1.726 weight 1.000 ! spec=Noesy, no=1211, id=1206, vol=3.897598e+05
    or (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   31 and name HG23)
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   31 and name HG22)
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   31 and name HG22) 4.208 2.213 2.213 weight 1.000 ! spec=Noesy, no=1212, id=1207, vol=1.742948e+05
    or (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   31 and name HG23)
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   31 and name HG22)
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   31 and name HG22) 4.370 2.387 2.387 weight 1.000 ! spec=Noesy, no=1213, id=1208, vol=1.615130e+05
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   36 and name   HA) 4.172 2.176 2.176 weight 1.000 ! spec=Noesy, no=1214, id=1209, vol=1.943278e+05
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   14 and name  HB1) 4.557 2.595 2.595 weight 1.000 ! spec=Noesy, no=1215, id=1210, vol=1.104858e+05
assign (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   33 and name  HB1) 4.062 2.062 2.062 weight 1.000 ! spec=Noesy, no=1216, id=1211, vol=2.180288e+05
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   42 and name  HB1) 3.808 1.813 1.813 weight 1.000 ! spec=Noesy, no=1217, id=1212, vol=3.829585e+05
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   39 and name  HB2) 4.368 2.385 2.385 weight 1.000 ! spec=Noesy, no=1218, id=1213, vol=1.863458e+05
assign (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   43 and name  HG1) 4.282 2.292 2.292 weight 1.000 ! spec=Noesy, no=1221, id=1216, vol=1.804085e+05
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   22 and name  HB1) 3.775 1.781 1.781 weight 1.000 ! spec=Noesy, no=1222, id=1217, vol=4.060408e+05
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   21 and name   HN) 3.869 1.871 1.871 weight 1.000 ! spec=Noesy, no=1223, id=1218, vol=2.692798e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name   HN) 3.811 1.815 1.815 weight 1.000 ! spec=Noesy, no=1224, id=1219, vol=3.697982e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   42 and name   HN) 4.361 2.378 2.378 weight 1.000 ! spec=Noesy, no=1225, id=1220, vol=1.543770e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name   HN) 3.725 1.734 1.734 weight 1.000 ! spec=Noesy, no=1226, id=1221, vol=3.825575e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   14 and name   HN) 3.805 1.810 1.810 weight 1.000 ! spec=Noesy, no=1227, id=1222, vol=3.631212e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   18 and name   HN) 4.315 2.327 2.327 weight 1.000 ! spec=Noesy, no=1228, id=1223, vol=1.538592e+05
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   20 and name  HZ2) 4.434 2.458 2.458 weight 1.000 ! spec=Noesy, no=1229, id=1224, vol=1.170482e+05
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   36 and name   HN) 4.307 2.319 2.319 weight 1.000 ! spec=Noesy, no=1230, id=1225, vol=1.409478e+05
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   34 and name  HD1) 3.764 1.771 1.771 weight 1.000 ! spec=Noesy, no=1232, id=1227, vol=3.302608e+05
    or (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   34 and name  HD2)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   38 and name   HN) 4.578 2.620 2.620 weight 1.000 ! spec=Noesy, no=1233, id=1228, vol=1.101308e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   20 and name  HD1) 4.287 2.297 2.297 weight 1.000 ! spec=Noesy, no=1234, id=1229, vol=1.738718e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HD1) 3.937 1.937 1.937 weight 1.000 ! spec=Noesy, no=1235, id=1230, vol=2.979995e+05
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   42 and name  HE2) 4.507 2.540 2.540 weight 1.000 ! spec=Noesy, no=1236, id=1231, vol=9.529325e+04
    or (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   42 and name  HE1)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   42 and name  HE2) 4.421 2.443 2.443 weight 1.000 ! spec=Noesy, no=1237, id=1232, vol=1.524485e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   42 and name  HE1)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   24 and name   HN) 4.261 2.270 2.270 weight 1.000 ! spec=Noesy, no=1238, id=1233, vol=1.771448e+05
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   31 and name   HN) 3.729 1.738 1.738 weight 1.000 ! spec=Noesy, no=1239, id=1234, vol=3.269748e+05
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   33 and name  HH2) 3.525 1.553 1.553 weight 1.000 ! spec=Noesy, no=1240, id=1235, vol=4.407240e+05
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   16 and name   HN) 4.561 2.601 2.601 weight 1.000 ! spec=Noesy, no=1241, id=1236, vol=1.249535e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   17 and name   HN) 3.922 1.923 1.923 weight 1.000 ! spec=Noesy, no=1242, id=1237, vol=2.909325e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   19 and name   HN) 3.994 1.994 1.994 weight 1.000 ! spec=Noesy, no=1243, id=1238, vol=2.583230e+05
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   34 and name   HN) 3.946 1.946 1.946 weight 1.000 ! spec=Noesy, no=1244, id=1239, vol=2.610312e+05
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   38 and name   HN) 4.788 2.866 2.866 weight 1.000 ! spec=Noesy, no=1245, id=1240, vol=8.378625e+04
assign (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   28 and name  HD2) 3.944 1.945 1.945 weight 1.000 ! spec=Noesy, no=1247, id=1242, vol=2.692420e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HD2) 3.983 1.983 1.983 weight 1.000 ! spec=Noesy, no=1248, id=1243, vol=2.739168e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid   20 and name  HH2) 4.822 2.907 2.907 weight 1.000 ! spec=Noesy, no=1249, id=1244, vol=8.861750e+04
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HH2) 4.554 2.593 2.593 weight 1.000 ! spec=Noesy, no=1250, id=1245, vol=1.133052e+05
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   26 and name   HZ) 4.123 2.125 2.125 weight 1.000 ! spec=Noesy, no=1251, id=1246, vol=2.194722e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name   HE) 4.028 2.028 2.028 weight 1.000 ! spec=Noesy, no=1252, id=1247, vol=2.553565e+05
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name   HE) 4.496 2.527 2.527 weight 1.000 ! spec=Noesy, no=1253, id=1248, vol=1.050142e+05
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   33 and name  HZ3) 4.839 2.927 2.927 weight 1.000 ! spec=Noesy, no=1254, id=1249, vol=8.345650e+04
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid    2 and name  HD1) 4.586 2.629 2.629 weight 1.000 ! spec=Noesy, no=1255, id=1250, vol=1.066498e+05
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid    2 and name  HD2)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name  HD1) 4.271 2.280 2.280 weight 1.000 ! spec=Noesy, no=1256, id=1251, vol=1.715142e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name  HD2)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HD1) 4.023 2.023 2.023 weight 1.000 ! spec=Noesy, no=1257, id=1252, vol=2.373350e+05
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HD2)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   26 and name  HD2) 4.170 2.174 2.174 weight 1.000 ! spec=Noesy, no=1258, id=1253, vol=2.039085e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   26 and name  HD1)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   26 and name  HD2) 4.764 2.837 2.837 weight 1.000 ! spec=Noesy, no=1259, id=1254, vol=7.832550e+04
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   26 and name  HD1)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   43 and name   HE) 4.144 2.147 2.147 weight 1.000 ! spec=Noesy, no=1260, id=1255, vol=1.991270e+05
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name   HE) 4.115 2.117 2.117 weight 1.000 ! spec=Noesy, no=1261, id=1256, vol=2.153650e+05
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   20 and name  HD1) 4.590 2.633 2.633 weight 1.000 ! spec=Noesy, no=1262, id=1257, vol=1.186658e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD21) 4.058 2.059 2.059 weight 1.000 ! spec=Noesy, no=1263, id=1258, vol=2.563728e+05
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   30 and name  HD2) 3.731 3.731 2.269 weight 1.000 ! spec=Noesy, no=1264, id=1259, vol=3.886122e+05
    or (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   42 and name  HE2) 4.451 2.477 2.477 weight 1.000 ! spec=Noesy, no=1265, id=1260, vol=1.347658e+05
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   42 and name  HE1)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   42 and name  HE2) 4.185 2.189 2.189 weight 1.000 ! spec=Noesy, no=1267, id=1262, vol=1.804845e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   42 and name  HE1)
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name  HE2) 3.930 1.931 1.931 weight 1.000 ! spec=Noesy, no=1268, id=1263, vol=2.933130e+05
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name  HE1)
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   12 and name   HN) 4.231 2.238 2.238 weight 1.000 ! spec=Noesy, no=1269, id=1264, vol=1.474495e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   42 and name  HD1) 4.071 2.071 2.071 weight 1.000 ! spec=Noesy, no=1270, id=1265, vol=2.282190e+05
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   42 and name  HD2)
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   30 and name  HE2) 3.780 1.786 1.786 weight 1.000 ! spec=Noesy, no=1271, id=1266, vol=3.785480e+05
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   30 and name  HE1)
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   30 and name  HE2) 3.831 1.835 1.835 weight 1.000 ! spec=Noesy, no=1272, id=1267, vol=3.324098e+05
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   30 and name  HE1)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HE2) 4.036 2.036 2.036 weight 1.000 ! spec=Noesy, no=1273, id=1268, vol=2.482458e+05
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HE1)
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   30 and name  HE2) 4.116 2.117 2.117 weight 1.000 ! spec=Noesy, no=1274, id=1269, vol=2.015905e+05
    or (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   30 and name  HE1)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   30 and name  HE2) 4.228 2.235 2.235 weight 1.000 ! spec=Noesy, no=1275, id=1270, vol=1.704650e+05
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   30 and name  HE1)
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   29 and name   HN) 3.823 1.826 1.826 weight 1.000 ! spec=Noesy, no=1276, id=1271, vol=3.296675e+05
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   29 and name   HN) 4.647 2.699 2.699 weight 1.000 ! spec=Noesy, no=1277, id=1272, vol=1.029190e+05
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   35 and name   HN) 4.532 2.568 2.568 weight 1.000 ! spec=Noesy, no=1278, id=1273, vol=1.128270e+05
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   33 and name  HE3) 4.645 2.697 2.697 weight 1.000 ! spec=Noesy, no=1279, id=1274, vol=9.485425e+04
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HD22) 3.873 1.875 1.875 weight 1.000 ! spec=Noesy, no=1280, id=1275, vol=3.112850e+05
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   13 and name   HN) 4.272 2.281 2.281 weight 1.000 ! spec=Noesy, no=1281, id=1276, vol=1.492918e+05
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   21 and name   HN) 4.293 2.304 2.304 weight 1.000 ! spec=Noesy, no=1282, id=1277, vol=1.501085e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   21 and name   HN) 4.191 2.195 2.195 weight 1.000 ! spec=Noesy, no=1283, id=1278, vol=1.687960e+05
assign (segid "   A" and resid   43 and name   HE) (segid "   A" and resid   36 and name HD21) 4.474 2.502 2.502 weight 1.000 ! spec=Noesy, no=1284, id=1279, vol=1.169252e+05
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   21 and name   HA) 3.929 1.930 1.930 weight 1.000 ! spec=Noesy, no=1285, id=1280, vol=2.404575e+05
assign (segid "   A" and resid   42 and name  HE2) (segid "   A" and resid   21 and name   HA) 4.004 2.004 2.004 weight 1.000 ! spec=Noesy, no=1286, id=1281, vol=2.232832e+05
    or (segid "   A" and resid   42 and name  HE1) (segid "   A" and resid   21 and name   HA)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   21 and name   HA) 4.101 2.103 2.103 weight 1.000 ! spec=Noesy, no=1287, id=1282, vol=2.154385e+05
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name  HE2) 3.871 1.873 1.873 weight 1.000 ! spec=Noesy, no=1289, id=1284, vol=2.885698e+05
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name  HE1)
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   25 and name  HB1) 3.766 1.773 1.773 weight 1.000 ! spec=Noesy, no=1291, id=1286, vol=3.660082e+05
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   30 and name  HB2) 4.740 2.809 2.809 weight 1.000 ! spec=Noesy, no=1292, id=1287, vol=8.952875e+04
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   30 and name  HB1) 4.182 2.186 2.186 weight 1.000 ! spec=Noesy, no=1293, id=1288, vol=1.988190e+05
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   45 and name  HB1) 4.358 2.374 2.374 weight 1.000 ! spec=Noesy, no=1294, id=1289, vol=1.801300e+05
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   47 and name  HB2) 3.612 1.631 1.631 weight 1.000 ! spec=Noesy, no=1295, id=1290, vol=4.878060e+05
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   48 and name  HA1) 3.759 1.767 1.767 weight 1.000 ! spec=Noesy, no=1296, id=1291, vol=3.833530e+05
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   48 and name  HA2) 3.843 1.846 1.846 weight 1.000 ! spec=Noesy, no=1297, id=1292, vol=3.344670e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   44 and name   HN) 4.138 2.140 2.140 weight 1.000 ! spec=Noesy, no=1298, id=1293, vol=2.341400e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   20 and name   HN) 4.652 2.705 2.705 weight 1.000 ! spec=Noesy, no=1299, id=1294, vol=9.920625e+04
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   31 and name   HN) 4.487 2.517 2.517 weight 1.000 ! spec=Noesy, no=1300, id=1295, vol=1.314328e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   19 and name   HN) 4.367 2.384 2.384 weight 1.000 ! spec=Noesy, no=1301, id=1296, vol=1.401308e+05
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   36 and name HD22) 3.929 1.929 1.929 weight 1.000 ! spec=Noesy, no=1302, id=1297, vol=2.885258e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   35 and name HD22) 3.400 1.445 1.445 weight 1.000 ! spec=Noesy, no=1303, id=1298, vol=7.330368e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   19 and name   HN) 4.104 2.105 2.105 weight 1.000 ! spec=Noesy, no=1304, id=1299, vol=1.464230e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   14 and name   HN) 3.589 1.610 1.610 weight 1.000 ! spec=Noesy, no=1305, id=1300, vol=4.980462e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD22) 4.133 2.135 2.135 weight 1.000 ! spec=Noesy, no=1306, id=1301, vol=2.154840e+05
assign (segid "   A" and resid   20 and name  HZ2) (segid "   A" and resid   20 and name  HZ3) 3.369 1.419 1.419 weight 1.000 ! spec=Noesy, no=1309, id=1304, vol=5.873662e+05
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   33 and name  HH2) 4.329 2.342 2.342 weight 1.000 ! spec=Noesy, no=1310, id=1305, vol=1.309282e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HD2) 4.308 2.319 2.319 weight 1.000 ! spec=Noesy, no=1311, id=1306, vol=1.467005e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name HD22) 3.788 1.794 1.794 weight 1.000 ! spec=Noesy, no=1312, id=1307, vol=3.434098e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name HD21) 4.610 2.657 2.657 weight 1.000 ! spec=Noesy, no=1313, id=1308, vol=9.819375e+04
assign (segid "   A" and resid   26 and name   HZ) (segid "   A" and resid   26 and name  HD2) 2.577 2.577 3.423 weight 1.000 ! spec=Noesy, no=1314, id=1309, vol=1.584364e+06
    or (segid "   A" and resid   26 and name   HZ) (segid "   A" and resid   26 and name  HD1)
assign (segid "   A" and resid   20 and name  HE3) (segid "   A" and resid   20 and name  HD1) 3.688 1.700 1.700 weight 1.000 ! spec=Noesy, no=1315, id=1310, vol=4.348865e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   30 and name  HE2) 3.484 3.484 2.516 weight 1.000 ! spec=Noesy, no=1316, id=1311, vol=5.339270e+05
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   30 and name  HE1)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   12 and name   HN) 3.577 1.599 1.599 weight 1.000 ! spec=Noesy, no=1317, id=1312, vol=5.245010e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   42 and name  HE2) 3.269 1.336 1.336 weight 1.000 ! spec=Noesy, no=1318, id=1313, vol=8.755485e+05
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   42 and name  HE1)
assign (segid "   A" and resid   33 and name  HH2) (segid "   A" and resid   36 and name HD21) 3.804 1.809 1.809 weight 1.000 ! spec=Noesy, no=1320, id=1315, vol=3.613700e+05
assign (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   21 and name  HB1) 4.025 2.025 2.025 weight 1.000 ! spec=Noesy, no=1321, id=1316, vol=2.368495e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   46 and name  HG2) 3.255 1.324 1.324 weight 1.000 ! spec=Noesy, no=1323, id=1318, vol=9.482508e+05
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   46 and name  HB1) 4.016 2.016 2.016 weight 1.000 ! spec=Noesy, no=1324, id=1319, vol=2.548065e+05
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   38 and name HG13) 2.556 2.556 3.444 weight 1.000 ! spec=Noesy, no=1325, id=1320, vol=3.593744e+06
    or (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   38 and name HG11)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name HD13) 3.954 1.954 1.954 weight 1.000 ! spec=Noesy, no=1326, id=1321, vol=3.473825e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name HD11)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name HD12)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   38 and name HG13) 4.310 2.322 2.322 weight 1.000 ! spec=Noesy, no=1327, id=1322, vol=1.836175e+05
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   38 and name HG11)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   10 and name  HB2) 3.603 1.623 1.623 weight 1.000 ! spec=Noesy, no=1328, id=1323, vol=5.488058e+05
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   22 and name  HB2) 3.383 1.431 1.431 weight 1.000 ! spec=Noesy, no=1329, id=1324, vol=9.139422e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name  HG1) 3.855 1.858 1.858 weight 1.000 ! spec=Noesy, no=1330, id=1325, vol=3.622878e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HG1) 3.379 1.427 1.427 weight 1.000 ! spec=Noesy, no=1331, id=1326, vol=7.705435e+05
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   29 and name  HG1) 4.276 2.285 2.285 weight 1.000 ! spec=Noesy, no=1333, id=1328, vol=1.780048e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    6 and name  HB2) 3.538 1.564 1.564 weight 1.000 ! spec=Noesy, no=1334, id=1329, vol=6.324558e+05
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   29 and name  HG2) 3.587 1.608 1.608 weight 1.000 ! spec=Noesy, no=1335, id=1330, vol=5.574895e+05
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   32 and name  HB1) 4.330 2.344 2.344 weight 1.000 ! spec=Noesy, no=1336, id=1331, vol=1.666132e+05
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   39 and name  HB2) 4.061 2.062 2.062 weight 1.000 ! spec=Noesy, no=1337, id=1332, vol=1.904880e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   14 and name  HB1) 4.854 2.945 2.945 weight 1.000 ! spec=Noesy, no=1340, id=1335, vol=1.053608e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HB2) 3.175 1.260 1.260 weight 1.000 ! spec=Noesy, no=1341, id=1336, vol=1.222221e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB1) 2.776 0.963 0.963 weight 1.000 ! spec=Noesy, no=1342, id=1337, vol=2.382191e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name  HB2) 2.721 0.925 0.925 weight 1.000 ! spec=Noesy, no=1343, id=1338, vol=2.592096e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   13 and name  HB1) 3.742 1.751 1.751 weight 1.000 ! spec=Noesy, no=1344, id=1339, vol=4.003705e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   17 and name   HA) 2.713 0.920 0.920 weight 1.000 ! spec=Noesy, no=1345, id=1340, vol=3.327642e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name   HA) 2.682 0.899 0.899 weight 1.000 ! spec=Noesy, no=1346, id=1341, vol=3.093207e+06
assign (segid "   A" and resid   33 and name  HE3) (segid "   A" and resid   34 and name   HA) 4.089 2.090 2.090 weight 1.000 ! spec=Noesy, no=1347, id=1342, vol=2.533180e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   13 and name  HB2) 4.256 2.264 2.264 weight 1.000 ! spec=Noesy, no=1348, id=1343, vol=1.749492e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name  HB1) 2.715 2.715 3.285 weight 1.000 ! spec=Noesy, no=1349, id=1344, vol=2.889918e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name  HB1) 2.542 0.808 0.808 weight 1.000 ! spec=Noesy, no=1351, id=1346, vol=4.376159e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB1) 3.442 1.481 1.481 weight 1.000 ! spec=Noesy, no=1352, id=1347, vol=6.897482e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   25 and name  HB2) 3.830 1.834 1.834 weight 1.000 ! spec=Noesy, no=1353, id=1348, vol=4.138670e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name HG13) 3.095 1.198 1.198 weight 1.000 ! spec=Noesy, no=1354, id=1349, vol=1.309602e+06
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name HG11)
assign (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   29 and name  HB2) 4.430 2.453 2.453 weight 1.000 ! spec=Noesy, no=1355, id=1350, vol=1.261540e+05
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   29 and name  HB2)
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   29 and name  HB1) 4.149 2.151 2.151 weight 1.000 ! spec=Noesy, no=1356, id=1351, vol=1.959125e+05
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   29 and name  HB1)
assign (segid "   A" and resid    2 and name  HE1) (segid "   A" and resid   19 and name  HA2) 4.550 2.588 2.588 weight 1.000 ! spec=Noesy, no=1357, id=1352, vol=1.106830e+05
    or (segid "   A" and resid    2 and name  HE2) (segid "   A" and resid   19 and name  HA2)
assign (segid "   A" and resid   20 and name  HH2) (segid "   A" and resid   13 and name  HB2) 3.067 3.067 2.933 weight 1.000 ! spec=Noesy, no=1358, id=1353, vol=1.491666e+06
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   20 and name   HA) 3.200 1.280 1.280 weight 1.000 ! spec=Noesy, no=1359, id=1354, vol=8.820880e+05
assign (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   29 and name  HB2) 3.742 3.742 2.258 weight 1.000 ! spec=Noesy, no=1360, id=1355, vol=3.798572e+05
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   29 and name  HB2)
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   38 and name HG13) 4.592 2.636 2.636 weight 1.000 ! spec=Noesy, no=1361, id=1356, vol=1.511152e+05
    or (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   38 and name HG11)
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   38 and name HG23) 4.544 2.581 2.581 weight 1.000 ! spec=Noesy, no=1362, id=1357, vol=1.656500e+05
    or (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   15 and name  HB3) 4.244 2.251 2.251 weight 1.000 ! spec=Noesy, no=1363, id=1358, vol=1.637690e+05
    or (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   29 and name  HB2) 4.251 2.259 2.259 weight 1.000 ! spec=Noesy, no=1365, id=1360, vol=1.808198e+05
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   44 and name   HA) 4.633 2.683 2.683 weight 1.000 ! spec=Noesy, no=1366, id=1361, vol=1.201030e+05
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   34 and name   HA) 4.255 2.263 2.263 weight 1.000 ! spec=Noesy, no=1367, id=1362, vol=1.767795e+05
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   39 and name   HA) 4.582 2.625 2.625 weight 1.000 ! spec=Noesy, no=1368, id=1363, vol=1.301322e+05
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   15 and name   HA) 4.370 2.387 2.387 weight 1.000 ! spec=Noesy, no=1369, id=1364, vol=1.419445e+05
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name  HB1) 3.056 1.168 1.168 weight 1.000 ! spec=Noesy, no=1370, id=1365, vol=1.328315e+06
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   45 and name  HB2) 3.538 1.565 1.565 weight 1.000 ! spec=Noesy, no=1372, id=1367, vol=6.124608e+05
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   45 and name  HB1) 3.323 1.380 1.380 weight 1.000 ! spec=Noesy, no=1373, id=1368, vol=7.971960e+05
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   46 and name  HB1) 4.422 2.445 2.445 weight 1.000 ! spec=Noesy, no=1375, id=1370, vol=1.301745e+05
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   20 and name   HA) 2.076 0.539 0.539 weight 1.000 ! spec=Noesy, no=1376, id=1371, vol=1.218425e+07
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   44 and name   HA) 3.854 1.857 1.857 weight 1.000 ! spec=Noesy, no=1377, id=1372, vol=3.031542e+05
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   43 and name   HA) 3.359 1.411 1.411 weight 1.000 ! spec=Noesy, no=1378, id=1373, vol=7.368732e+05
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   39 and name   HA) 4.052 2.053 2.053 weight 1.000 ! spec=Noesy, no=1379, id=1374, vol=2.311635e+05
assign (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   39 and name   HA) 3.994 1.994 1.994 weight 1.000 ! spec=Noesy, no=1380, id=1375, vol=2.428082e+05
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   28 and name   HA) 3.155 1.244 1.244 weight 1.000 ! spec=Noesy, no=1383, id=1378, vol=1.069358e+06
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   26 and name   HA) 3.075 1.182 1.182 weight 1.000 ! spec=Noesy, no=1384, id=1379, vol=1.139821e+06
assign (segid "   A" and resid   47 and name  HD2) (segid "   A" and resid   46 and name   HA) 2.332 0.680 0.680 weight 1.000 ! spec=Noesy, no=1385, id=1380, vol=7.080242e+06
assign (segid "   A" and resid   47 and name  HD2) (segid "   A" and resid   19 and name  HA1) 3.169 1.256 1.256 weight 1.000 ! spec=Noesy, no=1386, id=1381, vol=1.063933e+06
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   14 and name   HA) 4.184 2.188 2.188 weight 1.000 ! spec=Noesy, no=1387, id=1382, vol=2.340470e+05
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   14 and name   HA) 4.176 2.180 2.180 weight 1.000 ! spec=Noesy, no=1388, id=1383, vol=2.152542e+05
assign (segid "   A" and resid   47 and name  HD2) (segid "   A" and resid   47 and name   HA) 3.952 1.952 1.952 weight 1.000 ! spec=Noesy, no=1390, id=1385, vol=3.130632e+05
assign (segid "   A" and resid   48 and name  HA1) (segid "   A" and resid   47 and name   HA) 3.878 1.880 1.880 weight 1.000 ! spec=Noesy, no=1391, id=1386, vol=2.658528e+05
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   20 and name   HA) 3.489 1.521 1.521 weight 1.000 ! spec=Noesy, no=1392, id=1387, vol=6.438028e+05
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   20 and name   HA) 3.639 1.655 1.655 weight 1.000 ! spec=Noesy, no=1393, id=1388, vol=4.388705e+05
assign (segid "   A" and resid   47 and name  HD1) (segid "   A" and resid   47 and name   HA) 3.861 1.864 1.864 weight 1.000 ! spec=Noesy, no=1395, id=1390, vol=3.292532e+05
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   22 and name   HA) 4.304 2.315 2.315 weight 1.000 ! spec=Noesy, no=1396, id=1391, vol=1.699398e+05
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name   HA) 3.055 1.167 1.167 weight 1.000 ! spec=Noesy, no=1397, id=1392, vol=2.777773e+06
assign (segid "   A" and resid   40 and name  HA1) (segid "   A" and resid   39 and name   HA) 3.951 1.951 1.951 weight 1.000 ! spec=Noesy, no=1398, id=1393, vol=2.919955e+05
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name   HA) 3.202 1.281 1.281 weight 1.000 ! spec=Noesy, no=1399, id=1394, vol=1.767600e+06
assign (segid "   A" and resid   19 and name  HA2) (segid "   A" and resid   46 and name   HA) 3.556 1.581 1.581 weight 1.000 ! spec=Noesy, no=1400, id=1395, vol=8.277580e+05
assign (segid "   A" and resid   19 and name  HA2) (segid "   A" and resid   19 and name  HA1) 2.386 0.712 0.712 weight 1.000 ! spec=Noesy, no=1401, id=1396, vol=9.890746e+06
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   25 and name   HA) 4.438 2.462 2.462 weight 1.000 ! spec=Noesy, no=1402, id=1397, vol=2.036590e+05
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   44 and name   HA) 4.233 2.240 2.240 weight 1.000 ! spec=Noesy, no=1403, id=1398, vol=1.565318e+05
assign (segid "   A" and resid   18 and name  HD1) (segid "   A" and resid   18 and name   HA) 3.293 1.356 1.356 weight 1.000 ! spec=Noesy, no=1404, id=1399, vol=9.759645e+05
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   20 and name   HA) 3.983 1.983 1.983 weight 1.000 ! spec=Noesy, no=1405, id=1400, vol=2.388440e+05
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   11 and name  HB1) 4.374 2.392 2.392 weight 1.000 ! spec=Noesy, no=1407, id=1402, vol=1.279562e+05
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    8 and name   HA) 3.047 1.161 1.161 weight 1.000 ! spec=Noesy, no=1408, id=1403, vol=1.765174e+06
assign (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   39 and name   HA) 3.292 1.354 1.354 weight 1.000 ! spec=Noesy, no=1409, id=1404, vol=1.347004e+06
assign (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   46 and name   HA) 3.867 1.869 1.869 weight 1.000 ! spec=Noesy, no=1410, id=1405, vol=3.491718e+05
assign (segid "   A" and resid   47 and name  HG2) (segid "   A" and resid   19 and name  HA1) 4.448 2.473 2.473 weight 1.000 ! spec=Noesy, no=1411, id=1406, vol=1.679320e+05
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   32 and name   HA) 3.248 1.318 1.318 weight 1.000 ! spec=Noesy, no=1413, id=1408, vol=1.386374e+06
assign (segid "   A" and resid   46 and name  HB2) (segid "   A" and resid   19 and name  HA1) 4.319 2.332 2.332 weight 1.000 ! spec=Noesy, no=1414, id=1409, vol=2.056642e+05
assign (segid "   A" and resid   18 and name  HG2) (segid "   A" and resid   18 and name   HA) 2.732 0.933 0.933 weight 1.000 ! spec=Noesy, no=1415, id=1410, vol=2.865478e+06
assign (segid "   A" and resid   43 and name  HG1) (segid "   A" and resid   42 and name   HA) 4.075 2.076 2.076 weight 1.000 ! spec=Noesy, no=1416, id=1411, vol=2.343388e+05
assign (segid "   A" and resid   24 and name HG23) (segid "   A" and resid   25 and name   HA) 3.938 1.939 1.939 weight 1.000 ! spec=Noesy, no=1417, id=1412, vol=2.881170e+05
    or (segid "   A" and resid   24 and name HG21) (segid "   A" and resid   25 and name   HA)
    or (segid "   A" and resid   24 and name HG22) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   38 and name HG13) (segid "   A" and resid   39 and name   HA) 3.734 1.743 1.743 weight 1.000 ! spec=Noesy, no=1418, id=1413, vol=3.806018e+05
    or (segid "   A" and resid   38 and name HG12) (segid "   A" and resid   39 and name   HA)
    or (segid "   A" and resid   38 and name HG11) (segid "   A" and resid   39 and name   HA)
assign (segid "   A" and resid   46 and name  HB1) (segid "   A" and resid   46 and name   HA) 3.205 1.284 1.284 weight 1.000 ! spec=Noesy, no=1419, id=1414, vol=1.134073e+06
assign (segid "   A" and resid   46 and name  HB1) (segid "   A" and resid   19 and name  HA1) 4.665 2.721 2.721 weight 1.000 ! spec=Noesy, no=1420, id=1415, vol=1.384308e+05
assign (segid "   A" and resid   31 and name HG22) (segid "   A" and resid   32 and name   HA) 3.260 1.329 1.329 weight 1.000 ! spec=Noesy, no=1421, id=1416, vol=8.747725e+05
    or (segid "   A" and resid   31 and name HG21) (segid "   A" and resid   32 and name   HA)
    or (segid "   A" and resid   31 and name HG23) (segid "   A" and resid   32 and name   HA)
assign (segid "   A" and resid   31 and name HG22) (segid "   A" and resid   44 and name   HA) 4.416 2.438 2.438 weight 1.000 ! spec=Noesy, no=1422, id=1417, vol=1.424472e+05
    or (segid "   A" and resid   31 and name HG21) (segid "   A" and resid   44 and name   HA)
    or (segid "   A" and resid   31 and name HG23) (segid "   A" and resid   44 and name   HA)
assign (segid "   A" and resid   31 and name HG22) (segid "   A" and resid   43 and name   HA) 3.181 1.265 1.265 weight 1.000 ! spec=Noesy, no=1423, id=1418, vol=9.876178e+05
    or (segid "   A" and resid   31 and name HG21) (segid "   A" and resid   43 and name   HA)
    or (segid "   A" and resid   31 and name HG23) (segid "   A" and resid   43 and name   HA)
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   31 and name HG22) 3.901 1.902 1.902 weight 1.000 ! spec=Noesy, no=1424, id=1419, vol=2.970265e+05
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   31 and name HG22) 4.779 2.855 2.855 weight 1.000 ! spec=Noesy, no=1425, id=1420, vol=1.111028e+05
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    5 and name HG23) 4.590 2.633 2.633 weight 1.000 ! spec=Noesy, no=1427, id=1422, vol=1.238522e+05
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    5 and name HG21)
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    5 and name HG22)
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   38 and name HG13) 3.831 1.834 1.834 weight 1.000 ! spec=Noesy, no=1428, id=1423, vol=3.797965e+05
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   38 and name HG11)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   38 and name HG23) 3.924 1.924 1.924 weight 1.000 ! spec=Noesy, no=1430, id=1425, vol=2.990598e+05
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   38 and name HG13) 3.926 1.927 1.927 weight 1.000 ! spec=Noesy, no=1431, id=1426, vol=7.198505e+05
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   38 and name HG11)
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   38 and name HG23) 3.223 1.298 1.298 weight 1.000 ! spec=Noesy, no=1432, id=1427, vol=1.957067e+06
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   15 and name  HB3) 6.139 4.711 4.711 weight 1.000 ! spec=Noesy, no=1433, id=1428, vol=1.181530e+05
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    5 and name HG12) 4.319 2.332 2.332 weight 1.000 ! spec=Noesy, no=1435, id=1430, vol=1.518655e+05
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   43 and name  HG1) 4.354 2.369 2.369 weight 1.000 ! spec=Noesy, no=1436, id=1431, vol=1.465168e+05
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   10 and name  HB2) 4.936 3.046 3.046 weight 1.000 ! spec=Noesy, no=1437, id=1432, vol=1.023735e+05
assign (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   50 and name  HB1) 3.510 1.540 1.540 weight 1.000 ! spec=Noesy, no=1438, id=1433, vol=9.361792e+05
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   43 and name  HG1) 4.267 2.276 2.276 weight 1.000 ! spec=Noesy, no=1439, id=1434, vol=1.788092e+05
assign (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   43 and name  HB2) 3.916 1.917 1.917 weight 1.000 ! spec=Noesy, no=1440, id=1435, vol=3.136022e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HG2) 3.381 1.429 1.429 weight 1.000 ! spec=Noesy, no=1441, id=1436, vol=8.224450e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   23 and name  HB2) 3.892 1.894 1.894 weight 1.000 ! spec=Noesy, no=1444, id=1439, vol=3.194682e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB1) 2.966 1.099 1.099 weight 1.000 ! spec=Noesy, no=1445, id=1440, vol=7.154695e+05
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   32 and name  HB1) 3.539 1.565 1.565 weight 1.000 ! spec=Noesy, no=1446, id=1441, vol=5.602558e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   23 and name  HG1) 4.127 2.129 2.129 weight 1.000 ! spec=Noesy, no=1447, id=1442, vol=1.925998e+05
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   29 and name  HG2) 4.259 2.268 2.268 weight 1.000 ! spec=Noesy, no=1448, id=1443, vol=3.625765e+05
assign (segid "   A" and resid   47 and name  HD1) (segid "   A" and resid   47 and name  HB1) 3.163 1.250 1.250 weight 1.000 ! spec=Noesy, no=1449, id=1444, vol=1.186926e+06
assign (segid "   A" and resid   48 and name  HA2) (segid "   A" and resid   47 and name  HB1) 4.333 2.347 2.347 weight 1.000 ! spec=Noesy, no=1451, id=1446, vol=2.068398e+05
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   38 and name   HB) 5.080 3.225 3.225 weight 1.000 ! spec=Noesy, no=1452, id=1447, vol=1.280635e+05
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   16 and name  HB1) 3.915 1.916 1.916 weight 1.000 ! spec=Noesy, no=1453, id=1448, vol=2.982608e+05
assign (segid "   A" and resid   40 and name  HA2) (segid "   A" and resid   10 and name  HB1) 4.119 2.121 2.121 weight 1.000 ! spec=Noesy, no=1454, id=1449, vol=2.479878e+05
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   12 and name  HB2) 3.743 1.751 1.751 weight 1.000 ! spec=Noesy, no=1455, id=1450, vol=3.865452e+05
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   12 and name  HB2) 3.867 1.869 1.869 weight 1.000 ! spec=Noesy, no=1456, id=1451, vol=3.684720e+05
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name  HB2) 2.519 0.793 0.793 weight 1.000 ! spec=Noesy, no=1458, id=1453, vol=8.590335e+06
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   44 and name  HB2) 4.576 2.617 2.617 weight 1.000 ! spec=Noesy, no=1459, id=1454, vol=2.299062e+05
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   35 and name  HB2) 3.844 1.847 1.847 weight 1.000 ! spec=Noesy, no=1461, id=1456, vol=3.531538e+05
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   17 and name  HB2) 3.865 1.867 1.867 weight 1.000 ! spec=Noesy, no=1463, id=1458, vol=3.090492e+05
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   35 and name  HB2) 5.270 3.472 3.472 weight 1.000 ! spec=Noesy, no=1466, id=1461, vol=4.445725e+04
assign (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   30 and name  HB2) 3.878 1.880 1.880 weight 1.000 ! spec=Noesy, no=1467, id=1462, vol=3.182132e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   23 and name  HD1) 4.181 2.186 2.186 weight 1.000 ! spec=Noesy, no=1469, id=1464, vol=2.143692e+05
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   12 and name  HB1) 4.554 2.592 2.592 weight 1.000 ! spec=Noesy, no=1470, id=1465, vol=1.480478e+05
assign (segid "   A" and resid   48 and name  HA1) (segid "   A" and resid   48 and name  HA2) 1.782 0.397 0.397 weight 1.000 ! spec=Noesy, no=1472, id=1467, vol=3.412434e+07
assign (segid "   A" and resid   41 and name  HB2) (segid "   A" and resid   41 and name   HA) 2.750 0.945 0.945 weight 1.000 ! spec=Noesy, no=1473, id=1468, vol=2.796729e+06
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HB1) 2.502 0.782 0.782 weight 1.000 ! spec=Noesy, no=1474, id=1469, vol=3.600012e+06
assign (segid "   A" and resid   19 and name  HA2) (segid "   A" and resid   34 and name  HB1) 4.780 2.856 2.856 weight 1.000 ! spec=Noesy, no=1475, id=1470, vol=1.854530e+05
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   12 and name  HB2) 2.416 0.730 0.730 weight 1.000 ! spec=Noesy, no=1476, id=1471, vol=8.686706e+06
assign (segid "   A" and resid   42 and name  HB1) (segid "   A" and resid   21 and name  HB2) 2.955 1.092 1.092 weight 1.000 ! spec=Noesy, no=1477, id=1472, vol=1.926893e+06
assign (segid "   A" and resid   19 and name  HA2) (segid "   A" and resid   46 and name  HD1) 3.901 1.903 1.903 weight 1.000 ! spec=Noesy, no=1478, id=1473, vol=4.237855e+05
assign (segid "   A" and resid   19 and name  HA2) (segid "   A" and resid   20 and name  HB1) 4.601 2.646 2.646 weight 1.000 ! spec=Noesy, no=1479, id=1474, vol=1.887402e+05
assign (segid "   A" and resid   42 and name  HB1) (segid "   A" and resid   39 and name  HB1) 2.978 1.109 1.109 weight 1.000 ! spec=Noesy, no=1480, id=1475, vol=1.920388e+06
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   21 and name  HB2) 2.315 0.670 0.670 weight 1.000 ! spec=Noesy, no=1481, id=1476, vol=7.212302e+06
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   45 and name  HB1) 3.812 1.816 1.816 weight 1.000 ! spec=Noesy, no=1482, id=1477, vol=5.502012e+05
assign (segid "   A" and resid   42 and name  HB1) (segid "   A" and resid   39 and name  HB2) 3.512 1.542 1.542 weight 1.000 ! spec=Noesy, no=1483, id=1478, vol=6.617610e+05
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    8 and name  HB2) 1.816 0.412 0.412 weight 1.000 ! spec=Noesy, no=1484, id=1479, vol=3.044107e+07
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   39 and name  HB2) 1.990 0.495 0.495 weight 1.000 ! spec=Noesy, no=1485, id=1480, vol=1.549488e+07
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name  HB1) 2.738 0.937 0.937 weight 1.000 ! spec=Noesy, no=1486, id=1481, vol=5.736794e+06
assign (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   35 and name  HB1) 3.508 1.538 1.538 weight 1.000 ! spec=Noesy, no=1487, id=1482, vol=6.433260e+05
assign (segid "   A" and resid   45 and name  HB2) (segid "   A" and resid   29 and name  HB1) 3.497 1.529 1.529 weight 1.000 ! spec=Noesy, no=1488, id=1483, vol=6.767438e+05
assign (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   29 and name  HB1) 3.685 1.697 1.697 weight 1.000 ! spec=Noesy, no=1489, id=1484, vol=6.338528e+05
assign (segid "   A" and resid   44 and name  HB1) (segid "   A" and resid   35 and name  HB1) 3.408 1.452 1.452 weight 1.000 ! spec=Noesy, no=1490, id=1485, vol=6.443038e+05
assign (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   23 and name  HB1) 3.490 1.522 1.522 weight 1.000 ! spec=Noesy, no=1491, id=1486, vol=6.699710e+05
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   29 and name  HG1) 4.797 2.876 2.876 weight 1.000 ! spec=Noesy, no=1492, id=1487, vol=1.554208e+05
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   18 and name  HG2) 5.000 3.125 3.125 weight 1.000 ! spec=Noesy, no=1494, id=1489, vol=1.419392e+05
assign (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   29 and name  HG1) 4.247 2.255 2.255 weight 1.000 ! spec=Noesy, no=1495, id=1490, vol=2.586928e+05
assign (segid "   A" and resid   45 and name  HB2) (segid "   A" and resid   29 and name  HG1) 4.108 2.110 2.110 weight 1.000 ! spec=Noesy, no=1496, id=1491, vol=2.475288e+05
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   29 and name  HB2) 4.452 2.477 2.477 weight 1.000 ! spec=Noesy, no=1497, id=1492, vol=2.015530e+05
assign (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   29 and name  HB2) 3.259 1.328 1.328 weight 1.000 ! spec=Noesy, no=1498, id=1493, vol=1.284050e+06
assign (segid "   A" and resid   19 and name  HA2) (segid "   A" and resid   15 and name  HB3) 3.147 1.238 1.238 weight 1.000 ! spec=Noesy, no=1502, id=1497, vol=1.915636e+06
    or (segid "   A" and resid   19 and name  HA2) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   19 and name  HA2) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   18 and name  HD2) (segid "   A" and resid   15 and name  HB3) 3.964 1.964 1.964 weight 1.000 ! spec=Noesy, no=1503, id=1498, vol=2.752082e+05
    or (segid "   A" and resid   18 and name  HD2) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   18 and name  HD2) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   15 and name  HB3) 4.970 3.088 3.088 weight 1.000 ! spec=Noesy, no=1504, id=1499, vol=1.251890e+05
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   43 and name  HD2) (segid "   A" and resid   24 and name HG23) 3.817 1.821 1.821 weight 1.000 ! spec=Noesy, no=1505, id=1500, vol=3.521640e+05
    or (segid "   A" and resid   43 and name  HD2) (segid "   A" and resid   24 and name HG21)
    or (segid "   A" and resid   43 and name  HD2) (segid "   A" and resid   24 and name HG22)
assign (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   38 and name HG23) 4.130 2.132 2.132 weight 1.000 ! spec=Noesy, no=1506, id=1501, vol=4.625692e+05
    or (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   38 and name HG13) 4.233 2.240 2.240 weight 1.000 ! spec=Noesy, no=1507, id=1502, vol=3.086238e+05
    or (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   38 and name HG11)
assign (segid "   A" and resid   37 and name  HB2) (segid "   A" and resid   38 and name HG13) 3.565 1.589 1.589 weight 1.000 ! spec=Noesy, no=1509, id=1504, vol=8.800280e+05
    or (segid "   A" and resid   37 and name  HB2) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   37 and name  HB2) (segid "   A" and resid   38 and name HG11)
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    5 and name HG23) 5.650 3.991 3.991 weight 1.000 ! spec=Noesy, no=1510, id=1505, vol=5.762900e+04
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    5 and name HG21)
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    5 and name HG22)
assign (segid "   A" and resid   19 and name  HA2) (segid "   A" and resid   46 and name  HB1) 4.744 2.814 2.814 weight 1.000 ! spec=Noesy, no=1511, id=1506, vol=1.517838e+05
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   31 and name HG22) 4.021 2.021 2.021 weight 1.000 ! spec=Noesy, no=1512, id=1507, vol=2.465870e+05
    or (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   31 and name HG22) 5.849 4.276 4.276 weight 1.000 ! spec=Noesy, no=1513, id=1508, vol=8.118100e+04
    or (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   46 and name  HB1) 4.671 2.728 2.728 weight 1.000 ! spec=Noesy, no=1514, id=1509, vol=1.363575e+05
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   46 and name  HB1) 5.179 3.353 3.353 weight 1.000 ! spec=Noesy, no=1515, id=1510, vol=1.730258e+05
assign (segid "   A" and resid    5 and name   HB) (segid "   A" and resid    5 and name HD13) 3.402 1.446 1.446 weight 1.000 ! spec=Noesy, no=1516, id=1511, vol=8.490448e+05
    or (segid "   A" and resid    5 and name   HB) (segid "   A" and resid    5 and name HD11)
    or (segid "   A" and resid    5 and name   HB) (segid "   A" and resid    5 and name HD12)
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   24 and name HG23) 3.870 1.872 1.872 weight 1.000 ! spec=Noesy, no=1517, id=1512, vol=3.205515e+05
    or (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   24 and name HG21)
    or (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   24 and name HG22)
assign (segid "   A" and resid   38 and name   HB) (segid "   A" and resid   38 and name HG23) 2.411 0.727 0.727 weight 1.000 ! spec=Noesy, no=1518, id=1513, vol=6.419141e+06
    or (segid "   A" and resid   38 and name   HB) (segid "   A" and resid   38 and name HG22)
    or (segid "   A" and resid   38 and name   HB) (segid "   A" and resid   38 and name HG21)
assign (segid "   A" and resid   18 and name  HG2) (segid "   A" and resid   15 and name  HB3) 3.739 1.747 1.747 weight 1.000 ! spec=Noesy, no=1519, id=1514, vol=3.902152e+05
    or (segid "   A" and resid   18 and name  HG2) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   18 and name  HG2) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   46 and name  HG2) 3.705 1.716 1.716 weight 1.000 ! spec=Noesy, no=1520, id=1515, vol=6.216538e+05
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   46 and name  HG1) 3.782 1.788 1.788 weight 1.000 ! spec=Noesy, no=1521, id=1516, vol=5.861420e+05
assign (segid "   A" and resid   23 and name  HG1) (segid "   A" and resid   22 and name  HB2) 3.886 1.888 1.888 weight 1.000 ! spec=Noesy, no=1522, id=1517, vol=3.335760e+05
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   15 and name  HB3) 4.454 2.480 2.480 weight 1.000 ! spec=Noesy, no=1523, id=1518, vol=1.515785e+05
    or (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name  HG1) 2.375 0.705 0.705 weight 1.000 ! spec=Noesy, no=1525, id=1520, vol=6.316173e+06
assign (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    6 and name  HG1) 1.890 1.890 4.110 weight 1.000 ! spec=Noesy, no=1527, id=1522, vol=2.630245e+07
assign (segid "   A" and resid   50 and name  HB2) (segid "   A" and resid   50 and name  HB1) 2.021 0.511 0.511 weight 1.000 ! spec=Noesy, no=1528, id=1523, vol=1.857376e+07
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   18 and name  HG1) 4.596 2.641 2.641 weight 1.000 ! spec=Noesy, no=1529, id=1524, vol=1.415705e+05
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   18 and name  HG2) 4.430 2.454 2.454 weight 1.000 ! spec=Noesy, no=1530, id=1525, vol=1.763938e+05
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   10 and name  HB1) 4.238 2.245 2.245 weight 1.000 ! spec=Noesy, no=1531, id=1526, vol=2.342322e+05
assign (segid "   A" and resid   47 and name  HG2) (segid "   A" and resid   47 and name  HG1) 2.025 0.513 0.513 weight 1.000 ! spec=Noesy, no=1532, id=1527, vol=1.555908e+07
assign (segid "   A" and resid   47 and name  HG1) (segid "   A" and resid   47 and name  HB1) 2.379 0.708 0.708 weight 1.000 ! spec=Noesy, no=1533, id=1528, vol=5.938200e+06
assign (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name  HB2) 1.779 0.396 0.396 weight 1.000 ! spec=Noesy, no=1534, id=1529, vol=3.615090e+07
assign (segid "   A" and resid    5 and name HG11) (segid "   A" and resid    5 and name HG23) 3.033 1.150 1.150 weight 1.000 ! spec=Noesy, no=1535, id=1530, vol=1.680196e+06
    or (segid "   A" and resid    5 and name HG11) (segid "   A" and resid    5 and name HG21)
    or (segid "   A" and resid    5 and name HG11) (segid "   A" and resid    5 and name HG22)
assign (segid "   A" and resid    5 and name HG12) (segid "   A" and resid    5 and name HD13) 3.619 1.637 1.637 weight 1.000 ! spec=Noesy, no=1536, id=1531, vol=8.791335e+05
    or (segid "   A" and resid    5 and name HG12) (segid "   A" and resid    5 and name HD11)
    or (segid "   A" and resid    5 and name HG12) (segid "   A" and resid    5 and name HD12)
assign (segid "   A" and resid    5 and name HG12) (segid "   A" and resid    5 and name HG23) 3.098 1.199 1.199 weight 1.000 ! spec=Noesy, no=1537, id=1532, vol=1.374329e+06
    or (segid "   A" and resid    5 and name HG12) (segid "   A" and resid    5 and name HG21)
    or (segid "   A" and resid    5 and name HG12) (segid "   A" and resid    5 and name HG22)
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid   39 and name   HN) 4.117 2.119 2.119 weight 1.000 ! spec=Noesy, no=1538, id=1533, vol=2.402590e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   24 and name   HN) 4.694 2.754 2.754 weight 1.000 ! spec=Noesy, no=1544, id=1536, vol=1.043358e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name HD21) 3.700 3.700 2.300 weight 1.000 ! spec=Noesy, no=1545, id=1537, vol=4.338450e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   48 and name  HA1) 3.940 1.940 1.940 weight 1.000 ! spec=Noesy, no=1554, id=1541, vol=2.779018e+05
assign (segid "   A" and resid   20 and name  HZ2) (segid "   A" and resid   20 and name   HA) 2.687 2.687 3.313 weight 1.000 ! spec=Noesy, no=1567, id=1546, vol=3.052155e+06
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   37 and name   HA) 4.325 2.338 2.338 weight 1.000 ! spec=Noesy, no=1568, id=1547, vol=1.331192e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   36 and name   HA) 3.352 1.405 1.405 weight 1.000 ! spec=Noesy, no=1569, id=1548, vol=8.036102e+05
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   36 and name  HB2) 2.615 0.854 0.854 weight 1.000 ! spec=Noesy, no=1576, id=1552, vol=3.184744e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   46 and name  HD1) 4.536 2.572 2.572 weight 1.000 ! spec=Noesy, no=1577, id=1553, vol=1.182742e+05
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   10 and name  HB1) 2.682 0.899 0.899 weight 1.000 ! spec=Noesy, no=1578, id=1554, vol=2.976554e+06
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   10 and name  HB1)
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   49 and name  HB2) 3.031 3.031 2.969 weight 1.000 ! spec=Noesy, no=1582, id=1557, vol=1.432981e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   38 and name HG13) 4.007 2.007 2.007 weight 1.000 ! spec=Noesy, no=1585, id=1559, vol=2.692430e+05
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   38 and name HG11)
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid    8 and name   HA) 4.073 2.073 2.073 weight 1.000 ! spec=Noesy, no=1588, id=1560, vol=2.384312e+05
assign (segid "   A" and resid   40 and name  HA1) (segid "   A" and resid   41 and name   HA) 4.151 2.154 2.154 weight 1.000 ! spec=Noesy, no=1589, id=1561, vol=2.149032e+05
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   34 and name   HA) 3.975 1.975 1.975 weight 1.000 ! spec=Noesy, no=1590, id=1562, vol=2.545888e+05
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name   HA) 2.418 0.731 0.731 weight 1.000 ! spec=Noesy, no=1591, id=1563, vol=4.594562e+06
assign (segid "   A" and resid   29 and name  HG1) (segid "   A" and resid   46 and name   HA) 4.370 2.388 2.388 weight 1.000 ! spec=Noesy, no=1593, id=1565, vol=1.587090e+05
assign (segid "   A" and resid   49 and name   HA) (segid "   A" and resid   49 and name  HB2) 2.709 0.917 0.917 weight 1.000 ! spec=Noesy, no=1601, id=1572, vol=2.853648e+06
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   13 and name   HA) 2.038 0.519 0.519 weight 1.000 ! spec=Noesy, no=1616, id=1587, vol=1.365060e+07
assign (segid "   A" and resid   42 and name  HB1) (segid "   A" and resid   10 and name  HB1) 3.440 1.479 1.479 weight 1.000 ! spec=Noesy, no=1618, id=1589, vol=6.755515e+05
assign (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   32 and name  HB2) 2.991 1.119 1.119 weight 1.000 ! spec=Noesy, no=1620, id=1591, vol=1.471910e+06
assign (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   32 and name  HB2) 3.169 1.255 1.255 weight 1.000 ! spec=Noesy, no=1621, id=1592, vol=1.124638e+06
assign (segid "   A" and resid   44 and name  HB1) (segid "   A" and resid   32 and name  HB2) 2.999 1.124 1.124 weight 1.000 ! spec=Noesy, no=1624, id=1595, vol=1.422266e+06
assign (segid "   A" and resid   44 and name  HB2) (segid "   A" and resid   32 and name  HB1) 3.371 1.420 1.420 weight 1.000 ! spec=Noesy, no=1626, id=1597, vol=7.232440e+05
assign (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   29 and name  HG2) 4.032 2.032 2.032 weight 1.000 ! spec=Noesy, no=1627, id=1598, vol=2.515308e+05
assign (segid "   A" and resid   44 and name  HB1) (segid "   A" and resid   32 and name  HB1) 3.274 1.340 1.340 weight 1.000 ! spec=Noesy, no=1628, id=1599, vol=8.430100e+05
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   35 and name  HB1) 4.186 2.191 2.191 weight 1.000 ! spec=Noesy, no=1630, id=1601, vol=1.999282e+05
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   29 and name  HB1) 3.899 1.900 1.900 weight 1.000 ! spec=Noesy, no=1631, id=1602, vol=2.581612e+05
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   15 and name  HB3) 3.327 1.383 1.383 weight 1.000 ! spec=Noesy, no=1633, id=1603, vol=7.441890e+05
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   15 and name  HB1)
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           HT1      SER   1  11.673  -3.161   2.874
    2    H2   SER   1           HT2      SER   1  11.780  -4.759   3.141
    3    H3   SER   1           HT3      SER   1  10.483  -3.935   3.669
    4    HA   SER   1           HA       SER   1   9.762  -3.470   1.471
    5    HB2  SER   1           HB2      SER   1  11.025  -4.679  -0.385
    6    HB3  SER   1           HB3      SER   1  11.832  -3.279   0.319
    7    HG   SER   1           HG       SER   1  12.322  -6.001   1.000
    8    H    TYR   2           HN       TYR   2   8.056  -4.628   2.333
    9    HA   TYR   2           HA       TYR   2   7.878  -7.300   2.933
   10    HB2  TYR   2           HB2      TYR   2   6.067  -5.756   3.389
   11    HB3  TYR   2           HB3      TYR   2   5.786  -5.517   1.670
   12    HD1  TYR   2           HD1      TYR   2   4.213  -6.824   0.557
   13    HD2  TYR   2           HD2      TYR   2   5.706  -8.143   4.313
   14    HE1  TYR   2           HE1      TYR   2   2.556  -8.641   0.571
   15    HE2  TYR   2           HE2      TYR   2   4.057  -9.968   4.333
   16    HH   TYR   2           HH       TYR   2   1.870 -10.481   3.325
   17    H    GLN   3           HN       GLN   3   7.808  -5.816  -0.250
   18    HA   GLN   3           HA       GLN   3   8.421  -8.392  -1.401
   19    HB2  GLN   3           HB2      GLN   3   5.857  -8.027  -1.416
   20    HB3  GLN   3           HB3      GLN   3   6.183  -6.837  -2.669
   21    HG2  GLN   3           HG2      GLN   3   7.238  -8.542  -4.040
   22    HG3  GLN   3           HG3      GLN   3   6.960  -9.744  -2.782
   23   HE21  GLN   3          HE21      GLN   3   6.051  -9.768  -5.514
   24   HE22  GLN   3          HE22      GLN   3   4.322  -9.829  -5.460
   25    H    ARG   4           HN       ARG   4  10.395  -7.345  -1.640
   26    HA   ARG   4           HA       ARG   4  12.018  -6.048  -2.455
   27    HB2  ARG   4           HB2      ARG   4  12.253  -6.122  -4.832
   28    HB3  ARG   4           HB3      ARG   4  11.638  -7.646  -4.249
   29    HG2  ARG   4           HG2      ARG   4   9.466  -7.184  -5.092
   30    HG3  ARG   4           HG3      ARG   4   9.904  -5.518  -5.471
   31    HD2  ARG   4           HD2      ARG   4  11.434  -6.242  -7.171
   32    HD3  ARG   4           HD3      ARG   4  11.217  -7.930  -6.713
   33    HE   ARG   4           HE       ARG   4   8.793  -7.507  -7.420
   34   HH11  ARG   4          HH11      ARG   4  11.566  -5.948  -8.897
   35   HH12  ARG   4          HH12      ARG   4  10.809  -5.791 -10.448
   36   HH21  ARG   4          HH21      ARG   4   7.804  -7.320  -9.471
   37   HH22  ARG   4          HH22      ARG   4   8.674  -6.580 -10.778
   38    H    ILE   5           HN       ILE   5  12.451  -4.276  -4.334
   39    HA   ILE   5           HA       ILE   5  10.752  -1.972  -3.618
   40    HB   ILE   5           HB       ILE   5  13.760  -2.138  -3.868
   41   HG12  ILE   5          HG12      ILE   5  11.983  -1.265  -1.581
   42   HG13  ILE   5          HG11      ILE   5  12.803  -2.818  -1.700
   43   HG21  ILE   5          HG21      ILE   5  13.821   0.277  -3.463
   44   HG22  ILE   5          HG22      ILE   5  12.062   0.333  -3.573
   45   HG23  ILE   5          HG23      ILE   5  13.019  -0.117  -4.984
   46   HD11  ILE   5          HD11      ILE   5  13.977  -1.298  -0.214
   47   HD12  ILE   5          HD12      ILE   5  14.141  -0.127  -1.523
   48   HD13  ILE   5          HD13      ILE   5  14.960  -1.686  -1.625
   49    H    ARG   6           HN       ARG   6   9.875  -0.981  -5.358
   50    HA   ARG   6           HA       ARG   6  11.264  -1.252  -7.915
   51    HB2  ARG   6           HB2      ARG   6   8.691  -1.178  -8.748
   52    HB3  ARG   6           HB3      ARG   6   9.638  -2.632  -8.526
   53    HG2  ARG   6           HG2      ARG   6   8.026  -1.589  -6.250
   54    HG3  ARG   6           HG3      ARG   6   7.239  -2.482  -7.555
   55    HD2  ARG   6           HD2      ARG   6   9.038  -4.255  -7.197
   56    HD3  ARG   6           HD3      ARG   6   9.413  -3.408  -5.700
   57    HE   ARG   6           HE       ARG   6   7.528  -4.287  -4.753
   58   HH11  ARG   6          HH11      ARG   6   7.339  -4.702  -8.225
   59   HH12  ARG   6          HH12      ARG   6   6.064  -5.876  -8.147
   60   HH21  ARG   6          HH21      ARG   6   5.835  -5.864  -4.664
   61   HH22  ARG   6          HH22      ARG   6   5.203  -6.516  -6.139
   62    H    SER   7           HN       SER   7   8.200   0.400  -7.151
   63    HA   SER   7           HA       SER   7   8.787   2.495  -8.924
   64    HB2  SER   7           HB2      SER   7   6.765   2.531  -6.675
   65    HB3  SER   7           HB3      SER   7   6.735   3.505  -8.144
   66    HG   SER   7           HG       SER   7   5.436   1.866  -8.656
   67    H    ASP   8           HN       ASP   8   9.328   2.147  -5.506
   68    HA   ASP   8           HA       ASP   8  11.087   4.423  -5.456
   69    HB2  ASP   8           HB2      ASP   8   8.647   5.265  -4.972
   70    HB3  ASP   8           HB3      ASP   8   8.874   4.446  -3.428
   71    H    HIS   9           HN       HIS   9  11.721   4.632  -2.903
   72    HA   HIS   9           HA       HIS   9  12.867   2.145  -2.276
   73    HB2  HIS   9           HB2      HIS   9  13.875   4.257  -1.542
   74    HB3  HIS   9           HB3      HIS   9  12.487   4.571  -0.507
   75    HD1  HIS   9           HD1      HIS   9  15.580   2.463  -0.746
   76    HD2  HIS   9           HD2      HIS   9  12.472   3.179   1.922
   77    HE1  HIS   9           HE1      HIS   9  16.287   1.401   1.421
   78    HE2  HIS   9           HE2      HIS   9  14.450   1.951   3.052
   79    H    ASP  10           HN       ASP  10  10.011   3.803  -1.095
   80    HA   ASP  10           HA       ASP  10   9.445   1.564   0.696
   81    HB2  ASP  10           HB2      ASP  10   8.222   4.320   0.521
   82    HB3  ASP  10           HB3      ASP  10   7.716   3.078   1.657
   83    H    SER  11           HN       SER  11   8.766   2.413  -2.408
   84    HA   SER  11           HA       SER  11   5.921   1.861  -2.348
   85    HB2  SER  11           HB2      SER  11   7.109   3.543  -3.905
   86    HB3  SER  11           HB3      SER  11   7.560   2.129  -4.848
   87    HG   SER  11           HG       SER  11   4.900   2.833  -4.133
   88    H    HIS  12           HN       HIS  12   5.396  -0.171  -2.006
   89    HA   HIS  12           HA       HIS  12   6.160  -2.149  -3.965
   90    HB2  HIS  12           HB2      HIS  12   6.796  -3.839  -2.281
   91    HB3  HIS  12           HB3      HIS  12   7.910  -2.480  -2.292
   92    HD1  HIS  12           HD1      HIS  12   5.287  -4.146  -0.176
   93    HD2  HIS  12           HD2      HIS  12   7.969  -0.982   0.092
   94    HE1  HIS  12           HE1      HIS  12   5.378  -3.522   2.262
   95    HE2  HIS  12           HE2      HIS  12   7.148  -1.744   2.416
   96    H    SER  13           HN       SER  13   4.934  -4.241  -3.457
   97    HA   SER  13           HA       SER  13   2.195  -3.611  -2.922
   98    HB2  SER  13           HB2      SER  13   1.989  -6.163  -3.267
   99    HB3  SER  13           HB3      SER  13   2.528  -5.190  -4.637
  100    HG   SER  13           HG       SER  13   3.772  -7.230  -3.585
  101    H    CYS  14           HN       CYS  14   0.908  -4.465  -1.289
  102    HA   CYS  14           HA       CYS  14   2.188  -5.949   0.874
  103    HB2  CYS  14           HB2      CYS  14   1.166  -4.466   2.570
  104    HB3  CYS  14           HB3      CYS  14   2.382  -3.643   1.605
  105    H    ALA  15           HN       ALA  15   0.415  -6.587   2.497
  106    HA   ALA  15           HA       ALA  15  -1.462  -7.777   2.925
  107    HB1  ALA  15           HB1      ALA  15  -3.573  -6.772   2.259
  108    HB2  ALA  15           HB2      ALA  15  -2.727  -5.745   1.101
  109    HB3  ALA  15           HB3      ALA  15  -2.438  -5.549   2.831
  110    H    ASN  16           HN       ASN  16   0.131  -8.595   0.555
  111    HA   ASN  16           HA       ASN  16   0.091 -10.120  -1.107
  112    HB2  ASN  16           HB2      ASN  16  -2.405 -10.891   0.368
  113    HB3  ASN  16           HB3      ASN  16  -1.904 -11.746  -1.088
  114   HD21  ASN  16          HD21      ASN  16  -1.232 -11.131   2.251
  115   HD22  ASN  16          HD22      ASN  16  -0.005 -12.338   2.439
  116    H    ASN  17           HN       ASN  17  -0.124  -8.141  -2.404
  117    HA   ASN  17           HA       ASN  17  -0.855  -7.213  -4.362
  118    HB2  ASN  17           HB2      ASN  17  -1.802  -8.801  -5.648
  119    HB3  ASN  17           HB3      ASN  17  -2.506  -9.617  -4.256
  120   HD21  ASN  17          HD21      ASN  17  -4.519  -8.838  -3.448
  121   HD22  ASN  17          HD22      ASN  17  -5.630  -7.971  -4.465
  122    H    ARG  18           HN       ARG  18  -3.093  -7.685  -1.726
  123    HA   ARG  18           HA       ARG  18  -5.063  -5.884  -2.680
  124    HB2  ARG  18           HB2      ARG  18  -4.611  -7.183   0.003
  125    HB3  ARG  18           HB3      ARG  18  -5.996  -6.161  -0.353
  126    HG2  ARG  18           HG2      ARG  18  -7.034  -7.989  -1.046
  127    HG3  ARG  18           HG3      ARG  18  -5.950  -7.997  -2.423
  128    HD2  ARG  18           HD2      ARG  18  -5.826 -10.152  -1.495
  129    HD3  ARG  18           HD3      ARG  18  -4.350  -9.321  -1.002
  130    HE   ARG  18           HE       ARG  18  -5.217  -9.136   1.185
  131   HH11  ARG  18          HH11      ARG  18  -7.231 -11.044  -0.953
  132   HH12  ARG  18          HH12      ARG  18  -8.074 -11.837   0.340
  133   HH21  ARG  18          HH21      ARG  18  -6.328 -10.189   2.891
  134   HH22  ARG  18          HH22      ARG  18  -7.560 -11.353   2.521
  135    H    GLY  19           HN       GLY  19  -2.180  -4.975  -2.054
  136    HA2  GLY  19           HA2      GLY  19  -2.912  -2.389  -0.946
  137    HA3  GLY  19           HA1      GLY  19  -1.835  -3.363   0.035
  138    H    TRP  20           HN       TRP  20  -1.544  -0.787  -1.679
  139    HA   TRP  20           HA       TRP  20   1.147  -1.589  -2.518
  140    HB2  TRP  20           HB2      TRP  20  -0.286  -1.322  -4.588
  141    HB3  TRP  20           HB3      TRP  20  -0.466   0.377  -4.150
  142    HD1  TRP  20           HD1      TRP  20   1.624   1.962  -4.489
  143    HE1  TRP  20           HE1      TRP  20   3.897   1.681  -5.614
  144    HE3  TRP  20           HE3      TRP  20   1.539  -3.097  -5.163
  145    HZ2  TRP  20           HZ2      TRP  20   5.463  -0.437  -6.654
  146    HZ3  TRP  20           HZ3      TRP  20   3.474  -4.168  -6.238
  147    HH2  TRP  20           HH2      TRP  20   5.387  -2.863  -6.977
  148    H    CYS  21           HN       CYS  21   2.688  -0.272  -1.835
  149    HA   CYS  21           HA       CYS  21   1.984   1.800   0.008
  150    HB2  CYS  21           HB2      CYS  21   4.728   1.114  -1.018
  151    HB3  CYS  21           HB3      CYS  21   4.311   1.905   0.497
  152    H    ARG  22           HN       ARG  22   1.383   3.709  -0.631
  153    HA   ARG  22           HA       ARG  22   2.967   5.096  -2.687
  154    HB2  ARG  22           HB2      ARG  22  -0.038   5.163  -2.359
  155    HB3  ARG  22           HB3      ARG  22   0.863   6.226  -3.417
  156    HG2  ARG  22           HG2      ARG  22   1.571   4.309  -4.734
  157    HG3  ARG  22           HG3      ARG  22   0.700   3.238  -3.633
  158    HD2  ARG  22           HD2      ARG  22  -0.452   3.929  -5.829
  159    HD3  ARG  22           HD3      ARG  22  -1.382   3.992  -4.331
  160    HE   ARG  22           HE       ARG  22  -1.565   6.249  -4.583
  161   HH11  ARG  22          HH11      ARG  22   1.014   5.120  -6.661
  162   HH12  ARG  22          HH12      ARG  22   1.326   6.683  -7.342
  163   HH21  ARG  22          HH21      ARG  22  -1.155   8.321  -5.480
  164   HH22  ARG  22          HH22      ARG  22   0.090   8.502  -6.677
  165    HA   PRO  23           HA       PRO  23   3.062   8.297   0.399
  166    HB2  PRO  23           HB2      PRO  23   3.343  10.513  -1.174
  167    HB3  PRO  23           HB3      PRO  23   4.659   9.403  -0.792
  168    HG2  PRO  23           HG2      PRO  23   3.117   9.710  -3.290
  169    HG3  PRO  23           HG3      PRO  23   4.771   9.134  -3.045
  170    HD2  PRO  23           HD2      PRO  23   2.533   7.543  -3.559
  171    HD3  PRO  23           HD3      PRO  23   4.098   6.979  -2.950
  172    H    THR  24           HN       THR  24   0.699   8.228  -2.064
  173    HA   THR  24           HA       THR  24  -1.258   9.366  -0.319
  174    HB   THR  24           HB       THR  24  -0.448  11.443  -1.239
  175    HG1  THR  24           HG1      THR  24  -2.609  11.474  -2.836
  176   HG21  THR  24          HG21      THR  24  -0.908  10.203  -3.948
  177   HG22  THR  24          HG22      THR  24   0.649  10.619  -3.234
  178   HG23  THR  24          HG23      THR  24  -0.494  11.892  -3.660
  179    H    CYS  25           HN       CYS  25  -3.264   8.586  -0.768
  180    HA   CYS  25           HA       CYS  25  -3.302   6.397  -2.685
  181    HB2  CYS  25           HB2      CYS  25  -5.268   7.147  -0.512
  182    HB3  CYS  25           HB3      CYS  25  -5.254   5.642  -1.425
  183    H    PHE  26           HN       PHE  26  -4.868   6.108  -4.264
  184    HA   PHE  26           HA       PHE  26  -6.055   8.519  -5.315
  185    HB2  PHE  26           HB2      PHE  26  -6.314   5.650  -6.230
  186    HB3  PHE  26           HB3      PHE  26  -6.904   7.057  -7.112
  187    HD1  PHE  26           HD1      PHE  26  -4.298   4.773  -6.827
  188    HD2  PHE  26           HD2      PHE  26  -5.048   8.897  -7.546
  189    HE1  PHE  26           HE1      PHE  26  -2.122   4.969  -7.948
  190    HE2  PHE  26           HE2      PHE  26  -2.871   9.102  -8.665
  191    HZ   PHE  26           HZ       PHE  26  -1.400   7.133  -8.860
  192    H    SER  27           HN       SER  27  -8.441   8.290  -6.123
  193    HA   SER  27           HA       SER  27 -10.072   8.150  -3.829
  194    HB2  SER  27           HB2      SER  27 -10.962   8.110  -6.717
  195    HB3  SER  27           HB3      SER  27 -11.926   8.599  -5.324
  196    HG   SER  27           HG       SER  27  -9.787  10.060  -5.188
  197    H    HIS  28           HN       HIS  28  -9.413   5.879  -6.407
  198    HA   HIS  28           HA       HIS  28 -11.464   4.090  -5.495
  199    HB2  HIS  28           HB2      HIS  28 -10.866   2.657  -7.313
  200    HB3  HIS  28           HB3      HIS  28 -10.797   4.307  -7.915
  201    HD1  HIS  28           HD1      HIS  28  -9.022   1.304  -8.227
  202    HD2  HIS  28           HD2      HIS  28  -7.847   5.237  -7.579
  203    HE1  HIS  28           HE1      HIS  28  -6.616   1.417  -8.933
  204    HE2  HIS  28           HE2      HIS  28  -6.005   3.848  -8.748
  205    H    GLU  29           HN       GLU  29  -8.832   4.836  -3.959
  206    HA   GLU  29           HA       GLU  29  -8.344   2.071  -3.064
  207    HB2  GLU  29           HB2      GLU  29  -6.327   4.312  -3.072
  208    HB3  GLU  29           HB3      GLU  29  -6.045   2.647  -2.592
  209    HG2  GLU  29           HG2      GLU  29  -6.314   1.893  -4.847
  210    HG3  GLU  29           HG3      GLU  29  -6.812   3.501  -5.372
  211    H    TYR  30           HN       TYR  30  -7.100   2.303  -0.809
  212    HA   TYR  30           HA       TYR  30  -8.020   4.548   0.773
  213    HB2  TYR  30           HB2      TYR  30  -9.182   3.215   2.427
  214    HB3  TYR  30           HB3      TYR  30  -9.914   2.950   0.853
  215    HD1  TYR  30           HD1      TYR  30  -9.826   0.762  -0.214
  216    HD2  TYR  30           HD2      TYR  30  -7.880   1.455   3.516
  217    HE1  TYR  30           HE1      TYR  30  -9.629  -1.667   0.133
  218    HE2  TYR  30           HE2      TYR  30  -7.660  -0.959   3.863
  219    HH   TYR  30           HH       TYR  30  -8.616  -2.997   3.179
  220    H    THR  31           HN       THR  31  -7.051   4.531   2.952
  221    HA   THR  31           HA       THR  31  -4.327   3.547   2.760
  222    HB   THR  31           HB       THR  31  -5.591   5.259   4.909
  223    HG1  THR  31           HG1      THR  31  -4.674   5.810   2.354
  224   HG21  THR  31          HG21      THR  31  -3.234   5.920   5.349
  225   HG22  THR  31          HG22      THR  31  -2.713   4.681   4.206
  226   HG23  THR  31          HG23      THR  31  -3.555   4.218   5.685
  227    H    ASP  32           HN       ASP  32  -3.927   1.561   3.413
  228    HA   ASP  32           HA       ASP  32  -5.294   0.430   5.732
  229    HB2  ASP  32           HB2      ASP  32  -4.870  -0.933   3.677
  230    HB3  ASP  32           HB3      ASP  32  -3.165  -0.795   3.989
  231    H    TRP  33           HN       TRP  33  -4.488   0.813   7.672
  232    HA   TRP  33           HA       TRP  33  -1.902   2.020   7.909
  233    HB2  TRP  33           HB2      TRP  33  -4.162   1.520   9.824
  234    HB3  TRP  33           HB3      TRP  33  -2.619   2.193  10.349
  235    HD1  TRP  33           HD1      TRP  33  -5.826   3.176   8.618
  236    HE1  TRP  33           HE1      TRP  33  -5.718   5.656   7.947
  237    HE3  TRP  33           HE3      TRP  33  -0.893   4.021   9.569
  238    HZ2  TRP  33           HZ2      TRP  33  -3.763   7.702   7.813
  239    HZ3  TRP  33           HZ3      TRP  33   0.033   6.261   9.126
  240    HH2  TRP  33           HH2      TRP  33  -1.372   8.053   8.252
  241    H    PHE  34           HN       PHE  34  -3.237  -1.097   8.323
  242    HA   PHE  34           HA       PHE  34  -1.337  -2.216  10.087
  243    HB2  PHE  34           HB2      PHE  34  -3.505  -3.283   9.352
  244    HB3  PHE  34           HB3      PHE  34  -2.764  -3.578   7.776
  245    HD1  PHE  34           HD1      PHE  34  -2.768  -4.504  11.325
  246    HD2  PHE  34           HD2      PHE  34  -1.155  -5.325   7.477
  247    HE1  PHE  34           HE1      PHE  34  -1.885  -6.644  12.157
  248    HE2  PHE  34           HE2      PHE  34  -0.269  -7.465   8.301
  249    HZ   PHE  34           HZ       PHE  34  -0.633  -8.128  10.644
  250    H    ASN  35           HN       ASN  35  -1.599  -2.336   6.562
  251    HA   ASN  35           HA       ASN  35   1.097  -3.273   6.295
  252    HB2  ASN  35           HB2      ASN  35  -1.013  -2.469   4.309
  253    HB3  ASN  35           HB3      ASN  35   0.610  -2.935   3.827
  254   HD21  ASN  35          HD21      ASN  35  -2.387  -3.982   5.148
  255   HD22  ASN  35          HD22      ASN  35  -2.100  -5.685   5.019
  256    H    ASN  36           HN       ASN  36  -0.267  -0.213   6.762
  257    HA   ASN  36           HA       ASN  36   1.534   1.426   5.403
  258    HB2  ASN  36           HB2      ASN  36  -0.096   1.704   7.828
  259    HB3  ASN  36           HB3      ASN  36   1.383   2.651   7.874
  260   HD21  ASN  36          HD21      ASN  36   0.768   4.653   7.498
  261   HD22  ASN  36          HD22      ASN  36  -0.185   5.176   6.154
  262    H    ASP  37           HN       ASP  37   1.807  -0.392   8.382
  263    HA   ASP  37           HA       ASP  37   4.353   0.509   9.176
  264    HB2  ASP  37           HB2      ASP  37   2.817  -0.678  10.686
  265    HB3  ASP  37           HB3      ASP  37   3.031  -2.142   9.737
  266    H    VAL  38           HN       VAL  38   3.331  -2.239   7.155
  267    HA   VAL  38           HA       VAL  38   6.015  -3.180   6.775
  268    HB   VAL  38           HB       VAL  38   5.231  -4.685   5.168
  269   HG11  VAL  38          HG11      VAL  38   4.425  -5.221   7.374
  270   HG12  VAL  38          HG12      VAL  38   3.227  -5.700   6.171
  271   HG13  VAL  38          HG13      VAL  38   2.987  -4.233   7.120
  272   HG21  VAL  38          HG21      VAL  38   3.122  -4.551   3.975
  273   HG22  VAL  38          HG22      VAL  38   4.090  -3.100   3.696
  274   HG23  VAL  38          HG23      VAL  38   2.727  -3.049   4.817
  275    H    CYS  39           HN       CYS  39   4.128  -0.732   5.328
  276    HA   CYS  39           HA       CYS  39   5.602  -0.487   2.906
  277    HB2  CYS  39           HB2      CYS  39   3.618   1.287   4.308
  278    HB3  CYS  39           HB3      CYS  39   4.404   1.765   2.806
  279    H    GLY  40           HN       GLY  40   5.921   0.902   6.103
  280    HA2  GLY  40           HA2      GLY  40   7.915   1.846   6.928
  281    HA3  GLY  40           HA1      GLY  40   8.481   2.026   5.277
  282    H    SER  41           HN       SER  41   8.423   3.977   4.403
  283    HA   SER  41           HA       SER  41   7.329   6.134   6.016
  284    HB2  SER  41           HB2      SER  41   9.627   6.242   5.089
  285    HB3  SER  41           HB3      SER  41   8.949   6.245   3.462
  286    HG   SER  41           HG       SER  41   8.113   8.238   3.790
  287    H    TYR  42           HN       TYR  42   6.261   4.204   3.528
  288    HA   TYR  42           HA       TYR  42   4.420   6.241   2.478
  289    HB2  TYR  42           HB2      TYR  42   5.369   3.589   1.470
  290    HB3  TYR  42           HB3      TYR  42   3.792   4.176   0.966
  291    HD1  TYR  42           HD1      TYR  42   5.561   7.096   1.371
  292    HD2  TYR  42           HD2      TYR  42   5.436   3.690  -1.166
  293    HE1  TYR  42           HE1      TYR  42   6.586   8.404  -0.417
  294    HE2  TYR  42           HE2      TYR  42   6.470   4.986  -2.962
  295    HH   TYR  42           HH       TYR  42   7.928   8.001  -2.457
  296    H    ARG  43           HN       ARG  43   2.265   5.071   1.831
  297    HA   ARG  43           HA       ARG  43   1.269   3.668   4.210
  298    HB2  ARG  43           HB2      ARG  43  -0.806   4.949   4.016
  299    HB3  ARG  43           HB3      ARG  43   0.565   6.026   4.222
  300    HG2  ARG  43           HG2      ARG  43   0.500   6.088   1.600
  301    HG3  ARG  43           HG3      ARG  43  -1.173   5.595   1.863
  302    HD2  ARG  43           HD2      ARG  43  -0.969   8.016   1.693
  303    HD3  ARG  43           HD3      ARG  43  -1.547   7.519   3.281
  304    HE   ARG  43           HE       ARG  43   1.316   8.048   2.951
  305   HH11  ARG  43          HH11      ARG  43  -1.816   9.055   4.177
  306   HH12  ARG  43          HH12      ARG  43  -1.149  10.232   5.265
  307   HH21  ARG  43          HH21      ARG  43   2.185   9.602   4.390
  308   HH22  ARG  43          HH22      ARG  43   1.119  10.539   5.390
  309    H    CYS  44           HN       CYS  44  -0.365   2.089   3.810
  310    HA   CYS  44           HA       CYS  44   0.036   0.888   1.212
  311    HB2  CYS  44           HB2      CYS  44   0.090  -0.560   3.117
  312    HB3  CYS  44           HB3      CYS  44  -1.487  -0.048   3.645
  313    H    CYS  45           HN       CYS  45  -1.004   2.039  -0.285
  314    HA   CYS  45           HA       CYS  45  -3.770   2.764  -0.002
  315    HB2  CYS  45           HB2      CYS  45  -1.922   2.851  -2.397
  316    HB3  CYS  45           HB3      CYS  45  -3.518   3.596  -2.305
  317    H    ARG  46           HN       ARG  46  -4.842   0.889   0.326
  318    HA   ARG  46           HA       ARG  46  -4.544  -1.365  -1.442
  319    HB2  ARG  46           HB2      ARG  46  -6.579  -0.797   0.718
  320    HB3  ARG  46           HB3      ARG  46  -6.389  -2.332  -0.117
  321    HG2  ARG  46           HG2      ARG  46  -4.066  -2.444   0.776
  322    HG3  ARG  46           HG3      ARG  46  -4.423  -1.003   1.729
  323    HD2  ARG  46           HD2      ARG  46  -4.799  -2.785   3.195
  324    HD3  ARG  46           HD3      ARG  46  -6.410  -2.318   2.648
  325    HE   ARG  46           HE       ARG  46  -5.665  -4.306   0.946
  326   HH11  ARG  46          HH11      ARG  46  -5.827  -3.968   4.427
  327   HH12  ARG  46          HH12      ARG  46  -6.217  -5.639   4.703
  328   HH21  ARG  46          HH21      ARG  46  -6.185  -6.525   1.321
  329   HH22  ARG  46          HH22      ARG  46  -6.426  -7.088   2.941
  330    HA   PRO  47           HA       PRO  47  -7.523  -0.066  -4.536
  331    HB2  PRO  47           HB2      PRO  47  -7.895  -3.027  -4.610
  332    HB3  PRO  47           HB3      PRO  47  -7.630  -1.899  -5.942
  333    HG2  PRO  47           HG2      PRO  47  -5.671  -3.508  -5.067
  334    HG3  PRO  47           HG3      PRO  47  -5.341  -1.857  -5.629
  335    HD2  PRO  47           HD2      PRO  47  -5.394  -2.944  -2.866
  336    HD3  PRO  47           HD3      PRO  47  -4.430  -1.617  -3.542
  337    H    GLY  48           HN       GLY  48  -9.589   0.522  -4.078
  338    HA2  GLY  48           HA2      GLY  48 -10.864  -0.226  -1.690
  339    HA3  GLY  48           HA1      GLY  48 -11.630   0.618  -3.025
  340    H    ARG  49           HN       ARG  49 -10.489  -2.165  -4.283
  341    HA   ARG  49           HA       ARG  49 -12.728  -3.837  -3.436
  342    HB2  ARG  49           HB2      ARG  49 -12.745  -4.578  -5.980
  343    HB3  ARG  49           HB3      ARG  49 -13.723  -3.240  -5.404
  344    HG2  ARG  49           HG2      ARG  49 -12.655  -2.693  -7.506
  345    HG3  ARG  49           HG3      ARG  49 -12.052  -1.658  -6.215
  346    HD2  ARG  49           HD2      ARG  49 -10.256  -2.385  -7.691
  347    HD3  ARG  49           HD3      ARG  49 -10.032  -3.008  -6.059
  348    HE   ARG  49           HE       ARG  49 -11.328  -5.021  -7.366
  349   HH11  ARG  49          HH11      ARG  49  -8.424  -3.174  -8.006
  350   HH12  ARG  49          HH12      ARG  49  -7.596  -4.497  -8.763
  351   HH21  ARG  49          HH21      ARG  49 -10.238  -6.765  -8.369
  352   HH22  ARG  49          HH22      ARG  49  -8.623  -6.536  -8.970
  353    H    AAR  50           HN       AAR  50  -9.905  -3.801  -2.805
  354    HA   AAR  50           HA       AAR  50  -8.252  -5.451  -4.144
  355    HB2  AAR  50           HB2      AAR  50  -7.474  -6.112  -1.689
  356    HB3  AAR  50           HB3      AAR  50  -7.126  -4.559  -2.418
  357    HG2  AAR  50           HG2      AAR  50  -7.818  -4.153  -0.196
  358    HG3  AAR  50           HG3      AAR  50  -9.138  -3.647  -1.241
  359    HD2  AAR  50           HD2      AAR  50 -10.376  -5.647  -0.721
  360    HD3  AAR  50           HD3      AAR  50  -9.016  -6.295   0.199
  361    HE   AAR  50           HE       AAR  50  -9.513  -3.949   1.449
  362   HH11  AAR  50          HH21      AAR  50 -10.997  -3.620   3.167
  363   HH12  AAR  50          HH22      AAR  50 -12.345  -4.695   3.356
  364   HH21  AAR  50          HH11      AAR  50 -11.564  -6.658   0.561
  365   HH22  AAR  50          HH12      AAR  50 -12.673  -6.407   1.869
  366   HNT1  AAR  50          HNT1      AAR  50  -8.782  -7.318  -5.075
  367   HNT2  AAR  50          HNT2      AAR  50  -9.448  -8.697  -4.242
  Start of MODEL    2
    1    H1   SER   1           HT1      SER   1  11.189  -4.877   3.711
    2    H2   SER   1           HT2      SER   1   9.818  -4.011   3.759
    3    H3   SER   1           HT3      SER   1  11.162  -3.358   3.133
    4    HA   SER   1           HA       SER   1   9.697  -3.957   1.374
    5    HB2  SER   1           HB2      SER   1  11.292  -5.574   0.201
    6    HB3  SER   1           HB3      SER   1  11.999  -4.069   0.788
    7    HG   SER   1           HG       SER   1  12.186  -6.661   1.924
    8    H    TYR   2           HN       TYR   2   7.809  -4.896   2.525
    9    HA   TYR   2           HA       TYR   2   7.339  -7.538   3.095
   10    HB2  TYR   2           HB2      TYR   2   5.678  -5.681   3.249
   11    HB3  TYR   2           HB3      TYR   2   5.517  -5.713   1.501
   12    HD1  TYR   2           HD1      TYR   2   4.349  -7.568   0.394
   13    HD2  TYR   2           HD2      TYR   2   4.632  -7.350   4.634
   14    HE1  TYR   2           HE1      TYR   2   2.537  -9.217   0.596
   15    HE2  TYR   2           HE2      TYR   2   2.822  -9.000   4.845
   16    HH   TYR   2           HH       TYR   2   1.748 -10.888   2.288
   17    H    GLN   3           HN       GLN   3   7.178  -5.985  -0.070
   18    HA   GLN   3           HA       GLN   3   8.067  -8.485  -1.293
   19    HB2  GLN   3           HB2      GLN   3   5.615  -7.616  -1.793
   20    HB3  GLN   3           HB3      GLN   3   6.446  -6.449  -2.804
   21    HG2  GLN   3           HG2      GLN   3   5.700  -8.281  -4.148
   22    HG3  GLN   3           HG3      GLN   3   7.456  -8.307  -4.070
   23   HE21  GLN   3          HE21      GLN   3   5.540 -10.431  -4.682
   24   HE22  GLN   3          HE22      GLN   3   5.862 -11.700  -3.553
   25    H    ARG   4           HN       ARG   4   9.233  -7.757  -3.486
   26    HA   ARG   4           HA       ARG   4  11.414  -6.234  -2.790
   27    HB2  ARG   4           HB2      ARG   4  11.904  -6.113  -5.221
   28    HB3  ARG   4           HB3      ARG   4  11.529  -7.725  -4.642
   29    HG2  ARG   4           HG2      ARG   4  10.318  -7.692  -6.559
   30    HG3  ARG   4           HG3      ARG   4   9.113  -7.106  -5.431
   31    HD2  ARG   4           HD2      ARG   4   9.415  -5.868  -7.675
   32    HD3  ARG   4           HD3      ARG   4   9.242  -4.926  -6.199
   33    HE   ARG   4           HE       ARG   4  11.695  -4.654  -6.253
   34   HH11  ARG   4          HH11      ARG   4  10.065  -5.562  -9.222
   35   HH12  ARG   4          HH12      ARG   4  11.217  -4.762 -10.243
   36   HH21  ARG   4          HH21      ARG   4  13.202  -3.604  -7.593
   37   HH22  ARG   4          HH22      ARG   4  13.000  -3.650  -9.317
   38    H    ILE   5           HN       ILE   5  12.211  -4.227  -3.807
   39    HA   ILE   5           HA       ILE   5  10.215  -2.129  -3.388
   40    HB   ILE   5           HB       ILE   5  13.238  -2.060  -3.381
   41   HG12  ILE   5          HG12      ILE   5  12.264  -3.170  -1.426
   42   HG13  ILE   5          HG11      ILE   5  13.003  -1.639  -0.977
   43   HG21  ILE   5          HG21      ILE   5  13.055   0.239  -2.594
   44   HG22  ILE   5          HG22      ILE   5  11.305   0.169  -2.799
   45   HG23  ILE   5          HG23      ILE   5  12.362   0.045  -4.204
   46   HD11  ILE   5          HD11      ILE   5  10.771  -0.604  -0.960
   47   HD12  ILE   5          HD12      ILE   5  10.924  -1.930   0.192
   48   HD13  ILE   5          HD13      ILE   5  10.065  -2.179  -1.327
   49    H    ARG   6           HN       ARG   6   9.503  -0.893  -5.066
   50    HA   ARG   6           HA       ARG   6  10.805  -1.426  -7.646
   51    HB2  ARG   6           HB2      ARG   6   7.925  -0.700  -7.141
   52    HB3  ARG   6           HB3      ARG   6   8.633  -1.079  -8.689
   53    HG2  ARG   6           HG2      ARG   6   7.636  -3.059  -8.192
   54    HG3  ARG   6           HG3      ARG   6   9.226  -3.334  -7.474
   55    HD2  ARG   6           HD2      ARG   6   8.372  -2.584  -5.312
   56    HD3  ARG   6           HD3      ARG   6   6.781  -2.338  -6.018
   57    HE   ARG   6           HE       ARG   6   7.796  -4.717  -4.975
   58   HH11  ARG   6          HH11      ARG   6   6.045  -3.704  -7.863
   59   HH12  ARG   6          HH12      ARG   6   5.213  -5.217  -8.026
   60   HH21  ARG   6          HH21      ARG   6   6.676  -6.690  -5.224
   61   HH22  ARG   6          HH22      ARG   6   5.571  -6.898  -6.544
   62    H    SER   7           HN       SER   7   8.419   1.080  -6.805
   63    HA   SER   7           HA       SER   7   9.640   2.767  -8.763
   64    HB2  SER   7           HB2      SER   7   7.326   3.392  -6.926
   65    HB3  SER   7           HB3      SER   7   7.719   4.185  -8.452
   66    HG   SER   7           HG       SER   7   7.514   1.912  -9.319
   67    H    ASP   8           HN       ASP   8   9.674   2.672  -5.274
   68    HA   ASP   8           HA       ASP   8  11.497   4.918  -5.200
   69    HB2  ASP   8           HB2      ASP   8   8.993   5.733  -5.047
   70    HB3  ASP   8           HB3      ASP   8   9.149   5.158  -3.390
   71    H    HIS   9           HN       HIS   9  11.437   5.454  -2.505
   72    HA   HIS   9           HA       HIS   9  13.224   3.595  -1.587
   73    HB2  HIS   9           HB2      HIS   9  11.485   5.516  -0.048
   74    HB3  HIS   9           HB3      HIS   9  12.839   4.647   0.641
   75    HD1  HIS   9           HD1      HIS   9  12.026   7.423  -1.743
   76    HD2  HIS   9           HD2      HIS   9  15.354   5.670   0.041
   77    HE1  HIS   9           HE1      HIS   9  13.939   9.003  -2.164
   78    HE2  HIS   9           HE2      HIS   9  15.920   7.963  -1.011
   79    H    ASP  10           HN       ASP  10   9.757   3.757  -1.018
   80    HA   ASP  10           HA       ASP  10   9.907   1.104   0.239
   81    HB2  ASP  10           HB2      ASP  10   8.575   3.575   1.262
   82    HB3  ASP  10           HB3      ASP  10   7.857   2.010   1.606
   83    H    SER  11           HN       SER  11   9.001   2.371  -2.455
   84    HA   SER  11           HA       SER  11   6.161   1.949  -2.448
   85    HB2  SER  11           HB2      SER  11   7.321   3.634  -3.910
   86    HB3  SER  11           HB3      SER  11   7.959   2.290  -4.842
   87    HG   SER  11           HG       SER  11   5.455   3.385  -4.833
   88    H    HIS  12           HN       HIS  12   5.626  -0.106  -2.010
   89    HA   HIS  12           HA       HIS  12   6.184  -2.059  -4.078
   90    HB2  HIS  12           HB2      HIS  12   6.702  -3.840  -2.450
   91    HB3  HIS  12           HB3      HIS  12   7.919  -2.575  -2.461
   92    HD1  HIS  12           HD1      HIS  12   5.126  -3.974  -0.314
   93    HD2  HIS  12           HD2      HIS  12   8.278  -1.275  -0.026
   94    HE1  HIS  12           HE1      HIS  12   5.351  -3.420   2.139
   95    HE2  HIS  12           HE2      HIS  12   7.270  -1.802   2.284
   96    H    SER  13           HN       SER  13   4.871  -4.092  -3.641
   97    HA   SER  13           HA       SER  13   2.176  -3.363  -2.989
   98    HB2  SER  13           HB2      SER  13   1.764  -5.821  -3.504
   99    HB3  SER  13           HB3      SER  13   2.460  -4.874  -4.819
  100    HG   SER  13           HG       SER  13   3.624  -6.766  -4.650
  101    H    CYS  14           HN       CYS  14   0.933  -4.203  -1.324
  102    HA   CYS  14           HA       CYS  14   2.274  -5.810   0.724
  103    HB2  CYS  14           HB2      CYS  14   1.263  -4.401   2.495
  104    HB3  CYS  14           HB3      CYS  14   2.453  -3.535   1.534
  105    H    ALA  15           HN       ALA  15   0.520  -6.512   2.383
  106    HA   ALA  15           HA       ALA  15  -1.294  -7.829   2.753
  107    HB1  ALA  15           HB1      ALA  15  -3.453  -6.908   2.105
  108    HB2  ALA  15           HB2      ALA  15  -2.654  -5.788   1.002
  109    HB3  ALA  15           HB3      ALA  15  -2.392  -5.649   2.742
  110    H    ASN  16           HN       ASN  16   0.361  -8.556   0.457
  111    HA   ASN  16           HA       ASN  16   0.422 -10.040  -1.246
  112    HB2  ASN  16           HB2      ASN  16  -2.233 -10.816  -0.056
  113    HB3  ASN  16           HB3      ASN  16  -1.521 -11.672  -1.415
  114   HD21  ASN  16          HD21      ASN  16  -1.479 -11.163   1.974
  115   HD22  ASN  16          HD22      ASN  16  -0.259 -12.327   2.356
  116    H    ASN  17           HN       ASN  17   0.166  -7.823  -2.328
  117    HA   ASN  17           HA       ASN  17  -0.395  -6.839  -4.318
  118    HB2  ASN  17           HB2      ASN  17  -1.165  -8.349  -5.800
  119    HB3  ASN  17           HB3      ASN  17  -1.928  -9.307  -4.534
  120   HD21  ASN  17          HD21      ASN  17  -4.022  -8.701  -3.824
  121   HD22  ASN  17          HD22      ASN  17  -5.105  -7.795  -4.838
  122    H    ARG  18           HN       ARG  18  -2.764  -7.490  -1.856
  123    HA   ARG  18           HA       ARG  18  -4.734  -5.684  -2.859
  124    HB2  ARG  18           HB2      ARG  18  -4.475  -7.151  -0.233
  125    HB3  ARG  18           HB3      ARG  18  -5.854  -6.146  -0.655
  126    HG2  ARG  18           HG2      ARG  18  -6.729  -8.053  -1.415
  127    HG3  ARG  18           HG3      ARG  18  -5.709  -7.768  -2.817
  128    HD2  ARG  18           HD2      ARG  18  -5.335 -10.001  -2.200
  129    HD3  ARG  18           HD3      ARG  18  -3.931  -9.099  -1.631
  130    HE   ARG  18           HE       ARG  18  -5.095  -9.142   0.602
  131   HH11  ARG  18          HH11      ARG  18  -5.600 -11.637  -1.799
  132   HH12  ARG  18          HH12      ARG  18  -5.922 -12.872  -0.629
  133   HH21  ARG  18          HH21      ARG  18  -5.529 -10.762   2.144
  134   HH22  ARG  18          HH22      ARG  18  -5.886 -12.374   1.614
  135    H    GLY  19           HN       GLY  19  -2.074  -4.622  -2.284
  136    HA2  GLY  19           HA2      GLY  19  -2.853  -2.175  -0.982
  137    HA3  GLY  19           HA1      GLY  19  -1.764  -3.158  -0.021
  138    H    TRP  20           HN       TRP  20  -1.491  -0.499  -1.627
  139    HA   TRP  20           HA       TRP  20   1.198  -1.282  -2.517
  140    HB2  TRP  20           HB2      TRP  20  -0.298  -0.656  -4.514
  141    HB3  TRP  20           HB3      TRP  20  -0.268   0.978  -3.865
  142    HD1  TRP  20           HD1      TRP  20   1.923   2.385  -4.164
  143    HE1  TRP  20           HE1      TRP  20   4.132   2.022  -5.363
  144    HE3  TRP  20           HE3      TRP  20   1.440  -2.592  -5.210
  145    HZ2  TRP  20           HZ2      TRP  20   5.523  -0.108  -6.584
  146    HZ3  TRP  20           HZ3      TRP  20   3.281  -3.712  -6.395
  147    HH2  TRP  20           HH2      TRP  20   5.275  -2.491  -7.070
  148    H    CYS  21           HN       CYS  21   2.806  -0.034  -1.851
  149    HA   CYS  21           HA       CYS  21   2.287   1.922   0.183
  150    HB2  CYS  21           HB2      CYS  21   4.912   1.204  -1.107
  151    HB3  CYS  21           HB3      CYS  21   4.658   1.935   0.473
  152    H    ARG  22           HN       ARG  22   1.327   3.680  -0.671
  153    HA   ARG  22           HA       ARG  22   2.822   5.177  -2.736
  154    HB2  ARG  22           HB2      ARG  22  -0.151   5.219  -2.207
  155    HB3  ARG  22           HB3      ARG  22   0.674   6.130  -3.451
  156    HG2  ARG  22           HG2      ARG  22   1.256   4.025  -4.560
  157    HG3  ARG  22           HG3      ARG  22   0.377   3.139  -3.306
  158    HD2  ARG  22           HD2      ARG  22  -1.596   4.658  -3.937
  159    HD3  ARG  22           HD3      ARG  22  -0.684   5.001  -5.398
  160    HE   ARG  22           HE       ARG  22  -2.209   2.689  -4.823
  161   HH11  ARG  22          HH11      ARG  22   0.668   3.739  -6.527
  162   HH12  ARG  22          HH12      ARG  22   0.583   2.461  -7.696
  163   HH21  ARG  22          HH21      ARG  22  -2.341   1.053  -6.347
  164   HH22  ARG  22          HH22      ARG  22  -1.137   0.920  -7.595
  165    HA   PRO  23           HA       PRO  23   2.776   8.507   0.268
  166    HB2  PRO  23           HB2      PRO  23   3.018  10.655  -1.353
  167    HB3  PRO  23           HB3      PRO  23   4.357   9.548  -1.053
  168    HG2  PRO  23           HG2      PRO  23   2.546   9.740  -3.413
  169    HG3  PRO  23           HG3      PRO  23   4.280   9.388  -3.358
  170    HD2  PRO  23           HD2      PRO  23   2.309   7.488  -3.665
  171    HD3  PRO  23           HD3      PRO  23   3.929   7.157  -3.025
  172    H    THR  24           HN       THR  24   0.503   8.230  -2.274
  173    HA   THR  24           HA       THR  24  -1.559   9.474  -0.697
  174    HB   THR  24           HB       THR  24  -0.849  11.451  -1.831
  175    HG1  THR  24           HG1      THR  24  -3.057  10.369  -3.283
  176   HG21  THR  24          HG21      THR  24  -0.968   9.877  -4.404
  177   HG22  THR  24          HG22      THR  24   0.499  10.402  -3.579
  178   HG23  THR  24          HG23      THR  24  -0.604  11.598  -4.258
  179    H    CYS  25           HN       CYS  25  -3.456   8.467  -1.011
  180    HA   CYS  25           HA       CYS  25  -3.474   6.185  -2.770
  181    HB2  CYS  25           HB2      CYS  25  -5.595   7.232  -0.888
  182    HB3  CYS  25           HB3      CYS  25  -5.580   5.645  -1.651
  183    H    PHE  26           HN       PHE  26  -4.719   5.863  -4.546
  184    HA   PHE  26           HA       PHE  26  -5.673   8.245  -5.880
  185    HB2  PHE  26           HB2      PHE  26  -5.547   5.346  -6.713
  186    HB3  PHE  26           HB3      PHE  26  -6.154   6.634  -7.750
  187    HD1  PHE  26           HD1      PHE  26  -3.269   4.884  -6.596
  188    HD2  PHE  26           HD2      PHE  26  -4.586   8.547  -8.312
  189    HE1  PHE  26           HE1      PHE  26  -0.978   5.349  -7.353
  190    HE2  PHE  26           HE2      PHE  26  -2.295   9.019  -9.070
  191    HZ   PHE  26           HZ       PHE  26  -0.486   7.416  -8.590
  192    H    SER  27           HN       SER  27  -7.816   7.854  -7.200
  193    HA   SER  27           HA       SER  27  -9.857   7.823  -5.193
  194    HB2  SER  27           HB2      SER  27 -10.113   8.171  -8.188
  195    HB3  SER  27           HB3      SER  27 -11.321   8.603  -6.977
  196    HG   SER  27           HG       SER  27  -9.544  10.189  -7.899
  197    H    HIS  28           HN       HIS  28  -8.690   5.280  -5.497
  198    HA   HIS  28           HA       HIS  28 -11.093   3.732  -5.767
  199    HB2  HIS  28           HB2      HIS  28 -10.274   2.112  -7.366
  200    HB3  HIS  28           HB3      HIS  28 -10.245   3.707  -8.111
  201    HD1  HIS  28           HD1      HIS  28  -8.251   0.776  -7.735
  202    HD2  HIS  28           HD2      HIS  28  -7.440   4.847  -7.912
  203    HE1  HIS  28           HE1      HIS  28  -5.815   0.951  -8.321
  204    HE2  HIS  28           HE2      HIS  28  -5.378   3.418  -8.560
  205    H    GLU  29           HN       GLU  29  -9.097   4.521  -3.770
  206    HA   GLU  29           HA       GLU  29  -8.266   1.886  -2.839
  207    HB2  GLU  29           HB2      GLU  29  -6.339   4.180  -3.216
  208    HB3  GLU  29           HB3      GLU  29  -5.966   2.674  -2.394
  209    HG2  GLU  29           HG2      GLU  29  -6.178   1.439  -4.431
  210    HG3  GLU  29           HG3      GLU  29  -6.796   2.854  -5.283
  211    H    TYR  30           HN       TYR  30  -7.094   2.216  -0.624
  212    HA   TYR  30           HA       TYR  30  -8.021   4.542   0.850
  213    HB2  TYR  30           HB2      TYR  30  -9.172   3.248   2.556
  214    HB3  TYR  30           HB3      TYR  30  -9.905   2.942   0.988
  215    HD1  TYR  30           HD1      TYR  30  -9.752   0.746  -0.055
  216    HD2  TYR  30           HD2      TYR  30  -7.897   1.521   3.700
  217    HE1  TYR  30           HE1      TYR  30  -9.509  -1.682   0.322
  218    HE2  TYR  30           HE2      TYR  30  -7.639  -0.881   4.080
  219    HH   TYR  30           HH       TYR  30  -8.535  -2.942   3.408
  220    H    THR  31           HN       THR  31  -7.065   4.641   3.020
  221    HA   THR  31           HA       THR  31  -4.333   3.685   2.923
  222    HB   THR  31           HB       THR  31  -5.657   5.327   5.091
  223    HG1  THR  31           HG1      THR  31  -5.249   6.006   2.571
  224   HG21  THR  31          HG21      THR  31  -3.543   4.347   5.768
  225   HG22  THR  31          HG22      THR  31  -3.342   6.083   5.518
  226   HG23  THR  31          HG23      THR  31  -2.769   4.944   4.300
  227    H    ASP  32           HN       ASP  32  -4.004   1.656   3.515
  228    HA   ASP  32           HA       ASP  32  -5.299   0.559   5.889
  229    HB2  ASP  32           HB2      ASP  32  -4.889  -0.803   3.783
  230    HB3  ASP  32           HB3      ASP  32  -3.191  -0.721   4.158
  231    H    TRP  33           HN       TRP  33  -4.384   0.702   7.830
  232    HA   TRP  33           HA       TRP  33  -1.778   1.962   8.023
  233    HB2  TRP  33           HB2      TRP  33  -4.027   1.444   9.952
  234    HB3  TRP  33           HB3      TRP  33  -2.464   2.080  10.474
  235    HD1  TRP  33           HD1      TRP  33  -5.650   3.130   8.766
  236    HE1  TRP  33           HE1      TRP  33  -5.483   5.624   8.119
  237    HE3  TRP  33           HE3      TRP  33  -0.715   3.817   9.705
  238    HZ2  TRP  33           HZ2      TRP  33  -3.453   7.620   8.001
  239    HZ3  TRP  33           HZ3      TRP  33   0.290   6.019   9.283
  240    HH2  TRP  33           HH2      TRP  33  -1.047   7.869   8.441
  241    H    PHE  34           HN       PHE  34  -3.160  -1.114   8.334
  242    HA   PHE  34           HA       PHE  34  -1.290  -2.371  10.038
  243    HB2  PHE  34           HB2      PHE  34  -2.879  -3.442   7.695
  244    HB3  PHE  34           HB3      PHE  34  -2.075  -4.434   8.913
  245    HD1  PHE  34           HD1      PHE  34  -2.962  -4.604  11.150
  246    HD2  PHE  34           HD2      PHE  34  -4.889  -2.283   8.168
  247    HE1  PHE  34           HE1      PHE  34  -4.996  -4.530  12.538
  248    HE2  PHE  34           HE2      PHE  34  -6.934  -2.194   9.541
  249    HZ   PHE  34           HZ       PHE  34  -6.987  -3.319  11.734
  250    H    ASN  35           HN       ASN  35  -1.638  -2.457   6.530
  251    HA   ASN  35           HA       ASN  35   1.043  -3.369   6.202
  252    HB2  ASN  35           HB2      ASN  35  -1.124  -2.593   4.275
  253    HB3  ASN  35           HB3      ASN  35   0.494  -3.003   3.729
  254   HD21  ASN  35          HD21      ASN  35  -2.442  -4.160   5.071
  255   HD22  ASN  35          HD22      ASN  35  -2.101  -5.850   4.920
  256    H    ASN  36           HN       ASN  36  -0.288  -0.369   6.771
  257    HA   ASN  36           HA       ASN  36   1.475   1.290   5.310
  258    HB2  ASN  36           HB2      ASN  36  -0.580   2.035   6.607
  259    HB3  ASN  36           HB3      ASN  36   0.390   1.892   8.058
  260   HD21  ASN  36          HD21      ASN  36  -0.921   4.125   6.648
  261   HD22  ASN  36          HD22      ASN  36   0.303   5.328   6.497
  262    H    ASP  37           HN       ASP  37   1.725  -0.540   8.270
  263    HA   ASP  37           HA       ASP  37   4.189   0.525   9.141
  264    HB2  ASP  37           HB2      ASP  37   2.678  -0.803  10.595
  265    HB3  ASP  37           HB3      ASP  37   3.088  -2.236   9.661
  266    H    VAL  38           HN       VAL  38   3.355  -2.281   7.111
  267    HA   VAL  38           HA       VAL  38   6.074  -3.073   6.709
  268    HB   VAL  38           HB       VAL  38   5.368  -4.556   5.047
  269   HG11  VAL  38          HG11      VAL  38   4.551  -5.171   7.235
  270   HG12  VAL  38          HG12      VAL  38   3.416  -5.692   5.990
  271   HG13  VAL  38          HG13      VAL  38   3.067  -4.261   6.958
  272   HG21  VAL  38          HG21      VAL  38   2.803  -3.010   4.712
  273   HG22  VAL  38          HG22      VAL  38   3.270  -4.469   3.830
  274   HG23  VAL  38          HG23      VAL  38   4.182  -2.973   3.610
  275    H    CYS  39           HN       CYS  39   4.086  -0.676   5.316
  276    HA   CYS  39           HA       CYS  39   5.581  -0.367   2.898
  277    HB2  CYS  39           HB2      CYS  39   3.311   1.130   4.166
  278    HB3  CYS  39           HB3      CYS  39   4.125   1.754   2.734
  279    H    GLY  40           HN       GLY  40   6.489   0.388   5.927
  280    HA2  GLY  40           HA2      GLY  40   8.161   1.734   6.747
  281    HA3  GLY  40           HA1      GLY  40   8.668   1.923   5.080
  282    H    SER  41           HN       SER  41   8.525   3.862   4.194
  283    HA   SER  41           HA       SER  41   7.466   6.017   5.829
  284    HB2  SER  41           HB2      SER  41   9.730   6.097   4.781
  285    HB3  SER  41           HB3      SER  41   8.953   6.156   3.203
  286    HG   SER  41           HG       SER  41   7.802   8.067   4.174
  287    H    TYR  42           HN       TYR  42   6.251   4.042   3.482
  288    HA   TYR  42           HA       TYR  42   4.437   6.100   2.400
  289    HB2  TYR  42           HB2      TYR  42   5.297   3.396   1.449
  290    HB3  TYR  42           HB3      TYR  42   3.770   4.073   0.905
  291    HD1  TYR  42           HD1      TYR  42   4.494   6.919   0.587
  292    HD2  TYR  42           HD2      TYR  42   6.632   3.395  -0.440
  293    HE1  TYR  42           HE1      TYR  42   5.629   8.134  -1.215
  294    HE2  TYR  42           HE2      TYR  42   7.772   4.605  -2.231
  295    HH   TYR  42           HH       TYR  42   7.651   8.000  -2.551
  296    H    ARG  43           HN       ARG  43   2.221   5.219   1.954
  297    HA   ARG  43           HA       ARG  43   1.269   3.711   4.293
  298    HB2  ARG  43           HB2      ARG  43  -0.791   5.005   4.136
  299    HB3  ARG  43           HB3      ARG  43   0.584   6.088   4.275
  300    HG2  ARG  43           HG2      ARG  43   0.418   6.029   1.630
  301    HG3  ARG  43           HG3      ARG  43  -1.260   5.642   2.012
  302    HD2  ARG  43           HD2      ARG  43  -1.063   8.008   1.758
  303    HD3  ARG  43           HD3      ARG  43  -1.340   7.642   3.458
  304    HE   ARG  43           HE       ARG  43   1.437   7.907   2.791
  305   HH11  ARG  43          HH11      ARG  43  -1.479   9.637   3.634
  306   HH12  ARG  43          HH12      ARG  43  -0.639  11.011   4.278
  307   HH21  ARG  43          HH21      ARG  43   2.563   9.715   3.640
  308   HH22  ARG  43          HH22      ARG  43   1.669  11.057   4.279
  309    H    CYS  44           HN       CYS  44  -0.305   2.091   3.898
  310    HA   CYS  44           HA       CYS  44  -0.014   0.945   1.274
  311    HB2  CYS  44           HB2      CYS  44   0.063  -0.512   3.203
  312    HB3  CYS  44           HB3      CYS  44  -1.540  -0.048   3.680
  313    H    CYS  45           HN       CYS  45  -1.097   2.104  -0.174
  314    HA   CYS  45           HA       CYS  45  -3.878   2.762   0.189
  315    HB2  CYS  45           HB2      CYS  45  -2.045   2.998  -2.205
  316    HB3  CYS  45           HB3      CYS  45  -3.685   3.641  -2.118
  317    H    ARG  46           HN       ARG  46  -4.860   0.828   0.491
  318    HA   ARG  46           HA       ARG  46  -4.549  -1.364  -1.349
  319    HB2  ARG  46           HB2      ARG  46  -6.560  -0.906   0.862
  320    HB3  ARG  46           HB3      ARG  46  -6.326  -2.419  -0.002
  321    HG2  ARG  46           HG2      ARG  46  -3.992  -2.465   0.861
  322    HG3  ARG  46           HG3      ARG  46  -4.377  -1.045   1.832
  323    HD2  ARG  46           HD2      ARG  46  -4.641  -2.910   3.259
  324    HD3  ARG  46           HD3      ARG  46  -6.268  -2.388   2.826
  325    HE   ARG  46           HE       ARG  46  -5.588  -4.338   1.004
  326   HH11  ARG  46          HH11      ARG  46  -5.840  -4.107   4.487
  327   HH12  ARG  46          HH12      ARG  46  -6.364  -5.751   4.689
  328   HH21  ARG  46          HH21      ARG  46  -6.302  -6.518   1.275
  329   HH22  ARG  46          HH22      ARG  46  -6.629  -7.116   2.867
  330    HA   PRO  47           HA       PRO  47  -7.612  -0.094  -4.383
  331    HB2  PRO  47           HB2      PRO  47  -7.976  -3.062  -4.370
  332    HB3  PRO  47           HB3      PRO  47  -7.812  -1.961  -5.740
  333    HG2  PRO  47           HG2      PRO  47  -5.772  -3.495  -4.973
  334    HG3  PRO  47           HG3      PRO  47  -5.508  -1.833  -5.536
  335    HD2  PRO  47           HD2      PRO  47  -5.407  -2.938  -2.778
  336    HD3  PRO  47           HD3      PRO  47  -4.503  -1.586  -3.490
  337    H    GLY  48           HN       GLY  48  -9.700   0.445  -3.994
  338    HA2  GLY  48           HA2      GLY  48 -10.805  -0.173  -1.455
  339    HA3  GLY  48           HA1      GLY  48 -11.581   0.775  -2.709
  340    H    ARG  49           HN       ARG  49 -10.548  -2.496  -3.228
  341    HA   ARG  49           HA       ARG  49 -13.093  -3.596  -2.418
  342    HB2  ARG  49           HB2      ARG  49 -13.345  -4.894  -4.543
  343    HB3  ARG  49           HB3      ARG  49 -13.646  -3.180  -4.701
  344    HG2  ARG  49           HG2      ARG  49 -10.999  -4.370  -5.404
  345    HG3  ARG  49           HG3      ARG  49 -12.344  -4.346  -6.539
  346    HD2  ARG  49           HD2      ARG  49 -10.935  -1.996  -5.292
  347    HD3  ARG  49           HD3      ARG  49 -10.992  -2.442  -6.997
  348    HE   ARG  49           HE       ARG  49 -13.571  -1.902  -5.816
  349   HH11  ARG  49          HH11      ARG  49 -10.838  -0.568  -7.557
  350   HH12  ARG  49          HH12      ARG  49 -11.712   0.829  -8.102
  351   HH21  ARG  49          HH21      ARG  49 -14.705  -0.058  -6.496
  352   HH22  ARG  49          HH22      ARG  49 -13.913   1.127  -7.485
  353    H    AAR  50           HN       AAR  50  -9.860  -4.097  -3.704
  354    HA   AAR  50           HA       AAR  50  -8.520  -5.929  -3.699
  355    HB2  AAR  50           HB2      AAR  50  -7.810  -6.323  -1.203
  356    HB3  AAR  50           HB3      AAR  50  -7.387  -4.871  -2.081
  357    HG2  AAR  50           HG2      AAR  50  -8.058  -4.126   0.018
  358    HG3  AAR  50           HG3      AAR  50  -9.439  -3.810  -1.027
  359    HD2  AAR  50           HD2      AAR  50 -10.615  -5.692  -0.157
  360    HD3  AAR  50           HD3      AAR  50  -9.190  -6.248   0.720
  361    HE   AAR  50           HE       AAR  50  -9.480  -3.894   1.845
  362   HH11  AAR  50          HH21      AAR  50 -10.900  -3.222   3.506
  363   HH12  AAR  50          HH22      AAR  50 -12.437  -4.002   3.693
  364   HH21  AAR  50          HH11      AAR  50 -11.962  -6.225   1.022
  365   HH22  AAR  50          HH12      AAR  50 -13.042  -5.712   2.276
  366   HNT1  AAR  50          HNT1      AAR  50  -9.914  -7.525  -4.575
  367   HNT2  AAR  50          HNT2      AAR  50 -10.413  -8.867  -3.581
  Start of MODEL    3
    1    H1   SER   1           HT1      SER   1   9.185  -4.196   3.065
    2    H2   SER   1           HT2      SER   1  10.449  -3.525   2.301
    3    H3   SER   1           HT3      SER   1  10.539  -5.061   2.820
    4    HA   SER   1           HA       SER   1   8.741  -4.083   0.729
    5    HB2  SER   1           HB2      SER   1  11.153  -5.888   0.486
    6    HB3  SER   1           HB3      SER   1  10.170  -5.239  -0.824
    7    HG   SER   1           HG       SER   1  12.299  -4.164  -0.074
    8    H    TYR   2           HN       TYR   2   6.939  -5.109   1.671
    9    HA   TYR   2           HA       TYR   2   6.773  -7.761   2.485
   10    HB2  TYR   2           HB2      TYR   2   5.023  -5.916   2.689
   11    HB3  TYR   2           HB3      TYR   2   4.572  -6.290   1.031
   12    HD1  TYR   2           HD1      TYR   2   2.974  -7.938   0.617
   13    HD2  TYR   2           HD2      TYR   2   4.952  -7.875   4.380
   14    HE1  TYR   2           HE1      TYR   2   1.462  -9.696   1.434
   15    HE2  TYR   2           HE2      TYR   2   3.452  -9.637   5.207
   16    HH   TYR   2           HH       TYR   2   1.224 -10.531   4.728
   17    H    GLN   3           HN       GLN   3   6.752  -6.376  -0.733
   18    HA   GLN   3           HA       GLN   3   7.329  -9.034  -1.762
   19    HB2  GLN   3           HB2      GLN   3   4.852  -8.435  -2.139
   20    HB3  GLN   3           HB3      GLN   3   5.446  -7.242  -3.291
   21    HG2  GLN   3           HG2      GLN   3   6.566  -9.028  -4.543
   22    HG3  GLN   3           HG3      GLN   3   5.939 -10.212  -3.400
   23   HE21  GLN   3          HE21      GLN   3   5.240  -8.173  -6.074
   24   HE22  GLN   3          HE22      GLN   3   3.646  -8.772  -6.388
   25    H    ARG   4           HN       ARG   4   9.376  -7.897  -1.476
   26    HA   ARG   4           HA       ARG   4  11.144  -6.655  -2.023
   27    HB2  ARG   4           HB2      ARG   4  11.944  -7.058  -4.274
   28    HB3  ARG   4           HB3      ARG   4  11.332  -8.504  -3.517
   29    HG2  ARG   4           HG2      ARG   4  10.399  -8.807  -5.534
   30    HG3  ARG   4           HG3      ARG   4   9.146  -7.758  -4.871
   31    HD2  ARG   4           HD2      ARG   4   9.962  -5.875  -6.013
   32    HD3  ARG   4           HD3      ARG   4  11.507  -6.656  -6.360
   33    HE   ARG   4           HE       ARG   4   8.946  -7.424  -7.614
   34   HH11  ARG   4          HH11      ARG   4  12.431  -7.071  -7.713
   35   HH12  ARG   4          HH12      ARG   4  12.557  -7.529  -9.377
   36   HH21  ARG   4          HH21      ARG   4   9.114  -8.021  -9.815
   37   HH22  ARG   4          HH22      ARG   4  10.671  -8.064 -10.574
   38    H    ILE   5           HN       ILE   5  12.018  -5.188  -4.078
   39    HA   ILE   5           HA       ILE   5  10.461  -2.746  -3.666
   40    HB   ILE   5           HB       ILE   5  13.323  -3.188  -4.533
   41   HG12  ILE   5          HG12      ILE   5  12.179  -1.970  -2.013
   42   HG13  ILE   5          HG11      ILE   5  12.816  -3.605  -2.144
   43   HG21  ILE   5          HG21      ILE   5  11.873  -0.582  -4.107
   44   HG22  ILE   5          HG22      ILE   5  12.438  -1.220  -5.651
   45   HG23  ILE   5          HG23      ILE   5  13.602  -0.762  -4.407
   46   HD11  ILE   5          HD11      ILE   5  15.018  -2.710  -2.667
   47   HD12  ILE   5          HD12      ILE   5  14.423  -2.097  -1.123
   48   HD13  ILE   5          HD13      ILE   5  14.380  -1.070  -2.556
   49    H    ARG   6           HN       ARG   6   9.355  -1.841  -5.305
   50    HA   ARG   6           HA       ARG   6  10.024  -2.718  -8.020
   51    HB2  ARG   6           HB2      ARG   6   7.442  -2.363  -6.641
   52    HB3  ARG   6           HB3      ARG   6   7.500  -1.850  -8.325
   53    HG2  ARG   6           HG2      ARG   6   6.865  -4.009  -8.560
   54    HG3  ARG   6           HG3      ARG   6   8.612  -4.197  -8.653
   55    HD2  ARG   6           HD2      ARG   6   8.156  -5.830  -7.138
   56    HD3  ARG   6           HD3      ARG   6   8.329  -4.469  -6.030
   57    HE   ARG   6           HE       ARG   6   6.172  -4.813  -5.435
   58   HH11  ARG   6          HH11      ARG   6   6.592  -6.012  -8.706
   59   HH12  ARG   6          HH12      ARG   6   4.942  -6.509  -8.882
   60   HH21  ARG   6          HH21      ARG   6   3.977  -5.501  -5.670
   61   HH22  ARG   6          HH22      ARG   6   3.455  -6.204  -7.168
   62    H    SER   7           HN       SER   7   8.056  -0.031  -6.734
   63    HA   SER   7           HA       SER   7   9.023   1.627  -8.886
   64    HB2  SER   7           HB2      SER   7   7.137   2.329  -6.624
   65    HB3  SER   7           HB3      SER   7   7.349   3.213  -8.135
   66    HG   SER   7           HG       SER   7   6.435   1.535  -9.248
   67    H    ASP   8           HN       ASP   8   9.206   1.574  -5.371
   68    HA   ASP   8           HA       ASP   8  11.681   3.089  -5.456
   69    HB2  ASP   8           HB2      ASP   8   9.261   3.980  -3.873
   70    HB3  ASP   8           HB3      ASP   8  10.896   4.520  -3.521
   71    H    HIS   9           HN       HIS   9  12.546   3.181  -3.081
   72    HA   HIS   9           HA       HIS   9  12.954   0.598  -2.199
   73    HB2  HIS   9           HB2      HIS   9  14.429   2.416  -1.542
   74    HB3  HIS   9           HB3      HIS   9  13.136   3.172  -0.619
   75    HD1  HIS   9           HD1      HIS   9  15.583   0.336  -0.492
   76    HD2  HIS   9           HD2      HIS   9  12.660   2.068   1.900
   77    HE1  HIS   9           HE1      HIS   9  15.863  -0.700   1.779
   78    HE2  HIS   9           HE2      HIS   9  13.988   0.246   3.164
   79    H    ASP  10           HN       ASP  10  10.644   2.987  -0.975
   80    HA   ASP  10           HA       ASP  10   9.527   1.012   0.850
   81    HB2  ASP  10           HB2      ASP  10   8.853   3.926   0.402
   82    HB3  ASP  10           HB3      ASP  10   8.055   2.896   1.580
   83    H    SER  11           HN       SER  11   9.001   2.124  -2.320
   84    HA   SER  11           HA       SER  11   6.126   1.820  -2.237
   85    HB2  SER  11           HB2      SER  11   7.324   3.565  -3.645
   86    HB3  SER  11           HB3      SER  11   7.783   2.244  -4.714
   87    HG   SER  11           HG       SER  11   5.155   3.073  -4.035
   88    H    HIS  12           HN       HIS  12   5.629  -0.239  -1.869
   89    HA   HIS  12           HA       HIS  12   6.137  -2.134  -4.024
   90    HB2  HIS  12           HB2      HIS  12   6.588  -3.944  -2.379
   91    HB3  HIS  12           HB3      HIS  12   7.849  -2.719  -2.405
   92    HD1  HIS  12           HD1      HIS  12   5.025  -4.015  -0.256
   93    HD2  HIS  12           HD2      HIS  12   8.210  -1.351   0.007
   94    HE1  HIS  12           HE1      HIS  12   5.238  -3.426   2.185
   95    HE2  HIS  12           HE2      HIS  12   7.198  -1.856   2.325
   96    H    SER  13           HN       SER  13   4.753  -4.182  -3.540
   97    HA   SER  13           HA       SER  13   2.103  -3.303  -2.823
   98    HB2  SER  13           HB2      SER  13   1.536  -5.735  -3.405
   99    HB3  SER  13           HB3      SER  13   2.134  -4.714  -4.713
  100    HG   SER  13           HG       SER  13   3.092  -6.906  -4.418
  101    H    CYS  14           HN       CYS  14   0.810  -4.286  -1.245
  102    HA   CYS  14           HA       CYS  14   2.173  -5.894   0.786
  103    HB2  CYS  14           HB2      CYS  14   1.164  -4.507   2.568
  104    HB3  CYS  14           HB3      CYS  14   2.325  -3.613   1.597
  105    H    ALA  15           HN       ALA  15   0.408  -6.586   2.458
  106    HA   ALA  15           HA       ALA  15  -1.409  -7.903   2.829
  107    HB1  ALA  15           HB1      ALA  15  -2.754  -5.878   1.044
  108    HB2  ALA  15           HB2      ALA  15  -2.501  -5.716   2.784
  109    HB3  ALA  15           HB3      ALA  15  -3.562  -6.980   2.160
  110    H    ASN  16           HN       ASN  16   0.262  -8.553   0.463
  111    HA   ASN  16           HA       ASN  16   0.329 -10.078  -1.204
  112    HB2  ASN  16           HB2      ASN  16  -2.312 -10.910  -0.008
  113    HB3  ASN  16           HB3      ASN  16  -1.509 -11.796  -1.293
  114   HD21  ASN  16          HD21      ASN  16   1.171 -11.464  -0.275
  115   HD22  ASN  16          HD22      ASN  16   1.289 -12.435   1.146
  116    H    ASN  17           HN       ASN  17   0.017  -7.902  -2.308
  117    HA   ASN  17           HA       ASN  17  -0.580  -6.969  -4.308
  118    HB2  ASN  17           HB2      ASN  17  -1.400  -8.498  -5.742
  119    HB3  ASN  17           HB3      ASN  17  -2.134  -9.429  -4.439
  120   HD21  ASN  17          HD21      ASN  17  -4.206  -8.809  -3.694
  121   HD22  ASN  17          HD22      ASN  17  -5.309  -7.906  -4.684
  122    H    ARG  18           HN       ARG  18  -2.848  -7.503  -1.736
  123    HA   ARG  18           HA       ARG  18  -4.815  -5.689  -2.756
  124    HB2  ARG  18           HB2      ARG  18  -4.569  -7.161  -0.130
  125    HB3  ARG  18           HB3      ARG  18  -5.929  -6.126  -0.546
  126    HG2  ARG  18           HG2      ARG  18  -6.843  -8.025  -1.275
  127    HG3  ARG  18           HG3      ARG  18  -5.858  -7.744  -2.698
  128    HD2  ARG  18           HD2      ARG  18  -5.500  -9.988  -2.125
  129    HD3  ARG  18           HD3      ARG  18  -4.072  -9.120  -1.563
  130    HE   ARG  18           HE       ARG  18  -5.040  -9.222   0.684
  131   HH11  ARG  18          HH11      ARG  18  -6.235 -11.467  -1.727
  132   HH12  ARG  18          HH12      ARG  18  -6.711 -12.654  -0.560
  133   HH21  ARG  18          HH21      ARG  18  -5.684 -10.790   2.212
  134   HH22  ARG  18          HH22      ARG  18  -6.400 -12.276   1.668
  135    H    GLY  19           HN       GLY  19  -2.177  -4.630  -2.303
  136    HA2  GLY  19           HA2      GLY  19  -2.871  -2.203  -0.935
  137    HA3  GLY  19           HA1      GLY  19  -1.785  -3.214  -0.004
  138    H    TRP  20           HN       TRP  20  -1.578  -0.552  -1.703
  139    HA   TRP  20           HA       TRP  20   1.127  -1.320  -2.565
  140    HB2  TRP  20           HB2      TRP  20  -0.381  -0.664  -4.560
  141    HB3  TRP  20           HB3      TRP  20  -0.317   0.963  -3.902
  142    HD1  TRP  20           HD1      TRP  20   1.850   2.351  -4.271
  143    HE1  TRP  20           HE1      TRP  20   4.094   1.942  -5.417
  144    HE3  TRP  20           HE3      TRP  20   1.370  -2.651  -5.180
  145    HZ2  TRP  20           HZ2      TRP  20   5.496  -0.235  -6.557
  146    HZ3  TRP  20           HZ3      TRP  20   3.220  -3.817  -6.305
  147    HH2  TRP  20           HH2      TRP  20   5.239  -2.634  -6.981
  148    H    CYS  21           HN       CYS  21   2.752  -0.046  -1.943
  149    HA   CYS  21           HA       CYS  21   2.225   1.909   0.105
  150    HB2  CYS  21           HB2      CYS  21   4.855   1.130  -1.128
  151    HB3  CYS  21           HB3      CYS  21   4.597   1.901   0.428
  152    H    ARG  22           HN       ARG  22   1.286   3.646  -0.799
  153    HA   ARG  22           HA       ARG  22   2.862   5.162  -2.785
  154    HB2  ARG  22           HB2      ARG  22  -0.121   5.238  -2.308
  155    HB3  ARG  22           HB3      ARG  22   0.738   6.177  -3.508
  156    HG2  ARG  22           HG2      ARG  22   1.319   4.094  -4.665
  157    HG3  ARG  22           HG3      ARG  22   0.402   3.190  -3.452
  158    HD2  ARG  22           HD2      ARG  22  -1.556   4.688  -4.072
  159    HD3  ARG  22           HD3      ARG  22  -0.613   5.149  -5.483
  160    HE   ARG  22           HE       ARG  22  -2.081   2.756  -5.070
  161   HH11  ARG  22          HH11      ARG  22   0.691   4.117  -6.742
  162   HH12  ARG  22          HH12      ARG  22   0.717   2.890  -7.965
  163   HH21  ARG  22          HH21      ARG  22  -2.038   1.133  -6.682
  164   HH22  ARG  22          HH22      ARG  22  -0.837   1.188  -7.933
  165    HA   PRO  23           HA       PRO  23   2.908   8.426   0.276
  166    HB2  PRO  23           HB2      PRO  23   2.985  10.625  -1.304
  167    HB3  PRO  23           HB3      PRO  23   4.378   9.563  -1.083
  168    HG2  PRO  23           HG2      PRO  23   2.443   9.707  -3.351
  169    HG3  PRO  23           HG3      PRO  23   4.197   9.462  -3.387
  170    HD2  PRO  23           HD2      PRO  23   2.379   7.442  -3.665
  171    HD3  PRO  23           HD3      PRO  23   4.012   7.211  -3.010
  172    H    THR  24           HN       THR  24   0.510   8.215  -2.179
  173    HA   THR  24           HA       THR  24  -1.496   9.260  -0.411
  174    HB   THR  24           HB       THR  24  -0.750  11.337  -1.445
  175    HG1  THR  24           HG1      THR  24  -3.054  10.893  -1.110
  176   HG21  THR  24          HG21      THR  24   0.219  10.426  -3.487
  177   HG22  THR  24          HG22      THR  24  -0.945  11.698  -3.860
  178   HG23  THR  24          HG23      THR  24  -1.389  10.006  -4.074
  179    H    CYS  25           HN       CYS  25  -3.492   8.436  -0.862
  180    HA   CYS  25           HA       CYS  25  -3.527   6.188  -2.691
  181    HB2  CYS  25           HB2      CYS  25  -5.621   7.166  -0.727
  182    HB3  CYS  25           HB3      CYS  25  -5.605   5.597  -1.533
  183    H    PHE  26           HN       PHE  26  -4.694   6.010  -4.495
  184    HA   PHE  26           HA       PHE  26  -5.711   8.436  -5.685
  185    HB2  PHE  26           HB2      PHE  26  -5.464   5.598  -6.684
  186    HB3  PHE  26           HB3      PHE  26  -6.065   6.932  -7.665
  187    HD1  PHE  26           HD1      PHE  26  -4.435   9.082  -7.530
  188    HD2  PHE  26           HD2      PHE  26  -3.280   5.022  -7.004
  189    HE1  PHE  26           HE1      PHE  26  -2.133   9.660  -8.158
  190    HE2  PHE  26           HE2      PHE  26  -0.976   5.592  -7.635
  191    HZ   PHE  26           HZ       PHE  26  -0.397   7.913  -8.213
  192    H    SER  27           HN       SER  27  -7.804   8.047  -7.096
  193    HA   SER  27           HA       SER  27  -9.908   7.838  -5.168
  194    HB2  SER  27           HB2      SER  27 -10.125   8.233  -8.157
  195    HB3  SER  27           HB3      SER  27 -11.341   8.631  -6.944
  196    HG   SER  27           HG       SER  27  -9.509   9.992  -6.045
  197    H    HIS  28           HN       HIS  28  -8.665   5.377  -5.423
  198    HA   HIS  28           HA       HIS  28 -10.946   3.704  -5.824
  199    HB2  HIS  28           HB2      HIS  28  -9.879   2.150  -7.446
  200    HB3  HIS  28           HB3      HIS  28 -10.226   3.727  -8.150
  201    HD1  HIS  28           HD1      HIS  28  -7.592   1.280  -7.843
  202    HD2  HIS  28           HD2      HIS  28  -7.763   5.411  -8.240
  203    HE1  HIS  28           HE1      HIS  28  -5.338   1.969  -8.697
  204    HE2  HIS  28           HE2      HIS  28  -5.533   4.436  -9.119
  205    H    GLU  29           HN       GLU  29  -9.054   4.551  -3.795
  206    HA   GLU  29           HA       GLU  29  -8.132   1.953  -2.862
  207    HB2  GLU  29           HB2      GLU  29  -6.306   4.343  -3.114
  208    HB3  GLU  29           HB3      GLU  29  -5.893   2.831  -2.328
  209    HG2  GLU  29           HG2      GLU  29  -5.987   1.662  -4.420
  210    HG3  GLU  29           HG3      GLU  29  -6.580   3.105  -5.244
  211    H    TYR  30           HN       TYR  30  -6.964   2.414  -0.639
  212    HA   TYR  30           HA       TYR  30  -7.935   4.707   0.812
  213    HB2  TYR  30           HB2      TYR  30  -9.112   3.403   2.531
  214    HB3  TYR  30           HB3      TYR  30  -9.876   3.206   0.959
  215    HD1  TYR  30           HD1      TYR  30  -9.819   1.068  -0.192
  216    HD2  TYR  30           HD2      TYR  30  -7.926   1.568   3.580
  217    HE1  TYR  30           HE1      TYR  30  -9.667  -1.380   0.045
  218    HE2  TYR  30           HE2      TYR  30  -7.748  -0.863   3.833
  219    HH   TYR  30           HH       TYR  30  -8.067  -2.978   1.378
  220    H    THR  31           HN       THR  31  -7.068   4.667   3.082
  221    HA   THR  31           HA       THR  31  -4.322   3.723   2.950
  222    HB   THR  31           HB       THR  31  -5.638   5.390   5.104
  223    HG1  THR  31           HG1      THR  31  -4.896   6.012   2.535
  224   HG21  THR  31          HG21      THR  31  -3.316   6.126   5.537
  225   HG22  THR  31          HG22      THR  31  -2.751   4.963   4.337
  226   HG23  THR  31          HG23      THR  31  -3.543   4.398   5.809
  227    H    ASP  32           HN       ASP  32  -4.145   1.619   3.479
  228    HA   ASP  32           HA       ASP  32  -5.396   0.577   5.887
  229    HB2  ASP  32           HB2      ASP  32  -5.026  -0.877   3.896
  230    HB3  ASP  32           HB3      ASP  32  -3.312  -0.678   4.096
  231    H    TRP  33           HN       TRP  33  -4.483   0.716   7.845
  232    HA   TRP  33           HA       TRP  33  -1.880   1.976   8.030
  233    HB2  TRP  33           HB2      TRP  33  -4.145   1.535   9.957
  234    HB3  TRP  33           HB3      TRP  33  -2.565   2.100  10.500
  235    HD1  TRP  33           HD1      TRP  33  -5.712   3.335   8.837
  236    HE1  TRP  33           HE1      TRP  33  -5.436   5.805   8.185
  237    HE3  TRP  33           HE3      TRP  33  -0.718   3.817   9.714
  238    HZ2  TRP  33           HZ2      TRP  33  -3.341   7.709   8.042
  239    HZ3  TRP  33           HZ3      TRP  33   0.357   5.981   9.275
  240    HH2  TRP  33           HH2      TRP  33  -0.925   7.876   8.446
  241    H    PHE  34           HN       PHE  34  -3.269  -1.119   8.367
  242    HA   PHE  34           HA       PHE  34  -1.391  -2.344  10.083
  243    HB2  PHE  34           HB2      PHE  34  -3.592  -3.310   9.262
  244    HB3  PHE  34           HB3      PHE  34  -2.799  -3.606   7.713
  245    HD1  PHE  34           HD1      PHE  34  -1.334  -5.445   7.417
  246    HD2  PHE  34           HD2      PHE  34  -2.868  -4.526  11.276
  247    HE1  PHE  34           HE1      PHE  34  -0.540  -7.620   8.246
  248    HE2  PHE  34           HE2      PHE  34  -2.075  -6.700  12.113
  249    HZ   PHE  34           HZ       PHE  34  -0.909  -8.248  10.595
  250    H    ASN  35           HN       ASN  35  -1.642  -2.490   6.552
  251    HA   ASN  35           HA       ASN  35   1.089  -3.342   6.299
  252    HB2  ASN  35           HB2      ASN  35  -1.072  -2.684   4.315
  253    HB3  ASN  35           HB3      ASN  35   0.565  -3.074   3.817
  254   HD21  ASN  35          HD21      ASN  35  -2.365  -4.247   5.165
  255   HD22  ASN  35          HD22      ASN  35  -1.987  -5.935   5.073
  256    H    ASN  36           HN       ASN  36  -0.319  -0.380   6.810
  257    HA   ASN  36           HA       ASN  36   1.392   1.290   5.311
  258    HB2  ASN  36           HB2      ASN  36  -0.642   1.995   6.661
  259    HB3  ASN  36           HB3      ASN  36   0.380   1.891   8.082
  260   HD21  ASN  36          HD21      ASN  36  -1.022   4.069   6.660
  261   HD22  ASN  36          HD22      ASN  36   0.168   5.300   6.465
  262    H    ASP  37           HN       ASP  37   1.686  -0.451   8.322
  263    HA   ASP  37           HA       ASP  37   4.186   0.540   9.130
  264    HB2  ASP  37           HB2      ASP  37   2.872  -0.729  10.693
  265    HB3  ASP  37           HB3      ASP  37   2.866  -2.127   9.626
  266    H    VAL  38           HN       VAL  38   3.292  -2.274   7.127
  267    HA   VAL  38           HA       VAL  38   5.980  -3.115   6.699
  268    HB   VAL  38           HB       VAL  38   5.220  -4.612   5.074
  269   HG11  VAL  38          HG11      VAL  38   3.200  -5.636   6.010
  270   HG12  VAL  38          HG12      VAL  38   2.916  -4.175   6.956
  271   HG13  VAL  38          HG13      VAL  38   4.349  -5.155   7.255
  272   HG21  VAL  38          HG21      VAL  38   3.180  -4.463   3.807
  273   HG22  VAL  38          HG22      VAL  38   4.104  -2.970   3.615
  274   HG23  VAL  38          HG23      VAL  38   2.702  -3.009   4.687
  275    H    CYS  39           HN       CYS  39   3.990  -0.747   5.210
  276    HA   CYS  39           HA       CYS  39   5.554  -0.372   2.868
  277    HB2  CYS  39           HB2      CYS  39   3.342   1.188   4.175
  278    HB3  CYS  39           HB3      CYS  39   4.161   1.774   2.731
  279    H    GLY  40           HN       GLY  40   6.066   0.589   6.084
  280    HA2  GLY  40           HA2      GLY  40   7.803   1.815   6.982
  281    HA3  GLY  40           HA1      GLY  40   8.471   1.920   5.366
  282    H    SER  41           HN       SER  41   8.409   3.800   4.336
  283    HA   SER  41           HA       SER  41   7.426   6.081   5.824
  284    HB2  SER  41           HB2      SER  41   9.670   6.046   4.782
  285    HB3  SER  41           HB3      SER  41   8.913   5.960   3.194
  286    HG   SER  41           HG       SER  41   7.775   7.997   4.075
  287    H    TYR  42           HN       TYR  42   6.243   4.057   3.417
  288    HA   TYR  42           HA       TYR  42   4.386   6.095   2.389
  289    HB2  TYR  42           HB2      TYR  42   5.191   3.369   1.428
  290    HB3  TYR  42           HB3      TYR  42   3.705   4.121   0.866
  291    HD1  TYR  42           HD1      TYR  42   4.466   6.897   0.489
  292    HD2  TYR  42           HD2      TYR  42   6.653   3.358  -0.337
  293    HE1  TYR  42           HE1      TYR  42   5.698   8.075  -1.267
  294    HE2  TYR  42           HE2      TYR  42   7.899   4.524  -2.089
  295    HH   TYR  42           HH       TYR  42   7.820   7.926  -2.444
  296    H    ARG  43           HN       ARG  43   2.173   5.123   1.917
  297    HA   ARG  43           HA       ARG  43   1.260   3.639   4.287
  298    HB2  ARG  43           HB2      ARG  43  -0.824   4.900   4.142
  299    HB3  ARG  43           HB3      ARG  43   0.540   5.993   4.294
  300    HG2  ARG  43           HG2      ARG  43   0.365   5.984   1.650
  301    HG3  ARG  43           HG3      ARG  43  -1.305   5.561   2.030
  302    HD2  ARG  43           HD2      ARG  43  -1.080   7.956   1.808
  303    HD3  ARG  43           HD3      ARG  43  -1.473   7.526   3.470
  304    HE   ARG  43           HE       ARG  43   1.345   7.862   2.911
  305   HH11  ARG  43          HH11      ARG  43  -1.621   9.401   3.936
  306   HH12  ARG  43          HH12      ARG  43  -0.816  10.661   4.815
  307   HH21  ARG  43          HH21      ARG  43   2.411   9.513   4.068
  308   HH22  ARG  43          HH22      ARG  43   1.483  10.720   4.896
  309    H    CYS  44           HN       CYS  44  -0.333   2.028   3.931
  310    HA   CYS  44           HA       CYS  44  -0.059   0.827   1.333
  311    HB2  CYS  44           HB2      CYS  44  -0.036  -0.589   3.297
  312    HB3  CYS  44           HB3      CYS  44  -1.629  -0.074   3.744
  313    H    CYS  45           HN       CYS  45  -1.089   2.127  -0.090
  314    HA   CYS  45           HA       CYS  45  -3.880   2.737   0.199
  315    HB2  CYS  45           HB2      CYS  45  -2.004   2.934  -2.166
  316    HB3  CYS  45           HB3      CYS  45  -3.653   3.564  -2.133
  317    H    ARG  46           HN       ARG  46  -4.825   0.767   0.559
  318    HA   ARG  46           HA       ARG  46  -4.547  -1.426  -1.267
  319    HB2  ARG  46           HB2      ARG  46  -6.652  -0.914   0.842
  320    HB3  ARG  46           HB3      ARG  46  -6.391  -2.438   0.010
  321    HG2  ARG  46           HG2      ARG  46  -4.097  -2.487   1.003
  322    HG3  ARG  46           HG3      ARG  46  -4.549  -1.074   1.957
  323    HD2  ARG  46           HD2      ARG  46  -4.927  -2.903   3.379
  324    HD3  ARG  46           HD3      ARG  46  -6.528  -2.473   2.775
  325    HE   ARG  46           HE       ARG  46  -5.393  -4.450   1.126
  326   HH11  ARG  46          HH11      ARG  46  -6.743  -4.030   4.334
  327   HH12  ARG  46          HH12      ARG  46  -7.202  -5.694   4.502
  328   HH21  ARG  46          HH21      ARG  46  -6.026  -6.652   1.354
  329   HH22  ARG  46          HH22      ARG  46  -6.823  -7.176   2.799
  330    HA   PRO  47           HA       PRO  47  -7.419   0.033  -4.368
  331    HB2  PRO  47           HB2      PRO  47  -7.844  -2.885  -4.719
  332    HB3  PRO  47           HB3      PRO  47  -7.421  -1.662  -5.920
  333    HG2  PRO  47           HG2      PRO  47  -5.618  -3.431  -5.021
  334    HG3  PRO  47           HG3      PRO  47  -5.169  -1.770  -5.432
  335    HD2  PRO  47           HD2      PRO  47  -5.511  -3.035  -2.764
  336    HD3  PRO  47           HD3      PRO  47  -4.406  -1.743  -3.274
  337    H    GLY  48           HN       GLY  48  -9.531   0.532  -4.086
  338    HA2  GLY  48           HA2      GLY  48 -10.857  -0.424  -1.741
  339    HA3  GLY  48           HA1      GLY  48 -11.516   0.706  -2.912
  340    H    ARG  49           HN       ARG  49 -10.399  -2.556  -3.467
  341    HA   ARG  49           HA       ARG  49 -12.989  -3.746  -3.289
  342    HB2  ARG  49           HB2      ARG  49 -13.152  -4.543  -5.571
  343    HB3  ARG  49           HB3      ARG  49 -13.123  -2.790  -5.575
  344    HG2  ARG  49           HG2      ARG  49 -10.645  -4.392  -6.018
  345    HG3  ARG  49           HG3      ARG  49 -11.769  -4.053  -7.329
  346    HD2  ARG  49           HD2      ARG  49 -11.482  -1.665  -6.972
  347    HD3  ARG  49           HD3      ARG  49 -10.399  -1.987  -5.617
  348    HE   ARG  49           HE       ARG  49  -9.049  -3.223  -7.458
  349   HH11  ARG  49          HH11      ARG  49 -10.834  -0.236  -7.831
  350   HH12  ARG  49          HH12      ARG  49  -9.831   0.354  -9.119
  351   HH21  ARG  49          HH21      ARG  49  -7.706  -2.442  -9.135
  352   HH22  ARG  49          HH22      ARG  49  -8.039  -0.895  -9.848
  353    H    AAR  50           HN       AAR  50  -9.635  -3.780  -3.522
  354    HA   AAR  50           HA       AAR  50  -8.013  -5.291  -3.772
  355    HB2  AAR  50           HB2      AAR  50  -9.149  -7.221  -1.918
  356    HB3  AAR  50           HB3      AAR  50  -7.712  -6.235  -1.798
  357    HG2  AAR  50           HG2      AAR  50  -8.936  -4.381  -0.937
  358    HG3  AAR  50           HG3      AAR  50 -10.470  -5.216  -1.202
  359    HD2  AAR  50           HD2      AAR  50  -9.988  -6.822   0.471
  360    HD3  AAR  50           HD3      AAR  50  -8.304  -6.318   0.573
  361    HE   AAR  50           HE       AAR  50  -9.531  -4.089   1.337
  362   HH11  AAR  50          HH21      AAR  50 -10.252  -3.531   3.405
  363   HH12  AAR  50          HH22      AAR  50 -10.756  -4.772   4.508
  364   HH21  AAR  50          HH11      AAR  50 -10.093  -7.413   2.298
  365   HH22  AAR  50          HH12      AAR  50 -10.674  -6.987   3.873
  366   HNT1  AAR  50          HNT1      AAR  50 -10.095  -7.989  -2.945
  367   HNT2  AAR  50          HNT2      AAR  50 -10.034  -8.750  -4.508
  Start of MODEL    4
    1    H1   SER   1           HT1      SER   1  11.146  -2.602   2.353
    2    H2   SER   1           HT2      SER   1  11.139  -4.030   3.130
    3    H3   SER   1           HT3      SER   1   9.741  -3.254   2.850
    4    HA   SER   1           HA       SER   1   9.927  -3.549   0.508
    5    HB2  SER   1           HB2      SER   1  12.453  -5.073   1.185
    6    HB3  SER   1           HB3      SER   1  11.802  -4.756  -0.424
    7    HG   SER   1           HG       SER   1  13.318  -3.219  -0.142
    8    H    TYR   2           HN       TYR   2   8.160  -4.624   2.078
    9    HA   TYR   2           HA       TYR   2   8.286  -7.336   2.679
   10    HB2  TYR   2           HB2      TYR   2   6.486  -5.993   3.529
   11    HB3  TYR   2           HB3      TYR   2   5.936  -5.602   1.905
   12    HD1  TYR   2           HD1      TYR   2   6.663  -8.741   3.827
   13    HD2  TYR   2           HD2      TYR   2   3.970  -6.612   1.318
   14    HE1  TYR   2           HE1      TYR   2   5.108 -10.644   3.890
   15    HE2  TYR   2           HE2      TYR   2   2.406  -8.508   1.376
   16    HH   TYR   2           HH       TYR   2   2.632 -11.013   3.580
   17    H    GLN   3           HN       GLN   3   7.349  -5.756  -0.338
   18    HA   GLN   3           HA       GLN   3   7.748  -8.336  -1.674
   19    HB2  GLN   3           HB2      GLN   3   5.669  -6.285  -2.464
   20    HB3  GLN   3           HB3      GLN   3   5.968  -7.822  -3.257
   21    HG2  GLN   3           HG2      GLN   3   5.178  -7.733  -0.380
   22    HG3  GLN   3           HG3      GLN   3   3.967  -7.574  -1.646
   23   HE21  GLN   3          HE21      GLN   3   6.808  -9.605  -1.982
   24   HE22  GLN   3          HE22      GLN   3   5.963 -11.106  -1.929
   25    H    ARG   4           HN       ARG   4   9.892  -7.260  -1.667
   26    HA   ARG   4           HA       ARG   4  11.646  -6.363  -2.749
   27    HB2  ARG   4           HB2      ARG   4  11.760  -6.591  -5.045
   28    HB3  ARG   4           HB3      ARG   4  10.467  -7.703  -4.639
   29    HG2  ARG   4           HG2      ARG   4   8.811  -6.093  -5.341
   30    HG3  ARG   4           HG3      ARG   4  10.068  -4.895  -5.648
   31    HD2  ARG   4           HD2      ARG   4   9.743  -7.530  -7.074
   32    HD3  ARG   4           HD3      ARG   4   9.315  -5.943  -7.716
   33    HE   ARG   4           HE       ARG   4  11.821  -5.481  -7.325
   34   HH11  ARG   4          HH11      ARG   4  10.454  -8.532  -8.361
   35   HH12  ARG   4          HH12      ARG   4  11.877  -9.022  -9.222
   36   HH21  ARG   4          HH21      ARG   4  13.698  -6.125  -8.450
   37   HH22  ARG   4          HH22      ARG   4  13.723  -7.654  -9.269
   38    H    ILE   5           HN       ILE   5  12.259  -4.535  -4.416
   39    HA   ILE   5           HA       ILE   5  10.867  -2.077  -3.609
   40    HB   ILE   5           HB       ILE   5  13.706  -2.508  -4.577
   41   HG12  ILE   5          HG12      ILE   5  12.614  -1.492  -1.945
   42   HG13  ILE   5          HG11      ILE   5  13.306  -3.086  -2.223
   43   HG21  ILE   5          HG21      ILE   5  12.886  -0.458  -5.540
   44   HG22  ILE   5          HG22      ILE   5  14.005  -0.078  -4.230
   45   HG23  ILE   5          HG23      ILE   5  12.266   0.068  -3.976
   46   HD11  ILE   5          HD11      ILE   5  15.464  -2.084  -2.699
   47   HD12  ILE   5          HD12      ILE   5  14.874  -1.586  -1.113
   48   HD13  ILE   5          HD13      ILE   5  14.780  -0.473  -2.479
   49    H    ARG   6           HN       ARG   6   9.405  -1.637  -5.126
   50    HA   ARG   6           HA       ARG   6   9.705  -2.659  -7.793
   51    HB2  ARG   6           HB2      ARG   6   7.484  -0.958  -6.673
   52    HB3  ARG   6           HB3      ARG   6   7.430  -2.036  -8.054
   53    HG2  ARG   6           HG2      ARG   6   8.126  -3.233  -5.447
   54    HG3  ARG   6           HG3      ARG   6   6.458  -2.722  -5.702
   55    HD2  ARG   6           HD2      ARG   6   6.327  -4.065  -7.701
   56    HD3  ARG   6           HD3      ARG   6   8.010  -4.545  -7.514
   57    HE   ARG   6           HE       ARG   6   7.085  -5.466  -5.248
   58   HH11  ARG   6          HH11      ARG   6   5.435  -5.477  -8.353
   59   HH12  ARG   6          HH12      ARG   6   4.608  -6.972  -8.051
   60   HH21  ARG   6          HH21      ARG   6   5.985  -7.444  -4.870
   61   HH22  ARG   6          HH22      ARG   6   4.913  -8.083  -6.069
   62    H    SER   7           HN       SER   7   8.716   0.545  -6.603
   63    HA   SER   7           HA       SER   7  10.072   1.725  -8.938
   64    HB2  SER   7           HB2      SER   7   7.568   1.930  -8.867
   65    HB3  SER   7           HB3      SER   7   7.735   2.864  -7.380
   66    HG   SER   7           HG       SER   7   8.832   3.542  -9.916
   67    H    ASP   8           HN       ASP   8   8.864   2.940  -5.833
   68    HA   ASP   8           HA       ASP   8  11.401   4.284  -5.317
   69    HB2  ASP   8           HB2      ASP   8   9.031   5.275  -4.845
   70    HB3  ASP   8           HB3      ASP   8   9.045   4.193  -3.453
   71    H    HIS   9           HN       HIS   9  12.052   4.042  -2.824
   72    HA   HIS   9           HA       HIS   9  12.688   1.324  -2.408
   73    HB2  HIS   9           HB2      HIS   9  14.085   3.139  -1.503
   74    HB3  HIS   9           HB3      HIS   9  12.770   3.622  -0.440
   75    HD1  HIS   9           HD1      HIS   9  15.753   1.597  -0.504
   76    HD2  HIS   9           HD2      HIS   9  12.115   1.463   1.503
   77    HE1  HIS   9           HE1      HIS   9  16.111   0.060   1.449
   78    HE2  HIS   9           HE2      HIS   9  13.843  -0.170   2.517
   79    H    ASP  10           HN       ASP  10  10.263   3.476  -1.054
   80    HA   ASP  10           HA       ASP  10   9.247   1.406   0.700
   81    HB2  ASP  10           HB2      ASP  10   8.347   4.242   0.184
   82    HB3  ASP  10           HB3      ASP  10   7.545   3.156   1.309
   83    H    SER  11           HN       SER  11   8.688   2.469  -2.486
   84    HA   SER  11           HA       SER  11   5.868   1.930  -2.542
   85    HB2  SER  11           HB2      SER  11   7.141   3.575  -4.046
   86    HB3  SER  11           HB3      SER  11   7.644   2.160  -4.958
   87    HG   SER  11           HG       SER  11   5.141   3.349  -4.750
   88    H    HIS  12           HN       HIS  12   5.380  -0.118  -2.064
   89    HA   HIS  12           HA       HIS  12   5.983  -2.118  -4.075
   90    HB2  HIS  12           HB2      HIS  12   6.605  -3.838  -2.419
   91    HB3  HIS  12           HB3      HIS  12   7.778  -2.533  -2.466
   92    HD1  HIS  12           HD1      HIS  12   5.131  -4.064  -0.242
   93    HD2  HIS  12           HD2      HIS  12   8.036  -1.087  -0.076
   94    HE1  HIS  12           HE1      HIS  12   5.373  -3.455   2.205
   95    HE2  HIS  12           HE2      HIS  12   7.137  -1.666   2.265
   96    H    SER  13           HN       SER  13   4.681  -4.134  -3.609
   97    HA   SER  13           HA       SER  13   2.022  -3.387  -2.850
   98    HB2  SER  13           HB2      SER  13   1.640  -5.907  -3.312
   99    HB3  SER  13           HB3      SER  13   2.094  -4.871  -4.665
  100    HG   SER  13           HG       SER  13   3.366  -6.719  -4.687
  101    H    CYS  14           HN       CYS  14   0.819  -4.254  -1.189
  102    HA   CYS  14           HA       CYS  14   2.201  -5.866   0.821
  103    HB2  CYS  14           HB2      CYS  14   1.198  -4.451   2.614
  104    HB3  CYS  14           HB3      CYS  14   2.415  -3.614   1.660
  105    H    ALA  15           HN       ALA  15   0.429  -6.499   2.535
  106    HA   ALA  15           HA       ALA  15  -1.327  -7.904   2.878
  107    HB1  ALA  15           HB1      ALA  15  -3.522  -7.020   2.202
  108    HB2  ALA  15           HB2      ALA  15  -2.709  -5.815   1.206
  109    HB3  ALA  15           HB3      ALA  15  -2.504  -5.796   2.958
  110    H    ASN  16           HN       ASN  16   0.307  -8.485   0.480
  111    HA   ASN  16           HA       ASN  16   0.382  -9.975  -1.209
  112    HB2  ASN  16           HB2      ASN  16  -2.160 -10.823   0.132
  113    HB3  ASN  16           HB3      ASN  16  -1.677 -11.568  -1.385
  114   HD21  ASN  16          HD21      ASN  16  -1.014 -11.241   1.990
  115   HD22  ASN  16          HD22      ASN  16   0.179 -12.488   2.091
  116    H    ASN  17           HN       ASN  17   0.184  -7.889  -2.405
  117    HA   ASN  17           HA       ASN  17  -0.492  -6.814  -4.305
  118    HB2  ASN  17           HB2      ASN  17  -1.269  -8.389  -5.734
  119    HB3  ASN  17           HB3      ASN  17  -2.110  -9.263  -4.455
  120   HD21  ASN  17          HD21      ASN  17  -4.174  -8.511  -3.799
  121   HD22  ASN  17          HD22      ASN  17  -5.193  -7.583  -4.863
  122    H    ARG  18           HN       ARG  18  -2.778  -7.549  -1.794
  123    HA   ARG  18           HA       ARG  18  -4.826  -5.792  -2.684
  124    HB2  ARG  18           HB2      ARG  18  -4.373  -7.300  -0.108
  125    HB3  ARG  18           HB3      ARG  18  -5.802  -6.323  -0.412
  126    HG2  ARG  18           HG2      ARG  18  -6.743  -8.077  -1.369
  127    HG3  ARG  18           HG3      ARG  18  -5.525  -8.020  -2.630
  128    HD2  ARG  18           HD2      ARG  18  -5.575 -10.226  -1.687
  129    HD3  ARG  18           HD3      ARG  18  -4.069  -9.434  -1.228
  130    HE   ARG  18           HE       ARG  18  -5.070  -9.049   0.963
  131   HH11  ARG  18          HH11      ARG  18  -6.490 -11.522  -1.070
  132   HH12  ARG  18          HH12      ARG  18  -7.137 -12.422   0.262
  133   HH21  ARG  18          HH21      ARG  18  -5.933 -10.227   2.718
  134   HH22  ARG  18          HH22      ARG  18  -6.831 -11.681   2.415
  135    H    GLY  19           HN       GLY  19  -2.122  -4.704  -2.135
  136    HA2  GLY  19           HA2      GLY  19  -2.904  -2.268  -0.819
  137    HA3  GLY  19           HA1      GLY  19  -1.794  -3.245   0.122
  138    H    TRP  20           HN       TRP  20  -1.577  -0.596  -1.520
  139    HA   TRP  20           HA       TRP  20   1.090  -1.362  -2.475
  140    HB2  TRP  20           HB2      TRP  20  -0.482  -0.823  -4.446
  141    HB3  TRP  20           HB3      TRP  20  -0.444   0.829  -3.857
  142    HD1  TRP  20           HD1      TRP  20   1.691   2.242  -4.304
  143    HE1  TRP  20           HE1      TRP  20   3.883   1.863  -5.535
  144    HE3  TRP  20           HE3      TRP  20   1.278  -2.784  -5.101
  145    HZ2  TRP  20           HZ2      TRP  20   5.280  -0.297  -6.694
  146    HZ3  TRP  20           HZ3      TRP  20   3.109  -3.929  -6.281
  147    HH2  TRP  20           HH2      TRP  20   5.067  -2.707  -7.063
  148    H    CYS  21           HN       CYS  21   2.651  -0.209  -1.650
  149    HA   CYS  21           HA       CYS  21   2.090   1.864   0.229
  150    HB2  CYS  21           HB2      CYS  21   4.760   1.058  -0.914
  151    HB3  CYS  21           HB3      CYS  21   4.450   1.879   0.614
  152    H    ARG  22           HN       ARG  22   1.385   3.724  -0.526
  153    HA   ARG  22           HA       ARG  22   2.959   5.059  -2.634
  154    HB2  ARG  22           HB2      ARG  22  -0.017   5.278  -2.159
  155    HB3  ARG  22           HB3      ARG  22   0.882   6.122  -3.405
  156    HG2  ARG  22           HG2      ARG  22   1.356   4.024  -4.495
  157    HG3  ARG  22           HG3      ARG  22   0.538   3.145  -3.195
  158    HD2  ARG  22           HD2      ARG  22  -1.504   4.524  -3.762
  159    HD3  ARG  22           HD3      ARG  22  -0.656   5.008  -5.224
  160    HE   ARG  22           HE       ARG  22  -1.938   2.527  -4.689
  161   HH11  ARG  22          HH11      ARG  22   0.602   4.058  -6.547
  162   HH12  ARG  22          HH12      ARG  22   0.581   2.857  -7.796
  163   HH21  ARG  22          HH21      ARG  22  -1.977   0.961  -6.340
  164   HH22  ARG  22          HH22      ARG  22  -0.883   1.093  -7.679
  165    HA   PRO  23           HA       PRO  23   3.020   8.409   0.353
  166    HB2  PRO  23           HB2      PRO  23   3.475  10.497  -1.335
  167    HB3  PRO  23           HB3      PRO  23   4.733   9.382  -0.801
  168    HG2  PRO  23           HG2      PRO  23   3.376   9.587  -3.409
  169    HG3  PRO  23           HG3      PRO  23   4.979   8.953  -3.017
  170    HD2  PRO  23           HD2      PRO  23   2.673   7.450  -3.574
  171    HD3  PRO  23           HD3      PRO  23   4.192   6.843  -2.893
  172    H    THR  24           HN       THR  24   0.842   8.120  -2.214
  173    HA   THR  24           HA       THR  24  -1.196   9.558  -0.789
  174    HB   THR  24           HB       THR  24  -0.304  11.411  -2.045
  175    HG1  THR  24           HG1      THR  24  -2.428  11.704  -2.127
  176   HG21  THR  24          HG21      THR  24   0.902  10.155  -3.757
  177   HG22  THR  24          HG22      THR  24  -0.129  11.387  -4.485
  178   HG23  THR  24          HG23      THR  24  -0.627   9.694  -4.506
  179    H    CYS  25           HN       CYS  25  -3.187   8.694  -1.187
  180    HA   CYS  25           HA       CYS  25  -3.180   6.217  -2.690
  181    HB2  CYS  25           HB2      CYS  25  -5.244   7.476  -0.876
  182    HB3  CYS  25           HB3      CYS  25  -5.403   5.889  -1.619
  183    H    PHE  26           HN       PHE  26  -4.433   5.703  -4.394
  184    HA   PHE  26           HA       PHE  26  -5.181   7.866  -6.121
  185    HB2  PHE  26           HB2      PHE  26  -5.262   4.863  -6.373
  186    HB3  PHE  26           HB3      PHE  26  -5.871   5.930  -7.638
  187    HD1  PHE  26           HD1      PHE  26  -2.884   6.592  -5.557
  188    HD2  PHE  26           HD2      PHE  26  -4.362   5.347  -9.343
  189    HE1  PHE  26           HE1      PHE  26  -0.621   6.767  -6.494
  190    HE2  PHE  26           HE2      PHE  26  -2.099   5.521 -10.288
  191    HZ   PHE  26           HZ       PHE  26  -0.224   6.229  -8.862
  192    H    SER  27           HN       SER  27  -7.299   7.670  -7.366
  193    HA   SER  27           HA       SER  27  -9.402   8.021  -5.449
  194    HB2  SER  27           HB2      SER  27  -9.078   9.505  -7.419
  195    HB3  SER  27           HB3      SER  27  -9.514   8.163  -8.472
  196    HG   SER  27           HG       SER  27 -11.525   8.590  -8.107
  197    H    HIS  28           HN       HIS  28  -8.470   5.338  -5.592
  198    HA   HIS  28           HA       HIS  28 -10.979   4.004  -5.709
  199    HB2  HIS  28           HB2      HIS  28 -10.373   2.282  -7.374
  200    HB3  HIS  28           HB3      HIS  28 -10.495   3.879  -8.095
  201    HD1  HIS  28           HD1      HIS  28  -8.421   0.987  -8.127
  202    HD2  HIS  28           HD2      HIS  28  -7.713   5.079  -8.332
  203    HE1  HIS  28           HE1      HIS  28  -6.157   1.228  -9.182
  204    HE2  HIS  28           HE2      HIS  28  -5.832   3.705  -9.466
  205    H    GLU  29           HN       GLU  29  -8.781   4.605  -3.910
  206    HA   GLU  29           HA       GLU  29  -8.203   1.912  -2.954
  207    HB2  GLU  29           HB2      GLU  29  -6.034   3.992  -3.269
  208    HB3  GLU  29           HB3      GLU  29  -5.846   2.358  -2.651
  209    HG2  GLU  29           HG2      GLU  29  -6.319   1.437  -4.825
  210    HG3  GLU  29           HG3      GLU  29  -6.664   3.042  -5.466
  211    H    TYR  30           HN       TYR  30  -7.214   2.031  -0.728
  212    HA   TYR  30           HA       TYR  30  -7.900   4.491   0.712
  213    HB2  TYR  30           HB2      TYR  30  -9.107   3.267   2.423
  214    HB3  TYR  30           HB3      TYR  30  -9.843   2.961   0.858
  215    HD1  TYR  30           HD1      TYR  30  -9.673   0.730  -0.187
  216    HD2  TYR  30           HD2      TYR  30  -7.988   1.517   3.646
  217    HE1  TYR  30           HE1      TYR  30  -9.520  -1.692   0.238
  218    HE2  TYR  30           HE2      TYR  30  -7.826  -0.883   4.079
  219    HH   TYR  30           HH       TYR  30  -8.682  -2.927   3.398
  220    H    THR  31           HN       THR  31  -6.859   4.669   2.796
  221    HA   THR  31           HA       THR  31  -4.232   3.445   2.776
  222    HB   THR  31           HB       THR  31  -5.401   5.390   4.782
  223    HG1  THR  31           HG1      THR  31  -4.423   5.730   2.206
  224   HG21  THR  31          HG21      THR  31  -3.472   4.365   5.706
  225   HG22  THR  31          HG22      THR  31  -2.944   5.935   5.096
  226   HG23  THR  31          HG23      THR  31  -2.602   4.468   4.181
  227    H    ASP  32           HN       ASP  32  -4.144   1.422   3.500
  228    HA   ASP  32           HA       ASP  32  -5.520   0.714   5.972
  229    HB2  ASP  32           HB2      ASP  32  -5.025  -0.872   3.919
  230    HB3  ASP  32           HB3      ASP  32  -3.469  -1.012   4.684
  231    H    TRP  33           HN       TRP  33  -4.610   1.083   7.868
  232    HA   TRP  33           HA       TRP  33  -1.956   2.153   7.931
  233    HB2  TRP  33           HB2      TRP  33  -4.168   1.890   9.939
  234    HB3  TRP  33           HB3      TRP  33  -2.559   2.449  10.401
  235    HD1  TRP  33           HD1      TRP  33  -5.717   3.638   8.687
  236    HE1  TRP  33           HE1      TRP  33  -5.404   6.072   7.913
  237    HE3  TRP  33           HE3      TRP  33  -0.714   4.080   9.518
  238    HZ2  TRP  33           HZ2      TRP  33  -3.281   7.935   7.679
  239    HZ3  TRP  33           HZ3      TRP  33   0.396   6.194   8.975
  240    HH2  TRP  33           HH2      TRP  33  -0.860   8.090   8.072
  241    H    PHE  34           HN       PHE  34  -3.256  -0.919   8.196
  242    HA   PHE  34           HA       PHE  34  -1.435  -2.047  10.100
  243    HB2  PHE  34           HB2      PHE  34  -3.664  -3.033   9.387
  244    HB3  PHE  34           HB3      PHE  34  -2.890  -3.472   7.859
  245    HD1  PHE  34           HD1      PHE  34  -2.282  -3.818  11.531
  246    HD2  PHE  34           HD2      PHE  34  -2.096  -5.607   7.674
  247    HE1  PHE  34           HE1      PHE  34  -1.498  -5.916  12.546
  248    HE2  PHE  34           HE2      PHE  34  -1.309  -7.706   8.684
  249    HZ   PHE  34           HZ       PHE  34  -1.009  -7.866  11.122
  250    H    ASN  35           HN       ASN  35  -1.712  -2.405   6.572
  251    HA   ASN  35           HA       ASN  35   0.981  -3.360   6.408
  252    HB2  ASN  35           HB2      ASN  35  -0.187  -2.607   3.856
  253    HB3  ASN  35           HB3      ASN  35   0.376  -4.151   4.428
  254   HD21  ASN  35          HD21      ASN  35  -1.039  -5.547   5.413
  255   HD22  ASN  35          HD22      ASN  35  -2.749  -5.379   5.279
  256    H    ASN  36           HN       ASN  36  -0.429  -0.324   6.597
  257    HA   ASN  36           HA       ASN  36   1.407   1.329   5.312
  258    HB2  ASN  36           HB2      ASN  36  -0.422   1.516   7.530
  259    HB3  ASN  36           HB3      ASN  36   1.047   2.393   7.890
  260   HD21  ASN  36          HD21      ASN  36   1.163   4.389   7.218
  261   HD22  ASN  36          HD22      ASN  36   0.185   5.110   5.997
  262    H    ASP  37           HN       ASP  37   1.554  -0.383   8.378
  263    HA   ASP  37           HA       ASP  37   4.057   0.431   9.281
  264    HB2  ASP  37           HB2      ASP  37   2.647  -0.764  10.771
  265    HB3  ASP  37           HB3      ASP  37   2.526  -2.128   9.668
  266    H    VAL  38           HN       VAL  38   3.213  -2.305   7.130
  267    HA   VAL  38           HA       VAL  38   5.940  -3.135   6.861
  268    HB   VAL  38           HB       VAL  38   5.325  -4.597   5.122
  269   HG11  VAL  38          HG11      VAL  38   2.965  -4.353   6.974
  270   HG12  VAL  38          HG12      VAL  38   4.457  -5.239   7.286
  271   HG13  VAL  38          HG13      VAL  38   3.370  -5.767   6.002
  272   HG21  VAL  38          HG21      VAL  38   2.749  -3.061   4.749
  273   HG22  VAL  38          HG22      VAL  38   3.248  -4.507   3.862
  274   HG23  VAL  38          HG23      VAL  38   4.155  -3.003   3.678
  275    H    CYS  39           HN       CYS  39   3.910  -0.932   5.075
  276    HA   CYS  39           HA       CYS  39   5.566  -0.380   2.928
  277    HB2  CYS  39           HB2      CYS  39   3.594   1.358   4.409
  278    HB3  CYS  39           HB3      CYS  39   4.379   1.850   2.911
  279    H    GLY  40           HN       GLY  40   5.603   0.955   6.204
  280    HA2  GLY  40           HA2      GLY  40   7.559   1.757   7.260
  281    HA3  GLY  40           HA1      GLY  40   8.312   1.927   5.685
  282    H    SER  41           HN       SER  41   8.149   3.805   4.583
  283    HA   SER  41           HA       SER  41   7.239   6.077   6.173
  284    HB2  SER  41           HB2      SER  41   9.530   6.036   5.260
  285    HB3  SER  41           HB3      SER  41   8.874   5.961   3.628
  286    HG   SER  41           HG       SER  41   9.011   8.060   3.768
  287    H    TYR  42           HN       TYR  42   6.209   4.154   3.611
  288    HA   TYR  42           HA       TYR  42   4.394   6.204   2.565
  289    HB2  TYR  42           HB2      TYR  42   5.327   3.542   1.576
  290    HB3  TYR  42           HB3      TYR  42   3.777   4.162   1.025
  291    HD1  TYR  42           HD1      TYR  42   5.588   7.049   1.484
  292    HD2  TYR  42           HD2      TYR  42   5.484   3.638  -1.050
  293    HE1  TYR  42           HE1      TYR  42   6.709   8.328  -0.273
  294    HE2  TYR  42           HE2      TYR  42   6.603   4.902  -2.807
  295    HH   TYR  42           HH       TYR  42   8.117   7.884  -2.265
  296    H    ARG  43           HN       ARG  43   2.229   5.048   1.874
  297    HA   ARG  43           HA       ARG  43   1.164   3.742   4.283
  298    HB2  ARG  43           HB2      ARG  43  -0.897   5.044   3.939
  299    HB3  ARG  43           HB3      ARG  43   0.488   6.084   4.209
  300    HG2  ARG  43           HG2      ARG  43   0.580   6.127   1.592
  301    HG3  ARG  43           HG3      ARG  43  -1.116   5.666   1.746
  302    HD2  ARG  43           HD2      ARG  43  -0.876   8.082   1.582
  303    HD3  ARG  43           HD3      ARG  43  -1.526   7.610   3.150
  304    HE   ARG  43           HE       ARG  43   1.350   8.148   2.867
  305   HH11  ARG  43          HH11      ARG  43  -1.782   9.016   4.177
  306   HH12  ARG  43          HH12      ARG  43  -1.132  10.094   5.369
  307   HH21  ARG  43          HH21      ARG  43   2.212   9.583   4.431
  308   HH22  ARG  43          HH22      ARG  43   1.144  10.419   5.511
  309    H    CYS  44           HN       CYS  44  -0.489   2.141   3.924
  310    HA   CYS  44           HA       CYS  44  -0.063   0.873   1.355
  311    HB2  CYS  44           HB2      CYS  44  -0.030  -0.525   3.344
  312    HB3  CYS  44           HB3      CYS  44  -1.662  -0.078   3.741
  313    H    CYS  45           HN       CYS  45  -1.084   2.141  -0.087
  314    HA   CYS  45           HA       CYS  45  -3.877   2.753   0.146
  315    HB2  CYS  45           HB2      CYS  45  -1.997   2.925  -2.217
  316    HB3  CYS  45           HB3      CYS  45  -3.616   3.622  -2.143
  317    H    ARG  46           HN       ARG  46  -4.686   0.707   0.549
  318    HA   ARG  46           HA       ARG  46  -4.459  -1.472  -1.269
  319    HB2  ARG  46           HB2      ARG  46  -6.531  -0.893   0.853
  320    HB3  ARG  46           HB3      ARG  46  -6.319  -2.436   0.040
  321    HG2  ARG  46           HG2      ARG  46  -4.006  -2.515   0.982
  322    HG3  ARG  46           HG3      ARG  46  -4.405  -1.076   1.919
  323    HD2  ARG  46           HD2      ARG  46  -4.747  -2.941   3.341
  324    HD3  ARG  46           HD3      ARG  46  -6.345  -2.359   2.870
  325    HE   ARG  46           HE       ARG  46  -5.549  -4.381   1.103
  326   HH11  ARG  46          HH11      ARG  46  -6.405  -3.936   4.466
  327   HH12  ARG  46          HH12      ARG  46  -7.107  -5.520   4.633
  328   HH21  ARG  46          HH21      ARG  46  -6.465  -6.484   1.328
  329   HH22  ARG  46          HH22      ARG  46  -7.128  -6.975   2.851
  330    HA   PRO  47           HA       PRO  47  -7.407  -0.172  -4.381
  331    HB2  PRO  47           HB2      PRO  47  -7.876  -3.112  -4.474
  332    HB3  PRO  47           HB3      PRO  47  -7.533  -1.991  -5.794
  333    HG2  PRO  47           HG2      PRO  47  -5.667  -3.678  -4.894
  334    HG3  PRO  47           HG3      PRO  47  -5.253  -2.038  -5.421
  335    HD2  PRO  47           HD2      PRO  47  -5.454  -3.147  -2.666
  336    HD3  PRO  47           HD3      PRO  47  -4.376  -1.890  -3.304
  337    H    GLY  48           HN       GLY  48  -9.497   0.401  -4.019
  338    HA2  GLY  48           HA2      GLY  48 -10.781  -0.287  -1.607
  339    HA3  GLY  48           HA1      GLY  48 -11.539   0.535  -2.963
  340    H    ARG  49           HN       ARG  49 -10.343  -2.261  -4.137
  341    HA   ARG  49           HA       ARG  49 -12.593  -3.931  -3.340
  342    HB2  ARG  49           HB2      ARG  49 -12.525  -4.666  -5.896
  343    HB3  ARG  49           HB3      ARG  49 -13.552  -3.366  -5.325
  344    HG2  ARG  49           HG2      ARG  49 -12.455  -2.753  -7.396
  345    HG3  ARG  49           HG3      ARG  49 -11.909  -1.721  -6.077
  346    HD2  ARG  49           HD2      ARG  49 -10.090  -2.442  -7.601
  347    HD3  ARG  49           HD3      ARG  49  -9.832  -2.920  -5.925
  348    HE   ARG  49           HE       ARG  49 -11.059  -5.071  -7.079
  349   HH11  ARG  49          HH11      ARG  49  -8.171  -3.223  -7.775
  350   HH12  ARG  49          HH12      ARG  49  -7.301  -4.580  -8.410
  351   HH21  ARG  49          HH21      ARG  49  -9.926  -6.861  -7.896
  352   HH22  ARG  49          HH22      ARG  49  -8.306  -6.657  -8.485
  353    H    AAR  50           HN       AAR  50  -9.712  -3.854  -2.720
  354    HA   AAR  50           HA       AAR  50  -8.124  -5.650  -3.920
  355    HB2  AAR  50           HB2      AAR  50  -7.475  -6.261  -1.403
  356    HB3  AAR  50           HB3      AAR  50  -6.980  -4.782  -2.198
  357    HG2  AAR  50           HG2      AAR  50  -7.719  -4.249  -0.004
  358    HG3  AAR  50           HG3      AAR  50  -8.912  -3.636  -1.142
  359    HD2  AAR  50           HD2      AAR  50 -10.356  -5.532  -0.674
  360    HD3  AAR  50           HD3      AAR  50  -9.146  -6.204   0.419
  361    HE   AAR  50           HE       AAR  50  -9.501  -3.887   1.595
  362   HH11  AAR  50          HH21      AAR  50 -11.189  -3.172   2.967
  363   HH12  AAR  50          HH22      AAR  50 -12.780  -3.839   2.797
  364   HH21  AAR  50          HH11      AAR  50 -11.932  -5.977   0.153
  365   HH22  AAR  50          HH12      AAR  50 -13.203  -5.429   1.194
  366   HNT1  AAR  50          HNT1      AAR  50  -8.459  -7.611  -4.667
  367   HNT2  AAR  50          HNT2      AAR  50  -9.355  -8.876  -3.867
  Start of MODEL    5
    1    H1   SER   1           HT1      SER   1  10.326  -3.385   2.973
    2    H2   SER   1           HT2      SER   1  11.362  -2.718   1.917
    3    H3   SER   1           HT3      SER   1  11.568  -4.257   2.390
    4    HA   SER   1           HA       SER   1   9.288  -3.271   0.855
    5    HB2  SER   1           HB2      SER   1  11.669  -4.903  -0.026
    6    HB3  SER   1           HB3      SER   1  10.275  -4.491  -1.025
    7    HG   SER   1           HG       SER   1  12.443  -2.963  -0.326
    8    H    TYR   2           HN       TYR   2   7.713  -4.322   1.921
    9    HA   TYR   2           HA       TYR   2   7.602  -6.814   3.012
   10    HB2  TYR   2           HB2      TYR   2   5.745  -5.297   3.181
   11    HB3  TYR   2           HB3      TYR   2   5.495  -5.325   1.443
   12    HD1  TYR   2           HD1      TYR   2   4.049  -6.890   0.469
   13    HD2  TYR   2           HD2      TYR   2   5.313  -7.438   4.492
   14    HE1  TYR   2           HE1      TYR   2   2.413  -8.702   0.727
   15    HE2  TYR   2           HE2      TYR   2   3.682  -9.261   4.759
   16    HH   TYR   2           HH       TYR   2   2.045 -10.658   2.106
   17    H    GLN   3           HN       GLN   3   7.166  -6.003  -0.410
   18    HA   GLN   3           HA       GLN   3   7.984  -8.679  -1.123
   19    HB2  GLN   3           HB2      GLN   3   5.508  -8.808  -0.828
   20    HB3  GLN   3           HB3      GLN   3   5.331  -7.594  -2.084
   21    HG2  GLN   3           HG2      GLN   3   6.099  -9.044  -3.754
   22    HG3  GLN   3           HG3      GLN   3   6.770 -10.175  -2.581
   23   HE21  GLN   3          HE21      GLN   3   4.484 -10.147  -0.843
   24   HE22  GLN   3          HE22      GLN   3   3.226 -11.020  -1.643
   25    H    ARG   4           HN       ARG   4   9.748  -7.819  -2.075
   26    HA   ARG   4           HA       ARG   4  11.018  -7.147  -3.820
   27    HB2  ARG   4           HB2      ARG   4   9.262  -8.187  -5.230
   28    HB3  ARG   4           HB3      ARG   4   8.419  -6.646  -5.277
   29    HG2  ARG   4           HG2      ARG   4  10.455  -5.658  -6.336
   30    HG3  ARG   4           HG3      ARG   4  11.114  -7.291  -6.446
   31    HD2  ARG   4           HD2      ARG   4   8.598  -6.243  -7.744
   32    HD3  ARG   4           HD3      ARG   4  10.092  -6.724  -8.547
   33    HE   ARG   4           HE       ARG   4   8.689  -8.752  -6.986
   34   HH11  ARG   4          HH11      ARG   4   9.417  -7.411 -10.134
   35   HH12  ARG   4          HH12      ARG   4   9.014  -8.867 -10.988
   36   HH21  ARG   4          HH21      ARG   4   8.169 -10.671  -8.099
   37   HH22  ARG   4          HH22      ARG   4   8.318 -10.729  -9.829
   38    H    ILE   5           HN       ILE   5  11.976  -5.283  -4.544
   39    HA   ILE   5           HA       ILE   5  10.939  -2.771  -3.499
   40    HB   ILE   5           HB       ILE   5  13.509  -3.230  -5.033
   41   HG12  ILE   5          HG12      ILE   5  13.097  -3.185  -2.034
   42   HG13  ILE   5          HG11      ILE   5  13.441  -4.624  -2.985
   43   HG21  ILE   5          HG21      ILE   5  12.773  -0.917  -4.968
   44   HG22  ILE   5          HG22      ILE   5  14.205  -1.131  -3.962
   45   HG23  ILE   5          HG23      ILE   5  12.613  -0.997  -3.213
   46   HD11  ILE   5          HD11      ILE   5  15.608  -3.700  -3.606
   47   HD12  ILE   5          HD12      ILE   5  15.428  -3.809  -1.855
   48   HD13  ILE   5          HD13      ILE   5  15.262  -2.251  -2.662
   49    H    ARG   6           HN       ARG   6   9.358  -1.984  -4.789
   50    HA   ARG   6           HA       ARG   6   9.306  -2.774  -7.551
   51    HB2  ARG   6           HB2      ARG   6   7.264  -1.131  -6.074
   52    HB3  ARG   6           HB3      ARG   6   7.057  -2.084  -7.527
   53    HG2  ARG   6           HG2      ARG   6   7.765  -3.304  -4.888
   54    HG3  ARG   6           HG3      ARG   6   6.102  -3.070  -5.435
   55    HD2  ARG   6           HD2      ARG   6   6.691  -4.347  -7.479
   56    HD3  ARG   6           HD3      ARG   6   8.240  -4.715  -6.733
   57    HE   ARG   6           HE       ARG   6   6.740  -5.682  -4.865
   58   HH11  ARG   6          HH11      ARG   6   6.036  -5.755  -8.308
   59   HH12  ARG   6          HH12      ARG   6   5.137  -7.234  -8.223
   60   HH21  ARG   6          HH21      ARG   6   5.545  -7.630  -4.764
   61   HH22  ARG   6          HH22      ARG   6   4.859  -8.308  -6.205
   62    H    SER   7           HN       SER   7   8.226   0.375  -6.276
   63    HA   SER   7           HA       SER   7   9.272   1.581  -8.708
   64    HB2  SER   7           HB2      SER   7   7.629   2.889  -6.530
   65    HB3  SER   7           HB3      SER   7   7.890   3.477  -8.169
   66    HG   SER   7           HG       SER   7   6.927   1.067  -8.448
   67    H    ASP   8           HN       ASP   8   9.452   2.140  -5.201
   68    HA   ASP   8           HA       ASP   8  12.167   3.121  -5.566
   69    HB2  ASP   8           HB2      ASP   8  11.809   5.019  -4.055
   70    HB3  ASP   8           HB3      ASP   8  10.819   5.156  -5.495
   71    H    HIS   9           HN       HIS   9  12.566   3.874  -2.883
   72    HA   HIS   9           HA       HIS   9  13.532   1.513  -1.888
   73    HB2  HIS   9           HB2      HIS   9  12.887   4.115  -0.526
   74    HB3  HIS   9           HB3      HIS   9  13.683   2.787   0.294
   75    HD1  HIS   9           HD1      HIS   9  16.058   2.057  -0.738
   76    HD2  HIS   9           HD2      HIS   9  14.539   5.716  -1.991
   77    HE1  HIS   9           HE1      HIS   9  18.001   3.286  -1.750
   78    HE2  HIS   9           HE2      HIS   9  17.090   5.546  -2.376
   79    H    ASP  10           HN       ASP  10  10.371   2.995  -1.249
   80    HA   ASP  10           HA       ASP  10   9.706   0.518   0.189
   81    HB2  ASP  10           HB2      ASP  10  10.024   2.887   1.564
   82    HB3  ASP  10           HB3      ASP  10   8.288   2.807   1.296
   83    H    SER  11           HN       SER  11   8.965   2.474  -2.326
   84    HA   SER  11           HA       SER  11   6.109   2.198  -2.182
   85    HB2  SER  11           HB2      SER  11   7.406   3.971  -3.503
   86    HB3  SER  11           HB3      SER  11   7.698   2.695  -4.664
   87    HG   SER  11           HG       SER  11   5.115   3.466  -3.791
   88    H    HIS  12           HN       HIS  12   5.851   0.019  -1.762
   89    HA   HIS  12           HA       HIS  12   6.261  -1.753  -4.079
   90    HB2  HIS  12           HB2      HIS  12   6.616  -3.623  -2.409
   91    HB3  HIS  12           HB3      HIS  12   7.940  -2.473  -2.536
   92    HD1  HIS  12           HD1      HIS  12   5.126  -3.478  -0.193
   93    HD2  HIS  12           HD2      HIS  12   8.554  -1.149  -0.181
   94    HE1  HIS  12           HE1      HIS  12   5.499  -2.786   2.210
   95    HE2  HIS  12           HE2      HIS  12   7.408  -1.151   2.110
   96    H    SER  13           HN       SER  13   4.953  -3.851  -3.649
   97    HA   SER  13           HA       SER  13   2.251  -3.124  -3.042
   98    HB2  SER  13           HB2      SER  13   1.813  -5.557  -3.528
   99    HB3  SER  13           HB3      SER  13   2.603  -4.686  -4.841
  100    HG   SER  13           HG       SER  13   3.429  -6.872  -4.000
  101    H    CYS  14           HN       CYS  14   1.013  -3.914  -1.360
  102    HA   CYS  14           HA       CYS  14   2.373  -5.471   0.705
  103    HB2  CYS  14           HB2      CYS  14   1.414  -4.041   2.459
  104    HB3  CYS  14           HB3      CYS  14   2.512  -3.143   1.426
  105    H    ALA  15           HN       ALA  15   0.619  -6.126   2.380
  106    HA   ALA  15           HA       ALA  15  -1.104  -7.565   2.721
  107    HB1  ALA  15           HB1      ALA  15  -2.568  -5.650   0.915
  108    HB2  ALA  15           HB2      ALA  15  -2.331  -5.450   2.651
  109    HB3  ALA  15           HB3      ALA  15  -3.302  -6.791   2.043
  110    H    ASN  16           HN       ASN  16   0.606  -7.902   0.246
  111    HA   ASN  16           HA       ASN  16   0.853  -9.376  -1.436
  112    HB2  ASN  16           HB2      ASN  16  -1.470 -10.668  -0.027
  113    HB3  ASN  16           HB3      ASN  16  -0.647 -11.410  -1.394
  114   HD21  ASN  16          HD21      ASN  16  -0.859 -12.154   1.495
  115   HD22  ASN  16          HD22      ASN  16   0.776 -12.340   2.026
  116    H    ASN  17           HN       ASN  17   0.181  -7.399  -2.588
  117    HA   ASN  17           HA       ASN  17  -0.640  -6.647  -4.583
  118    HB2  ASN  17           HB2      ASN  17  -1.426  -8.354  -5.832
  119    HB3  ASN  17           HB3      ASN  17  -2.066  -9.201  -4.425
  120   HD21  ASN  17          HD21      ASN  17  -4.111  -8.592  -3.622
  121   HD22  ASN  17          HD22      ASN  17  -5.299  -7.810  -4.616
  122    H    ARG  18           HN       ARG  18  -2.682  -7.323  -1.848
  123    HA   ARG  18           HA       ARG  18  -4.834  -5.670  -2.738
  124    HB2  ARG  18           HB2      ARG  18  -4.279  -7.079  -0.130
  125    HB3  ARG  18           HB3      ARG  18  -5.738  -6.145  -0.436
  126    HG2  ARG  18           HG2      ARG  18  -6.541  -8.143  -1.054
  127    HG3  ARG  18           HG3      ARG  18  -5.773  -7.731  -2.577
  128    HD2  ARG  18           HD2      ARG  18  -5.082  -9.900  -2.198
  129    HD3  ARG  18           HD3      ARG  18  -3.720  -8.931  -1.647
  130    HE   ARG  18           HE       ARG  18  -4.511  -9.320   0.628
  131   HH11  ARG  18          HH11      ARG  18  -5.683 -11.429  -1.907
  132   HH12  ARG  18          HH12      ARG  18  -5.996 -12.753  -0.836
  133   HH21  ARG  18          HH21      ARG  18  -4.950 -11.064   2.044
  134   HH22  ARG  18          HH22      ARG  18  -5.586 -12.546   1.407
  135    H    GLY  19           HN       GLY  19  -2.096  -4.513  -2.232
  136    HA2  GLY  19           HA2      GLY  19  -2.924  -2.079  -0.936
  137    HA3  GLY  19           HA1      GLY  19  -1.827  -3.049   0.027
  138    H    TRP  20           HN       TRP  20  -1.605  -0.382  -1.594
  139    HA   TRP  20           HA       TRP  20   1.091  -1.125  -2.503
  140    HB2  TRP  20           HB2      TRP  20  -0.428  -0.483  -4.473
  141    HB3  TRP  20           HB3      TRP  20  -0.410   1.142  -3.803
  142    HD1  TRP  20           HD1      TRP  20   1.752   2.582  -4.126
  143    HE1  TRP  20           HE1      TRP  20   3.969   2.249  -5.344
  144    HE3  TRP  20           HE3      TRP  20   1.332  -2.399  -5.178
  145    HZ2  TRP  20           HZ2      TRP  20   5.373   0.136  -6.582
  146    HZ3  TRP  20           HZ3      TRP  20   3.175  -3.497  -6.381
  147    HH2  TRP  20           HH2      TRP  20   5.152  -2.255  -7.068
  148    H    CYS  21           HN       CYS  21   2.704   0.159  -1.900
  149    HA   CYS  21           HA       CYS  21   2.222   2.091   0.179
  150    HB2  CYS  21           HB2      CYS  21   4.802   1.342  -1.189
  151    HB3  CYS  21           HB3      CYS  21   4.624   2.139   0.364
  152    H    ARG  22           HN       ARG  22   1.153   3.788  -0.799
  153    HA   ARG  22           HA       ARG  22   2.660   5.287  -2.850
  154    HB2  ARG  22           HB2      ARG  22  -0.289   5.420  -2.219
  155    HB3  ARG  22           HB3      ARG  22   0.522   6.274  -3.513
  156    HG2  ARG  22           HG2      ARG  22   0.983   4.155  -4.612
  157    HG3  ARG  22           HG3      ARG  22   0.178   3.294  -3.292
  158    HD2  ARG  22           HD2      ARG  22  -1.831   4.776  -3.817
  159    HD3  ARG  22           HD3      ARG  22  -1.005   5.154  -5.324
  160    HE   ARG  22           HE       ARG  22  -2.438   2.785  -4.675
  161   HH11  ARG  22          HH11      ARG  22   0.302   3.935  -6.553
  162   HH12  ARG  22          HH12      ARG  22   0.113   2.727  -7.782
  163   HH21  ARG  22          HH21      ARG  22  -2.683   1.232  -6.298
  164   HH22  ARG  22          HH22      ARG  22  -1.572   1.185  -7.632
  165    HA   PRO  23           HA       PRO  23   2.832   8.635   0.106
  166    HB2  PRO  23           HB2      PRO  23   3.110  10.738  -1.565
  167    HB3  PRO  23           HB3      PRO  23   4.411   9.578  -1.296
  168    HG2  PRO  23           HG2      PRO  23   2.489   9.769  -3.576
  169    HG3  PRO  23           HG3      PRO  23   4.226   9.420  -3.603
  170    HD2  PRO  23           HD2      PRO  23   2.291   7.499  -3.795
  171    HD3  PRO  23           HD3      PRO  23   3.910   7.201  -3.135
  172    H    THR  24           HN       THR  24   0.500   8.412  -2.410
  173    HA   THR  24           HA       THR  24  -1.474   9.724  -0.757
  174    HB   THR  24           HB       THR  24  -0.607  11.570  -2.151
  175    HG1  THR  24           HG1      THR  24  -2.620  12.148  -1.945
  176   HG21  THR  24          HG21      THR  24   0.126  10.295  -4.091
  177   HG22  THR  24          HG22      THR  24  -0.994  11.569  -4.572
  178   HG23  THR  24          HG23      THR  24  -1.547   9.896  -4.477
  179    H    CYS  25           HN       CYS  25  -3.444   8.788  -0.978
  180    HA   CYS  25           HA       CYS  25  -3.562   6.382  -2.577
  181    HB2  CYS  25           HB2      CYS  25  -5.543   7.581  -0.629
  182    HB3  CYS  25           HB3      CYS  25  -5.662   5.978  -1.346
  183    H    PHE  26           HN       PHE  26  -4.943   5.972  -4.268
  184    HA   PHE  26           HA       PHE  26  -5.891   8.325  -5.671
  185    HB2  PHE  26           HB2      PHE  26  -5.907   5.388  -6.387
  186    HB3  PHE  26           HB3      PHE  26  -6.528   6.657  -7.442
  187    HD1  PHE  26           HD1      PHE  26  -4.820   8.640  -7.854
  188    HD2  PHE  26           HD2      PHE  26  -3.750   4.684  -6.713
  189    HE1  PHE  26           HE1      PHE  26  -2.570   8.986  -8.781
  190    HE2  PHE  26           HE2      PHE  26  -1.494   5.025  -7.635
  191    HZ   PHE  26           HZ       PHE  26  -0.902   7.179  -8.670
  192    H    SER  27           HN       SER  27  -8.123   8.024  -6.816
  193    HA   SER  27           HA       SER  27 -10.000   8.119  -4.644
  194    HB2  SER  27           HB2      SER  27 -10.419   8.543  -7.611
  195    HB3  SER  27           HB3      SER  27 -11.571   8.954  -6.339
  196    HG   SER  27           HG       SER  27  -9.760  10.283  -5.475
  197    H    HIS  28           HN       HIS  28  -8.970   5.496  -5.210
  198    HA   HIS  28           HA       HIS  28 -11.500   4.097  -5.326
  199    HB2  HIS  28           HB2      HIS  28 -10.879   2.532  -7.052
  200    HB3  HIS  28           HB3      HIS  28 -10.714   4.154  -7.710
  201    HD1  HIS  28           HD1      HIS  28  -8.984   1.032  -7.539
  202    HD2  HIS  28           HD2      HIS  28  -7.825   5.017  -7.562
  203    HE1  HIS  28           HE1      HIS  28  -6.572   1.028  -8.232
  204    HE2  HIS  28           HE2      HIS  28  -5.966   3.457  -8.456
  205    H    GLU  29           HN       GLU  29  -9.223   4.740  -3.493
  206    HA   GLU  29           HA       GLU  29  -8.559   2.000  -2.685
  207    HB2  GLU  29           HB2      GLU  29  -6.598   4.283  -2.858
  208    HB3  GLU  29           HB3      GLU  29  -6.250   2.694  -2.205
  209    HG2  GLU  29           HG2      GLU  29  -6.604   1.699  -4.388
  210    HG3  GLU  29           HG3      GLU  29  -7.032   3.275  -5.052
  211    H    TYR  30           HN       TYR  30  -7.381   2.133  -0.463
  212    HA   TYR  30           HA       TYR  30  -8.326   4.326   1.202
  213    HB2  TYR  30           HB2      TYR  30  -9.425   2.866   2.801
  214    HB3  TYR  30           HB3      TYR  30 -10.156   2.656   1.218
  215    HD1  TYR  30           HD1      TYR  30  -8.066   1.105   3.802
  216    HD2  TYR  30           HD2      TYR  30  -9.980   0.514   0.028
  217    HE1  TYR  30           HE1      TYR  30  -7.756  -1.311   4.041
  218    HE2  TYR  30           HE2      TYR  30  -9.694  -1.910   0.272
  219    HH   TYR  30           HH       TYR  30  -8.773  -3.380   3.209
  220    H    THR  31           HN       THR  31  -7.165   4.514   3.189
  221    HA   THR  31           HA       THR  31  -4.502   3.408   3.035
  222    HB   THR  31           HB       THR  31  -5.673   5.128   5.230
  223    HG1  THR  31           HG1      THR  31  -4.979   5.739   2.643
  224   HG21  THR  31          HG21      THR  31  -3.294   5.776   5.563
  225   HG22  THR  31          HG22      THR  31  -2.836   4.546   4.385
  226   HG23  THR  31          HG23      THR  31  -3.616   4.074   5.896
  227    H    ASP  32           HN       ASP  32  -4.333   1.331   3.606
  228    HA   ASP  32           HA       ASP  32  -5.546   0.400   6.072
  229    HB2  ASP  32           HB2      ASP  32  -4.949  -1.050   3.970
  230    HB3  ASP  32           HB3      ASP  32  -3.348  -1.031   4.651
  231    H    TRP  33           HN       TRP  33  -4.544   0.407   8.004
  232    HA   TRP  33           HA       TRP  33  -1.952   1.708   8.124
  233    HB2  TRP  33           HB2      TRP  33  -4.170   1.274  10.096
  234    HB3  TRP  33           HB3      TRP  33  -2.575   1.827  10.605
  235    HD1  TRP  33           HD1      TRP  33  -5.746   3.084   8.973
  236    HE1  TRP  33           HE1      TRP  33  -5.463   5.565   8.354
  237    HE3  TRP  33           HE3      TRP  33  -0.744   3.528   9.806
  238    HZ2  TRP  33           HZ2      TRP  33  -3.364   7.463   8.233
  239    HZ3  TRP  33           HZ3      TRP  33   0.334   5.691   9.397
  240    HH2  TRP  33           HH2      TRP  33  -0.943   7.614   8.626
  241    H    PHE  34           HN       PHE  34  -3.204  -1.415   8.252
  242    HA   PHE  34           HA       PHE  34  -1.265  -2.580  10.026
  243    HB2  PHE  34           HB2      PHE  34  -3.486  -3.631   9.363
  244    HB3  PHE  34           HB3      PHE  34  -2.779  -3.928   7.769
  245    HD1  PHE  34           HD1      PHE  34  -2.224  -4.603  11.388
  246    HD2  PHE  34           HD2      PHE  34  -1.638  -5.897   7.377
  247    HE1  PHE  34           HE1      PHE  34  -1.299  -6.728  12.214
  248    HE2  PHE  34           HE2      PHE  34  -0.712  -8.025   8.195
  249    HZ   PHE  34           HZ       PHE  34  -0.540  -8.444  10.617
  250    H    ASN  35           HN       ASN  35  -1.751  -2.749   6.517
  251    HA   ASN  35           HA       ASN  35   0.944  -3.571   6.078
  252    HB2  ASN  35           HB2      ASN  35  -0.588  -2.518   3.788
  253    HB3  ASN  35           HB3      ASN  35   0.295  -4.009   3.965
  254   HD21  ASN  35          HD21      ASN  35  -0.705  -5.728   5.062
  255   HD22  ASN  35          HD22      ASN  35  -2.415  -5.891   5.081
  256    H    ASN  36           HN       ASN  36  -0.362  -0.666   6.889
  257    HA   ASN  36           HA       ASN  36   1.385   1.058   5.419
  258    HB2  ASN  36           HB2      ASN  36  -0.737   1.730   6.690
  259    HB3  ASN  36           HB3      ASN  36   0.242   1.633   8.140
  260   HD21  ASN  36          HD21      ASN  36  -1.133   3.812   6.672
  261   HD22  ASN  36          HD22      ASN  36   0.059   5.050   6.520
  262    H    ASP  37           HN       ASP  37   1.518  -0.814   8.357
  263    HA   ASP  37           HA       ASP  37   3.875   0.251   9.438
  264    HB2  ASP  37           HB2      ASP  37   2.377  -1.252  10.692
  265    HB3  ASP  37           HB3      ASP  37   2.850  -2.582   9.643
  266    H    VAL  38           HN       VAL  38   3.314  -2.291   7.046
  267    HA   VAL  38           HA       VAL  38   6.089  -2.978   6.814
  268    HB   VAL  38           HB       VAL  38   5.566  -4.319   4.951
  269   HG11  VAL  38          HG11      VAL  38   4.727  -5.190   7.049
  270   HG12  VAL  38          HG12      VAL  38   3.681  -5.672   5.715
  271   HG13  VAL  38          HG13      VAL  38   3.187  -4.369   6.794
  272   HG21  VAL  38          HG21      VAL  38   3.477  -4.252   3.699
  273   HG22  VAL  38          HG22      VAL  38   4.324  -2.704   3.614
  274   HG23  VAL  38          HG23      VAL  38   2.922  -2.887   4.675
  275    H    CYS  39           HN       CYS  39   4.021  -0.627   5.383
  276    HA   CYS  39           HA       CYS  39   5.941   0.157   3.373
  277    HB2  CYS  39           HB2      CYS  39   3.320   1.399   4.242
  278    HB3  CYS  39           HB3      CYS  39   4.284   1.937   2.871
  279    H    GLY  40           HN       GLY  40   7.584   0.481   5.155
  280    HA2  GLY  40           HA2      GLY  40   7.238   2.652   6.990
  281    HA3  GLY  40           HA1      GLY  40   8.725   1.761   6.708
  282    H    SER  41           HN       SER  41   6.612   4.131   5.194
  283    HA   SER  41           HA       SER  41   8.216   6.288   4.912
  284    HB2  SER  41           HB2      SER  41   9.823   4.841   3.639
  285    HB3  SER  41           HB3      SER  41   8.561   4.542   2.448
  286    HG   SER  41           HG       SER  41  10.116   6.801   2.875
  287    H    TYR  42           HN       TYR  42   5.878   4.144   3.719
  288    HA   TYR  42           HA       TYR  42   4.350   6.313   2.436
  289    HB2  TYR  42           HB2      TYR  42   4.905   3.504   1.542
  290    HB3  TYR  42           HB3      TYR  42   3.509   4.389   0.942
  291    HD1  TYR  42           HD1      TYR  42   4.193   6.903   0.223
  292    HD2  TYR  42           HD2      TYR  42   6.748   3.512   0.143
  293    HE1  TYR  42           HE1      TYR  42   5.606   8.011  -1.434
  294    HE2  TYR  42           HE2      TYR  42   8.177   4.617  -1.486
  295    HH   TYR  42           HH       TYR  42   8.148   6.366  -3.095
  296    H    ARG  43           HN       ARG  43   2.088   4.981   1.879
  297    HA   ARG  43           HA       ARG  43   1.183   3.728   4.371
  298    HB2  ARG  43           HB2      ARG  43  -0.884   4.990   4.290
  299    HB3  ARG  43           HB3      ARG  43   0.468   6.108   4.308
  300    HG2  ARG  43           HG2      ARG  43   0.061   5.822   1.641
  301    HG3  ARG  43           HG3      ARG  43  -1.581   5.667   2.269
  302    HD2  ARG  43           HD2      ARG  43  -1.241   7.973   1.849
  303    HD3  ARG  43           HD3      ARG  43  -1.147   7.761   3.599
  304    HE   ARG  43           HE       ARG  43   1.384   7.672   2.201
  305   HH11  ARG  43          HH11      ARG  43  -0.936   9.653   3.900
  306   HH12  ARG  43          HH12      ARG  43   0.214  10.888   4.297
  307   HH21  ARG  43          HH21      ARG  43   2.913   9.300   2.720
  308   HH22  ARG  43          HH22      ARG  43   2.404  10.682   3.637
  309    H    CYS  44           HN       CYS  44  -0.462   2.106   4.031
  310    HA   CYS  44           HA       CYS  44  -0.164   0.963   1.401
  311    HB2  CYS  44           HB2      CYS  44  -0.058  -0.517   3.326
  312    HB3  CYS  44           HB3      CYS  44  -1.685  -0.096   3.791
  313    H    CYS  45           HN       CYS  45  -1.219   2.302   0.056
  314    HA   CYS  45           HA       CYS  45  -4.008   2.898   0.379
  315    HB2  CYS  45           HB2      CYS  45  -2.187   3.141  -2.025
  316    HB3  CYS  45           HB3      CYS  45  -3.813   3.812  -1.906
  317    H    ARG  46           HN       ARG  46  -4.857   0.858   0.722
  318    HA   ARG  46           HA       ARG  46  -4.559  -1.273  -1.151
  319    HB2  ARG  46           HB2      ARG  46  -6.588  -0.837   1.041
  320    HB3  ARG  46           HB3      ARG  46  -6.390  -2.334   0.142
  321    HG2  ARG  46           HG2      ARG  46  -4.026  -2.400   0.990
  322    HG3  ARG  46           HG3      ARG  46  -4.451  -1.050   2.043
  323    HD2  ARG  46           HD2      ARG  46  -4.754  -2.911   3.398
  324    HD3  ARG  46           HD3      ARG  46  -6.384  -2.548   2.836
  325    HE   ARG  46           HE       ARG  46  -5.489  -4.365   1.045
  326   HH11  ARG  46          HH11      ARG  46  -5.656  -4.235   4.536
  327   HH12  ARG  46          HH12      ARG  46  -5.783  -5.959   4.728
  328   HH21  ARG  46          HH21      ARG  46  -5.684  -6.653   1.297
  329   HH22  ARG  46          HH22      ARG  46  -5.795  -7.334   2.885
  330    HA   PRO  47           HA       PRO  47  -7.582   0.003  -4.204
  331    HB2  PRO  47           HB2      PRO  47  -7.789  -2.961  -4.390
  332    HB3  PRO  47           HB3      PRO  47  -7.572  -1.772  -5.674
  333    HG2  PRO  47           HG2      PRO  47  -5.553  -3.325  -4.824
  334    HG3  PRO  47           HG3      PRO  47  -5.293  -1.662  -5.369
  335    HD2  PRO  47           HD2      PRO  47  -5.250  -2.778  -2.629
  336    HD3  PRO  47           HD3      PRO  47  -4.402  -1.369  -3.291
  337    H    GLY  48           HN       GLY  48  -9.719   0.356  -3.844
  338    HA2  GLY  48           HA2      GLY  48 -11.006  -0.517  -1.515
  339    HA3  GLY  48           HA1      GLY  48 -11.821   0.176  -2.913
  340    H    ARG  49           HN       ARG  49 -10.386  -2.284  -4.286
  341    HA   ARG  49           HA       ARG  49 -12.423  -4.268  -3.528
  342    HB2  ARG  49           HB2      ARG  49 -11.750  -5.203  -5.923
  343    HB3  ARG  49           HB3      ARG  49 -13.035  -4.028  -5.700
  344    HG2  ARG  49           HG2      ARG  49 -11.699  -3.383  -7.572
  345    HG3  ARG  49           HG3      ARG  49 -11.423  -2.238  -6.264
  346    HD2  ARG  49           HD2      ARG  49  -9.345  -2.838  -7.410
  347    HD3  ARG  49           HD3      ARG  49  -9.327  -3.324  -5.719
  348    HE   ARG  49           HE       ARG  49 -10.202  -5.533  -7.099
  349   HH11  ARG  49          HH11      ARG  49  -7.373  -3.476  -7.247
  350   HH12  ARG  49          HH12      ARG  49  -6.295  -4.765  -7.673
  351   HH21  ARG  49          HH21      ARG  49  -8.775  -7.242  -7.670
  352   HH22  ARG  49          HH22      ARG  49  -7.092  -6.903  -7.908
  353    H    AAR  50           HN       AAR  50  -9.356  -3.596  -3.037
  354    HA   AAR  50           HA       AAR  50  -7.446  -4.651  -2.586
  355    HB2  AAR  50           HB2      AAR  50  -8.991  -6.987  -1.608
  356    HB3  AAR  50           HB3      AAR  50  -7.705  -6.075  -0.849
  357    HG2  AAR  50           HG2      AAR  50  -9.133  -4.311  -0.230
  358    HG3  AAR  50           HG3      AAR  50 -10.432  -4.914  -1.257
  359    HD2  AAR  50           HD2      AAR  50 -11.102  -5.535   0.871
  360    HD3  AAR  50           HD3      AAR  50 -10.360  -7.000   0.240
  361    HE   AAR  50           HE       AAR  50  -8.817  -5.174   1.961
  362   HH11  AAR  50          HH21      AAR  50  -7.963  -6.144   3.865
  363   HH12  AAR  50          HH22      AAR  50  -8.242  -7.830   4.169
  364   HH21  AAR  50          HH11      AAR  50 -10.160  -8.343   1.291
  365   HH22  AAR  50          HH12      AAR  50  -9.487  -9.073   2.714
  366   HNT1  AAR  50          HNT1      AAR  50  -8.985  -7.799  -3.021
  367   HNT2  AAR  50          HNT2      AAR  50  -7.982  -8.297  -4.355
  Start of MODEL    6
    1    H1   SER   1           HT1      SER   1  11.508  -5.172   2.698
    2    H2   SER   1           HT2      SER   1  10.310  -4.181   3.173
    3    H3   SER   1           HT3      SER   1  11.442  -3.644   2.142
    4    HA   SER   1           HA       SER   1   9.423  -4.081   0.963
    5    HB2  SER   1           HB2      SER   1  10.449  -5.816  -0.636
    6    HB3  SER   1           HB3      SER   1  11.358  -4.330  -0.363
    7    HG   SER   1           HG       SER   1  12.652  -6.248  -0.226
    8    H    TYR   2           HN       TYR   2   7.643  -4.902   2.003
    9    HA   TYR   2           HA       TYR   2   7.329  -7.456   3.067
   10    HB2  TYR   2           HB2      TYR   2   5.706  -5.571   3.289
   11    HB3  TYR   2           HB3      TYR   2   5.224  -5.833   1.619
   12    HD1  TYR   2           HD1      TYR   2   3.562  -7.421   1.088
   13    HD2  TYR   2           HD2      TYR   2   5.335  -7.453   4.955
   14    HE1  TYR   2           HE1      TYR   2   1.871  -9.041   1.843
   15    HE2  TYR   2           HE2      TYR   2   3.653  -9.072   5.720
   16    HH   TYR   2           HH       TYR   2   1.562 -10.721   3.573
   17    H    GLN   3           HN       GLN   3   7.268  -6.345  -0.234
   18    HA   GLN   3           HA       GLN   3   7.626  -9.016  -1.203
   19    HB2  GLN   3           HB2      GLN   3   5.121  -8.773  -1.003
   20    HB3  GLN   3           HB3      GLN   3   5.218  -7.478  -2.189
   21    HG2  GLN   3           HG2      GLN   3   6.267  -9.117  -3.760
   22    HG3  GLN   3           HG3      GLN   3   5.896 -10.378  -2.585
   23   HE21  GLN   3          HE21      GLN   3   4.949 -10.068  -5.300
   24   HE22  GLN   3          HE22      GLN   3   3.221  -9.997  -5.208
   25    H    ARG   4           HN       ARG   4   9.578  -8.076  -1.848
   26    HA   ARG   4           HA       ARG   4  11.044  -7.230  -3.344
   27    HB2  ARG   4           HB2      ARG   4   9.544  -8.334  -5.005
   28    HB3  ARG   4           HB3      ARG   4   8.666  -6.819  -5.168
   29    HG2  ARG   4           HG2      ARG   4  10.923  -5.788  -5.789
   30    HG3  ARG   4           HG3      ARG   4  11.481  -7.446  -5.984
   31    HD2  ARG   4           HD2      ARG   4   9.637  -7.812  -7.613
   32    HD3  ARG   4           HD3      ARG   4   9.233  -6.096  -7.476
   33    HE   ARG   4           HE       ARG   4  11.719  -5.832  -8.168
   34   HH11  ARG   4          HH11      ARG   4   9.487  -8.249  -9.360
   35   HH12  ARG   4          HH12      ARG   4  10.268  -8.387 -10.901
   36   HH21  ARG   4          HH21      ARG   4  12.754  -6.021 -10.192
   37   HH22  ARG   4          HH22      ARG   4  12.135  -7.133 -11.370
   38    H    ILE   5           HN       ILE   5  11.871  -5.282  -4.233
   39    HA   ILE   5           HA       ILE   5  10.374  -2.840  -3.588
   40    HB   ILE   5           HB       ILE   5  13.311  -3.273  -4.171
   41   HG12  ILE   5          HG12      ILE   5  11.841  -2.365  -1.688
   42   HG13  ILE   5          HG11      ILE   5  12.650  -3.909  -1.918
   43   HG21  ILE   5          HG21      ILE   5  13.614  -0.873  -3.774
   44   HG22  ILE   5          HG22      ILE   5  11.865  -0.676  -3.666
   45   HG23  ILE   5          HG23      ILE   5  12.602  -1.184  -5.186
   46   HD11  ILE   5          HD11      ILE   5  14.795  -2.767  -2.063
   47   HD12  ILE   5          HD12      ILE   5  13.971  -2.408  -0.546
   48   HD13  ILE   5          HD13      ILE   5  13.986  -1.217  -1.846
   49    H    ARG   6           HN       ARG   6   9.212  -2.122  -5.293
   50    HA   ARG   6           HA       ARG   6   9.956  -3.062  -7.934
   51    HB2  ARG   6           HB2      ARG   6   7.442  -1.830  -6.827
   52    HB3  ARG   6           HB3      ARG   6   7.699  -2.079  -8.535
   53    HG2  ARG   6           HG2      ARG   6   6.361  -3.862  -7.659
   54    HG3  ARG   6           HG3      ARG   6   7.929  -4.478  -8.163
   55    HD2  ARG   6           HD2      ARG   6   8.615  -4.890  -6.018
   56    HD3  ARG   6           HD3      ARG   6   7.574  -3.650  -5.331
   57    HE   ARG   6           HE       ARG   6   6.251  -5.411  -4.798
   58   HH11  ARG   6          HH11      ARG   6   7.474  -6.098  -8.042
   59   HH12  ARG   6          HH12      ARG   6   6.423  -7.457  -8.256
   60   HH21  ARG   6          HH21      ARG   6   4.883  -7.170  -5.144
   61   HH22  ARG   6          HH22      ARG   6   4.974  -8.064  -6.631
   62    H    SER   7           HN       SER   7   8.444   0.008  -6.934
   63    HA   SER   7           HA       SER   7   9.905   1.315  -9.083
   64    HB2  SER   7           HB2      SER   7   7.745   2.427  -7.276
   65    HB3  SER   7           HB3      SER   7   8.347   3.154  -8.767
   66    HG   SER   7           HG       SER   7   7.095   1.884  -9.871
   67    H    ASP   8           HN       ASP   8   9.337   1.783  -5.609
   68    HA   ASP   8           HA       ASP   8  11.929   3.130  -5.436
   69    HB2  ASP   8           HB2      ASP   8   9.292   4.183  -4.456
   70    HB3  ASP   8           HB3      ASP   8  10.791   4.638  -3.654
   71    H    HIS   9           HN       HIS   9  12.419   3.457  -2.934
   72    HA   HIS   9           HA       HIS   9  12.817   0.897  -1.940
   73    HB2  HIS   9           HB2      HIS   9  12.997   3.626  -0.714
   74    HB3  HIS   9           HB3      HIS   9  13.282   2.188   0.247
   75    HD1  HIS   9           HD1      HIS   9  15.318   0.645  -0.564
   76    HD2  HIS   9           HD2      HIS   9  15.121   4.451  -2.212
   77    HE1  HIS   9           HE1      HIS   9  17.569   1.049  -1.596
   78    HE2  HIS   9           HE2      HIS   9  17.357   3.273  -2.755
   79    H    ASP  10           HN       ASP  10  10.343   3.284  -1.123
   80    HA   ASP  10           HA       ASP  10   9.156   1.416   0.773
   81    HB2  ASP  10           HB2      ASP  10   8.403   4.254   0.063
   82    HB3  ASP  10           HB3      ASP  10   7.580   3.277   1.268
   83    H    SER  11           HN       SER  11   8.762   2.406  -2.492
   84    HA   SER  11           HA       SER  11   5.917   1.948  -2.582
   85    HB2  SER  11           HB2      SER  11   7.362   3.554  -4.073
   86    HB3  SER  11           HB3      SER  11   7.620   2.108  -5.039
   87    HG   SER  11           HG       SER  11   5.169   3.390  -4.432
   88    H    HIS  12           HN       HIS  12   5.492  -0.147  -2.061
   89    HA   HIS  12           HA       HIS  12   6.104  -2.082  -4.137
   90    HB2  HIS  12           HB2      HIS  12   6.654  -3.843  -2.480
   91    HB3  HIS  12           HB3      HIS  12   7.861  -2.570  -2.552
   92    HD1  HIS  12           HD1      HIS  12   5.216  -4.025  -0.301
   93    HD2  HIS  12           HD2      HIS  12   8.142  -1.073  -0.179
   94    HE1  HIS  12           HE1      HIS  12   5.450  -3.368   2.127
   95    HE2  HIS  12           HE2      HIS  12   7.248  -1.613   2.170
   96    H    SER  13           HN       SER  13   4.898  -4.156  -3.712
   97    HA   SER  13           HA       SER  13   2.168  -3.598  -3.136
   98    HB2  SER  13           HB2      SER  13   1.914  -6.087  -3.519
   99    HB3  SER  13           HB3      SER  13   2.646  -5.204  -4.856
  100    HG   SER  13           HG       SER  13   3.694  -7.175  -3.277
  101    H    CYS  14           HN       CYS  14   0.989  -4.138  -1.383
  102    HA   CYS  14           HA       CYS  14   2.278  -5.670   0.753
  103    HB2  CYS  14           HB2      CYS  14   1.399  -4.126   2.439
  104    HB3  CYS  14           HB3      CYS  14   2.499  -3.300   1.348
  105    H    ALA  15           HN       ALA  15   0.358  -5.969   2.515
  106    HA   ALA  15           HA       ALA  15  -1.393  -7.365   2.921
  107    HB1  ALA  15           HB1      ALA  15  -2.553  -5.253   2.610
  108    HB2  ALA  15           HB2      ALA  15  -3.537  -6.612   2.058
  109    HB3  ALA  15           HB3      ALA  15  -2.711  -5.588   0.884
  110    H    ASN  16           HN       ASN  16   0.364  -8.067   0.552
  111    HA   ASN  16           HA       ASN  16   0.566  -9.789  -0.886
  112    HB2  ASN  16           HB2      ASN  16  -1.942 -10.692   0.517
  113    HB3  ASN  16           HB3      ASN  16  -1.100 -11.675  -0.672
  114   HD21  ASN  16          HD21      ASN  16   0.920 -12.537  -0.151
  115   HD22  ASN  16          HD22      ASN  16   1.507 -12.586   1.475
  116    H    ASN  17           HN       ASN  17  -0.033  -7.762  -2.188
  117    HA   ASN  17           HA       ASN  17  -0.723  -7.176  -4.305
  118    HB2  ASN  17           HB2      ASN  17  -1.521  -9.000  -5.401
  119    HB3  ASN  17           HB3      ASN  17  -2.350  -9.619  -3.976
  120   HD21  ASN  17          HD21      ASN  17  -4.364  -8.641  -3.399
  121   HD22  ASN  17          HD22      ASN  17  -5.396  -7.917  -4.595
  122    H    ARG  18           HN       ARG  18  -2.837  -7.573  -1.586
  123    HA   ARG  18           HA       ARG  18  -4.916  -5.918  -2.653
  124    HB2  ARG  18           HB2      ARG  18  -4.505  -7.213   0.042
  125    HB3  ARG  18           HB3      ARG  18  -5.922  -6.252  -0.363
  126    HG2  ARG  18           HG2      ARG  18  -6.727  -8.310  -0.851
  127    HG3  ARG  18           HG3      ARG  18  -6.014  -7.913  -2.409
  128    HD2  ARG  18           HD2      ARG  18  -5.296 -10.079  -2.011
  129    HD3  ARG  18           HD3      ARG  18  -3.923  -9.085  -1.541
  130    HE   ARG  18           HE       ARG  18  -5.151  -9.416   0.797
  131   HH11  ARG  18          HH11      ARG  18  -4.338 -11.710  -1.717
  132   HH12  ARG  18          HH12      ARG  18  -4.127 -13.032  -0.613
  133   HH21  ARG  18          HH21      ARG  18  -4.877 -11.157   2.247
  134   HH22  ARG  18          HH22      ARG  18  -4.428 -12.717   1.634
  135    H    GLY  19           HN       GLY  19  -2.183  -4.813  -2.142
  136    HA2  GLY  19           HA2      GLY  19  -2.966  -2.307  -0.936
  137    HA3  GLY  19           HA1      GLY  19  -1.857  -3.258   0.033
  138    H    TRP  20           HN       TRP  20  -1.665  -0.657  -1.700
  139    HA   TRP  20           HA       TRP  20   1.035  -1.430  -2.583
  140    HB2  TRP  20           HB2      TRP  20  -0.482  -0.774  -4.565
  141    HB3  TRP  20           HB3      TRP  20  -0.441   0.847  -3.894
  142    HD1  TRP  20           HD1      TRP  20   1.683   2.273  -4.271
  143    HE1  TRP  20           HE1      TRP  20   3.910   1.937  -5.460
  144    HE3  TRP  20           HE3      TRP  20   1.332  -2.737  -5.204
  145    HZ2  TRP  20           HZ2      TRP  20   5.348  -0.175  -6.639
  146    HZ3  TRP  20           HZ3      TRP  20   3.198  -3.834  -6.372
  147    HH2  TRP  20           HH2      TRP  20   5.160  -2.574  -7.075
  148    H    CYS  21           HN       CYS  21   2.626  -0.242  -1.799
  149    HA   CYS  21           HA       CYS  21   2.034   1.756   0.172
  150    HB2  CYS  21           HB2      CYS  21   4.711   0.964  -0.964
  151    HB3  CYS  21           HB3      CYS  21   4.399   1.771   0.570
  152    H    ARG  22           HN       ARG  22   1.355   3.647  -0.521
  153    HA   ARG  22           HA       ARG  22   2.877   4.992  -2.660
  154    HB2  ARG  22           HB2      ARG  22  -0.081   5.213  -2.093
  155    HB3  ARG  22           HB3      ARG  22   0.782   6.093  -3.337
  156    HG2  ARG  22           HG2      ARG  22   1.236   4.003  -4.486
  157    HG3  ARG  22           HG3      ARG  22   0.388   3.115  -3.212
  158    HD2  ARG  22           HD2      ARG  22  -1.599   4.600  -3.747
  159    HD3  ARG  22           HD3      ARG  22  -0.729   5.060  -5.203
  160    HE   ARG  22           HE       ARG  22  -2.168   2.664  -4.718
  161   HH11  ARG  22          HH11      ARG  22   0.593   3.938  -6.460
  162   HH12  ARG  22          HH12      ARG  22   0.464   2.786  -7.746
  163   HH21  ARG  22          HH21      ARG  22  -2.345   1.170  -6.414
  164   HH22  ARG  22          HH22      ARG  22  -1.207   1.213  -7.724
  165    HA   PRO  23           HA       PRO  23   3.124   8.311   0.337
  166    HB2  PRO  23           HB2      PRO  23   3.585  10.397  -1.342
  167    HB3  PRO  23           HB3      PRO  23   4.823   9.220  -0.900
  168    HG2  PRO  23           HG2      PRO  23   3.264   9.477  -3.409
  169    HG3  PRO  23           HG3      PRO  23   4.916   8.892  -3.157
  170    HD2  PRO  23           HD2      PRO  23   2.686   7.290  -3.580
  171    HD3  PRO  23           HD3      PRO  23   4.225   6.754  -2.881
  172    H    THR  24           HN       THR  24   0.894   8.173  -2.250
  173    HA   THR  24           HA       THR  24  -1.097   9.556  -0.704
  174    HB   THR  24           HB       THR  24  -0.126  11.447  -1.886
  175    HG1  THR  24           HG1      THR  24  -2.384  11.175  -3.450
  176   HG21  THR  24          HG21      THR  24  -0.141  11.576  -4.329
  177   HG22  THR  24          HG22      THR  24  -0.719   9.912  -4.413
  178   HG23  THR  24          HG23      THR  24   0.881  10.257  -3.759
  179    H    CYS  25           HN       CYS  25  -3.142   8.852  -1.186
  180    HA   CYS  25           HA       CYS  25  -3.221   6.396  -2.732
  181    HB2  CYS  25           HB2      CYS  25  -5.269   7.687  -0.915
  182    HB3  CYS  25           HB3      CYS  25  -5.404   6.083  -1.627
  183    H    PHE  26           HN       PHE  26  -4.623   5.960  -4.413
  184    HA   PHE  26           HA       PHE  26  -5.470   8.304  -5.924
  185    HB2  PHE  26           HB2      PHE  26  -5.418   5.357  -6.597
  186    HB3  PHE  26           HB3      PHE  26  -5.992   6.608  -7.699
  187    HD1  PHE  26           HD1      PHE  26  -4.279   8.613  -8.001
  188    HD2  PHE  26           HD2      PHE  26  -3.246   4.659  -6.832
  189    HE1  PHE  26           HE1      PHE  26  -1.987   8.983  -8.802
  190    HE2  PHE  26           HE2      PHE  26  -0.946   5.021  -7.629
  191    HZ   PHE  26           HZ       PHE  26  -0.315   7.186  -8.615
  192    H    SER  27           HN       SER  27  -7.635   8.088  -7.093
  193    HA   SER  27           HA       SER  27  -9.623   8.041  -5.033
  194    HB2  SER  27           HB2      SER  27  -9.868   8.587  -7.998
  195    HB3  SER  27           HB3      SER  27 -11.115   8.904  -6.791
  196    HG   SER  27           HG       SER  27  -9.982  10.545  -6.004
  197    H    HIS  28           HN       HIS  28  -8.616   5.467  -5.444
  198    HA   HIS  28           HA       HIS  28 -11.121   4.075  -5.759
  199    HB2  HIS  28           HB2      HIS  28 -10.368   2.454  -7.397
  200    HB3  HIS  28           HB3      HIS  28 -10.215   4.063  -8.088
  201    HD1  HIS  28           HD1      HIS  28  -8.359   1.000  -7.525
  202    HD2  HIS  28           HD2      HIS  28  -7.418   5.015  -8.047
  203    HE1  HIS  28           HE1      HIS  28  -5.924   1.048  -8.140
  204    HE2  HIS  28           HE2      HIS  28  -5.445   3.462  -8.663
  205    H    GLU  29           HN       GLU  29  -8.999   4.746  -3.782
  206    HA   GLU  29           HA       GLU  29  -8.332   2.041  -2.893
  207    HB2  GLU  29           HB2      GLU  29  -6.366   4.317  -3.075
  208    HB3  GLU  29           HB3      GLU  29  -6.040   2.747  -2.363
  209    HG2  GLU  29           HG2      GLU  29  -6.304   1.685  -4.518
  210    HG3  GLU  29           HG3      GLU  29  -6.748   3.227  -5.249
  211    H    TYR  30           HN       TYR  30  -7.160   2.298  -0.656
  212    HA   TYR  30           HA       TYR  30  -8.136   4.540   0.909
  213    HB2  TYR  30           HB2      TYR  30  -9.278   3.140   2.547
  214    HB3  TYR  30           HB3      TYR  30 -10.001   2.915   0.960
  215    HD1  TYR  30           HD1      TYR  30  -7.914   1.377   3.559
  216    HD2  TYR  30           HD2      TYR  30  -9.897   0.757  -0.170
  217    HE1  TYR  30           HE1      TYR  30  -7.631  -1.034   3.825
  218    HE2  TYR  30           HE2      TYR  30  -9.631  -1.673   0.097
  219    HH   TYR  30           HH       TYR  30  -8.712  -3.091   3.041
  220    H    THR  31           HN       THR  31  -7.164   4.551   3.094
  221    HA   THR  31           HA       THR  31  -4.439   3.569   2.940
  222    HB   THR  31           HB       THR  31  -5.706   5.193   5.151
  223    HG1  THR  31           HG1      THR  31  -4.989   5.880   2.584
  224   HG21  THR  31          HG21      THR  31  -2.834   4.769   4.317
  225   HG22  THR  31          HG22      THR  31  -3.604   4.181   5.793
  226   HG23  THR  31          HG23      THR  31  -3.368   5.913   5.548
  227    H    ASP  32           HN       ASP  32  -4.096   1.540   3.555
  228    HA   ASP  32           HA       ASP  32  -5.402   0.498   5.949
  229    HB2  ASP  32           HB2      ASP  32  -4.873  -0.927   3.879
  230    HB3  ASP  32           HB3      ASP  32  -3.210  -0.831   4.385
  231    H    TRP  33           HN       TRP  33  -4.436   0.488   7.898
  232    HA   TRP  33           HA       TRP  33  -1.861   1.818   8.091
  233    HB2  TRP  33           HB2      TRP  33  -4.126   1.364  10.011
  234    HB3  TRP  33           HB3      TRP  33  -2.553   1.950  10.550
  235    HD1  TRP  33           HD1      TRP  33  -5.721   3.146   8.894
  236    HE1  TRP  33           HE1      TRP  33  -5.470   5.620   8.232
  237    HE3  TRP  33           HE3      TRP  33  -0.721   3.671   9.706
  238    HZ2  TRP  33           HZ2      TRP  33  -3.391   7.538   8.063
  239    HZ3  TRP  33           HZ3      TRP  33   0.331   5.837   9.250
  240    HH2  TRP  33           HH2      TRP  33  -0.975   7.722   8.440
  241    H    PHE  34           HN       PHE  34  -3.144  -1.308   8.279
  242    HA   PHE  34           HA       PHE  34  -1.188  -2.467  10.034
  243    HB2  PHE  34           HB2      PHE  34  -3.452  -3.475   9.333
  244    HB3  PHE  34           HB3      PHE  34  -2.672  -3.873   7.799
  245    HD1  PHE  34           HD1      PHE  34  -0.804  -5.498   7.761
  246    HD2  PHE  34           HD2      PHE  34  -3.062  -4.742  11.288
  247    HE1  PHE  34           HE1      PHE  34   0.033  -7.593   8.744
  248    HE2  PHE  34           HE2      PHE  34  -2.230  -6.835  12.274
  249    HZ   PHE  34           HZ       PHE  34  -0.678  -8.263  11.002
  250    H    ASN  35           HN       ASN  35  -1.730  -2.602   6.544
  251    HA   ASN  35           HA       ASN  35   0.882  -3.566   5.985
  252    HB2  ASN  35           HB2      ASN  35  -0.824  -2.239   3.917
  253    HB3  ASN  35           HB3      ASN  35   0.210  -3.626   3.779
  254   HD21  ASN  35          HD21      ASN  35  -0.645  -5.200   5.745
  255   HD22  ASN  35          HD22      ASN  35  -2.253  -5.710   5.436
  256    H    ASN  36           HN       ASN  36  -0.427  -0.490   6.648
  257    HA   ASN  36           HA       ASN  36   1.367   1.182   5.268
  258    HB2  ASN  36           HB2      ASN  36  -0.711   1.834   6.630
  259    HB3  ASN  36           HB3      ASN  36   0.338   1.762   8.030
  260   HD21  ASN  36          HD21      ASN  36  -1.140   3.898   6.602
  261   HD22  ASN  36          HD22      ASN  36   0.021   5.151   6.383
  262    H    ASP  37           HN       ASP  37   1.604  -0.617   8.264
  263    HA   ASP  37           HA       ASP  37   4.027   0.451   9.183
  264    HB2  ASP  37           HB2      ASP  37   2.619  -0.956  10.602
  265    HB3  ASP  37           HB3      ASP  37   2.939  -2.338   9.560
  266    H    VAL  38           HN       VAL  38   3.357  -2.326   7.051
  267    HA   VAL  38           HA       VAL  38   6.116  -3.005   6.720
  268    HB   VAL  38           HB       VAL  38   5.505  -4.509   5.023
  269   HG11  VAL  38          HG11      VAL  38   4.735  -5.154   7.221
  270   HG12  VAL  38          HG12      VAL  38   3.634  -5.751   5.980
  271   HG13  VAL  38          HG13      VAL  38   3.196  -4.339   6.942
  272   HG21  VAL  38          HG21      VAL  38   4.234  -3.024   3.573
  273   HG22  VAL  38          HG22      VAL  38   2.875  -3.055   4.705
  274   HG23  VAL  38          HG23      VAL  38   3.356  -4.529   3.857
  275    H    CYS  39           HN       CYS  39   3.998  -0.780   5.171
  276    HA   CYS  39           HA       CYS  39   5.519  -0.280   2.856
  277    HB2  CYS  39           HB2      CYS  39   3.414   1.323   4.300
  278    HB3  CYS  39           HB3      CYS  39   4.142   1.847   2.785
  279    H    GLY  40           HN       GLY  40   5.991   0.677   6.113
  280    HA2  GLY  40           HA2      GLY  40   7.767   1.816   7.042
  281    HA3  GLY  40           HA1      GLY  40   8.465   1.913   5.437
  282    H    SER  41           HN       SER  41   8.367   3.778   4.330
  283    HA   SER  41           HA       SER  41   7.436   6.077   5.869
  284    HB2  SER  41           HB2      SER  41   9.775   5.906   4.947
  285    HB3  SER  41           HB3      SER  41   9.081   6.053   3.334
  286    HG   SER  41           HG       SER  41   8.060   8.021   4.737
  287    H    TYR  42           HN       TYR  42   6.167   4.082   3.646
  288    HA   TYR  42           HA       TYR  42   4.460   6.175   2.459
  289    HB2  TYR  42           HB2      TYR  42   5.332   3.482   1.479
  290    HB3  TYR  42           HB3      TYR  42   3.787   4.130   0.954
  291    HD1  TYR  42           HD1      TYR  42   5.684   6.976   1.331
  292    HD2  TYR  42           HD2      TYR  42   5.421   3.537  -1.150
  293    HE1  TYR  42           HE1      TYR  42   6.792   8.200  -0.476
  294    HE2  TYR  42           HE2      TYR  42   6.525   4.743  -2.957
  295    HH   TYR  42           HH       TYR  42   8.129   7.702  -2.490
  296    H    ARG  43           HN       ARG  43   2.227   5.275   1.966
  297    HA   ARG  43           HA       ARG  43   1.237   3.814   4.324
  298    HB2  ARG  43           HB2      ARG  43  -0.831   5.126   4.083
  299    HB3  ARG  43           HB3      ARG  43   0.561   6.172   4.318
  300    HG2  ARG  43           HG2      ARG  43   0.529   6.184   1.668
  301    HG3  ARG  43           HG3      ARG  43  -1.174   5.820   1.946
  302    HD2  ARG  43           HD2      ARG  43  -0.921   8.193   1.766
  303    HD3  ARG  43           HD3      ARG  43  -1.297   7.792   3.441
  304    HE   ARG  43           HE       ARG  43   1.525   8.066   2.816
  305   HH11  ARG  43          HH11      ARG  43  -1.386   9.674   3.913
  306   HH12  ARG  43          HH12      ARG  43  -0.532  10.901   4.788
  307   HH21  ARG  43          HH21      ARG  43   2.651   9.699   3.966
  308   HH22  ARG  43          HH22      ARG  43   1.758  10.923   4.809
  309    H    CYS  44           HN       CYS  44  -0.357   2.175   3.933
  310    HA   CYS  44           HA       CYS  44  -0.048   1.077   1.282
  311    HB2  CYS  44           HB2      CYS  44   0.043  -0.462   3.151
  312    HB3  CYS  44           HB3      CYS  44  -1.568  -0.035   3.647
  313    H    CYS  45           HN       CYS  45  -1.122   2.246  -0.136
  314    HA   CYS  45           HA       CYS  45  -3.920   2.860   0.222
  315    HB2  CYS  45           HB2      CYS  45  -2.126   3.124  -2.201
  316    HB3  CYS  45           HB3      CYS  45  -3.741   3.814  -2.032
  317    H    ARG  46           HN       ARG  46  -4.881   0.907   0.492
  318    HA   ARG  46           HA       ARG  46  -4.473  -1.279  -1.326
  319    HB2  ARG  46           HB2      ARG  46  -6.536  -0.848   0.841
  320    HB3  ARG  46           HB3      ARG  46  -6.311  -2.351  -0.042
  321    HG2  ARG  46           HG2      ARG  46  -4.013  -2.482   0.844
  322    HG3  ARG  46           HG3      ARG  46  -4.323  -1.024   1.782
  323    HD2  ARG  46           HD2      ARG  46  -4.690  -2.765   3.297
  324    HD3  ARG  46           HD3      ARG  46  -6.309  -2.315   2.767
  325    HE   ARG  46           HE       ARG  46  -5.605  -4.327   1.085
  326   HH11  ARG  46          HH11      ARG  46  -5.665  -3.962   4.568
  327   HH12  ARG  46          HH12      ARG  46  -6.022  -5.639   4.864
  328   HH21  ARG  46          HH21      ARG  46  -6.074  -6.551   1.487
  329   HH22  ARG  46          HH22      ARG  46  -6.219  -7.118   3.115
  330    HA   PRO  47           HA       PRO  47  -7.481  -0.096  -4.368
  331    HB2  PRO  47           HB2      PRO  47  -8.135  -2.670  -5.141
  332    HB3  PRO  47           HB3      PRO  47  -6.777  -1.748  -5.786
  333    HG2  PRO  47           HG2      PRO  47  -6.810  -3.889  -3.717
  334    HG3  PRO  47           HG3      PRO  47  -5.584  -3.531  -4.946
  335    HD2  PRO  47           HD2      PRO  47  -5.288  -2.873  -2.336
  336    HD3  PRO  47           HD3      PRO  47  -4.581  -1.911  -3.644
  337    H    GLY  48           HN       GLY  48  -9.558   0.430  -3.973
  338    HA2  GLY  48           HA2      GLY  48 -10.857  -0.359  -1.624
  339    HA3  GLY  48           HA1      GLY  48 -11.631   0.455  -2.973
  340    H    ARG  49           HN       ARG  49 -10.400  -2.319  -4.198
  341    HA   ARG  49           HA       ARG  49 -12.740  -3.926  -3.482
  342    HB2  ARG  49           HB2      ARG  49 -12.549  -4.759  -5.967
  343    HB3  ARG  49           HB3      ARG  49 -13.465  -3.317  -5.565
  344    HG2  ARG  49           HG2      ARG  49 -12.157  -2.910  -7.534
  345    HG3  ARG  49           HG3      ARG  49 -11.524  -1.939  -6.207
  346    HD2  ARG  49           HD2      ARG  49  -9.731  -2.938  -7.537
  347    HD3  ARG  49           HD3      ARG  49  -9.718  -3.532  -5.879
  348    HE   ARG  49           HE       ARG  49 -11.100  -5.458  -7.016
  349   HH11  ARG  49          HH11      ARG  49  -8.280  -3.809  -8.275
  350   HH12  ARG  49          HH12      ARG  49  -7.706  -5.196  -9.144
  351   HH21  ARG  49          HH21      ARG  49 -10.342  -7.281  -8.153
  352   HH22  ARG  49          HH22      ARG  49  -8.881  -7.168  -9.081
  353    H    AAR  50           HN       AAR  50  -9.815  -3.917  -2.747
  354    HA   AAR  50           HA       AAR  50  -8.381  -6.035  -3.572
  355    HB2  AAR  50           HB2      AAR  50  -7.924  -6.318  -0.960
  356    HB3  AAR  50           HB3      AAR  50  -7.279  -4.983  -1.897
  357    HG2  AAR  50           HG2      AAR  50  -8.110  -4.004   0.049
  358    HG3  AAR  50           HG3      AAR  50  -9.337  -3.675  -1.169
  359    HD2  AAR  50           HD2      AAR  50 -10.671  -4.364   0.538
  360    HD3  AAR  50           HD3      AAR  50 -10.358  -5.919  -0.228
  361    HE   AAR  50           HE       AAR  50  -8.740  -4.980   2.047
  362   HH11  AAR  50          HH21      AAR  50  -8.514  -6.491   3.756
  363   HH12  AAR  50          HH22      AAR  50  -9.287  -8.039   3.637
  364   HH21  AAR  50          HH11      AAR  50 -10.770  -7.402   0.527
  365   HH22  AAR  50          HH12      AAR  50 -10.592  -8.545   1.821
  366   HNT1  AAR  50          HNT1      AAR  50  -9.010  -8.011  -4.118
  367   HNT2  AAR  50          HNT2      AAR  50 -10.048  -9.045  -3.174
  Start of MODEL    7
    1    H1   SER   1           HT1      SER   1   9.948  -3.625   2.973
    2    H2   SER   1           HT2      SER   1  11.306  -3.018   2.323
    3    H3   SER   1           HT3      SER   1  11.341  -4.458   3.070
    4    HA   SER   1           HA       SER   1   9.899  -3.858   0.592
    5    HB2  SER   1           HB2      SER   1  12.278  -5.685   0.996
    6    HB3  SER   1           HB3      SER   1  11.566  -5.157  -0.529
    7    HG   SER   1           HG       SER   1  13.553  -4.048   0.256
    8    H    TYR   2           HN       TYR   2   8.045  -4.742   1.959
    9    HA   TYR   2           HA       TYR   2   7.901  -7.444   2.654
   10    HB2  TYR   2           HB2      TYR   2   6.199  -5.768   3.257
   11    HB3  TYR   2           HB3      TYR   2   5.712  -5.655   1.573
   12    HD1  TYR   2           HD1      TYR   2   3.945  -6.953   0.819
   13    HD2  TYR   2           HD2      TYR   2   6.019  -8.140   4.337
   14    HE1  TYR   2           HE1      TYR   2   2.285  -8.731   1.188
   15    HE2  TYR   2           HE2      TYR   2   4.373  -9.927   4.712
   16    HH   TYR   2           HH       TYR   2   2.091 -10.465   4.127
   17    H    GLN   3           HN       GLN   3   7.718  -5.876  -0.457
   18    HA   GLN   3           HA       GLN   3   7.976  -8.423  -1.778
   19    HB2  GLN   3           HB2      GLN   3   5.476  -7.964  -1.490
   20    HB3  GLN   3           HB3      GLN   3   5.696  -6.636  -2.620
   21    HG2  GLN   3           HG2      GLN   3   4.880  -8.491  -3.848
   22    HG3  GLN   3           HG3      GLN   3   6.581  -8.289  -4.269
   23   HE21  GLN   3          HE21      GLN   3   8.065  -9.827  -3.608
   24   HE22  GLN   3          HE22      GLN   3   7.591 -11.376  -3.013
   25    H    ARG   4           HN       ARG   4   9.995  -7.074  -1.878
   26    HA   ARG   4           HA       ARG   4  11.582  -6.154  -3.195
   27    HB2  ARG   4           HB2      ARG   4  10.415  -7.449  -4.999
   28    HB3  ARG   4           HB3      ARG   4   9.504  -5.994  -5.371
   29    HG2  ARG   4           HG2      ARG   4  11.820  -4.885  -5.634
   30    HG3  ARG   4           HG3      ARG   4  12.420  -6.539  -5.748
   31    HD2  ARG   4           HD2      ARG   4  10.401  -5.187  -7.527
   32    HD3  ARG   4           HD3      ARG   4  12.026  -5.714  -7.959
   33    HE   ARG   4           HE       ARG   4   9.849  -7.580  -7.260
   34   HH11  ARG   4          HH11      ARG   4  12.636  -6.708  -9.195
   35   HH12  ARG   4          HH12      ARG   4  12.584  -8.157 -10.145
   36   HH21  ARG   4          HH21      ARG   4   9.776  -9.482  -8.524
   37   HH22  ARG   4          HH22      ARG   4  10.967  -9.734  -9.759
   38    H    ILE   5           HN       ILE   5  12.408  -4.155  -3.816
   39    HA   ILE   5           HA       ILE   5  10.721  -1.831  -3.348
   40    HB   ILE   5           HB       ILE   5  13.641  -1.988  -4.141
   41   HG12  ILE   5          HG12      ILE   5  12.362  -1.477  -1.445
   42   HG13  ILE   5          HG11      ILE   5  13.209  -2.946  -1.917
   43   HG21  ILE   5          HG21      ILE   5  12.005   0.354  -3.175
   44   HG22  ILE   5          HG22      ILE   5  12.612   0.117  -4.812
   45   HG23  ILE   5          HG23      ILE   5  13.741   0.369  -3.481
   46   HD11  ILE   5          HD11      ILE   5  14.602  -1.523  -0.530
   47   HD12  ILE   5          HD12      ILE   5  14.431  -0.206  -1.687
   48   HD13  ILE   5          HD13      ILE   5  15.280  -1.681  -2.151
   49    H    ARG   6           HN       ARG   6   9.313  -1.672  -5.035
   50    HA   ARG   6           HA       ARG   6  10.146  -2.322  -7.712
   51    HB2  ARG   6           HB2      ARG   6   7.636  -1.966  -6.311
   52    HB3  ARG   6           HB3      ARG   6   7.609  -1.207  -7.898
   53    HG2  ARG   6           HG2      ARG   6   6.814  -3.370  -8.247
   54    HG3  ARG   6           HG3      ARG   6   8.496  -3.430  -8.768
   55    HD2  ARG   6           HD2      ARG   6   8.559  -5.271  -7.470
   56    HD3  ARG   6           HD3      ARG   6   8.778  -4.095  -6.175
   57    HE   ARG   6           HE       ARG   6   6.805  -4.792  -5.318
   58   HH11  ARG   6          HH11      ARG   6   6.802  -5.499  -8.760
   59   HH12  ARG   6          HH12      ARG   6   5.278  -6.324  -8.723
   60   HH21  ARG   6          HH21      ARG   6   4.778  -5.916  -5.282
   61   HH22  ARG   6          HH22      ARG   6   4.127  -6.537  -6.765
   62    H    SER   7           HN       SER   7   8.246   0.528  -6.745
   63    HA   SER   7           HA       SER   7   9.580   2.002  -8.860
   64    HB2  SER   7           HB2      SER   7   7.105   2.078  -8.646
   65    HB3  SER   7           HB3      SER   7   7.282   2.869  -7.083
   66    HG   SER   7           HG       SER   7   8.209   3.863  -9.580
   67    H    ASP   8           HN       ASP   8   8.517   3.251  -5.712
   68    HA   ASP   8           HA       ASP   8  11.063   4.633  -5.450
   69    HB2  ASP   8           HB2      ASP   8   8.593   4.815  -3.718
   70    HB3  ASP   8           HB3      ASP   8  10.022   5.830  -3.591
   71    H    HIS   9           HN       HIS   9  11.678   4.791  -2.917
   72    HA   HIS   9           HA       HIS   9  12.846   2.306  -2.392
   73    HB2  HIS   9           HB2      HIS   9  13.814   4.412  -1.601
   74    HB3  HIS   9           HB3      HIS   9  12.452   4.644  -0.514
   75    HD1  HIS   9           HD1      HIS   9  15.596   2.649  -0.923
   76    HD2  HIS   9           HD2      HIS   9  12.531   3.138   1.841
   77    HE1  HIS   9           HE1      HIS   9  16.396   1.529   1.179
   78    HE2  HIS   9           HE2      HIS   9  14.472   1.713   2.791
   79    H    ASP  10           HN       ASP  10   9.972   3.832  -1.062
   80    HA   ASP  10           HA       ASP  10   9.522   1.531   0.691
   81    HB2  ASP  10           HB2      ASP  10   8.108   4.198   0.508
   82    HB3  ASP  10           HB3      ASP  10   7.664   2.916   1.621
   83    H    SER  11           HN       SER  11   8.848   2.289  -2.421
   84    HA   SER  11           HA       SER  11   6.002   1.771  -2.380
   85    HB2  SER  11           HB2      SER  11   7.275   3.396  -3.962
   86    HB3  SER  11           HB3      SER  11   7.626   1.943  -4.891
   87    HG   SER  11           HG       SER  11   5.023   2.785  -4.128
   88    H    HIS  12           HN       HIS  12   5.511  -0.258  -1.932
   89    HA   HIS  12           HA       HIS  12   6.194  -2.261  -3.915
   90    HB2  HIS  12           HB2      HIS  12   6.746  -3.960  -2.206
   91    HB3  HIS  12           HB3      HIS  12   7.914  -2.648  -2.222
   92    HD1  HIS  12           HD1      HIS  12   5.209  -4.185  -0.114
   93    HD2  HIS  12           HD2      HIS  12   8.016  -1.124   0.141
   94    HE1  HIS  12           HE1      HIS  12   5.304  -3.535   2.316
   95    HE2  HIS  12           HE2      HIS  12   7.116  -1.800   2.462
   96    H    SER  13           HN       SER  13   4.878  -4.310  -3.391
   97    HA   SER  13           HA       SER  13   2.184  -3.508  -2.783
   98    HB2  SER  13           HB2      SER  13   1.776  -6.020  -3.259
   99    HB3  SER  13           HB3      SER  13   2.303  -4.993  -4.592
  100    HG   SER  13           HG       SER  13   3.445  -7.177  -3.763
  101    H    CYS  14           HN       CYS  14   0.868  -4.492  -1.225
  102    HA   CYS  14           HA       CYS  14   2.144  -6.024   0.905
  103    HB2  CYS  14           HB2      CYS  14   1.145  -4.548   2.624
  104    HB3  CYS  14           HB3      CYS  14   2.375  -3.737   1.665
  105    H    ALA  15           HN       ALA  15   0.334  -6.638   2.533
  106    HA   ALA  15           HA       ALA  15  -1.567  -7.816   2.920
  107    HB1  ALA  15           HB1      ALA  15  -2.753  -5.770   1.055
  108    HB2  ALA  15           HB2      ALA  15  -2.559  -5.604   2.802
  109    HB3  ALA  15           HB3      ALA  15  -3.661  -6.817   2.145
  110    H    ASN  16           HN       ASN  16   0.097  -8.539   0.497
  111    HA   ASN  16           HA       ASN  16   0.108 -10.158  -1.086
  112    HB2  ASN  16           HB2      ASN  16  -2.513 -10.855   0.224
  113    HB3  ASN  16           HB3      ASN  16  -1.892 -11.752  -1.153
  114   HD21  ASN  16          HD21      ASN  16   0.148 -10.405   1.352
  115   HD22  ASN  16          HD22      ASN  16   0.636 -11.912   2.036
  116    H    ASN  17           HN       ASN  17  -0.038  -8.111  -2.335
  117    HA   ASN  17           HA       ASN  17  -0.655  -7.127  -4.298
  118    HB2  ASN  17           HB2      ASN  17  -1.488  -8.693  -5.685
  119    HB3  ASN  17           HB3      ASN  17  -2.297  -9.546  -4.371
  120   HD21  ASN  17          HD21      ASN  17  -4.361  -8.824  -3.717
  121   HD22  ASN  17          HD22      ASN  17  -5.388  -7.885  -4.761
  122    H    ARG  18           HN       ARG  18  -3.046  -7.677  -1.811
  123    HA   ARG  18           HA       ARG  18  -4.968  -5.840  -2.831
  124    HB2  ARG  18           HB2      ARG  18  -4.707  -7.178  -0.138
  125    HB3  ARG  18           HB3      ARG  18  -6.088  -6.209  -0.632
  126    HG2  ARG  18           HG2      ARG  18  -6.999  -8.036  -1.484
  127    HG3  ARG  18           HG3      ARG  18  -5.698  -8.099  -2.657
  128    HD2  ARG  18           HD2      ARG  18  -5.891 -10.209  -1.494
  129    HD3  ARG  18           HD3      ARG  18  -4.360  -9.415  -1.107
  130    HE   ARG  18           HE       ARG  18  -5.125  -9.002   1.045
  131   HH11  ARG  18          HH11      ARG  18  -7.546 -10.675  -0.852
  132   HH12  ARG  18          HH12      ARG  18  -8.468 -11.173   0.528
  133   HH21  ARG  18          HH21      ARG  18  -6.329  -9.671   2.867
  134   HH22  ARG  18          HH22      ARG  18  -7.771 -10.611   2.647
  135    H    GLY  19           HN       GLY  19  -2.166  -4.937  -2.113
  136    HA2  GLY  19           HA2      GLY  19  -2.907  -2.401  -0.918
  137    HA3  GLY  19           HA1      GLY  19  -1.852  -3.409   0.056
  138    H    TRP  20           HN       TRP  20  -1.523  -0.792  -1.607
  139    HA   TRP  20           HA       TRP  20   1.161  -1.606  -2.444
  140    HB2  TRP  20           HB2      TRP  20  -0.247  -1.321  -4.519
  141    HB3  TRP  20           HB3      TRP  20  -0.434   0.377  -4.077
  142    HD1  TRP  20           HD1      TRP  20   1.681   1.961  -4.374
  143    HE1  TRP  20           HE1      TRP  20   3.969   1.665  -5.483
  144    HE3  TRP  20           HE3      TRP  20   1.538  -3.081  -5.121
  145    HZ2  TRP  20           HZ2      TRP  20   5.514  -0.458  -6.534
  146    HZ3  TRP  20           HZ3      TRP  20   3.467  -4.164  -6.192
  147    HH2  TRP  20           HH2      TRP  20   5.408  -2.876  -6.890
  148    H    CYS  21           HN       CYS  21   2.715  -0.309  -1.783
  149    HA   CYS  21           HA       CYS  21   2.077   1.774   0.070
  150    HB2  CYS  21           HB2      CYS  21   4.782   1.061  -1.041
  151    HB3  CYS  21           HB3      CYS  21   4.421   1.864   0.484
  152    H    ARG  22           HN       ARG  22   1.394   3.645  -0.629
  153    HA   ARG  22           HA       ARG  22   2.923   4.991  -2.754
  154    HB2  ARG  22           HB2      ARG  22  -0.064   5.068  -2.324
  155    HB3  ARG  22           HB3      ARG  22   0.803   6.076  -3.460
  156    HG2  ARG  22           HG2      ARG  22   1.502   4.028  -4.656
  157    HG3  ARG  22           HG3      ARG  22   0.499   3.090  -3.541
  158    HD2  ARG  22           HD2      ARG  22  -0.515   3.791  -5.812
  159    HD3  ARG  22           HD3      ARG  22  -1.482   3.999  -4.349
  160    HE   ARG  22           HE       ARG  22  -1.435   6.251  -4.675
  161   HH11  ARG  22          HH11      ARG  22   1.065   4.806  -6.655
  162   HH12  ARG  22          HH12      ARG  22   1.608   6.319  -7.301
  163   HH21  ARG  22          HH21      ARG  22  -0.713   8.247  -5.507
  164   HH22  ARG  22          HH22      ARG  22   0.588   8.280  -6.657
  165    HA   PRO  23           HA       PRO  23   2.894   8.357   0.194
  166    HB2  PRO  23           HB2      PRO  23   3.396  10.436  -1.475
  167    HB3  PRO  23           HB3      PRO  23   4.636   9.286  -0.969
  168    HG2  PRO  23           HG2      PRO  23   3.209   9.518  -3.552
  169    HG3  PRO  23           HG3      PRO  23   4.843   8.931  -3.215
  170    HD2  PRO  23           HD2      PRO  23   2.599   7.345  -3.727
  171    HD3  PRO  23           HD3      PRO  23   4.129   6.794  -3.026
  172    H    THR  24           HN       THR  24   0.785   8.152  -2.508
  173    HA   THR  24           HA       THR  24  -1.182   9.838  -1.154
  174    HB   THR  24           HB       THR  24  -1.818  10.658  -3.543
  175    HG1  THR  24           HG1      THR  24   0.849  10.694  -4.201
  176   HG21  THR  24          HG21      THR  24   0.633  11.730  -2.150
  177   HG22  THR  24          HG22      THR  24  -1.040  12.130  -1.762
  178   HG23  THR  24          HG23      THR  24  -0.358  12.606  -3.317
  179    H    CYS  25           HN       CYS  25  -2.958   8.620  -0.903
  180    HA   CYS  25           HA       CYS  25  -3.407   6.309  -2.567
  181    HB2  CYS  25           HB2      CYS  25  -5.082   7.483  -0.338
  182    HB3  CYS  25           HB3      CYS  25  -5.329   5.914  -1.087
  183    H    PHE  26           HN       PHE  26  -4.675   6.184  -4.282
  184    HA   PHE  26           HA       PHE  26  -6.004   8.496  -5.322
  185    HB2  PHE  26           HB2      PHE  26  -6.131   5.612  -6.209
  186    HB3  PHE  26           HB3      PHE  26  -6.773   6.982  -7.113
  187    HD1  PHE  26           HD1      PHE  26  -4.115   4.804  -6.881
  188    HD2  PHE  26           HD2      PHE  26  -4.953   8.938  -7.413
  189    HE1  PHE  26           HE1      PHE  26  -1.925   5.105  -7.952
  190    HE2  PHE  26           HE2      PHE  26  -2.765   9.247  -8.481
  191    HZ   PHE  26           HZ       PHE  26  -1.242   7.326  -8.746
  192    H    SER  27           HN       SER  27  -8.360   8.184  -6.166
  193    HA   SER  27           HA       SER  27 -10.018   7.974  -3.884
  194    HB2  SER  27           HB2      SER  27 -10.877   8.029  -6.779
  195    HB3  SER  27           HB3      SER  27 -11.850   8.477  -5.379
  196    HG   SER  27           HG       SER  27 -10.847  10.257  -6.582
  197    H    HIS  28           HN       HIS  28  -9.070   5.735  -6.354
  198    HA   HIS  28           HA       HIS  28 -11.100   3.846  -5.535
  199    HB2  HIS  28           HB2      HIS  28 -10.335   2.392  -7.270
  200    HB3  HIS  28           HB3      HIS  28 -10.369   4.019  -7.941
  201    HD1  HIS  28           HD1      HIS  28  -8.295   1.110  -7.772
  202    HD2  HIS  28           HD2      HIS  28  -7.579   5.204  -7.857
  203    HE1  HIS  28           HE1      HIS  28  -5.907   1.364  -8.505
  204    HE2  HIS  28           HE2      HIS  28  -5.563   3.844  -8.738
  205    H    GLU  29           HN       GLU  29  -8.673   4.820  -3.867
  206    HA   GLU  29           HA       GLU  29  -8.038   2.129  -2.876
  207    HB2  GLU  29           HB2      GLU  29  -6.070   4.405  -3.065
  208    HB3  GLU  29           HB3      GLU  29  -5.749   2.794  -2.443
  209    HG2  GLU  29           HG2      GLU  29  -5.964   1.836  -4.608
  210    HG3  GLU  29           HG3      GLU  29  -6.578   3.346  -5.279
  211    H    TYR  30           HN       TYR  30  -7.049   2.297  -0.642
  212    HA   TYR  30           HA       TYR  30  -7.852   4.666   0.857
  213    HB2  TYR  30           HB2      TYR  30  -9.024   3.367   2.553
  214    HB3  TYR  30           HB3      TYR  30  -9.783   3.134   0.984
  215    HD1  TYR  30           HD1      TYR  30  -7.891   1.565   3.675
  216    HD2  TYR  30           HD2      TYR  30  -9.619   0.971  -0.165
  217    HE1  TYR  30           HE1      TYR  30  -7.705  -0.858   3.983
  218    HE2  TYR  30           HE2      TYR  30  -9.451  -1.473   0.126
  219    HH   TYR  30           HH       TYR  30  -8.718  -2.879   3.176
  220    H    THR  31           HN       THR  31  -6.925   4.649   3.060
  221    HA   THR  31           HA       THR  31  -4.196   3.691   2.879
  222    HB   THR  31           HB       THR  31  -5.479   5.424   5.000
  223    HG1  THR  31           HG1      THR  31  -4.564   5.943   2.438
  224   HG21  THR  31          HG21      THR  31  -3.110   6.112   5.403
  225   HG22  THR  31          HG22      THR  31  -2.607   4.812   4.324
  226   HG23  THR  31          HG23      THR  31  -3.455   4.435   5.822
  227    H    ASP  32           HN       ASP  32  -4.166   1.536   3.356
  228    HA   ASP  32           HA       ASP  32  -5.326   0.500   5.789
  229    HB2  ASP  32           HB2      ASP  32  -4.915  -0.888   3.729
  230    HB3  ASP  32           HB3      ASP  32  -3.210  -0.737   4.027
  231    H    TRP  33           HN       TRP  33  -4.451   0.735   7.738
  232    HA   TRP  33           HA       TRP  33  -1.859   2.002   7.938
  233    HB2  TRP  33           HB2      TRP  33  -4.132   1.546   9.851
  234    HB3  TRP  33           HB3      TRP  33  -2.564   2.141  10.398
  235    HD1  TRP  33           HD1      TRP  33  -5.721   3.311   8.710
  236    HE1  TRP  33           HE1      TRP  33  -5.489   5.783   8.055
  237    HE3  TRP  33           HE3      TRP  33  -0.741   3.880   9.601
  238    HZ2  TRP  33           HZ2      TRP  33  -3.427   7.721   7.912
  239    HZ3  TRP  33           HZ3      TRP  33   0.296   6.059   9.164
  240    HH2  TRP  33           HH2      TRP  33  -1.015   7.929   8.327
  241    H    PHE  34           HN       PHE  34  -3.212  -1.118   8.338
  242    HA   PHE  34           HA       PHE  34  -1.283  -2.243  10.084
  243    HB2  PHE  34           HB2      PHE  34  -3.450  -3.325   9.413
  244    HB3  PHE  34           HB3      PHE  34  -2.763  -3.598   7.808
  245    HD1  PHE  34           HD1      PHE  34  -1.822  -4.177  11.377
  246    HD2  PHE  34           HD2      PHE  34  -1.948  -5.695   7.404
  247    HE1  PHE  34           HE1      PHE  34  -0.862  -6.303  12.162
  248    HE2  PHE  34           HE2      PHE  34  -0.990  -7.823   8.182
  249    HZ   PHE  34           HZ       PHE  34  -0.444  -8.129  10.564
  250    H    ASN  35           HN       ASN  35  -1.619  -2.424   6.568
  251    HA   ASN  35           HA       ASN  35   1.083  -3.335   6.253
  252    HB2  ASN  35           HB2      ASN  35  -1.064  -2.565   4.286
  253    HB3  ASN  35           HB3      ASN  35   0.537  -3.095   3.796
  254   HD21  ASN  35          HD21      ASN  35  -2.489  -4.009   5.119
  255   HD22  ASN  35          HD22      ASN  35  -2.243  -5.721   5.076
  256    H    ASN  36           HN       ASN  36  -0.338  -0.309   6.665
  257    HA   ASN  36           HA       ASN  36   1.438   1.335   5.233
  258    HB2  ASN  36           HB2      ASN  36  -0.626   2.054   6.539
  259    HB3  ASN  36           HB3      ASN  36   0.363   1.948   7.982
  260   HD21  ASN  36          HD21      ASN  36  -1.012   4.125   6.531
  261   HD22  ASN  36          HD22      ASN  36   0.179   5.358   6.365
  262    H    ASP  37           HN       ASP  37   1.680  -0.412   8.242
  263    HA   ASP  37           HA       ASP  37   4.159   0.655   9.070
  264    HB2  ASP  37           HB2      ASP  37   2.645  -0.529  10.607
  265    HB3  ASP  37           HB3      ASP  37   2.942  -2.025   9.729
  266    H    VAL  38           HN       VAL  38   3.293  -2.231   7.153
  267    HA   VAL  38           HA       VAL  38   5.984  -3.133   6.880
  268    HB   VAL  38           HB       VAL  38   5.282  -4.661   5.222
  269   HG11  VAL  38          HG11      VAL  38   3.266  -5.698   6.178
  270   HG12  VAL  38          HG12      VAL  38   3.001  -4.240   7.136
  271   HG13  VAL  38          HG13      VAL  38   4.444  -5.218   7.400
  272   HG21  VAL  38          HG21      VAL  38   4.116  -3.066   3.748
  273   HG22  VAL  38          HG22      VAL  38   2.726  -3.104   4.834
  274   HG23  VAL  38          HG23      VAL  38   3.217  -4.569   3.974
  275    H    CYS  39           HN       CYS  39   4.033  -0.876   5.135
  276    HA   CYS  39           HA       CYS  39   5.656  -0.497   2.890
  277    HB2  CYS  39           HB2      CYS  39   3.667   1.289   4.280
  278    HB3  CYS  39           HB3      CYS  39   4.472   1.741   2.781
  279    H    GLY  40           HN       GLY  40   5.773   0.927   6.113
  280    HA2  GLY  40           HA2      GLY  40   7.728   1.838   7.073
  281    HA3  GLY  40           HA1      GLY  40   8.425   1.970   5.469
  282    H    SER  41           HN       SER  41   8.341   3.867   4.434
  283    HA   SER  41           HA       SER  41   7.262   6.099   5.957
  284    HB2  SER  41           HB2      SER  41   9.582   6.167   5.130
  285    HB3  SER  41           HB3      SER  41   8.988   6.069   3.474
  286    HG   SER  41           HG       SER  41   7.695   8.047   4.231
  287    H    TYR  42           HN       TYR  42   6.252   4.112   3.480
  288    HA   TYR  42           HA       TYR  42   4.416   6.141   2.402
  289    HB2  TYR  42           HB2      TYR  42   5.402   3.506   1.384
  290    HB3  TYR  42           HB3      TYR  42   3.828   4.088   0.864
  291    HD1  TYR  42           HD1      TYR  42   5.552   3.596  -1.221
  292    HD2  TYR  42           HD2      TYR  42   5.526   7.035   1.274
  293    HE1  TYR  42           HE1      TYR  42   6.600   4.891  -3.003
  294    HE2  TYR  42           HE2      TYR  42   6.580   8.340  -0.502
  295    HH   TYR  42           HH       TYR  42   6.989   7.076  -3.726
  296    H    ARG  43           HN       ARG  43   2.229   5.186   1.863
  297    HA   ARG  43           HA       ARG  43   1.274   3.695   4.212
  298    HB2  ARG  43           HB2      ARG  43  -0.798   4.974   4.029
  299    HB3  ARG  43           HB3      ARG  43   0.574   6.054   4.203
  300    HG2  ARG  43           HG2      ARG  43   0.442   6.031   1.554
  301    HG3  ARG  43           HG3      ARG  43  -1.241   5.641   1.911
  302    HD2  ARG  43           HD2      ARG  43  -0.992   8.025   1.673
  303    HD3  ARG  43           HD3      ARG  43  -1.378   7.628   3.347
  304    HE   ARG  43           HE       ARG  43   1.437   7.840   2.887
  305   HH11  ARG  43          HH11      ARG  43  -1.467   9.718   3.413
  306   HH12  ARG  43          HH12      ARG  43  -0.632  11.036   4.166
  307   HH21  ARG  43          HH21      ARG  43   2.537   9.565   3.894
  308   HH22  ARG  43          HH22      ARG  43   1.648  10.954   4.431
  309    H    CYS  44           HN       CYS  44  -0.287   2.054   3.834
  310    HA   CYS  44           HA       CYS  44   0.017   0.880   1.227
  311    HB2  CYS  44           HB2      CYS  44   0.060  -0.569   3.165
  312    HB3  CYS  44           HB3      CYS  44  -1.540  -0.076   3.631
  313    H    CYS  45           HN       CYS  45  -1.026   2.097  -0.226
  314    HA   CYS  45           HA       CYS  45  -3.795   2.809   0.112
  315    HB2  CYS  45           HB2      CYS  45  -1.984   2.994  -2.307
  316    HB3  CYS  45           HB3      CYS  45  -3.569   3.750  -2.143
  317    H    ARG  46           HN       ARG  46  -4.663   0.766   0.474
  318    HA   ARG  46           HA       ARG  46  -4.462  -1.366  -1.408
  319    HB2  ARG  46           HB2      ARG  46  -6.533  -0.859   0.736
  320    HB3  ARG  46           HB3      ARG  46  -6.309  -2.373  -0.126
  321    HG2  ARG  46           HG2      ARG  46  -4.027  -2.513   0.837
  322    HG3  ARG  46           HG3      ARG  46  -4.394  -1.077   1.794
  323    HD2  ARG  46           HD2      ARG  46  -4.814  -2.913   3.212
  324    HD3  ARG  46           HD3      ARG  46  -6.400  -2.348   2.681
  325    HE   ARG  46           HE       ARG  46  -5.684  -4.331   0.918
  326   HH11  ARG  46          HH11      ARG  46  -6.078  -4.049   4.380
  327   HH12  ARG  46          HH12      ARG  46  -6.675  -5.668   4.581
  328   HH21  ARG  46          HH21      ARG  46  -6.486  -6.484   1.182
  329   HH22  ARG  46          HH22      ARG  46  -6.909  -7.049   2.763
  330    HA   PRO  47           HA       PRO  47  -7.487  -0.038  -4.450
  331    HB2  PRO  47           HB2      PRO  47  -8.039  -2.967  -4.462
  332    HB3  PRO  47           HB3      PRO  47  -7.710  -1.885  -5.817
  333    HG2  PRO  47           HG2      PRO  47  -5.866  -3.624  -4.895
  334    HG3  PRO  47           HG3      PRO  47  -5.427  -2.038  -5.562
  335    HD2  PRO  47           HD2      PRO  47  -5.443  -2.972  -2.752
  336    HD3  PRO  47           HD3      PRO  47  -4.453  -1.719  -3.525
  337    H    GLY  48           HN       GLY  48  -9.468   0.694  -3.897
  338    HA2  GLY  48           HA2      GLY  48 -10.720  -0.067  -1.471
  339    HA3  GLY  48           HA1      GLY  48 -11.389   1.018  -2.674
  340    H    ARG  49           HN       ARG  49 -10.486  -2.299  -3.185
  341    HA   ARG  49           HA       ARG  49 -13.110  -3.348  -2.747
  342    HB2  ARG  49           HB2      ARG  49 -13.398  -4.291  -5.015
  343    HB3  ARG  49           HB3      ARG  49 -13.465  -2.541  -5.013
  344    HG2  ARG  49           HG2      ARG  49 -10.967  -4.036  -5.707
  345    HG3  ARG  49           HG3      ARG  49 -12.209  -3.660  -6.897
  346    HD2  ARG  49           HD2      ARG  49 -10.695  -1.662  -5.220
  347    HD3  ARG  49           HD3      ARG  49 -10.410  -2.007  -6.923
  348    HE   ARG  49           HE       ARG  49 -12.987  -0.935  -5.971
  349   HH11  ARG  49          HH11      ARG  49 -10.221  -0.804  -8.127
  350   HH12  ARG  49          HH12      ARG  49 -10.860   0.506  -9.065
  351   HH21  ARG  49          HH21      ARG  49 -13.816   0.794  -7.200
  352   HH22  ARG  49          HH22      ARG  49 -12.902   1.422  -8.533
  353    H    AAR  50           HN       AAR  50  -9.835  -3.729  -3.898
  354    HA   AAR  50           HA       AAR  50  -8.479  -5.513  -4.131
  355    HB2  AAR  50           HB2      AAR  50  -7.703  -6.365  -1.966
  356    HB3  AAR  50           HB3      AAR  50  -7.803  -4.624  -2.042
  357    HG2  AAR  50           HG2      AAR  50  -9.968  -6.281  -0.785
  358    HG3  AAR  50           HG3      AAR  50  -8.529  -5.788   0.107
  359    HD2  AAR  50           HD2      AAR  50  -9.087  -3.418  -0.575
  360    HD3  AAR  50           HD3      AAR  50 -10.640  -4.040  -1.124
  361    HE   AAR  50           HE       AAR  50  -9.751  -3.671   1.606
  362   HH11  AAR  50          HH21      AAR  50 -11.379  -3.870   3.219
  363   HH12  AAR  50          HH22      AAR  50 -12.894  -4.618   2.827
  364   HH21  AAR  50          HH11      AAR  50 -12.059  -5.267  -0.517
  365   HH22  AAR  50          HH12      AAR  50 -13.280  -5.415   0.704
  366   HNT1  AAR  50          HNT1      AAR  50  -9.738  -6.849  -5.494
  367   HNT2  AAR  50          HNT2      AAR  50 -10.372  -8.357  -4.895
  Start of MODEL    8
    1    H1   SER   1           HT1      SER   1  10.327  -3.941   3.255
    2    H2   SER   1           HT2      SER   1  11.646  -3.537   2.399
    3    H3   SER   1           HT3      SER   1  11.517  -5.026   3.033
    4    HA   SER   1           HA       SER   1   9.777  -3.937   0.955
    5    HB2  SER   1           HB2      SER   1  10.924  -5.588  -0.523
    6    HB3  SER   1           HB3      SER   1  12.009  -4.333   0.071
    7    HG   SER   1           HG       SER   1  11.821  -7.040   0.851
    8    H    TYR   2           HN       TYR   2   7.860  -4.660   1.913
    9    HA   TYR   2           HA       TYR   2   7.356  -7.232   2.864
   10    HB2  TYR   2           HB2      TYR   2   5.786  -5.341   3.079
   11    HB3  TYR   2           HB3      TYR   2   5.490  -5.390   1.347
   12    HD1  TYR   2           HD1      TYR   2   4.105  -7.132   0.369
   13    HD2  TYR   2           HD2      TYR   2   4.839  -7.026   4.558
   14    HE1  TYR   2           HE1      TYR   2   2.258  -8.711   0.727
   15    HE2  TYR   2           HE2      TYR   2   2.990  -8.604   4.926
   16    HH   TYR   2           HH       TYR   2   0.993  -9.392   3.847
   17    H    GLN   3           HN       GLN   3   7.356  -5.956  -0.420
   18    HA   GLN   3           HA       GLN   3   7.643  -8.605  -1.519
   19    HB2  GLN   3           HB2      GLN   3   5.170  -8.289  -1.239
   20    HB3  GLN   3           HB3      GLN   3   5.270  -6.911  -2.324
   21    HG2  GLN   3           HG2      GLN   3   4.504  -8.722  -3.610
   22    HG3  GLN   3           HG3      GLN   3   6.189  -8.476  -4.057
   23   HE21  GLN   3          HE21      GLN   3   6.337 -10.579  -4.826
   24   HE22  GLN   3          HE22      GLN   3   6.441 -11.940  -3.766
   25    H    ARG   4           HN       ARG   4   9.654  -7.608  -2.088
   26    HA   ARG   4           HA       ARG   4  11.089  -6.908  -3.695
   27    HB2  ARG   4           HB2      ARG   4   9.510  -7.877  -5.302
   28    HB3  ARG   4           HB3      ARG   4   8.600  -6.375  -5.320
   29    HG2  ARG   4           HG2      ARG   4  10.680  -5.252  -6.174
   30    HG3  ARG   4           HG3      ARG   4  11.374  -6.862  -6.371
   31    HD2  ARG   4           HD2      ARG   4   9.554  -7.475  -7.872
   32    HD3  ARG   4           HD3      ARG   4   8.815  -5.889  -7.640
   33    HE   ARG   4           HE       ARG   4  11.478  -5.648  -8.600
   34   HH11  ARG   4          HH11      ARG   4   8.238  -6.492  -9.620
   35   HH12  ARG   4          HH12      ARG   4   8.458  -5.918 -11.240
   36   HH21  ARG   4          HH21      ARG   4  11.784  -4.911 -10.751
   37   HH22  ARG   4          HH22      ARG   4  10.478  -5.033 -11.889
   38    H    ILE   5           HN       ILE   5  12.122  -5.033  -4.326
   39    HA   ILE   5           HA       ILE   5  10.960  -2.511  -3.394
   40    HB   ILE   5           HB       ILE   5  13.772  -3.019  -4.397
   41   HG12  ILE   5          HG12      ILE   5  12.779  -2.894  -1.539
   42   HG13  ILE   5          HG11      ILE   5  13.282  -4.360  -2.372
   43   HG21  ILE   5          HG21      ILE   5  14.287  -0.899  -3.282
   44   HG22  ILE   5          HG22      ILE   5  12.593  -0.730  -2.825
   45   HG23  ILE   5          HG23      ILE   5  13.053  -0.693  -4.526
   46   HD11  ILE   5          HD11      ILE   5  15.035  -1.997  -1.742
   47   HD12  ILE   5          HD12      ILE   5  15.542  -3.466  -2.574
   48   HD13  ILE   5          HD13      ILE   5  15.020  -3.541  -0.891
   49    H    ARG   6           HN       ARG   6   9.705  -1.636  -4.940
   50    HA   ARG   6           HA       ARG   6  10.046  -2.458  -7.668
   51    HB2  ARG   6           HB2      ARG   6   7.997  -0.509  -6.651
   52    HB3  ARG   6           HB3      ARG   6   7.899  -1.619  -8.004
   53    HG2  ARG   6           HG2      ARG   6   8.050  -2.520  -5.154
   54    HG3  ARG   6           HG3      ARG   6   6.542  -2.272  -6.030
   55    HD2  ARG   6           HD2      ARG   6   7.373  -3.864  -7.747
   56    HD3  ARG   6           HD3      ARG   6   8.748  -4.187  -6.702
   57    HE   ARG   6           HE       ARG   6   7.136  -5.037  -5.047
   58   HH11  ARG   6          HH11      ARG   6   6.109  -4.766  -8.395
   59   HH12  ARG   6          HH12      ARG   6   4.945  -6.046  -8.268
   60   HH21  ARG   6          HH21      ARG   6   5.600  -6.719  -4.901
   61   HH22  ARG   6          HH22      ARG   6   4.651  -7.145  -6.288
   62    H    SER   7           HN       SER   7   9.312   0.779  -6.387
   63    HA   SER   7           HA       SER   7  11.117   1.870  -8.435
   64    HB2  SER   7           HB2      SER   7   8.775   2.427  -8.882
   65    HB3  SER   7           HB3      SER   7   8.603   3.085  -7.256
   66    HG   SER   7           HG       SER   7  10.189   4.084  -9.386
   67    H    ASP   8           HN       ASP   8   9.555   3.268  -5.573
   68    HA   ASP   8           HA       ASP   8  12.010   4.554  -4.794
   69    HB2  ASP   8           HB2      ASP   8   9.315   4.442  -3.429
   70    HB3  ASP   8           HB3      ASP   8  10.674   5.413  -2.882
   71    H    HIS   9           HN       HIS   9  12.345   4.457  -2.221
   72    HA   HIS   9           HA       HIS   9  13.515   1.993  -1.717
   73    HB2  HIS   9           HB2      HIS   9  12.767   4.316   0.032
   74    HB3  HIS   9           HB3      HIS   9  13.488   2.870   0.710
   75    HD1  HIS   9           HD1      HIS   9  14.394   6.060  -0.583
   76    HD2  HIS   9           HD2      HIS   9  16.083   2.266  -0.707
   77    HE1  HIS   9           HE1      HIS   9  16.820   6.421  -1.116
   78    HE2  HIS   9           HE2      HIS   9  17.787   4.108  -1.339
   79    H    ASP  10           HN       ASP  10  10.374   3.288  -0.687
   80    HA   ASP  10           HA       ASP  10   9.754   0.592   0.332
   81    HB2  ASP  10           HB2      ASP  10   9.699   3.059   1.727
   82    HB3  ASP  10           HB3      ASP  10   8.036   2.491   1.566
   83    H    SER  11           HN       SER  11   9.117   2.204  -2.284
   84    HA   SER  11           HA       SER  11   6.225   2.012  -2.178
   85    HB2  SER  11           HB2      SER  11   7.310   3.841  -3.476
   86    HB3  SER  11           HB3      SER  11   7.955   2.627  -4.565
   87    HG   SER  11           HG       SER  11   5.264   3.359  -4.137
   88    H    HIS  12           HN       HIS  12   5.711  -0.057  -1.892
   89    HA   HIS  12           HA       HIS  12   6.233  -1.920  -4.086
   90    HB2  HIS  12           HB2      HIS  12   6.590  -3.750  -2.358
   91    HB3  HIS  12           HB3      HIS  12   7.925  -2.632  -2.584
   92    HD1  HIS  12           HD1      HIS  12   5.252  -3.583  -0.083
   93    HD2  HIS  12           HD2      HIS  12   8.579  -1.115  -0.336
   94    HE1  HIS  12           HE1      HIS  12   5.723  -2.790   2.273
   95    HE2  HIS  12           HE2      HIS  12   7.617  -1.151   2.042
   96    H    SER  13           HN       SER  13   4.914  -4.038  -3.490
   97    HA   SER  13           HA       SER  13   2.225  -3.193  -2.898
   98    HB2  SER  13           HB2      SER  13   1.703  -5.623  -3.352
   99    HB3  SER  13           HB3      SER  13   2.469  -4.769  -4.691
  100    HG   SER  13           HG       SER  13   3.273  -6.984  -3.764
  101    H    CYS  14           HN       CYS  14   0.924  -4.196  -1.301
  102    HA   CYS  14           HA       CYS  14   2.294  -5.689   0.798
  103    HB2  CYS  14           HB2      CYS  14   1.187  -4.310   2.535
  104    HB3  CYS  14           HB3      CYS  14   2.392  -3.425   1.614
  105    H    ALA  15           HN       ALA  15   0.593  -6.539   2.373
  106    HA   ALA  15           HA       ALA  15  -1.121  -7.993   2.666
  107    HB1  ALA  15           HB1      ALA  15  -2.573  -5.894   1.073
  108    HB2  ALA  15           HB2      ALA  15  -2.423  -5.984   2.830
  109    HB3  ALA  15           HB3      ALA  15  -3.359  -7.205   1.955
  110    H    ASN  16           HN       ASN  16   0.528  -8.240   0.153
  111    HA   ASN  16           HA       ASN  16   0.659  -9.439  -1.757
  112    HB2  ASN  16           HB2      ASN  16  -1.561 -10.911  -0.369
  113    HB3  ASN  16           HB3      ASN  16  -0.982 -11.398  -1.958
  114   HD21  ASN  16          HD21      ASN  16  -0.227 -11.176   1.426
  115   HD22  ASN  16          HD22      ASN  16   1.196 -12.158   1.376
  116    H    ASN  17           HN       ASN  17   0.179  -7.491  -2.737
  117    HA   ASN  17           HA       ASN  17  -0.658  -6.531  -4.641
  118    HB2  ASN  17           HB2      ASN  17  -1.433  -8.225  -5.897
  119    HB3  ASN  17           HB3      ASN  17  -2.162  -9.044  -4.531
  120   HD21  ASN  17          HD21      ASN  17  -4.205  -8.384  -3.802
  121   HD22  ASN  17          HD22      ASN  17  -5.326  -7.545  -4.831
  122    H    ARG  18           HN       ARG  18  -2.725  -7.345  -2.002
  123    HA   ARG  18           HA       ARG  18  -4.959  -5.784  -2.690
  124    HB2  ARG  18           HB2      ARG  18  -4.035  -6.847  -0.027
  125    HB3  ARG  18           HB3      ARG  18  -5.622  -6.156  -0.327
  126    HG2  ARG  18           HG2      ARG  18  -6.233  -7.950  -1.706
  127    HG3  ARG  18           HG3      ARG  18  -4.562  -8.510  -1.842
  128    HD2  ARG  18           HD2      ARG  18  -4.678  -8.743   0.719
  129    HD3  ARG  18           HD3      ARG  18  -6.432  -8.700   0.486
  130    HE   ARG  18           HE       ARG  18  -4.640 -10.648  -0.778
  131   HH11  ARG  18          HH11      ARG  18  -7.647  -9.857   0.828
  132   HH12  ARG  18          HH12      ARG  18  -8.325 -11.437   0.625
  133   HH21  ARG  18          HH21      ARG  18  -5.546 -12.741  -1.064
  134   HH22  ARG  18          HH22      ARG  18  -7.131 -13.076  -0.450
  135    H    GLY  19           HN       GLY  19  -1.960  -4.775  -1.876
  136    HA2  GLY  19           HA2      GLY  19  -2.899  -2.148  -1.021
  137    HA3  GLY  19           HA1      GLY  19  -1.826  -3.023   0.045
  138    H    TRP  20           HN       TRP  20  -1.488  -0.487  -1.614
  139    HA   TRP  20           HA       TRP  20   1.207  -1.288  -2.455
  140    HB2  TRP  20           HB2      TRP  20  -0.282  -0.834  -4.491
  141    HB3  TRP  20           HB3      TRP  20  -0.300   0.842  -3.957
  142    HD1  TRP  20           HD1      TRP  20   1.931   2.256  -4.246
  143    HE1  TRP  20           HE1      TRP  20   4.107   1.854  -5.496
  144    HE3  TRP  20           HE3      TRP  20   1.371  -2.731  -5.211
  145    HZ2  TRP  20           HZ2      TRP  20   5.442  -0.311  -6.721
  146    HZ3  TRP  20           HZ3      TRP  20   3.175  -3.893  -6.418
  147    HH2  TRP  20           HH2      TRP  20   5.164  -2.710  -7.164
  148    H    CYS  21           HN       CYS  21   2.780   0.043  -1.877
  149    HA   CYS  21           HA       CYS  21   2.225   2.062   0.087
  150    HB2  CYS  21           HB2      CYS  21   4.859   1.378  -1.188
  151    HB3  CYS  21           HB3      CYS  21   4.586   2.108   0.384
  152    H    ARG  22           HN       ARG  22   1.202   3.762  -0.904
  153    HA   ARG  22           HA       ARG  22   2.769   5.198  -2.952
  154    HB2  ARG  22           HB2      ARG  22  -0.218   5.179  -2.552
  155    HB3  ARG  22           HB3      ARG  22   0.625   6.148  -3.740
  156    HG2  ARG  22           HG2      ARG  22   1.417   4.052  -4.789
  157    HG3  ARG  22           HG3      ARG  22   0.423   3.153  -3.641
  158    HD2  ARG  22           HD2      ARG  22  -1.059   5.247  -4.994
  159    HD3  ARG  22           HD3      ARG  22  -0.362   4.077  -6.119
  160    HE   ARG  22           HE       ARG  22  -2.435   3.593  -4.136
  161   HH11  ARG  22          HH11      ARG  22  -0.259   2.330  -6.567
  162   HH12  ARG  22          HH12      ARG  22  -1.079   0.806  -6.692
  163   HH21  ARG  22          HH21      ARG  22  -3.504   1.566  -4.284
  164   HH22  ARG  22          HH22      ARG  22  -2.917   0.371  -5.396
  165    HA   PRO  23           HA       PRO  23   2.819   8.679  -0.198
  166    HB2  PRO  23           HB2      PRO  23   2.178  10.518  -2.390
  167    HB3  PRO  23           HB3      PRO  23   3.665  10.376  -1.461
  168    HG2  PRO  23           HG2      PRO  23   3.467   9.646  -4.066
  169    HG3  PRO  23           HG3      PRO  23   4.593   8.883  -2.934
  170    HD2  PRO  23           HD2      PRO  23   1.981   7.891  -3.976
  171    HD3  PRO  23           HD3      PRO  23   3.458   6.988  -3.581
  172    H    THR  24           HN       THR  24   0.380   9.033  -2.760
  173    HA   THR  24           HA       THR  24  -1.594   9.797  -0.729
  174    HB   THR  24           HB       THR  24  -1.409  11.089  -3.445
  175    HG1  THR  24           HG1      THR  24  -0.206  11.766  -0.979
  176   HG21  THR  24          HG21      THR  24  -2.896  11.834  -0.930
  177   HG22  THR  24          HG22      THR  24  -3.610  11.157  -2.393
  178   HG23  THR  24          HG23      THR  24  -2.885  12.765  -2.427
  179    H    CYS  25           HN       CYS  25  -3.238   8.443  -0.781
  180    HA   CYS  25           HA       CYS  25  -3.508   6.411  -2.719
  181    HB2  CYS  25           HB2      CYS  25  -5.539   7.331  -0.671
  182    HB3  CYS  25           HB3      CYS  25  -5.473   5.752  -1.449
  183    H    PHE  26           HN       PHE  26  -5.138   6.035  -4.227
  184    HA   PHE  26           HA       PHE  26  -6.172   8.474  -5.452
  185    HB2  PHE  26           HB2      PHE  26  -6.058   5.613  -6.420
  186    HB3  PHE  26           HB3      PHE  26  -6.691   6.961  -7.363
  187    HD1  PHE  26           HD1      PHE  26  -3.763   5.155  -6.360
  188    HD2  PHE  26           HD2      PHE  26  -5.140   8.845  -7.962
  189    HE1  PHE  26           HE1      PHE  26  -1.497   5.634  -7.196
  190    HE2  PHE  26           HE2      PHE  26  -2.880   9.331  -8.798
  191    HZ   PHE  26           HZ       PHE  26  -1.054   7.726  -8.417
  192    H    SER  27           HN       SER  27  -8.413   8.132  -6.576
  193    HA   SER  27           HA       SER  27 -10.239   7.850  -4.364
  194    HB2  SER  27           HB2      SER  27 -10.754   8.656  -7.233
  195    HB3  SER  27           HB3      SER  27 -11.896   8.811  -5.898
  196    HG   SER  27           HG       SER  27  -9.457  10.186  -6.313
  197    H    HIS  28           HN       HIS  28  -9.180   5.421  -4.997
  198    HA   HIS  28           HA       HIS  28 -11.586   3.897  -5.287
  199    HB2  HIS  28           HB2      HIS  28 -10.758   2.421  -7.096
  200    HB3  HIS  28           HB3      HIS  28 -11.021   4.066  -7.659
  201    HD1  HIS  28           HD1      HIS  28  -8.676   1.422  -7.944
  202    HD2  HIS  28           HD2      HIS  28  -8.364   5.550  -7.603
  203    HE1  HIS  28           HE1      HIS  28  -6.397   2.001  -8.825
  204    HE2  HIS  28           HE2      HIS  28  -6.317   4.517  -8.799
  205    H    GLU  29           HN       GLU  29  -9.521   4.551  -3.376
  206    HA   GLU  29           HA       GLU  29  -8.548   1.890  -2.688
  207    HB2  GLU  29           HB2      GLU  29  -6.732   4.307  -2.827
  208    HB3  GLU  29           HB3      GLU  29  -6.281   2.685  -2.318
  209    HG2  GLU  29           HG2      GLU  29  -6.535   1.829  -4.504
  210    HG3  GLU  29           HG3      GLU  29  -7.330   3.297  -5.061
  211    H    TYR  30           HN       TYR  30  -7.326   2.117  -0.491
  212    HA   TYR  30           HA       TYR  30  -8.263   4.302   1.169
  213    HB2  TYR  30           HB2      TYR  30  -9.304   2.851   2.832
  214    HB3  TYR  30           HB3      TYR  30 -10.107   2.662   1.280
  215    HD1  TYR  30           HD1      TYR  30  -7.964   1.066   3.775
  216    HD2  TYR  30           HD2      TYR  30  -9.951   0.563   0.042
  217    HE1  TYR  30           HE1      TYR  30  -7.635  -1.351   3.942
  218    HE2  TYR  30           HE2      TYR  30  -9.643  -1.882   0.193
  219    HH   TYR  30           HH       TYR  30  -8.544  -3.365   3.133
  220    H    THR  31           HN       THR  31  -7.175   4.345   3.250
  221    HA   THR  31           HA       THR  31  -4.459   3.390   2.981
  222    HB   THR  31           HB       THR  31  -5.696   5.039   5.193
  223    HG1  THR  31           HG1      THR  31  -4.895   5.645   2.633
  224   HG21  THR  31          HG21      THR  31  -3.646   4.001   5.930
  225   HG22  THR  31          HG22      THR  31  -3.334   5.709   5.613
  226   HG23  THR  31          HG23      THR  31  -2.822   4.486   4.449
  227    H    ASP  32           HN       ASP  32  -4.083   1.345   3.523
  228    HA   ASP  32           HA       ASP  32  -5.303   0.160   5.883
  229    HB2  ASP  32           HB2      ASP  32  -4.840  -1.181   3.819
  230    HB3  ASP  32           HB3      ASP  32  -3.141  -0.943   4.094
  231    H    TRP  33           HN       TRP  33  -4.496   0.602   7.812
  232    HA   TRP  33           HA       TRP  33  -1.942   1.874   8.031
  233    HB2  TRP  33           HB2      TRP  33  -4.153   1.278   9.971
  234    HB3  TRP  33           HB3      TRP  33  -2.614   1.961  10.491
  235    HD1  TRP  33           HD1      TRP  33  -5.875   2.957   8.906
  236    HE1  TRP  33           HE1      TRP  33  -5.822   5.449   8.296
  237    HE3  TRP  33           HE3      TRP  33  -0.911   3.837   9.642
  238    HZ2  TRP  33           HZ2      TRP  33  -3.906   7.524   8.125
  239    HZ3  TRP  33           HZ3      TRP  33  -0.035   6.099   9.211
  240    HH2  TRP  33           HH2      TRP  33  -1.501   7.896   8.464
  241    H    PHE  34           HN       PHE  34  -3.114  -1.280   8.253
  242    HA   PHE  34           HA       PHE  34  -1.193  -2.392  10.027
  243    HB2  PHE  34           HB2      PHE  34  -3.329  -3.507   9.355
  244    HB3  PHE  34           HB3      PHE  34  -2.674  -3.708   7.729
  245    HD1  PHE  34           HD1      PHE  34  -1.306  -5.525   7.200
  246    HD2  PHE  34           HD2      PHE  34  -2.194  -4.662  11.269
  247    HE1  PHE  34           HE1      PHE  34  -0.320  -7.679   7.867
  248    HE2  PHE  34           HE2      PHE  34  -1.208  -6.815  11.947
  249    HZ   PHE  34           HZ       PHE  34  -0.270  -8.325  10.241
  250    H    ASN  35           HN       ASN  35  -1.482  -2.545   6.489
  251    HA   ASN  35           HA       ASN  35   1.251  -3.329   6.196
  252    HB2  ASN  35           HB2      ASN  35  -0.910  -2.572   4.255
  253    HB3  ASN  35           HB3      ASN  35   0.737  -2.883   3.729
  254   HD21  ASN  35          HD21      ASN  35  -2.175  -4.229   4.923
  255   HD22  ASN  35          HD22      ASN  35  -1.745  -5.897   4.743
  256    H    ASN  36           HN       ASN  36  -0.258  -0.346   6.726
  257    HA   ASN  36           HA       ASN  36   1.588   1.394   5.542
  258    HB2  ASN  36           HB2      ASN  36  -0.229   1.541   7.829
  259    HB3  ASN  36           HB3      ASN  36   1.223   2.501   8.048
  260   HD21  ASN  36          HD21      ASN  36   0.764   4.523   7.619
  261   HD22  ASN  36          HD22      ASN  36  -0.140   5.097   6.265
  262    H    ASP  37           HN       ASP  37   1.709  -0.606   8.400
  263    HA   ASP  37           HA       ASP  37   4.107   0.324   9.510
  264    HB2  ASP  37           HB2      ASP  37   2.527  -1.117  10.710
  265    HB3  ASP  37           HB3      ASP  37   2.915  -2.438   9.623
  266    H    VAL  38           HN       VAL  38   3.466  -2.214   7.102
  267    HA   VAL  38           HA       VAL  38   6.231  -2.934   6.858
  268    HB   VAL  38           HB       VAL  38   5.695  -4.288   5.011
  269   HG11  VAL  38          HG11      VAL  38   4.749  -5.168   7.020
  270   HG12  VAL  38          HG12      VAL  38   3.645  -5.502   5.686
  271   HG13  VAL  38          HG13      VAL  38   3.292  -4.197   6.818
  272   HG21  VAL  38          HG21      VAL  38   3.090  -2.810   4.618
  273   HG22  VAL  38          HG22      VAL  38   3.715  -4.139   3.631
  274   HG23  VAL  38          HG23      VAL  38   4.548  -2.581   3.647
  275    H    CYS  39           HN       CYS  39   4.118  -0.705   5.200
  276    HA   CYS  39           HA       CYS  39   6.115   0.201   3.353
  277    HB2  CYS  39           HB2      CYS  39   3.427   1.372   4.106
  278    HB3  CYS  39           HB3      CYS  39   4.399   1.848   2.720
  279    H    GLY  40           HN       GLY  40   7.643   0.624   5.280
  280    HA2  GLY  40           HA2      GLY  40   7.073   2.846   7.001
  281    HA3  GLY  40           HA1      GLY  40   8.615   2.018   6.851
  282    H    SER  41           HN       SER  41   6.508   4.266   5.126
  283    HA   SER  41           HA       SER  41   8.180   6.384   4.702
  284    HB2  SER  41           HB2      SER  41   9.744   4.879   3.534
  285    HB3  SER  41           HB3      SER  41   8.452   4.361   2.458
  286    HG   SER  41           HG       SER  41   8.617   7.032   2.403
  287    H    TYR  42           HN       TYR  42   5.704   4.285   3.725
  288    HA   TYR  42           HA       TYR  42   4.242   6.418   2.336
  289    HB2  TYR  42           HB2      TYR  42   4.822   3.607   1.432
  290    HB3  TYR  42           HB3      TYR  42   3.440   4.502   0.821
  291    HD1  TYR  42           HD1      TYR  42   4.147   7.016   0.136
  292    HD2  TYR  42           HD2      TYR  42   6.678   3.606   0.038
  293    HE1  TYR  42           HE1      TYR  42   5.552   8.118  -1.523
  294    HE2  TYR  42           HE2      TYR  42   8.110   4.703  -1.602
  295    HH   TYR  42           HH       TYR  42   7.847   6.545  -3.369
  296    H    ARG  43           HN       ARG  43   2.029   5.045   1.748
  297    HA   ARG  43           HA       ARG  43   1.122   3.772   4.220
  298    HB2  ARG  43           HB2      ARG  43  -0.981   5.029   4.094
  299    HB3  ARG  43           HB3      ARG  43   0.387   6.116   4.260
  300    HG2  ARG  43           HG2      ARG  43   0.203   6.128   1.611
  301    HG3  ARG  43           HG3      ARG  43  -1.472   5.734   2.001
  302    HD2  ARG  43           HD2      ARG  43  -1.276   8.108   1.818
  303    HD3  ARG  43           HD3      ARG  43  -1.535   7.692   3.509
  304    HE   ARG  43           HE       ARG  43   1.237   7.934   2.871
  305   HH11  ARG  43          HH11      ARG  43  -1.641   9.780   3.617
  306   HH12  ARG  43          HH12      ARG  43  -0.760  11.141   4.239
  307   HH21  ARG  43          HH21      ARG  43   2.396   9.732   3.677
  308   HH22  ARG  43          HH22      ARG  43   1.532  11.111   4.278
  309    H    CYS  44           HN       CYS  44  -0.444   2.118   3.887
  310    HA   CYS  44           HA       CYS  44  -0.092   0.956   1.269
  311    HB2  CYS  44           HB2      CYS  44   0.101  -0.526   3.114
  312    HB3  CYS  44           HB3      CYS  44  -1.440  -0.059   3.775
  313    H    CYS  45           HN       CYS  45  -1.188   2.212  -0.107
  314    HA   CYS  45           HA       CYS  45  -3.957   2.858   0.239
  315    HB2  CYS  45           HB2      CYS  45  -2.164   3.046  -2.189
  316    HB3  CYS  45           HB3      CYS  45  -3.762   3.775  -2.037
  317    H    ARG  46           HN       ARG  46  -4.725   0.745   0.626
  318    HA   ARG  46           HA       ARG  46  -4.528  -1.354  -1.268
  319    HB2  ARG  46           HB2      ARG  46  -6.500  -0.878   0.968
  320    HB3  ARG  46           HB3      ARG  46  -6.399  -2.364   0.037
  321    HG2  ARG  46           HG2      ARG  46  -4.047  -2.602   0.824
  322    HG3  ARG  46           HG3      ARG  46  -4.328  -1.224   1.889
  323    HD2  ARG  46           HD2      ARG  46  -4.712  -3.117   3.227
  324    HD3  ARG  46           HD3      ARG  46  -6.315  -2.526   2.792
  325    HE   ARG  46           HE       ARG  46  -5.773  -4.394   0.902
  326   HH11  ARG  46          HH11      ARG  46  -5.720  -4.366   4.398
  327   HH12  ARG  46          HH12      ARG  46  -6.277  -6.001   4.557
  328   HH21  ARG  46          HH21      ARG  46  -6.544  -6.566   1.118
  329   HH22  ARG  46          HH22      ARG  46  -6.730  -7.254   2.694
  330    HA   PRO  47           HA       PRO  47  -7.576  -0.032  -4.280
  331    HB2  PRO  47           HB2      PRO  47  -7.839  -2.988  -4.523
  332    HB3  PRO  47           HB3      PRO  47  -7.591  -1.779  -5.785
  333    HG2  PRO  47           HG2      PRO  47  -5.604  -3.411  -4.946
  334    HG3  PRO  47           HG3      PRO  47  -5.309  -1.748  -5.494
  335    HD2  PRO  47           HD2      PRO  47  -5.276  -2.868  -2.755
  336    HD3  PRO  47           HD3      PRO  47  -4.400  -1.476  -3.417
  337    H    GLY  48           HN       GLY  48  -9.640   0.460  -3.716
  338    HA2  GLY  48           HA2      GLY  48 -10.868  -0.600  -1.395
  339    HA3  GLY  48           HA1      GLY  48 -11.658   0.410  -2.594
  340    H    ARG  49           HN       ARG  49 -10.340  -2.199  -4.078
  341    HA   ARG  49           HA       ARG  49 -12.622  -3.957  -3.704
  342    HB2  ARG  49           HB2      ARG  49 -12.763  -4.261  -6.196
  343    HB3  ARG  49           HB3      ARG  49 -13.261  -2.671  -5.650
  344    HG2  ARG  49           HG2      ARG  49 -10.473  -3.165  -6.598
  345    HG3  ARG  49           HG3      ARG  49 -11.786  -2.849  -7.729
  346    HD2  ARG  49           HD2      ARG  49 -11.229  -1.015  -5.421
  347    HD3  ARG  49           HD3      ARG  49 -10.344  -0.871  -6.936
  348    HE   ARG  49           HE       ARG  49 -12.706  -0.679  -7.936
  349   HH11  ARG  49          HH11      ARG  49 -11.816   0.523  -4.768
  350   HH12  ARG  49          HH12      ARG  49 -12.948   1.833  -4.801
  351   HH21  ARG  49          HH21      ARG  49 -14.151   1.085  -8.010
  352   HH22  ARG  49          HH22      ARG  49 -14.256   2.172  -6.659
  353    H    AAR  50           HN       AAR  50  -9.907  -3.983  -2.810
  354    HA   AAR  50           HA       AAR  50  -8.153  -5.461  -4.315
  355    HB2  AAR  50           HB2      AAR  50  -6.928  -5.898  -2.307
  356    HB3  AAR  50           HB3      AAR  50  -7.553  -4.263  -2.247
  357    HG2  AAR  50           HG2      AAR  50  -8.693  -6.637  -0.782
  358    HG3  AAR  50           HG3      AAR  50  -7.669  -5.386  -0.083
  359    HD2  AAR  50           HD2      AAR  50  -9.466  -3.741  -0.842
  360    HD3  AAR  50           HD3      AAR  50 -10.485  -5.155  -1.096
  361    HE   AAR  50           HE       AAR  50  -9.411  -4.224   1.487
  362   HH11  AAR  50          HH21      AAR  50 -10.699  -4.772   3.303
  363   HH12  AAR  50          HH22      AAR  50 -12.054  -5.840   3.112
  364   HH21  AAR  50          HH11      AAR  50 -11.615  -6.271  -0.338
  365   HH22  AAR  50          HH12      AAR  50 -12.579  -6.681   1.041
  366   HNT1  AAR  50          HNT1      AAR  50  -8.377  -7.394  -5.209
  367   HNT2  AAR  50          HNT2      AAR  50  -9.218  -8.750  -4.508
  Start of MODEL    9
    1    H1   SER   1           HT1      SER   1  10.973  -4.691   2.896
    2    H2   SER   1           HT2      SER   1   9.631  -3.792   2.762
    3    H3   SER   1           HT3      SER   1  11.013  -3.280   2.091
    4    HA   SER   1           HA       SER   1   9.543  -4.127   0.407
    5    HB2  SER   1           HB2      SER   1  11.186  -5.930  -0.432
    6    HB3  SER   1           HB3      SER   1  11.821  -4.306  -0.170
    7    HG   SER   1           HG       SER   1  13.186  -5.198   1.141
    8    H    TYR   2           HN       TYR   2   7.819  -4.906   2.144
    9    HA   TYR   2           HA       TYR   2   7.547  -7.533   2.917
   10    HB2  TYR   2           HB2      TYR   2   5.969  -5.767   3.534
   11    HB3  TYR   2           HB3      TYR   2   5.404  -5.666   1.874
   12    HD1  TYR   2           HD1      TYR   2   3.669  -7.045   1.115
   13    HD2  TYR   2           HD2      TYR   2   5.546  -7.914   4.829
   14    HE1  TYR   2           HE1      TYR   2   1.927  -8.710   1.595
   15    HE2  TYR   2           HE2      TYR   2   3.810  -9.586   5.321
   16    HH   TYR   2           HH       TYR   2   1.511 -10.103   4.675
   17    H    GLN   3           HN       GLN   3   6.966  -6.128  -0.250
   18    HA   GLN   3           HA       GLN   3   7.136  -8.785  -1.412
   19    HB2  GLN   3           HB2      GLN   3   4.918  -6.819  -1.991
   20    HB3  GLN   3           HB3      GLN   3   5.307  -8.168  -3.044
   21    HG2  GLN   3           HG2      GLN   3   4.838  -9.719  -1.193
   22    HG3  GLN   3           HG3      GLN   3   4.380  -8.349  -0.186
   23   HE21  GLN   3          HE21      GLN   3   3.526 -10.327  -2.897
   24   HE22  GLN   3          HE22      GLN   3   1.879  -9.822  -3.017
   25    H    ARG   4           HN       ARG   4   9.290  -7.697  -1.629
   26    HA   ARG   4           HA       ARG   4  10.889  -7.052  -3.117
   27    HB2  ARG   4           HB2      ARG   4   9.409  -8.198  -4.765
   28    HB3  ARG   4           HB3      ARG   4   8.606  -6.668  -5.055
   29    HG2  ARG   4           HG2      ARG   4  11.128  -5.937  -5.562
   30    HG3  ARG   4           HG3      ARG   4  11.217  -7.645  -5.983
   31    HD2  ARG   4           HD2      ARG   4   9.442  -5.517  -7.142
   32    HD3  ARG   4           HD3      ARG   4  10.611  -6.542  -7.977
   33    HE   ARG   4           HE       ARG   4   8.570  -8.093  -6.757
   34   HH11  ARG   4          HH11      ARG   4   9.163  -6.018  -9.515
   35   HH12  ARG   4          HH12      ARG   4   7.993  -6.808 -10.519
   36   HH21  ARG   4          HH21      ARG   4   7.031  -9.137  -8.078
   37   HH22  ARG   4          HH22      ARG   4   6.778  -8.583  -9.702
   38    H    ILE   5           HN       ILE   5  11.727  -5.136  -4.247
   39    HA   ILE   5           HA       ILE   5  10.317  -2.638  -3.626
   40    HB   ILE   5           HB       ILE   5  13.171  -3.230  -4.429
   41   HG12  ILE   5          HG12      ILE   5  12.007  -1.925  -1.961
   42   HG13  ILE   5          HG11      ILE   5  12.592  -3.582  -2.060
   43   HG21  ILE   5          HG21      ILE   5  13.588  -0.803  -4.277
   44   HG22  ILE   5          HG22      ILE   5  11.847  -0.542  -4.146
   45   HG23  ILE   5          HG23      ILE   5  12.526  -1.243  -5.615
   46   HD11  ILE   5          HD11      ILE   5  14.253  -1.100  -2.429
   47   HD12  ILE   5          HD12      ILE   5  14.840  -2.760  -2.524
   48   HD13  ILE   5          HD13      ILE   5  14.220  -2.129  -0.999
   49    H    ARG   6           HN       ARG   6   9.106  -1.808  -5.263
   50    HA   ARG   6           HA       ARG   6   9.757  -2.706  -7.983
   51    HB2  ARG   6           HB2      ARG   6   7.145  -1.841  -6.780
   52    HB3  ARG   6           HB3      ARG   6   7.377  -1.954  -8.511
   53    HG2  ARG   6           HG2      ARG   6   6.475  -3.988  -8.123
   54    HG3  ARG   6           HG3      ARG   6   8.172  -4.387  -7.876
   55    HD2  ARG   6           HD2      ARG   6   7.939  -4.212  -5.506
   56    HD3  ARG   6           HD3      ARG   6   6.300  -3.579  -5.661
   57    HE   ARG   6           HE       ARG   6   7.015  -6.246  -5.451
   58   HH11  ARG   6          HH11      ARG   6   4.919  -4.295  -7.494
   59   HH12  ARG   6          HH12      ARG   6   3.825  -5.596  -7.815
   60   HH21  ARG   6          HH21      ARG   6   5.564  -7.944  -5.893
   61   HH22  ARG   6          HH22      ARG   6   4.191  -7.665  -6.920
   62    H    SER   7           HN       SER   7   7.929   0.125  -6.807
   63    HA   SER   7           HA       SER   7   9.050   1.646  -9.001
   64    HB2  SER   7           HB2      SER   7   6.609   1.723  -8.357
   65    HB3  SER   7           HB3      SER   7   7.090   2.588  -6.898
   66    HG   SER   7           HG       SER   7   7.482   4.337  -8.042
   67    H    ASP   8           HN       ASP   8   9.006   1.769  -5.480
   68    HA   ASP   8           HA       ASP   8  11.464   3.359  -5.554
   69    HB2  ASP   8           HB2      ASP   8   9.179   3.871  -3.631
   70    HB3  ASP   8           HB3      ASP   8  10.746   4.666  -3.606
   71    H    HIS   9           HN       HIS   9  12.504   3.248  -3.244
   72    HA   HIS   9           HA       HIS   9  12.751   0.540  -2.640
   73    HB2  HIS   9           HB2      HIS   9  14.119   1.289  -0.709
   74    HB3  HIS   9           HB3      HIS   9  14.632   1.917  -2.254
   75    HD1  HIS   9           HD1      HIS   9  13.989   2.914   1.133
   76    HD2  HIS   9           HD2      HIS   9  13.762   4.742  -2.588
   77    HE1  HIS   9           HE1      HIS   9  14.085   5.383   1.584
   78    HE2  HIS   9           HE2      HIS   9  13.766   6.463  -0.665
   79    H    ASP  10           HN       ASP  10  10.695   3.007  -1.266
   80    HA   ASP  10           HA       ASP  10   9.709   1.086   0.710
   81    HB2  ASP  10           HB2      ASP  10   9.008   3.987   0.241
   82    HB3  ASP  10           HB3      ASP  10   8.234   2.975   1.444
   83    H    SER  11           HN       SER  11   8.989   2.234  -2.433
   84    HA   SER  11           HA       SER  11   6.137   1.858  -2.216
   85    HB2  SER  11           HB2      SER  11   6.988   3.641  -3.653
   86    HB3  SER  11           HB3      SER  11   7.833   2.458  -4.635
   87    HG   SER  11           HG       SER  11   5.610   3.297  -5.265
   88    H    HIS  12           HN       HIS  12   5.512  -0.162  -1.952
   89    HA   HIS  12           HA       HIS  12   5.989  -2.045  -4.102
   90    HB2  HIS  12           HB2      HIS  12   6.472  -3.890  -2.507
   91    HB3  HIS  12           HB3      HIS  12   7.746  -2.684  -2.569
   92    HD1  HIS  12           HD1      HIS  12   5.052  -4.035  -0.309
   93    HD2  HIS  12           HD2      HIS  12   8.180  -1.296  -0.167
   94    HE1  HIS  12           HE1      HIS  12   5.366  -3.458   2.131
   95    HE2  HIS  12           HE2      HIS  12   7.247  -1.791   2.181
   96    H    SER  13           HN       SER  13   4.624  -4.085  -3.641
   97    HA   SER  13           HA       SER  13   1.992  -3.245  -2.839
   98    HB2  SER  13           HB2      SER  13   1.505  -5.735  -3.390
   99    HB3  SER  13           HB3      SER  13   1.939  -4.649  -4.710
  100    HG   SER  13           HG       SER  13   3.204  -6.420  -4.959
  101    H    CYS  14           HN       CYS  14   0.765  -4.222  -1.218
  102    HA   CYS  14           HA       CYS  14   2.183  -5.858   0.745
  103    HB2  CYS  14           HB2      CYS  14   1.181  -4.471   2.571
  104    HB3  CYS  14           HB3      CYS  14   2.428  -3.653   1.641
  105    H    ALA  15           HN       ALA  15   0.561  -6.681   2.407
  106    HA   ALA  15           HA       ALA  15  -1.247  -7.977   2.856
  107    HB1  ALA  15           HB1      ALA  15  -2.427  -5.862   2.919
  108    HB2  ALA  15           HB2      ALA  15  -3.458  -7.109   2.208
  109    HB3  ALA  15           HB3      ALA  15  -2.667  -5.921   1.170
  110    H    ASN  16           HN       ASN  16   0.291  -8.327   0.244
  111    HA   ASN  16           HA       ASN  16   0.351  -9.780  -1.489
  112    HB2  ASN  16           HB2      ASN  16  -2.198 -10.877  -0.292
  113    HB3  ASN  16           HB3      ASN  16  -1.320 -11.613  -1.626
  114   HD21  ASN  16          HD21      ASN  16  -1.419 -11.052   1.779
  115   HD22  ASN  16          HD22      ASN  16  -0.112 -12.102   2.202
  116    H    ASN  17           HN       ASN  17   0.069  -7.723  -2.477
  117    HA   ASN  17           HA       ASN  17  -0.612  -6.733  -4.427
  118    HB2  ASN  17           HB2      ASN  17  -1.417  -8.455  -5.663
  119    HB3  ASN  17           HB3      ASN  17  -2.389  -9.091  -4.349
  120   HD21  ASN  17          HD21      ASN  17  -4.369  -8.107  -3.865
  121   HD22  ASN  17          HD22      ASN  17  -5.276  -7.222  -5.054
  122    H    ARG  18           HN       ARG  18  -2.811  -7.302  -1.818
  123    HA   ARG  18           HA       ARG  18  -4.891  -5.585  -2.775
  124    HB2  ARG  18           HB2      ARG  18  -4.563  -6.717  -0.006
  125    HB3  ARG  18           HB3      ARG  18  -6.052  -6.191  -0.781
  126    HG2  ARG  18           HG2      ARG  18  -6.209  -8.064  -2.075
  127    HG3  ARG  18           HG3      ARG  18  -4.468  -8.355  -2.054
  128    HD2  ARG  18           HD2      ARG  18  -4.970  -8.644   0.541
  129    HD3  ARG  18           HD3      ARG  18  -6.546  -9.124  -0.103
  130    HE   ARG  18           HE       ARG  18  -4.077 -10.332  -1.116
  131   HH11  ARG  18          HH11      ARG  18  -7.163 -10.678   0.497
  132   HH12  ARG  18          HH12      ARG  18  -7.130 -12.409   0.462
  133   HH21  ARG  18          HH21      ARG  18  -4.043 -12.605  -1.185
  134   HH22  ARG  18          HH22      ARG  18  -5.358 -13.506  -0.505
  135    H    GLY  19           HN       GLY  19  -2.146  -4.514  -2.115
  136    HA2  GLY  19           HA2      GLY  19  -2.944  -2.071  -0.823
  137    HA3  GLY  19           HA1      GLY  19  -1.868  -3.070   0.126
  138    H    TRP  20           HN       TRP  20  -1.598  -0.405  -1.505
  139    HA   TRP  20           HA       TRP  20   1.068  -1.214  -2.441
  140    HB2  TRP  20           HB2      TRP  20  -0.476  -0.586  -4.396
  141    HB3  TRP  20           HB3      TRP  20  -0.409   1.053  -3.764
  142    HD1  TRP  20           HD1      TRP  20   1.804   2.422  -4.110
  143    HE1  TRP  20           HE1      TRP  20   3.978   2.013  -5.359
  144    HE3  TRP  20           HE3      TRP  20   1.194  -2.543  -5.144
  145    HZ2  TRP  20           HZ2      TRP  20   5.298  -0.143  -6.614
  146    HZ3  TRP  20           HZ3      TRP  20   2.984  -3.700  -6.371
  147    HH2  TRP  20           HH2      TRP  20   4.988  -2.522  -7.093
  148    H    CYS  21           HN       CYS  21   2.695  -0.058  -1.718
  149    HA   CYS  21           HA       CYS  21   2.286   1.950   0.266
  150    HB2  CYS  21           HB2      CYS  21   4.836   1.196  -1.141
  151    HB3  CYS  21           HB3      CYS  21   4.678   1.969   0.426
  152    H    ARG  22           HN       ARG  22   1.233   3.661  -0.637
  153    HA   ARG  22           HA       ARG  22   2.687   5.154  -2.726
  154    HB2  ARG  22           HB2      ARG  22  -0.262   5.152  -2.097
  155    HB3  ARG  22           HB3      ARG  22   0.496   6.152  -3.316
  156    HG2  ARG  22           HG2      ARG  22   1.131   4.083  -4.509
  157    HG3  ARG  22           HG3      ARG  22   0.228   3.158  -3.301
  158    HD2  ARG  22           HD2      ARG  22  -1.735   4.658  -3.874
  159    HD3  ARG  22           HD3      ARG  22  -0.807   5.159  -5.281
  160    HE   ARG  22           HE       ARG  22  -2.277   2.762  -4.935
  161   HH11  ARG  22          HH11      ARG  22   0.594   4.042  -6.498
  162   HH12  ARG  22          HH12      ARG  22   0.534   2.905  -7.806
  163   HH21  ARG  22          HH21      ARG  22  -2.344   1.277  -6.647
  164   HH22  ARG  22          HH22      ARG  22  -1.134   1.328  -7.892
  165    HA   PRO  23           HA       PRO  23   2.846   8.530   0.202
  166    HB2  PRO  23           HB2      PRO  23   2.951  10.637  -1.491
  167    HB3  PRO  23           HB3      PRO  23   4.321   9.547  -1.256
  168    HG2  PRO  23           HG2      PRO  23   2.312   9.620  -3.469
  169    HG3  PRO  23           HG3      PRO  23   4.062   9.356  -3.556
  170    HD2  PRO  23           HD2      PRO  23   2.228   7.341  -3.674
  171    HD3  PRO  23           HD3      PRO  23   3.874   7.130  -3.045
  172    H    THR  24           HN       THR  24   0.403   8.180  -2.174
  173    HA   THR  24           HA       THR  24  -1.577   9.358  -0.479
  174    HB   THR  24           HB       THR  24  -0.763  11.380  -1.595
  175    HG1  THR  24           HG1      THR  24  -2.779  11.960  -1.591
  176   HG21  THR  24          HG21      THR  24  -1.487   9.974  -4.162
  177   HG22  THR  24          HG22      THR  24   0.141  10.367  -3.615
  178   HG23  THR  24          HG23      THR  24  -0.991  11.660  -4.016
  179    H    CYS  25           HN       CYS  25  -3.578   8.544  -0.911
  180    HA   CYS  25           HA       CYS  25  -3.617   6.232  -2.655
  181    HB2  CYS  25           HB2      CYS  25  -5.735   7.284  -0.771
  182    HB3  CYS  25           HB3      CYS  25  -5.676   5.679  -1.493
  183    H    PHE  26           HN       PHE  26  -4.755   6.014  -4.490
  184    HA   PHE  26           HA       PHE  26  -5.748   8.426  -5.731
  185    HB2  PHE  26           HB2      PHE  26  -5.602   5.564  -6.693
  186    HB3  PHE  26           HB3      PHE  26  -6.139   6.918  -7.685
  187    HD1  PHE  26           HD1      PHE  26  -3.409   4.921  -6.874
  188    HD2  PHE  26           HD2      PHE  26  -4.448   8.962  -7.696
  189    HE1  PHE  26           HE1      PHE  26  -1.076   5.389  -7.492
  190    HE2  PHE  26           HE2      PHE  26  -2.118   9.439  -8.314
  191    HZ   PHE  26           HZ       PHE  26  -0.428   7.651  -8.212
  192    H    SER  27           HN       SER  27  -7.877   8.018  -7.122
  193    HA   SER  27           HA       SER  27  -9.926   7.988  -5.112
  194    HB2  SER  27           HB2      SER  27 -10.190   8.363  -8.103
  195    HB3  SER  27           HB3      SER  27 -11.384   8.799  -6.881
  196    HG   SER  27           HG       SER  27 -10.288  10.546  -6.420
  197    H    HIS  28           HN       HIS  28  -8.804   5.455  -5.398
  198    HA   HIS  28           HA       HIS  28 -11.198   3.909  -5.766
  199    HB2  HIS  28           HB2      HIS  28 -10.274   2.315  -7.384
  200    HB3  HIS  28           HB3      HIS  28 -10.339   3.927  -8.082
  201    HD1  HIS  28           HD1      HIS  28  -8.111   1.116  -7.640
  202    HD2  HIS  28           HD2      HIS  28  -7.668   5.236  -8.001
  203    HE1  HIS  28           HE1      HIS  28  -5.711   1.485  -8.291
  204    HE2  HIS  28           HE2      HIS  28  -5.528   3.964  -8.702
  205    H    GLU  29           HN       GLU  29  -9.145   4.691  -3.752
  206    HA   GLU  29           HA       GLU  29  -8.328   2.022  -2.881
  207    HB2  GLU  29           HB2      GLU  29  -6.469   4.389  -3.061
  208    HB3  GLU  29           HB3      GLU  29  -6.073   2.837  -2.346
  209    HG2  GLU  29           HG2      GLU  29  -6.308   1.759  -4.506
  210    HG3  GLU  29           HG3      GLU  29  -6.780   3.294  -5.235
  211    H    TYR  30           HN       TYR  30  -7.232   2.233  -0.658
  212    HA   TYR  30           HA       TYR  30  -8.236   4.418   0.980
  213    HB2  TYR  30           HB2      TYR  30  -9.244   2.873   2.619
  214    HB3  TYR  30           HB3      TYR  30 -10.053   2.778   1.058
  215    HD1  TYR  30           HD1      TYR  30  -9.974   0.745  -0.266
  216    HD2  TYR  30           HD2      TYR  30  -7.826   1.039   3.403
  217    HE1  TYR  30           HE1      TYR  30  -9.670  -1.696  -0.261
  218    HE2  TYR  30           HE2      TYR  30  -7.475  -1.389   3.416
  219    HH   TYR  30           HH       TYR  30  -9.042  -3.436   2.204
  220    H    THR  31           HN       THR  31  -7.265   4.286   3.218
  221    HA   THR  31           HA       THR  31  -4.484   3.459   2.905
  222    HB   THR  31           HB       THR  31  -5.727   5.098   5.122
  223    HG1  THR  31           HG1      THR  31  -4.994   5.742   2.536
  224   HG21  THR  31          HG21      THR  31  -3.404   5.848   5.501
  225   HG22  THR  31          HG22      THR  31  -2.854   4.714   4.268
  226   HG23  THR  31          HG23      THR  31  -3.594   4.113   5.751
  227    H    ASP  32           HN       ASP  32  -4.168   1.343   3.462
  228    HA   ASP  32           HA       ASP  32  -5.370   0.251   5.869
  229    HB2  ASP  32           HB2      ASP  32  -4.881  -1.264   3.995
  230    HB3  ASP  32           HB3      ASP  32  -3.179  -0.890   4.131
  231    H    TRP  33           HN       TRP  33  -4.548   0.723   7.828
  232    HA   TRP  33           HA       TRP  33  -1.977   1.979   8.016
  233    HB2  TRP  33           HB2      TRP  33  -4.201   1.469   9.968
  234    HB3  TRP  33           HB3      TRP  33  -2.647   2.126  10.481
  235    HD1  TRP  33           HD1      TRP  33  -5.855   3.130   8.749
  236    HE1  TRP  33           HE1      TRP  33  -5.728   5.615   8.081
  237    HE3  TRP  33           HE3      TRP  33  -0.927   3.972   9.771
  238    HZ2  TRP  33           HZ2      TRP  33  -3.773   7.656   7.994
  239    HZ3  TRP  33           HZ3      TRP  33  -0.001   6.215   9.356
  240    HH2  TRP  33           HH2      TRP  33  -1.394   8.010   8.477
  241    H    PHE  34           HN       PHE  34  -3.197  -1.168   8.340
  242    HA   PHE  34           HA       PHE  34  -1.266  -2.245  10.118
  243    HB2  PHE  34           HB2      PHE  34  -3.404  -3.375   9.447
  244    HB3  PHE  34           HB3      PHE  34  -2.711  -3.635   7.842
  245    HD1  PHE  34           HD1      PHE  34  -1.900  -4.246  11.429
  246    HD2  PHE  34           HD2      PHE  34  -1.710  -5.654   7.421
  247    HE1  PHE  34           HE1      PHE  34  -0.899  -6.348  12.222
  248    HE2  PHE  34           HE2      PHE  34  -0.705  -7.759   8.206
  249    HZ   PHE  34           HZ       PHE  34  -0.300  -8.106  10.608
  250    H    ASN  35           HN       ASN  35  -1.546  -2.467   6.582
  251    HA   ASN  35           HA       ASN  35   1.200  -3.245   6.345
  252    HB2  ASN  35           HB2      ASN  35  -0.968  -2.671   4.352
  253    HB3  ASN  35           HB3      ASN  35   0.688  -2.956   3.847
  254   HD21  ASN  35          HD21      ASN  35  -2.150  -4.314   5.222
  255   HD22  ASN  35          HD22      ASN  35  -1.677  -5.981   5.104
  256    H    ASN  36           HN       ASN  36  -0.300  -0.243   6.751
  257    HA   ASN  36           HA       ASN  36   1.482   1.460   5.444
  258    HB2  ASN  36           HB2      ASN  36  -0.153   1.656   7.880
  259    HB3  ASN  36           HB3      ASN  36   1.312   2.624   7.943
  260   HD21  ASN  36          HD21      ASN  36   0.670   4.636   7.618
  261   HD22  ASN  36          HD22      ASN  36  -0.315   5.173   6.304
  262    H    ASP  37           HN       ASP  37   1.744  -0.406   8.386
  263    HA   ASP  37           HA       ASP  37   4.275   0.447   9.241
  264    HB2  ASP  37           HB2      ASP  37   2.716  -0.789  10.669
  265    HB3  ASP  37           HB3      ASP  37   2.914  -2.210   9.654
  266    H    VAL  38           HN       VAL  38   3.314  -2.244   7.094
  267    HA   VAL  38           HA       VAL  38   6.003  -3.161   6.735
  268    HB   VAL  38           HB       VAL  38   5.275  -4.589   5.034
  269   HG11  VAL  38          HG11      VAL  38   4.401  -5.277   7.141
  270   HG12  VAL  38          HG12      VAL  38   3.194  -5.614   5.900
  271   HG13  VAL  38          HG13      VAL  38   3.002  -4.219   6.962
  272   HG21  VAL  38          HG21      VAL  38   4.189  -2.951   3.589
  273   HG22  VAL  38          HG22      VAL  38   2.791  -2.921   4.669
  274   HG23  VAL  38          HG23      VAL  38   3.196  -4.399   3.788
  275    H    CYS  39           HN       CYS  39   4.073  -0.750   5.205
  276    HA   CYS  39           HA       CYS  39   5.676  -0.398   2.903
  277    HB2  CYS  39           HB2      CYS  39   3.546   1.270   4.217
  278    HB3  CYS  39           HB3      CYS  39   4.385   1.802   2.764
  279    H    GLY  40           HN       GLY  40   5.831   0.916   6.137
  280    HA2  GLY  40           HA2      GLY  40   7.691   1.903   7.123
  281    HA3  GLY  40           HA1      GLY  40   8.482   1.894   5.561
  282    H    SER  41           HN       SER  41   8.318   3.656   4.224
  283    HA   SER  41           HA       SER  41   7.607   6.104   5.640
  284    HB2  SER  41           HB2      SER  41   9.870   5.795   4.660
  285    HB3  SER  41           HB3      SER  41   9.139   5.734   3.059
  286    HG   SER  41           HG       SER  41   8.185   7.897   3.923
  287    H    TYR  42           HN       TYR  42   6.120   4.049   3.598
  288    HA   TYR  42           HA       TYR  42   4.440   6.170   2.404
  289    HB2  TYR  42           HB2      TYR  42   5.203   3.429   1.453
  290    HB3  TYR  42           HB3      TYR  42   3.704   4.167   0.911
  291    HD1  TYR  42           HD1      TYR  42   6.721   3.427  -0.250
  292    HD2  TYR  42           HD2      TYR  42   4.364   6.899   0.374
  293    HE1  TYR  42           HE1      TYR  42   7.939   4.563  -2.046
  294    HE2  TYR  42           HE2      TYR  42   5.572   8.048  -1.424
  295    HH   TYR  42           HH       TYR  42   7.667   6.427  -3.589
  296    H    ARG  43           HN       ARG  43   2.189   5.251   1.965
  297    HA   ARG  43           HA       ARG  43   1.284   3.765   4.335
  298    HB2  ARG  43           HB2      ARG  43  -0.802   5.038   4.190
  299    HB3  ARG  43           HB3      ARG  43   0.572   6.122   4.346
  300    HG2  ARG  43           HG2      ARG  43   0.419   6.143   1.716
  301    HG3  ARG  43           HG3      ARG  43  -1.249   5.676   2.054
  302    HD2  ARG  43           HD2      ARG  43  -1.073   8.074   1.851
  303    HD3  ARG  43           HD3      ARG  43  -1.500   7.625   3.499
  304    HE   ARG  43           HE       ARG  43   1.313   8.117   2.911
  305   HH11  ARG  43          HH11      ARG  43  -1.685   9.268   4.314
  306   HH12  ARG  43          HH12      ARG  43  -0.917  10.513   5.246
  307   HH21  ARG  43          HH21      ARG  43   2.321   9.749   4.141
  308   HH22  ARG  43          HH22      ARG  43   1.366  10.788   5.149
  309    H    CYS  44           HN       CYS  44  -0.375   2.169   3.985
  310    HA   CYS  44           HA       CYS  44  -0.005   0.955   1.386
  311    HB2  CYS  44           HB2      CYS  44   0.062  -0.453   3.371
  312    HB3  CYS  44           HB3      CYS  44  -1.564  -0.013   3.788
  313    H    CYS  45           HN       CYS  45  -1.050   2.363   0.050
  314    HA   CYS  45           HA       CYS  45  -3.847   2.901   0.313
  315    HB2  CYS  45           HB2      CYS  45  -1.925   3.255  -1.996
  316    HB3  CYS  45           HB3      CYS  45  -3.592   3.831  -1.983
  317    H    ARG  46           HN       ARG  46  -5.002   1.134   0.380
  318    HA   ARG  46           HA       ARG  46  -4.401  -1.098  -1.371
  319    HB2  ARG  46           HB2      ARG  46  -6.466  -0.842   0.811
  320    HB3  ARG  46           HB3      ARG  46  -5.982  -2.329   0.009
  321    HG2  ARG  46           HG2      ARG  46  -3.595  -1.430   0.891
  322    HG3  ARG  46           HG3      ARG  46  -4.654  -0.798   2.125
  323    HD2  ARG  46           HD2      ARG  46  -4.207  -3.643   1.337
  324    HD3  ARG  46           HD3      ARG  46  -3.917  -2.902   2.901
  325    HE   ARG  46           HE       ARG  46  -6.661  -3.090   1.900
  326   HH11  ARG  46          HH11      ARG  46  -4.152  -4.212   4.067
  327   HH12  ARG  46          HH12      ARG  46  -5.243  -5.031   5.136
  328   HH21  ARG  46          HH21      ARG  46  -8.120  -4.185   3.350
  329   HH22  ARG  46          HH22      ARG  46  -7.485  -5.018   4.730
  330    HA   PRO  47           HA       PRO  47  -7.535  -0.109  -4.223
  331    HB2  PRO  47           HB2      PRO  47  -8.023  -2.598  -5.218
  332    HB3  PRO  47           HB3      PRO  47  -6.577  -1.672  -5.624
  333    HG2  PRO  47           HG2      PRO  47  -6.908  -3.937  -3.724
  334    HG3  PRO  47           HG3      PRO  47  -5.527  -3.537  -4.754
  335    HD2  PRO  47           HD2      PRO  47  -5.687  -3.014  -2.059
  336    HD3  PRO  47           HD3      PRO  47  -4.623  -2.153  -3.173
  337    H    GLY  48           HN       GLY  48  -9.553   0.397  -3.657
  338    HA2  GLY  48           HA2      GLY  48 -10.797  -0.651  -1.395
  339    HA3  GLY  48           HA1      GLY  48 -11.608   0.311  -2.623
  340    H    ARG  49           HN       ARG  49 -10.667  -1.981  -4.500
  341    HA   ARG  49           HA       ARG  49 -12.983  -3.681  -3.947
  342    HB2  ARG  49           HB2      ARG  49 -12.629  -4.308  -6.465
  343    HB3  ARG  49           HB3      ARG  49 -13.442  -2.816  -6.026
  344    HG2  ARG  49           HG2      ARG  49 -11.905  -2.421  -7.839
  345    HG3  ARG  49           HG3      ARG  49 -11.353  -1.580  -6.393
  346    HD2  ARG  49           HD2      ARG  49  -9.476  -2.598  -7.522
  347    HD3  ARG  49           HD3      ARG  49  -9.746  -3.397  -5.976
  348    HE   ARG  49           HE       ARG  49 -11.100  -4.987  -7.650
  349   HH11  ARG  49          HH11      ARG  49  -7.873  -3.638  -7.864
  350   HH12  ARG  49          HH12      ARG  49  -7.234  -4.989  -8.740
  351   HH21  ARG  49          HH21      ARG  49 -10.259  -6.755  -8.813
  352   HH22  ARG  49          HH22      ARG  49  -8.592  -6.753  -9.295
  353    H    AAR  50           HN       AAR  50 -10.068  -3.933  -3.020
  354    HA   AAR  50           HA       AAR  50  -8.802  -6.133  -3.974
  355    HB2  AAR  50           HB2      AAR  50  -8.098  -6.596  -1.619
  356    HB3  AAR  50           HB3      AAR  50  -7.876  -4.930  -2.128
  357    HG2  AAR  50           HG2      AAR  50  -9.053  -4.237  -0.390
  358    HG3  AAR  50           HG3      AAR  50 -10.453  -5.149  -0.961
  359    HD2  AAR  50           HD2      AAR  50  -9.973  -5.876   1.257
  360    HD3  AAR  50           HD3      AAR  50  -9.490  -7.165   0.158
  361    HE   AAR  50           HE       AAR  50  -7.370  -5.346   0.890
  362   HH11  AAR  50          HH21      AAR  50  -5.641  -6.195   2.146
  363   HH12  AAR  50          HH22      AAR  50  -5.803  -7.759   2.878
  364   HH21  AAR  50          HH11      AAR  50  -9.043  -8.320   1.665
  365   HH22  AAR  50          HH12      AAR  50  -7.744  -8.956   2.622
  366   HNT1  AAR  50          HNT1      AAR  50  -9.567  -8.042  -4.592
  367   HNT2  AAR  50          HNT2      AAR  50 -10.793  -8.970  -3.774
  Start of MODEL   10
    1    H1   SER   1           HT1      SER   1  10.377  -4.233   3.650
    2    H2   SER   1           HT2      SER   1  11.793  -3.841   2.955
    3    H3   SER   1           HT3      SER   1  11.555  -5.346   3.517
    4    HA   SER   1           HA       SER   1  10.090  -4.129   1.299
    5    HB2  SER   1           HB2      SER   1  12.142  -6.351   1.209
    6    HB3  SER   1           HB3      SER   1  11.374  -5.547  -0.161
    7    HG   SER   1           HG       SER   1  12.411  -3.583   0.608
    8    H    TYR   2           HN       TYR   2   8.117  -4.818   2.410
    9    HA   TYR   2           HA       TYR   2   7.438  -7.418   3.071
   10    HB2  TYR   2           HB2      TYR   2   5.966  -5.441   3.350
   11    HB3  TYR   2           HB3      TYR   2   5.693  -5.417   1.616
   12    HD1  TYR   2           HD1      TYR   2   4.898  -7.098   4.765
   13    HD2  TYR   2           HD2      TYR   2   4.257  -7.078   0.559
   14    HE1  TYR   2           HE1      TYR   2   2.953  -8.575   5.059
   15    HE2  TYR   2           HE2      TYR   2   2.315  -8.553   0.842
   16    HH   TYR   2           HH       TYR   2   1.536 -10.265   2.583
   17    H    GLN   3           HN       GLN   3   7.707  -5.943  -0.107
   18    HA   GLN   3           HA       GLN   3   8.093  -8.482  -1.330
   19    HB2  GLN   3           HB2      GLN   3   5.570  -8.296  -1.157
   20    HB3  GLN   3           HB3      GLN   3   5.675  -6.930  -2.258
   21    HG2  GLN   3           HG2      GLN   3   5.177  -8.669  -3.675
   22    HG3  GLN   3           HG3      GLN   3   6.930  -8.568  -3.804
   23   HE21  GLN   3          HE21      GLN   3   7.232  -9.825  -1.105
   24   HE22  GLN   3          HE22      GLN   3   6.930 -11.503  -1.366
   25    H    ARG   4           HN       ARG   4  10.034  -7.439  -1.801
   26    HA   ARG   4           HA       ARG   4  11.514  -6.584  -3.276
   27    HB2  ARG   4           HB2      ARG   4   9.912  -7.549  -4.954
   28    HB3  ARG   4           HB3      ARG   4   9.177  -5.961  -5.080
   29    HG2  ARG   4           HG2      ARG   4  11.499  -5.116  -5.695
   30    HG3  ARG   4           HG3      ARG   4  11.937  -6.813  -5.894
   31    HD2  ARG   4           HD2      ARG   4   9.833  -5.258  -7.401
   32    HD3  ARG   4           HD3      ARG   4  11.327  -5.949  -8.037
   33    HE   ARG   4           HE       ARG   4   9.366  -7.788  -6.894
   34   HH11  ARG   4          HH11      ARG   4  10.906  -6.457  -9.735
   35   HH12  ARG   4          HH12      ARG   4  10.324  -7.704 -10.788
   36   HH21  ARG   4          HH21      ARG   4   8.596  -9.428  -8.273
   37   HH22  ARG   4          HH22      ARG   4   8.997  -9.389  -9.962
   38    H    ILE   5           HN       ILE   5  12.410  -4.649  -4.035
   39    HA   ILE   5           HA       ILE   5  11.022  -2.173  -3.270
   40    HB   ILE   5           HB       ILE   5  13.950  -2.755  -3.767
   41   HG12  ILE   5          HG12      ILE   5  12.478  -1.778  -1.312
   42   HG13  ILE   5          HG11      ILE   5  13.075  -3.414  -1.564
   43   HG21  ILE   5          HG21      ILE   5  12.593  -0.107  -3.322
   44   HG22  ILE   5          HG22      ILE   5  13.529  -0.609  -4.728
   45   HG23  ILE   5          HG23      ILE   5  14.332  -0.363  -3.177
   46   HD11  ILE   5          HD11      ILE   5  14.545  -2.168  -0.105
   47   HD12  ILE   5          HD12      ILE   5  14.752  -0.927  -1.341
   48   HD13  ILE   5          HD13      ILE   5  15.364  -2.558  -1.616
   49    H    ARG   6           HN       ARG   6   9.954  -1.296  -4.955
   50    HA   ARG   6           HA       ARG   6  10.701  -2.160  -7.622
   51    HB2  ARG   6           HB2      ARG   6   8.227  -0.862  -6.499
   52    HB3  ARG   6           HB3      ARG   6   8.502  -1.045  -8.213
   53    HG2  ARG   6           HG2      ARG   6   7.068  -2.795  -7.401
   54    HG3  ARG   6           HG3      ARG   6   8.590  -3.451  -7.975
   55    HD2  ARG   6           HD2      ARG   6   9.306  -4.012  -5.871
   56    HD3  ARG   6           HD3      ARG   6   8.315  -2.789  -5.091
   57    HE   ARG   6           HE       ARG   6   6.998  -4.575  -4.617
   58   HH11  ARG   6          HH11      ARG   6   7.950  -4.970  -8.003
   59   HH12  ARG   6          HH12      ARG   6   6.865  -6.295  -8.255
   60   HH21  ARG   6          HH21      ARG   6   5.584  -6.308  -5.005
   61   HH22  ARG   6          HH22      ARG   6   5.534  -7.043  -6.574
   62    H    SER   7           HN       SER   7   8.996   0.834  -7.108
   63    HA   SER   7           HA       SER   7  10.783   2.259  -8.815
   64    HB2  SER   7           HB2      SER   7   8.353   2.724  -8.751
   65    HB3  SER   7           HB3      SER   7   8.512   3.293  -7.093
   66    HG   SER   7           HG       SER   7  10.047   4.435  -9.164
   67    H    ASP   8           HN       ASP   8   9.786   2.873  -5.452
   68    HA   ASP   8           HA       ASP   8  12.525   3.816  -4.902
   69    HB2  ASP   8           HB2      ASP   8  10.432   5.415  -4.672
   70    HB3  ASP   8           HB3      ASP   8  10.185   4.529  -3.170
   71    H    HIS   9           HN       HIS   9  12.485   3.719  -2.152
   72    HA   HIS   9           HA       HIS   9  12.798   0.939  -1.695
   73    HB2  HIS   9           HB2      HIS   9  12.900   3.354   0.096
   74    HB3  HIS   9           HB3      HIS   9  13.152   1.727   0.693
   75    HD1  HIS   9           HD1      HIS   9  15.490   0.921   0.661
   76    HD2  HIS   9           HD2      HIS   9  14.872   4.071  -1.977
   77    HE1  HIS   9           HE1      HIS   9  17.757   1.470  -0.277
   78    HE2  HIS   9           HE2      HIS   9  17.381   3.499  -1.717
   79    H    ASP  10           HN       ASP  10  10.372   3.316  -0.912
   80    HA   ASP  10           HA       ASP  10   9.010   1.510   0.890
   81    HB2  ASP  10           HB2      ASP  10   8.372   4.345   0.063
   82    HB3  ASP  10           HB3      ASP  10   7.499   3.431   1.288
   83    H    SER  11           HN       SER  11   8.743   2.574  -2.402
   84    HA   SER  11           HA       SER  11   5.972   1.988  -2.708
   85    HB2  SER  11           HB2      SER  11   7.433   1.866  -5.180
   86    HB3  SER  11           HB3      SER  11   6.302   3.093  -4.622
   87    HG   SER  11           HG       SER  11   8.016   4.304  -4.570
   88    H    HIS  12           HN       HIS  12   5.501  -0.075  -2.092
   89    HA   HIS  12           HA       HIS  12   6.196  -2.122  -4.008
   90    HB2  HIS  12           HB2      HIS  12   6.857  -3.774  -2.313
   91    HB3  HIS  12           HB3      HIS  12   7.977  -2.421  -2.363
   92    HD1  HIS  12           HD1      HIS  12   5.305  -3.970  -0.192
   93    HD2  HIS  12           HD2      HIS  12   8.168  -0.961   0.008
   94    HE1  HIS  12           HE1      HIS  12   5.453  -3.315   2.235
   95    HE2  HIS  12           HE2      HIS  12   7.275  -1.585   2.341
   96    H    SER  13           HN       SER  13   5.008  -4.219  -3.394
   97    HA   SER  13           HA       SER  13   2.267  -3.542  -2.872
   98    HB2  SER  13           HB2      SER  13   1.938  -6.035  -3.283
   99    HB3  SER  13           HB3      SER  13   2.618  -5.114  -4.624
  100    HG   SER  13           HG       SER  13   3.666  -7.200  -3.288
  101    H    CYS  14           HN       CYS  14   0.964  -4.448  -1.279
  102    HA   CYS  14           HA       CYS  14   2.224  -5.961   0.873
  103    HB2  CYS  14           HB2      CYS  14   1.194  -4.505   2.584
  104    HB3  CYS  14           HB3      CYS  14   2.417  -3.671   1.640
  105    H    ALA  15           HN       ALA  15   0.391  -6.580   2.487
  106    HA   ALA  15           HA       ALA  15  -1.484  -7.802   2.852
  107    HB1  ALA  15           HB1      ALA  15  -2.505  -5.588   2.709
  108    HB2  ALA  15           HB2      ALA  15  -3.589  -6.844   2.101
  109    HB3  ALA  15           HB3      ALA  15  -2.723  -5.805   0.971
  110    H    ASN  16           HN       ASN  16   0.183  -8.480   0.416
  111    HA   ASN  16           HA       ASN  16   0.225 -10.105  -1.153
  112    HB2  ASN  16           HB2      ASN  16  -2.243 -10.867   0.362
  113    HB3  ASN  16           HB3      ASN  16  -1.834 -11.720  -1.118
  114   HD21  ASN  16          HD21      ASN  16  -0.993 -11.129   2.180
  115   HD22  ASN  16          HD22      ASN  16   0.209 -12.367   2.312
  116    H    ASN  17           HN       ASN  17  -0.084  -8.059  -2.423
  117    HA   ASN  17           HA       ASN  17  -0.818  -7.159  -4.388
  118    HB2  ASN  17           HB2      ASN  17  -1.687  -8.857  -5.629
  119    HB3  ASN  17           HB3      ASN  17  -2.571  -9.536  -4.266
  120   HD21  ASN  17          HD21      ASN  17  -4.549  -8.525  -3.647
  121   HD22  ASN  17          HD22      ASN  17  -5.521  -7.652  -4.797
  122    H    ARG  18           HN       ARG  18  -3.043  -7.723  -1.746
  123    HA   ARG  18           HA       ARG  18  -5.010  -5.889  -2.678
  124    HB2  ARG  18           HB2      ARG  18  -4.646  -7.304  -0.038
  125    HB3  ARG  18           HB3      ARG  18  -6.026  -6.280  -0.413
  126    HG2  ARG  18           HG2      ARG  18  -6.970  -8.187  -1.085
  127    HG3  ARG  18           HG3      ARG  18  -6.021  -7.938  -2.547
  128    HD2  ARG  18           HD2      ARG  18  -5.663 -10.174  -1.892
  129    HD3  ARG  18           HD3      ARG  18  -4.205  -9.276  -1.470
  130    HE   ARG  18           HE       ARG  18  -5.531  -9.214   0.833
  131   HH11  ARG  18          HH11      ARG  18  -4.940 -11.849  -1.380
  132   HH12  ARG  18          HH12      ARG  18  -4.870 -13.052  -0.132
  133   HH21  ARG  18          HH21      ARG  18  -5.425 -10.788   2.489
  134   HH22  ARG  18          HH22      ARG  18  -5.146 -12.447   2.067
  135    H    GLY  19           HN       GLY  19  -2.187  -4.985  -2.039
  136    HA2  GLY  19           HA2      GLY  19  -2.922  -2.454  -0.848
  137    HA3  GLY  19           HA1      GLY  19  -1.840  -3.440   0.117
  138    H    TRP  20           HN       TRP  20  -1.590  -0.850  -1.608
  139    HA   TRP  20           HA       TRP  20   1.103  -1.634  -2.449
  140    HB2  TRP  20           HB2      TRP  20  -0.327  -1.407  -4.514
  141    HB3  TRP  20           HB3      TRP  20  -0.547   0.292  -4.093
  142    HD1  TRP  20           HD1      TRP  20   1.513   1.924  -4.436
  143    HE1  TRP  20           HE1      TRP  20   3.786   1.681  -5.572
  144    HE3  TRP  20           HE3      TRP  20   1.528  -3.140  -5.097
  145    HZ2  TRP  20           HZ2      TRP  20   5.389  -0.405  -6.606
  146    HZ3  TRP  20           HZ3      TRP  20   3.479  -4.175  -6.176
  147    HH2  TRP  20           HH2      TRP  20   5.364  -2.834  -6.917
  148    H    CYS  21           HN       CYS  21   2.633  -0.310  -1.798
  149    HA   CYS  21           HA       CYS  21   1.954   1.761   0.052
  150    HB2  CYS  21           HB2      CYS  21   4.669   1.053  -1.036
  151    HB3  CYS  21           HB3      CYS  21   4.300   1.879   0.474
  152    H    ARG  22           HN       ARG  22   1.324   3.671  -0.591
  153    HA   ARG  22           HA       ARG  22   2.865   5.025  -2.701
  154    HB2  ARG  22           HB2      ARG  22  -0.130   5.141  -2.318
  155    HB3  ARG  22           HB3      ARG  22   0.776   6.099  -3.467
  156    HG2  ARG  22           HG2      ARG  22   1.431   4.041  -4.626
  157    HG3  ARG  22           HG3      ARG  22   0.470   3.110  -3.470
  158    HD2  ARG  22           HD2      ARG  22  -0.611   3.702  -5.720
  159    HD3  ARG  22           HD3      ARG  22  -1.546   3.992  -4.252
  160    HE   ARG  22           HE       ARG  22  -1.537   6.212  -4.744
  161   HH11  ARG  22          HH11      ARG  22   1.034   4.677  -6.568
  162   HH12  ARG  22          HH12      ARG  22   1.557   6.149  -7.320
  163   HH21  ARG  22          HH21      ARG  22  -0.848   8.163  -5.735
  164   HH22  ARG  22          HH22      ARG  22   0.482   8.135  -6.852
  165    HA   PRO  23           HA       PRO  23   2.954   8.306   0.310
  166    HB2  PRO  23           HB2      PRO  23   3.335  10.454  -1.305
  167    HB3  PRO  23           HB3      PRO  23   4.611   9.301  -0.907
  168    HG2  PRO  23           HG2      PRO  23   3.040   9.605  -3.400
  169    HG3  PRO  23           HG3      PRO  23   4.699   9.032  -3.173
  170    HD2  PRO  23           HD2      PRO  23   2.474   7.423  -3.634
  171    HD3  PRO  23           HD3      PRO  23   4.034   6.877  -2.992
  172    H    THR  24           HN       THR  24   0.642   8.170  -2.189
  173    HA   THR  24           HA       THR  24  -1.302   9.500  -0.555
  174    HB   THR  24           HB       THR  24  -0.435  11.458  -1.658
  175    HG1  THR  24           HG1      THR  24  -2.626  11.260  -3.280
  176   HG21  THR  24          HG21      THR  24  -0.908   9.981  -4.243
  177   HG22  THR  24          HG22      THR  24   0.656  10.418  -3.556
  178   HG23  THR  24          HG23      THR  24  -0.447  11.679  -4.109
  179    H    CYS  25           HN       CYS  25  -3.245   8.604  -0.830
  180    HA   CYS  25           HA       CYS  25  -3.431   6.386  -2.679
  181    HB2  CYS  25           HB2      CYS  25  -5.337   7.347  -0.534
  182    HB3  CYS  25           HB3      CYS  25  -5.448   5.819  -1.401
  183    H    PHE  26           HN       PHE  26  -4.861   6.167  -4.333
  184    HA   PHE  26           HA       PHE  26  -6.030   8.567  -5.432
  185    HB2  PHE  26           HB2      PHE  26  -6.292   5.683  -6.296
  186    HB3  PHE  26           HB3      PHE  26  -6.847   7.082  -7.215
  187    HD1  PHE  26           HD1      PHE  26  -4.996   8.870  -7.719
  188    HD2  PHE  26           HD2      PHE  26  -4.245   4.794  -6.767
  189    HE1  PHE  26           HE1      PHE  26  -2.800   9.022  -8.808
  190    HE2  PHE  26           HE2      PHE  26  -2.051   4.941  -7.851
  191    HZ   PHE  26           HZ       PHE  26  -1.320   7.051  -8.863
  192    H    SER  27           HN       SER  27  -8.388   8.334  -6.264
  193    HA   SER  27           HA       SER  27 -10.007   8.047  -3.909
  194    HB2  SER  27           HB2      SER  27 -10.825   8.784  -6.726
  195    HB3  SER  27           HB3      SER  27 -11.780   9.020  -5.262
  196    HG   SER  27           HG       SER  27 -10.715  10.786  -4.895
  197    H    HIS  28           HN       HIS  28  -8.840   5.757  -5.747
  198    HA   HIS  28           HA       HIS  28 -11.263   4.114  -5.463
  199    HB2  HIS  28           HB2      HIS  28 -10.523   2.696  -7.287
  200    HB3  HIS  28           HB3      HIS  28 -10.618   4.358  -7.846
  201    HD1  HIS  28           HD1      HIS  28  -8.379   1.489  -7.702
  202    HD2  HIS  28           HD2      HIS  28  -7.965   5.604  -8.071
  203    HE1  HIS  28           HE1      HIS  28  -6.084   1.856  -8.644
  204    HE2  HIS  28           HE2      HIS  28  -5.947   4.328  -9.063
  205    H    GLU  29           HN       GLU  29  -8.782   4.865  -3.803
  206    HA   GLU  29           HA       GLU  29  -8.212   2.116  -2.924
  207    HB2  GLU  29           HB2      GLU  29  -6.232   4.394  -2.941
  208    HB3  GLU  29           HB3      GLU  29  -5.925   2.745  -2.427
  209    HG2  GLU  29           HG2      GLU  29  -6.099   1.937  -4.660
  210    HG3  GLU  29           HG3      GLU  29  -6.694   3.496  -5.236
  211    H    TYR  30           HN       TYR  30  -7.108   2.282  -0.658
  212    HA   TYR  30           HA       TYR  30  -8.015   4.548   0.923
  213    HB2  TYR  30           HB2      TYR  30  -9.189   3.181   2.554
  214    HB3  TYR  30           HB3      TYR  30  -9.910   2.952   0.968
  215    HD1  TYR  30           HD1      TYR  30  -7.908   1.400   3.615
  216    HD2  TYR  30           HD2      TYR  30  -9.783   0.802  -0.162
  217    HE1  TYR  30           HE1      TYR  30  -7.660  -1.016   3.893
  218    HE2  TYR  30           HE2      TYR  30  -9.552  -1.646   0.097
  219    HH   TYR  30           HH       TYR  30  -8.564  -3.039   3.131
  220    H    THR  31           HN       THR  31  -7.026   4.567   3.076
  221    HA   THR  31           HA       THR  31  -4.312   3.569   2.908
  222    HB   THR  31           HB       THR  31  -5.573   5.226   5.104
  223    HG1  THR  31           HG1      THR  31  -4.822   5.877   2.552
  224   HG21  THR  31          HG21      THR  31  -3.521   4.165   5.810
  225   HG22  THR  31          HG22      THR  31  -3.219   5.883   5.541
  226   HG23  THR  31          HG23      THR  31  -2.701   4.698   4.343
  227    H    ASP  32           HN       ASP  32  -4.059   1.486   3.466
  228    HA   ASP  32           HA       ASP  32  -5.309   0.430   5.874
  229    HB2  ASP  32           HB2      ASP  32  -4.898  -0.985   3.835
  230    HB3  ASP  32           HB3      ASP  32  -3.194  -0.834   4.139
  231    H    TRP  33           HN       TRP  33  -4.391   0.553   7.830
  232    HA   TRP  33           HA       TRP  33  -1.827   1.893   8.006
  233    HB2  TRP  33           HB2      TRP  33  -4.072   1.397   9.942
  234    HB3  TRP  33           HB3      TRP  33  -2.509   2.021  10.469
  235    HD1  TRP  33           HD1      TRP  33  -5.707   3.130   8.829
  236    HE1  TRP  33           HE1      TRP  33  -5.532   5.606   8.177
  237    HE3  TRP  33           HE3      TRP  33  -0.727   3.793   9.636
  238    HZ2  TRP  33           HZ2      TRP  33  -3.515   7.580   7.994
  239    HZ3  TRP  33           HZ3      TRP  33   0.262   5.991   9.178
  240    HH2  TRP  33           HH2      TRP  33  -1.103   7.837   8.363
  241    H    PHE  34           HN       PHE  34  -3.128  -1.247   8.380
  242    HA   PHE  34           HA       PHE  34  -1.167  -2.358  10.107
  243    HB2  PHE  34           HB2      PHE  34  -3.345  -3.448   9.475
  244    HB3  PHE  34           HB3      PHE  34  -2.680  -3.725   7.862
  245    HD1  PHE  34           HD1      PHE  34  -1.615  -5.713   7.421
  246    HD2  PHE  34           HD2      PHE  34  -1.932  -4.391  11.452
  247    HE1  PHE  34           HE1      PHE  34  -0.638  -7.837   8.189
  248    HE2  PHE  34           HE2      PHE  34  -0.954  -6.510  12.228
  249    HZ   PHE  34           HZ       PHE  34  -0.305  -8.238  10.597
  250    H    ASN  35           HN       ASN  35  -1.568  -2.504   6.607
  251    HA   ASN  35           HA       ASN  35   1.130  -3.395   6.214
  252    HB2  ASN  35           HB2      ASN  35  -1.088  -2.609   4.336
  253    HB3  ASN  35           HB3      ASN  35   0.511  -3.063   3.769
  254   HD21  ASN  35          HD21      ASN  35  -2.411  -4.134   5.228
  255   HD22  ASN  35          HD22      ASN  35  -2.119  -5.835   5.086
  256    H    ASN  36           HN       ASN  36  -0.327  -0.377   6.691
  257    HA   ASN  36           HA       ASN  36   1.430   1.289   5.256
  258    HB2  ASN  36           HB2      ASN  36  -0.646   1.958   6.589
  259    HB3  ASN  36           HB3      ASN  36   0.381   1.905   8.008
  260   HD21  ASN  36          HD21      ASN  36  -1.083   4.029   6.610
  261   HD22  ASN  36          HD22      ASN  36   0.070   5.285   6.367
  262    H    ASP  37           HN       ASP  37   1.680  -0.458   8.256
  263    HA   ASP  37           HA       ASP  37   4.126   0.585   9.161
  264    HB2  ASP  37           HB2      ASP  37   2.890  -0.632  10.746
  265    HB3  ASP  37           HB3      ASP  37   2.659  -1.989   9.651
  266    H    VAL  38           HN       VAL  38   3.358  -2.227   7.104
  267    HA   VAL  38           HA       VAL  38   6.079  -3.027   6.796
  268    HB   VAL  38           HB       VAL  38   5.413  -4.525   5.116
  269   HG11  VAL  38          HG11      VAL  38   3.092  -4.207   7.001
  270   HG12  VAL  38          HG12      VAL  38   4.568  -5.126   7.294
  271   HG13  VAL  38          HG13      VAL  38   3.440  -5.644   6.041
  272   HG21  VAL  38          HG21      VAL  38   2.838  -3.003   4.737
  273   HG22  VAL  38          HG22      VAL  38   3.352  -4.445   3.853
  274   HG23  VAL  38          HG23      VAL  38   4.236  -2.928   3.661
  275    H    CYS  39           HN       CYS  39   4.102  -0.706   5.241
  276    HA   CYS  39           HA       CYS  39   5.654  -0.292   2.919
  277    HB2  CYS  39           HB2      CYS  39   3.562   1.378   4.295
  278    HB3  CYS  39           HB3      CYS  39   4.320   1.847   2.777
  279    H    GLY  40           HN       GLY  40   6.039   0.821   6.175
  280    HA2  GLY  40           HA2      GLY  40   7.870   1.958   7.053
  281    HA3  GLY  40           HA1      GLY  40   8.500   2.119   5.426
  282    H    SER  41           HN       SER  41   8.290   3.999   4.383
  283    HA   SER  41           HA       SER  41   7.233   6.224   5.923
  284    HB2  SER  41           HB2      SER  41   9.437   6.407   4.879
  285    HB3  SER  41           HB3      SER  41   8.724   6.140   3.291
  286    HG   SER  41           HG       SER  41   8.347   8.198   3.216
  287    H    TYR  42           HN       TYR  42   6.393   4.299   3.185
  288    HA   TYR  42           HA       TYR  42   4.331   6.142   2.283
  289    HB2  TYR  42           HB2      TYR  42   5.345   3.488   1.342
  290    HB3  TYR  42           HB3      TYR  42   3.768   4.058   0.812
  291    HD1  TYR  42           HD1      TYR  42   5.442   3.534  -1.289
  292    HD2  TYR  42           HD2      TYR  42   5.519   6.990   1.183
  293    HE1  TYR  42           HE1      TYR  42   6.495   4.791  -3.094
  294    HE2  TYR  42           HE2      TYR  42   6.571   8.264  -0.616
  295    HH   TYR  42           HH       TYR  42   7.902   7.875  -2.615
  296    H    ARG  43           HN       ARG  43   2.171   5.130   1.836
  297    HA   ARG  43           HA       ARG  43   1.290   3.640   4.214
  298    HB2  ARG  43           HB2      ARG  43  -0.795   4.888   4.086
  299    HB3  ARG  43           HB3      ARG  43   0.559   6.001   4.191
  300    HG2  ARG  43           HG2      ARG  43   0.353   5.941   1.561
  301    HG3  ARG  43           HG3      ARG  43  -1.306   5.488   1.956
  302    HD2  ARG  43           HD2      ARG  43  -1.161   7.873   1.690
  303    HD3  ARG  43           HD3      ARG  43  -1.492   7.479   3.375
  304    HE   ARG  43           HE       ARG  43   1.305   7.905   2.701
  305   HH11  ARG  43          HH11      ARG  43  -1.677   9.284   3.880
  306   HH12  ARG  43          HH12      ARG  43  -0.907  10.618   4.669
  307   HH21  ARG  43          HH21      ARG  43   2.333   9.659   3.752
  308   HH22  ARG  43          HH22      ARG  43   1.381  10.826   4.606
  309    H    CYS  44           HN       CYS  44  -0.305   2.013   3.855
  310    HA   CYS  44           HA       CYS  44  -0.000   0.827   1.252
  311    HB2  CYS  44           HB2      CYS  44   0.046  -0.603   3.209
  312    HB3  CYS  44           HB3      CYS  44  -1.560  -0.117   3.657
  313    H    CYS  45           HN       CYS  45  -1.044   2.091  -0.191
  314    HA   CYS  45           HA       CYS  45  -3.820   2.768   0.128
  315    HB2  CYS  45           HB2      CYS  45  -1.988   2.924  -2.275
  316    HB3  CYS  45           HB3      CYS  45  -3.606   3.623  -2.184
  317    H    ARG  46           HN       ARG  46  -4.651   0.712   0.544
  318    HA   ARG  46           HA       ARG  46  -4.462  -1.441  -1.305
  319    HB2  ARG  46           HB2      ARG  46  -6.496  -0.890   0.863
  320    HB3  ARG  46           HB3      ARG  46  -6.329  -2.412   0.001
  321    HG2  ARG  46           HG2      ARG  46  -4.023  -2.599   0.900
  322    HG3  ARG  46           HG3      ARG  46  -4.320  -1.144   1.850
  323    HD2  ARG  46           HD2      ARG  46  -4.721  -2.939   3.312
  324    HD3  ARG  46           HD3      ARG  46  -6.317  -2.369   2.826
  325    HE   ARG  46           HE       ARG  46  -5.681  -4.400   1.086
  326   HH11  ARG  46          HH11      ARG  46  -5.966  -4.023   4.557
  327   HH12  ARG  46          HH12      ARG  46  -6.552  -5.635   4.820
  328   HH21  ARG  46          HH21      ARG  46  -6.469  -6.549   1.438
  329   HH22  ARG  46          HH22      ARG  46  -6.840  -7.071   3.045
  330    HA   PRO  47           HA       PRO  47  -7.368  -0.059  -4.422
  331    HB2  PRO  47           HB2      PRO  47  -7.787  -3.014  -4.527
  332    HB3  PRO  47           HB3      PRO  47  -7.512  -1.877  -5.850
  333    HG2  PRO  47           HG2      PRO  47  -5.565  -3.492  -5.008
  334    HG3  PRO  47           HG3      PRO  47  -5.219  -1.825  -5.500
  335    HD2  PRO  47           HD2      PRO  47  -5.345  -3.011  -2.773
  336    HD3  PRO  47           HD3      PRO  47  -4.331  -1.690  -3.385
  337    H    GLY  48           HN       GLY  48  -9.399   0.587  -3.993
  338    HA2  GLY  48           HA2      GLY  48 -10.787  -0.358  -1.693
  339    HA3  GLY  48           HA1      GLY  48 -11.408   0.780  -2.877
  340    H    ARG  49           HN       ARG  49 -10.291  -2.315  -3.880
  341    HA   ARG  49           HA       ARG  49 -12.809  -3.646  -3.602
  342    HB2  ARG  49           HB2      ARG  49 -13.056  -4.160  -6.017
  343    HB3  ARG  49           HB3      ARG  49 -13.270  -2.455  -5.672
  344    HG2  ARG  49           HG2      ARG  49 -10.614  -3.478  -6.552
  345    HG3  ARG  49           HG3      ARG  49 -11.897  -3.178  -7.723
  346    HD2  ARG  49           HD2      ARG  49 -12.071  -0.857  -6.827
  347    HD3  ARG  49           HD3      ARG  49 -10.660  -1.193  -5.824
  348    HE   ARG  49           HE       ARG  49  -9.508  -1.664  -8.034
  349   HH11  ARG  49          HH11      ARG  49 -12.125   0.650  -7.703
  350   HH12  ARG  49          HH12      ARG  49 -11.632   1.590  -9.076
  351   HH21  ARG  49          HH21      ARG  49  -8.841  -0.406  -9.814
  352   HH22  ARG  49          HH22      ARG  49  -9.751   1.004 -10.258
  353    H    AAR  50           HN       AAR  50 -10.029  -3.861  -2.774
  354    HA   AAR  50           HA       AAR  50  -8.534  -5.699  -4.143
  355    HB2  AAR  50           HB2      AAR  50  -7.216  -5.942  -2.211
  356    HB3  AAR  50           HB3      AAR  50  -7.813  -4.295  -2.195
  357    HG2  AAR  50           HG2      AAR  50  -8.936  -6.564  -0.563
  358    HG3  AAR  50           HG3      AAR  50  -7.810  -5.345   0.025
  359    HD2  AAR  50           HD2      AAR  50  -9.561  -3.630  -0.652
  360    HD3  AAR  50           HD3      AAR  50 -10.666  -4.991  -0.831
  361    HE   AAR  50           HE       AAR  50  -9.340  -4.197   1.685
  362   HH11  AAR  50          HH21      AAR  50 -10.524  -4.657   3.581
  363   HH12  AAR  50          HH22      AAR  50 -12.071  -5.431   3.467
  364   HH21  AAR  50          HH11      AAR  50 -12.029  -5.683  -0.017
  365   HH22  AAR  50          HH12      AAR  50 -12.923  -6.008   1.429
  366   HNT1  AAR  50          HNT1      AAR  50 -11.250  -6.261  -1.986
  367   HNT2  AAR  50          HNT2      AAR  50 -11.255  -7.998  -2.115