*HEADER    ANTIMICROBIAL PROTEIN                   08-JAN-19   6QET              
*TITLE     [41-82]GGA-AVBD11                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GALLINACIN-11;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: GAL-11,BETA-DEFENSIN 11,VITELLINE MEMBRANE OUTER LAYER      
*COMPND   5 PROTEIN 2,VITELLINE MEMBRANE OUTER LAYER PROTEIN II,VMOII;           
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: GALLUS GALLUS;                                  
*SOURCE   4 ORGANISM_COMMON: CHICKEN;                                            
*SOURCE   5 ORGANISM_TAXID: 9031                                                 
*KEYWDS    NEW FOLD, DOUBLE-BETA-DEFENSIN, DEFENSIN, AVIAN EGG, ANTIMICROBIAL    
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    H.MEUDAL,K.LOTH,A.F.DELMAS,C.LANDON                                   
*REVDAT   1   18-DEC-19 6QET    0                                                
# Restraints file 1: 1_2.tbl
 assi 
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 25   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 38   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 27   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 39   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 15   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 15   and name  N   ))
   (( segid "   A" and resid 39   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 39   and name  N   ))
   (( segid "   A" and resid 15   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 38   and name  N   ))
   (( segid "   A" and resid 27   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 40   and name  N   ))
   (( segid "   A" and resid 25   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 27   and name  N   ))
   (( segid "   A" and resid 38   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 40   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 25   and name  N   ))
   (( segid "   A" and resid 40   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 37   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 17   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 17   and name  N   ))
   (( segid "   A" and resid 37   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 37   and name  N   ))
   (( segid "   A" and resid 17   and name  O   ))
      3.200     0.684     0.727

# Restraints file 2: disu.tbl
assign (segid "   A" and resid 9 and name SG) (segid "   A" and not resid 9 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 16 and name SG) (segid "   A" and not resid 16 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 23 and name SG) (segid "   A" and not resid 23 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 31 and name SG) (segid "   A" and not resid 31 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 38 and name SG) (segid "   A" and not resid 38 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

# Restraints file 3: ambig.tbl
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   19 and name  HB2) 3.865 1.868 1.868 weight 1.000 ! spec=Noesy, no=79, id=78, vol=3.239270e+05
    or (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   19 and name  HB1)
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   34 and name  HB2) 3.224 1.300 1.300 weight 1.000 ! spec=Noesy, no=81, id=80, vol=9.618350e+05
    or (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   34 and name  HB1)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   17 and name HG11) 2.941 1.081 1.081 weight 1.000 ! spec=Noesy, no=89, id=88, vol=1.939691e+06
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   17 and name HG13)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   17 and name HG12)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   17 and name HG23)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   17 and name HG21)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   17 and name HG22)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name HD11) 3.010 1.133 1.133 weight 1.000 ! spec=Noesy, no=94, id=93, vol=1.692590e+06
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name HD12)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name HD23)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name HD22)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name HD21)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   17 and name HG23) 3.342 1.396 1.396 weight 1.000 ! spec=Noesy, no=96, id=95, vol=9.136630e+05
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   17 and name HG21)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   17 and name HG22)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   17 and name HG11)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   17 and name HG13)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   17 and name HG12)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HG1) 2.836 2.836 3.164 weight 1.000 ! spec=Noesy, no=101, id=100, vol=2.338792e+06
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HG2)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name   HG) 3.274 1.340 1.340 weight 1.000 ! spec=Noesy, no=106, id=105, vol=1.057776e+06
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HB2)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HG1) 2.801 0.981 0.981 weight 1.000 ! spec=Noesy, no=113, id=112, vol=2.554380e+06
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HG2)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB1) 2.985 1.113 1.113 weight 1.000 ! spec=Noesy, no=117, id=116, vol=1.824226e+06
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB2)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name  HB1) 2.861 1.023 1.023 weight 1.000 ! spec=Noesy, no=118, id=117, vol=2.275431e+06
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   27 and name  HB1) 3.213 1.290 1.290 weight 1.000 ! spec=Noesy, no=119, id=118, vol=1.114970e+06
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   25 and name  HB1) 2.835 1.005 1.005 weight 1.000 ! spec=Noesy, no=120, id=119, vol=2.358036e+06
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   27 and name  HG1)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   27 and name  HB2) 4.193 2.197 2.197 weight 1.000 ! spec=Noesy, no=128, id=127, vol=2.244130e+05
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   27 and name  HB1)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   39 and name  HB1) 3.871 1.873 1.873 weight 1.000 ! spec=Noesy, no=140, id=139, vol=3.536210e+05
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid    9 and name  HB2)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   39 and name  HB1) 3.335 1.391 1.391 weight 1.000 ! spec=Noesy, no=148, id=147, vol=9.017590e+05
    or (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   39 and name  HB1)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   38 and name  HB2) 4.212 2.217 2.217 weight 1.000 ! spec=Noesy, no=153, id=152, vol=2.100980e+05
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   15 and name  HB2)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HE2) 4.049 2.049 2.049 weight 1.000 ! spec=Noesy, no=159, id=158, vol=2.803930e+05
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HE1)
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   38 and name  HB2)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   36 and name  HB2) 4.419 2.441 2.441 weight 1.000 ! spec=Noesy, no=165, id=164, vol=1.709190e+05
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   39 and name  HB2)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   36 and name   HA) 4.175 2.179 2.179 weight 1.000 ! spec=Noesy, no=209, id=208, vol=2.439200e+05
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   26 and name   HA)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HA) 2.796 0.977 0.977 weight 1.000 ! spec=Noesy, no=242, id=241, vol=4.708249e+06
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name   HA)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name   HB) 2.708 0.916 0.916 weight 1.000 ! spec=Noesy, no=247, id=246, vol=3.045183e+06
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HB)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HD2) 3.740 1.748 1.748 weight 1.000 ! spec=Noesy, no=264, id=263, vol=4.502310e+05
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HD1)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HD1) 3.616 1.635 1.635 weight 1.000 ! spec=Noesy, no=273, id=272, vol=5.576760e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HD2)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HG1) 2.809 0.986 0.986 weight 1.000 ! spec=Noesy, no=308, id=307, vol=2.523071e+06
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB1)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB1) 2.466 0.760 0.760 weight 1.000 ! spec=Noesy, no=309, id=308, vol=5.272473e+06
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB2) 2.625 0.861 0.861 weight 1.000 ! spec=Noesy, no=310, id=309, vol=4.236198e+06
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB1)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HB2) 2.034 0.517 0.517 weight 1.000 ! spec=Noesy, no=311, id=310, vol=1.542284e+07
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HB1)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB2) 2.259 0.638 0.638 weight 1.000 ! spec=Noesy, no=318, id=317, vol=9.456260e+06
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB1)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HD1) 3.901 1.903 1.903 weight 1.000 ! spec=Noesy, no=319, id=318, vol=3.172460e+05
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HD2)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name  HB2) 3.429 1.470 1.470 weight 1.000 ! spec=Noesy, no=331, id=330, vol=7.493770e+05
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name  HB1)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name  HB1) 3.279 1.344 1.344 weight 1.000 ! spec=Noesy, no=337, id=336, vol=1.035615e+06
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name  HG1)
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name  HG2)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name  HG2) 3.440 1.479 1.479 weight 1.000 ! spec=Noesy, no=350, id=349, vol=7.460590e+05
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name  HG1)
assign (segid "   A" and resid    6 and name  HE2) (segid "   A" and resid   30 and name HD11) 2.500 0.781 0.781 weight 1.000 ! spec=Noesy, no=391, id=390, vol=4.671941e+06
    or (segid "   A" and resid    6 and name  HE2) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid    6 and name  HE2) (segid "   A" and resid   30 and name HD12)
    or (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid   30 and name HD11)
    or (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid   30 and name HD12)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name HG23)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name HG21)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name HG22)
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid   30 and name HD23) 2.908 1.057 1.057 weight 1.000 ! spec=Noesy, no=393, id=392, vol=1.942298e+06
    or (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid   30 and name HD22)
    or (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid   30 and name HD21)
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid   30 and name HD23)
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid   30 and name HD22)
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid   30 and name HD21)
    or (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid   30 and name HD11)
    or (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid   30 and name HD12)
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid   30 and name HD11)
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid   30 and name HD12)
assign (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   17 and name HG23) 3.269 1.336 1.336 weight 1.000 ! spec=Noesy, no=396, id=395, vol=9.695520e+05
    or (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   17 and name HG21)
    or (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   17 and name HG22)
    or (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   17 and name HG11)
    or (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   17 and name HG13)
    or (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   17 and name HG12)
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   17 and name HG11) 3.110 1.209 1.209 weight 1.000 ! spec=Noesy, no=397, id=396, vol=1.362574e+06
    or (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   17 and name HG13)
    or (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   17 and name HG12)
    or (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   17 and name HG23)
    or (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   17 and name HG21)
    or (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   17 and name HG22)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   37 and name HG23) 4.299 2.310 2.310 weight 1.000 ! spec=Noesy, no=400, id=399, vol=1.795070e+05
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   37 and name HG22)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   37 and name HG23)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   37 and name HG22)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HG1) 2.635 2.635 3.365 weight 1.000 ! spec=Noesy, no=404, id=403, vol=3.798135e+06
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HG2)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HG1) 3.721 1.730 1.730 weight 1.000 ! spec=Noesy, no=405, id=404, vol=4.656270e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HG2)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HD1) 3.955 1.955 1.955 weight 1.000 ! spec=Noesy, no=408, id=407, vol=2.795130e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HD2)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HD1) 4.430 2.454 2.454 weight 1.000 ! spec=Noesy, no=409, id=408, vol=1.798030e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HD2)
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid   12 and name  HD1) 3.396 1.442 1.442 weight 1.000 ! spec=Noesy, no=421, id=420, vol=6.499250e+05
    or (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid   12 and name  HD2)
assign (segid "   A" and resid   35 and name   HE) (segid "   A" and resid   35 and name  HG2) 3.289 1.352 1.352 weight 1.000 ! spec=Noesy, no=424, id=423, vol=9.148120e+05
    or (segid "   A" and resid   35 and name   HE) (segid "   A" and resid   35 and name  HG1)
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   35 and name  HG1) 3.558 1.583 1.583 weight 1.000 ! spec=Noesy, no=425, id=424, vol=4.491720e+05
    or (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   35 and name  HG2)
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   34 and name  HB1) 2.724 0.927 0.927 weight 1.000 ! spec=Noesy, no=427, id=426, vol=2.586648e+06
    or (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB2) 2.863 1.024 1.024 weight 1.000 ! spec=Noesy, no=429, id=428, vol=2.363999e+06
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   34 and name  HB1) 4.140 2.142 2.142 weight 1.000 ! spec=Noesy, no=431, id=430, vol=2.561480e+05
    or (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   19 and name  HG2)
    or (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid   10 and name HE21) (segid "   A" and resid   10 and name  HB1) 3.361 1.412 1.412 weight 1.000 ! spec=Noesy, no=435, id=434, vol=7.374470e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   17 and name   HB)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HB1) 2.790 0.973 0.973 weight 1.000 ! spec=Noesy, no=436, id=435, vol=2.826968e+06
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HG2)
assign (segid "   A" and resid   27 and name HE21) (segid "   A" and resid   27 and name  HB2) 3.475 1.509 1.509 weight 1.000 ! spec=Noesy, no=440, id=439, vol=6.673020e+05
    or (segid "   A" and resid   27 and name HE21) (segid "   A" and resid   27 and name  HB1)
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   41 and name  HB2) 3.891 1.892 1.892 weight 1.000 ! spec=Noesy, no=448, id=447, vol=3.120830e+05
    or (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HB1) 3.472 1.506 1.506 weight 1.000 ! spec=Noesy, no=455, id=454, vol=7.022790e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HB2)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   40 and name  HE2) 4.260 2.269 2.269 weight 1.000 ! spec=Noesy, no=480, id=479, vol=2.065110e+05
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   40 and name  HE1)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid    7 and name  HB1) 4.207 2.212 2.212 weight 1.000 ! spec=Noesy, no=502, id=501, vol=2.295830e+05
    or (segid "   A" and resid    6 and name  HE2) (segid "   A" and resid    7 and name  HB1)
    or (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid    7 and name  HB1)
assign (segid "   A" and resid   35 and name   HE) (segid "   A" and resid   35 and name  HD1) 2.557 0.817 0.817 weight 1.000 ! spec=Noesy, no=507, id=506, vol=3.787772e+06
    or (segid "   A" and resid   35 and name   HE) (segid "   A" and resid   35 and name  HD2)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   36 and name  HB1) 3.745 1.753 1.753 weight 1.000 ! spec=Noesy, no=509, id=508, vol=4.516330e+05
    or (segid "   A" and resid   36 and name  HH2) (segid "   A" and resid   36 and name  HB1)
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   22 and name  HD1) 2.364 0.699 0.699 weight 1.000 ! spec=Noesy, no=511, id=510, vol=5.759675e+06
    or (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   22 and name  HD2)
assign (segid "   A" and resid   36 and name  HH2) (segid "   A" and resid   16 and name  HB1) 4.198 2.203 2.203 weight 1.000 ! spec=Noesy, no=521, id=520, vol=2.100850e+05
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   16 and name  HB1)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name   HA) 2.489 0.774 0.774 weight 1.000 ! spec=Noesy, no=564, id=563, vol=5.488922e+06
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name   HA)
assign (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   27 and name  HB1) 3.541 1.568 1.568 weight 1.000 ! spec=Noesy, no=606, id=605, vol=5.531250e+05
    or (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   12 and name  HD2) 3.800 1.805 1.805 weight 1.000 ! spec=Noesy, no=609, id=608, vol=3.967410e+05
    or (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   12 and name  HD1)
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   38 and name  HB2) 3.680 1.693 1.693 weight 1.000 ! spec=Noesy, no=633, id=632, vol=5.131520e+05
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   15 and name  HB2)
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name HG11) 2.838 1.007 1.007 weight 1.000 ! spec=Noesy, no=638, id=637, vol=2.477788e+06
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name HG13)
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name HG12)
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name HG23)
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name HG21)
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name HG22)
assign (segid "   A" and resid   13 and name  HA1) (segid "   A" and resid   12 and name   HA) 3.752 1.760 1.760 weight 1.000 ! spec=Noesy, no=643, id=642, vol=4.116570e+05
    or (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   11 and name   HA)
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   27 and name   HA) 3.797 1.802 1.802 weight 1.000 ! spec=Noesy, no=673, id=672, vol=3.776590e+05
    or (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   26 and name   HA)
assign (segid "   A" and resid   35 and name  HD1) (segid "   A" and resid   35 and name   HA) 3.118 1.215 1.215 weight 1.000 ! spec=Noesy, no=686, id=685, vol=1.313268e+06
    or (segid "   A" and resid   35 and name  HD2) (segid "   A" and resid   35 and name   HA)
assign (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    6 and name   HA) 4.757 2.829 2.829 weight 1.000 ! spec=Noesy, no=688, id=687, vol=1.734510e+05
    or (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   41 and name   HA)
assign (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   22 and name   HA) 3.099 1.200 1.200 weight 1.000 ! spec=Noesy, no=690, id=689, vol=1.375130e+06
    or (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name   HA) 3.208 1.287 1.287 weight 1.000 ! spec=Noesy, no=701, id=700, vol=2.742413e+06
    or (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   37 and name   HB) 3.806 1.810 1.810 weight 1.000 ! spec=Noesy, no=707, id=706, vol=4.243340e+05
    or (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   37 and name   HB)
    or (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   37 and name   HB)
assign (segid "   A" and resid   27 and name  HG1) (segid "   A" and resid   27 and name   HA) 2.680 0.898 0.898 weight 1.000 ! spec=Noesy, no=743, id=742, vol=3.480153e+06
    or (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name   HA)
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   27 and name   HA) 2.339 0.684 0.684 weight 1.000 ! spec=Noesy, no=744, id=743, vol=7.762578e+06
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   27 and name   HA)
assign (segid "   A" and resid   41 and name  HG1) (segid "   A" and resid   41 and name   HA) 2.692 0.906 0.906 weight 1.000 ! spec=Noesy, no=745, id=744, vol=3.109347e+06
    or (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   41 and name  HG2) (segid "   A" and resid   41 and name   HA) 2.977 1.108 1.108 weight 1.000 ! spec=Noesy, no=746, id=745, vol=1.833657e+06
    or (segid "   A" and resid   25 and name  HG1) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name   HA) 2.366 0.700 0.700 weight 1.000 ! spec=Noesy, no=748, id=747, vol=7.109694e+06
    or (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   40 and name   HA) 3.035 1.152 1.152 weight 1.000 ! spec=Noesy, no=759, id=758, vol=1.626028e+06
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   28 and name   HA)
    or (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   28 and name   HA)
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name   HA) 2.387 0.712 0.712 weight 1.000 ! spec=Noesy, no=761, id=760, vol=6.923787e+06
    or (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   42 and name   HB) (segid "   A" and resid   41 and name   HA) 3.836 1.839 1.839 weight 1.000 ! spec=Noesy, no=763, id=762, vol=4.021380e+05
    or (segid "   A" and resid   40 and name  HB2) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   33 and name   HA) 3.409 1.453 1.453 weight 1.000 ! spec=Noesy, no=764, id=763, vol=7.798790e+05
    or (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   33 and name   HA)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   12 and name   HA) 2.687 0.903 0.903 weight 1.000 ! spec=Noesy, no=769, id=768, vol=3.353987e+06
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   12 and name   HA)
assign (segid "   A" and resid   40 and name  HB1) (segid "   A" and resid   25 and name   HA) 3.896 1.897 1.897 weight 1.000 ! spec=Noesy, no=772, id=771, vol=4.123860e+05
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   30 and name   HA) 2.801 0.981 0.981 weight 1.000 ! spec=Noesy, no=773, id=772, vol=2.674509e+06
    or (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   30 and name   HA)
assign (segid "   A" and resid   28 and name   HG) (segid "   A" and resid   27 and name   HA) 3.514 1.544 1.544 weight 1.000 ! spec=Noesy, no=776, id=775, vol=7.255510e+05
    or (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   27 and name   HA)
assign (segid "   A" and resid   40 and name  HG1) (segid "   A" and resid   26 and name   HA) 4.087 2.088 2.088 weight 1.000 ! spec=Noesy, no=779, id=778, vol=2.630300e+05
    or (segid "   A" and resid   40 and name  HG1) (segid "   A" and resid   27 and name   HA)
    or (segid "   A" and resid   40 and name  HG2) (segid "   A" and resid   26 and name   HA)
    or (segid "   A" and resid   40 and name  HG2) (segid "   A" and resid   27 and name   HA)
assign (segid "   A" and resid   40 and name  HG2) (segid "   A" and resid   41 and name   HA) 4.059 2.060 2.060 weight 1.000 ! spec=Noesy, no=780, id=779, vol=2.920720e+05
    or (segid "   A" and resid   40 and name  HG1) (segid "   A" and resid   41 and name   HA)
    or (segid "   A" and resid   40 and name  HG2) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   40 and name  HG2) (segid "   A" and resid   40 and name   HA) 2.733 0.934 0.934 weight 1.000 ! spec=Noesy, no=787, id=786, vol=3.121688e+06
    or (segid "   A" and resid   40 and name  HG1) (segid "   A" and resid   40 and name   HA)
assign (segid "   A" and resid   17 and name HG11) (segid "   A" and resid   38 and name   HA) 3.038 1.154 1.154 weight 1.000 ! spec=Noesy, no=789, id=788, vol=1.329491e+06
    or (segid "   A" and resid   17 and name HG13) (segid "   A" and resid   38 and name   HA)
    or (segid "   A" and resid   17 and name HG12) (segid "   A" and resid   38 and name   HA)
    or (segid "   A" and resid   17 and name HG23) (segid "   A" and resid   38 and name   HA)
    or (segid "   A" and resid   17 and name HG21) (segid "   A" and resid   38 and name   HA)
    or (segid "   A" and resid   17 and name HG22) (segid "   A" and resid   38 and name   HA)
assign (segid "   A" and resid   24 and name HD11) (segid "   A" and resid   41 and name   HA) 4.056 2.057 2.057 weight 1.000 ! spec=Noesy, no=796, id=795, vol=2.528120e+05
    or (segid "   A" and resid   24 and name HD12) (segid "   A" and resid   41 and name   HA)
    or (segid "   A" and resid   24 and name HD13) (segid "   A" and resid   41 and name   HA)
    or (segid "   A" and resid   24 and name HD11) (segid "   A" and resid   25 and name   HA)
    or (segid "   A" and resid   24 and name HD12) (segid "   A" and resid   25 and name   HA)
    or (segid "   A" and resid   24 and name HD13) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   30 and name HD23) (segid "   A" and resid   30 and name   HA) 2.208 0.609 0.609 weight 1.000 ! spec=Noesy, no=797, id=796, vol=1.016804e+07
    or (segid "   A" and resid   30 and name HD22) (segid "   A" and resid   30 and name   HA)
    or (segid "   A" and resid   30 and name HD21) (segid "   A" and resid   30 and name   HA)
    or (segid "   A" and resid   30 and name HD11) (segid "   A" and resid   30 and name   HA)
    or (segid "   A" and resid   30 and name HD13) (segid "   A" and resid   30 and name   HA)
    or (segid "   A" and resid   30 and name HD12) (segid "   A" and resid   30 and name   HA)
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name   HA) 2.559 0.818 0.818 weight 1.000 ! spec=Noesy, no=802, id=801, vol=4.699507e+06
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   35 and name   HA) 4.088 2.089 2.089 weight 1.000 ! spec=Noesy, no=808, id=807, vol=2.837880e+05
    or (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   35 and name   HA)
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   20 and name   HA) 3.901 1.902 1.902 weight 1.000 ! spec=Noesy, no=809, id=808, vol=3.520650e+05
    or (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   20 and name   HA)
    or (segid "   A" and resid   41 and name  HG1) (segid "   A" and resid   42 and name   HA)
assign (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   34 and name   HA) 2.273 0.646 0.646 weight 1.000 ! spec=Noesy, no=818, id=817, vol=9.274302e+06
    or (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name   HA)
    or (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   20 and name   HA)
assign (segid "   A" and resid   24 and name   HG) (segid "   A" and resid   42 and name   HA) 3.203 1.282 1.282 weight 1.000 ! spec=Noesy, no=821, id=820, vol=1.144303e+06
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   42 and name   HA)
assign (segid "   A" and resid   35 and name  HG2) (segid "   A" and resid   35 and name   HA) 2.499 0.781 0.781 weight 1.000 ! spec=Noesy, no=822, id=821, vol=5.163294e+06
    or (segid "   A" and resid   35 and name  HG1) (segid "   A" and resid   35 and name   HA)
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   29 and name  HA1) 3.819 1.823 1.823 weight 1.000 ! spec=Noesy, no=825, id=824, vol=4.075220e+05
    or (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   29 and name  HA1)
assign (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   29 and name  HA1) 3.607 1.626 1.626 weight 1.000 ! spec=Noesy, no=826, id=825, vol=6.049130e+05
    or (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   29 and name  HA1)
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   29 and name  HA1) 3.798 1.803 1.803 weight 1.000 ! spec=Noesy, no=827, id=826, vol=4.273810e+05
    or (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   29 and name  HA1)
assign (segid "   A" and resid   20 and name  HG2) (segid "   A" and resid   20 and name   HA) 2.821 0.995 0.995 weight 1.000 ! spec=Noesy, no=829, id=828, vol=2.527657e+06
    or (segid "   A" and resid   20 and name  HG1) (segid "   A" and resid   20 and name   HA)
assign (segid "   A" and resid   30 and name HD23) (segid "   A" and resid    8 and name   HA) 2.319 0.672 0.672 weight 1.000 ! spec=Noesy, no=834, id=833, vol=7.412325e+06
    or (segid "   A" and resid   30 and name HD22) (segid "   A" and resid    8 and name   HA)
    or (segid "   A" and resid   30 and name HD21) (segid "   A" and resid    8 and name   HA)
    or (segid "   A" and resid   28 and name HD23) (segid "   A" and resid   28 and name   HA)
    or (segid "   A" and resid   28 and name HD22) (segid "   A" and resid   28 and name   HA)
    or (segid "   A" and resid   28 and name HD21) (segid "   A" and resid   28 and name   HA)
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   32 and name   HA) 3.585 1.607 1.607 weight 1.000 ! spec=Noesy, no=836, id=835, vol=5.188520e+05
    or (segid "   A" and resid   30 and name HD11) (segid "   A" and resid   32 and name   HA)
    or (segid "   A" and resid   30 and name HD13) (segid "   A" and resid   32 and name   HA)
    or (segid "   A" and resid   30 and name HD12) (segid "   A" and resid   32 and name   HA)
assign (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   29 and name  HA2) 3.652 1.667 1.667 weight 1.000 ! spec=Noesy, no=850, id=849, vol=5.476650e+05
    or (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   29 and name  HA2)
assign (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   29 and name  HA2) 3.540 1.567 1.567 weight 1.000 ! spec=Noesy, no=851, id=850, vol=6.364050e+05
    or (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   29 and name  HA2)
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   29 and name  HA2) 3.596 1.616 1.616 weight 1.000 ! spec=Noesy, no=852, id=851, vol=6.136480e+05
    or (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   29 and name  HA2)
assign (segid "   A" and resid   30 and name HD11) (segid "   A" and resid    4 and name  HB2) 3.780 1.786 1.786 weight 1.000 ! spec=Noesy, no=854, id=853, vol=4.161480e+05
    or (segid "   A" and resid   30 and name HD13) (segid "   A" and resid    4 and name  HB2)
    or (segid "   A" and resid   30 and name HD12) (segid "   A" and resid    4 and name  HB2)
    or (segid "   A" and resid   30 and name HD23) (segid "   A" and resid    4 and name  HB2)
    or (segid "   A" and resid   30 and name HD22) (segid "   A" and resid    4 and name  HB2)
    or (segid "   A" and resid   30 and name HD21) (segid "   A" and resid    4 and name  HB2)
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name  HD1) 2.886 1.041 1.041 weight 1.000 ! spec=Noesy, no=856, id=855, vol=2.240086e+06
    or (segid "   A" and resid   35 and name  HB1) (segid "   A" and resid   35 and name  HD1)
    or (segid "   A" and resid   35 and name  HB1) (segid "   A" and resid   35 and name  HD2)
assign (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   35 and name  HD1) 2.924 1.069 1.069 weight 1.000 ! spec=Noesy, no=860, id=859, vol=1.964015e+06
    or (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   35 and name  HD2)
assign (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   19 and name  HD1) 2.520 0.794 0.794 weight 1.000 ! spec=Noesy, no=864, id=862, vol=5.066986e+06
    or (segid "   A" and resid   19 and name  HG1) (segid "   A" and resid   19 and name  HD1)
assign (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   19 and name  HD1) 2.590 2.590 3.410 weight 1.000 ! spec=Noesy, no=865, id=863, vol=4.143672e+06
    or (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   19 and name  HD1)
assign (segid "   A" and resid   35 and name  HG1) (segid "   A" and resid   35 and name  HD1) 2.291 0.656 0.656 weight 1.000 ! spec=Noesy, no=866, id=864, vol=8.731925e+06
    or (segid "   A" and resid   35 and name  HG1) (segid "   A" and resid   35 and name  HD2)
    or (segid "   A" and resid   35 and name  HG2) (segid "   A" and resid   35 and name  HD1)
    or (segid "   A" and resid   35 and name  HG2) (segid "   A" and resid   35 and name  HD2)
assign (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid    7 and name  HB2) 3.463 1.499 1.499 weight 1.000 ! spec=Noesy, no=868, id=865, vol=7.318810e+05
    or (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid    7 and name  HB2)
assign (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HD1) 2.663 0.886 0.886 weight 1.000 ! spec=Noesy, no=870, id=867, vol=3.636589e+06
    or (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HD2)
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HD1) 2.884 1.039 1.039 weight 1.000 ! spec=Noesy, no=871, id=868, vol=2.225502e+06
    or (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HD2)
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name  HD2) 3.326 1.383 1.383 weight 1.000 ! spec=Noesy, no=877, id=874, vol=8.668360e+05
    or (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name  HD2)
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   40 and name  HE2) 3.597 1.617 1.617 weight 1.000 ! spec=Noesy, no=884, id=881, vol=5.860340e+05
    or (segid "   A" and resid   27 and name  HG1) (segid "   A" and resid   38 and name  HB2)
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   38 and name  HB2) 3.502 1.533 1.533 weight 1.000 ! spec=Noesy, no=885, id=882, vol=6.716880e+05
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   38 and name  HB2)
assign (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   34 and name  HE2) 3.257 1.326 1.326 weight 1.000 ! spec=Noesy, no=886, id=883, vol=1.069913e+06
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   34 and name  HE1)
    or (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   34 and name  HE2)
    or (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   34 and name  HE1)
assign (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   19 and name  HD2) 2.782 0.968 0.968 weight 1.000 ! spec=Noesy, no=887, id=884, vol=2.858365e+06
    or (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   19 and name  HD2)
assign (segid "   A" and resid   40 and name  HB1) (segid "   A" and resid   40 and name  HE1) 3.669 1.682 1.682 weight 1.000 ! spec=Noesy, no=889, id=886, vol=5.370660e+05
    or (segid "   A" and resid   40 and name  HB1) (segid "   A" and resid   40 and name  HE2)
assign (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   12 and name  HE2) 2.798 0.978 0.978 weight 1.000 ! spec=Noesy, no=890, id=887, vol=2.498032e+06
    or (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   12 and name  HE2)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   12 and name  HE1) 2.528 0.799 0.799 weight 1.000 ! spec=Noesy, no=891, id=888, vol=4.599880e+06
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   12 and name  HE1)
assign (segid "   A" and resid   40 and name  HD2) (segid "   A" and resid   40 and name  HE1) 2.416 0.730 0.730 weight 1.000 ! spec=Noesy, no=894, id=891, vol=6.136554e+06
    or (segid "   A" and resid   40 and name  HD2) (segid "   A" and resid   40 and name  HE2)
    or (segid "   A" and resid   40 and name  HD1) (segid "   A" and resid   40 and name  HE1)
    or (segid "   A" and resid   40 and name  HD1) (segid "   A" and resid   40 and name  HE2)
assign (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name  HE1) 3.613 1.632 1.632 weight 1.000 ! spec=Noesy, no=895, id=892, vol=5.894240e+05
    or (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name  HE2)
assign (segid "   A" and resid   40 and name  HG1) (segid "   A" and resid   40 and name  HE1) 2.741 0.939 0.939 weight 1.000 ! spec=Noesy, no=896, id=893, vol=3.017413e+06
    or (segid "   A" and resid   40 and name  HG1) (segid "   A" and resid   40 and name  HE2)
    or (segid "   A" and resid   40 and name  HG2) (segid "   A" and resid   40 and name  HE1)
    or (segid "   A" and resid   40 and name  HG2) (segid "   A" and resid   40 and name  HE2)
assign (segid "   A" and resid   20 and name  HG1) (segid "   A" and resid   20 and name  HE1) 3.130 1.225 1.225 weight 1.000 ! spec=Noesy, no=900, id=897, vol=1.302085e+06
    or (segid "   A" and resid   20 and name  HG1) (segid "   A" and resid   20 and name  HE2)
    or (segid "   A" and resid   20 and name  HG2) (segid "   A" and resid   20 and name  HE1)
    or (segid "   A" and resid   20 and name  HG2) (segid "   A" and resid   20 and name  HE2)
assign (segid "   A" and resid   17 and name HG11) (segid "   A" and resid   18 and name  HB1) 3.974 1.974 1.974 weight 1.000 ! spec=Noesy, no=908, id=905, vol=2.920470e+05
    or (segid "   A" and resid   17 and name HG13) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   17 and name HG12) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   17 and name HG23) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   17 and name HG21) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   17 and name HG22) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   18 and name  HB1)
assign (segid "   A" and resid   17 and name HG11) (segid "   A" and resid   16 and name  HB1) 4.079 2.080 2.080 weight 1.000 ! spec=Noesy, no=909, id=906, vol=2.430280e+05
    or (segid "   A" and resid   17 and name HG13) (segid "   A" and resid   16 and name  HB1)
    or (segid "   A" and resid   17 and name HG12) (segid "   A" and resid   16 and name  HB1)
    or (segid "   A" and resid   17 and name HG23) (segid "   A" and resid   16 and name  HB1)
    or (segid "   A" and resid   17 and name HG21) (segid "   A" and resid   16 and name  HB1)
    or (segid "   A" and resid   17 and name HG22) (segid "   A" and resid   16 and name  HB1)
assign (segid "   A" and resid   42 and name HG11) (segid "   A" and resid   22 and name  HD1) 4.077 2.078 2.078 weight 1.000 ! spec=Noesy, no=911, id=908, vol=2.638770e+05
    or (segid "   A" and resid   42 and name HG11) (segid "   A" and resid   22 and name  HD2)
    or (segid "   A" and resid   42 and name HG11) (segid "   A" and resid   39 and name  HB2)
assign (segid "   A" and resid   24 and name HD11) (segid "   A" and resid   22 and name  HD2) 3.744 1.752 1.752 weight 1.000 ! spec=Noesy, no=912, id=909, vol=4.457210e+05
    or (segid "   A" and resid   24 and name HD12) (segid "   A" and resid   22 and name  HD2)
    or (segid "   A" and resid   24 and name HD13) (segid "   A" and resid   22 and name  HD2)
    or (segid "   A" and resid   24 and name HD11) (segid "   A" and resid   22 and name  HD1)
    or (segid "   A" and resid   24 and name HD12) (segid "   A" and resid   22 and name  HD1)
    or (segid "   A" and resid   24 and name HD13) (segid "   A" and resid   22 and name  HD1)
assign (segid "   A" and resid   24 and name HD21) (segid "   A" and resid   22 and name  HD2) 3.147 1.238 1.238 weight 1.000 ! spec=Noesy, no=914, id=911, vol=1.424319e+06
    or (segid "   A" and resid   24 and name HD23) (segid "   A" and resid   22 and name  HD2)
    or (segid "   A" and resid   24 and name HD22) (segid "   A" and resid   22 and name  HD2)
    or (segid "   A" and resid   24 and name HD21) (segid "   A" and resid   22 and name  HD1)
    or (segid "   A" and resid   24 and name HD23) (segid "   A" and resid   22 and name  HD1)
    or (segid "   A" and resid   24 and name HD22) (segid "   A" and resid   22 and name  HD1)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   39 and name  HB2) 3.101 1.202 1.202 weight 1.000 ! spec=Noesy, no=915, id=912, vol=1.364331e+06
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   39 and name  HB2)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   39 and name  HB2)
    or (segid "   A" and resid   42 and name HD13) (segid "   A" and resid   39 and name  HB2)
    or (segid "   A" and resid   42 and name HD12) (segid "   A" and resid   39 and name  HB2)
    or (segid "   A" and resid   42 and name HD11) (segid "   A" and resid   39 and name  HB2)
assign (segid "   A" and resid   28 and name HD23) (segid "   A" and resid   38 and name  HB2) 2.973 2.973 3.027 weight 1.000 ! spec=Noesy, no=917, id=914, vol=1.732402e+06
    or (segid "   A" and resid   28 and name HD22) (segid "   A" and resid   38 and name  HB2)
    or (segid "   A" and resid   28 and name HD21) (segid "   A" and resid   38 and name  HB2)
    or (segid "   A" and resid   17 and name HG11) (segid "   A" and resid   38 and name  HB2)
    or (segid "   A" and resid   17 and name HG13) (segid "   A" and resid   38 and name  HB2)
    or (segid "   A" and resid   17 and name HG12) (segid "   A" and resid   38 and name  HB2)
    or (segid "   A" and resid   17 and name HG23) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   17 and name HG21) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   17 and name HG22) (segid "   A" and resid   15 and name  HB2)
assign (segid "   A" and resid   30 and name HD23) (segid "   A" and resid    6 and name  HB1) 3.138 1.231 1.231 weight 1.000 ! spec=Noesy, no=918, id=915, vol=1.291098e+06
    or (segid "   A" and resid   30 and name HD22) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid   30 and name HD21) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid   30 and name HD11) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid   30 and name HD13) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid   30 and name HD12) (segid "   A" and resid    6 and name  HB1)
assign (segid "   A" and resid   17 and name HG23) (segid "   A" and resid   39 and name  HB1) 2.280 0.650 0.650 weight 1.000 ! spec=Noesy, no=922, id=919, vol=8.610679e+06
    or (segid "   A" and resid   17 and name HG21) (segid "   A" and resid   39 and name  HB1)
    or (segid "   A" and resid   17 and name HG22) (segid "   A" and resid   39 and name  HB1)
    or (segid "   A" and resid   17 and name HG11) (segid "   A" and resid   39 and name  HB1)
    or (segid "   A" and resid   17 and name HG13) (segid "   A" and resid   39 and name  HB1)
    or (segid "   A" and resid   17 and name HG12) (segid "   A" and resid   39 and name  HB1)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   39 and name  HB1) 3.420 1.462 1.462 weight 1.000 ! spec=Noesy, no=924, id=921, vol=7.956590e+05
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   39 and name  HB1)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   39 and name  HB1)
    or (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   23 and name  HB1)
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   23 and name  HB1)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   23 and name  HB1)
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name  HG2) 2.596 0.842 0.842 weight 1.000 ! spec=Noesy, no=934, id=931, vol=4.272239e+06
    or (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name  HG2)
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name  HG1) 2.394 0.717 0.717 weight 1.000 ! spec=Noesy, no=935, id=932, vol=6.756950e+06
    or (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name  HG1)
assign (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   27 and name  HG2) 2.191 0.600 0.600 weight 1.000 ! spec=Noesy, no=938, id=935, vol=1.122516e+07
    or (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   27 and name  HG2)
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   19 and name  HB2) 1.951 1.951 4.049 weight 1.000 ! spec=Noesy, no=940, id=937, vol=2.283701e+07
    or (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   19 and name  HB1)
assign (segid "   A" and resid   35 and name  HG1) (segid "   A" and resid   35 and name  HB1) 2.541 0.807 0.807 weight 1.000 ! spec=Noesy, no=941, id=938, vol=4.936749e+06
    or (segid "   A" and resid   35 and name  HG2) (segid "   A" and resid   35 and name  HB1)
assign (segid "   A" and resid   40 and name  HD2) (segid "   A" and resid   25 and name  HG1) 3.730 1.739 1.739 weight 1.000 ! spec=Noesy, no=942, id=939, vol=5.041820e+05
    or (segid "   A" and resid   40 and name  HD1) (segid "   A" and resid   25 and name  HG1)
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   41 and name  HG1) 3.776 1.783 1.783 weight 1.000 ! spec=Noesy, no=943, id=940, vol=4.685220e+05
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   25 and name  HG2)
assign (segid "   A" and resid   35 and name  HG2) (segid "   A" and resid   35 and name  HB2) 2.360 0.696 0.696 weight 1.000 ! spec=Noesy, no=945, id=942, vol=7.252390e+06
    or (segid "   A" and resid   35 and name  HG1) (segid "   A" and resid   35 and name  HB2)
assign (segid "   A" and resid   40 and name  HD1) (segid "   A" and resid   25 and name  HB1) 3.277 1.342 1.342 weight 1.000 ! spec=Noesy, no=947, id=944, vol=1.023678e+06
    or (segid "   A" and resid   40 and name  HD2) (segid "   A" and resid   25 and name  HB1)
    or (segid "   A" and resid   40 and name  HD2) (segid "   A" and resid   27 and name  HG1)
assign (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   34 and name  HB1) 2.366 0.700 0.700 weight 1.000 ! spec=Noesy, no=948, id=945, vol=7.086917e+06
    or (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   34 and name  HD1) 1.961 0.480 0.480 weight 1.000 ! spec=Noesy, no=949, id=946, vol=2.246578e+07
    or (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   34 and name  HD2)
assign (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name  HD2) 2.195 0.602 0.602 weight 1.000 ! spec=Noesy, no=951, id=948, vol=1.062357e+07
    or (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name  HD1)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   12 and name  HB2) 2.720 0.925 0.925 weight 1.000 ! spec=Noesy, no=953, id=950, vol=3.130116e+06
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   12 and name  HB2)
assign (segid "   A" and resid   40 and name  HG1) (segid "   A" and resid   25 and name  HB1) 3.218 1.295 1.295 weight 1.000 ! spec=Noesy, no=956, id=953, vol=1.147683e+06
    or (segid "   A" and resid   40 and name  HG1) (segid "   A" and resid   27 and name  HG1)
    or (segid "   A" and resid   40 and name  HG2) (segid "   A" and resid   25 and name  HB1)
    or (segid "   A" and resid   40 and name  HG2) (segid "   A" and resid   27 and name  HG1)
assign (segid "   A" and resid   40 and name  HG1) (segid "   A" and resid   27 and name  HB2) 3.231 1.305 1.305 weight 1.000 ! spec=Noesy, no=957, id=954, vol=1.147398e+06
    or (segid "   A" and resid   40 and name  HG1) (segid "   A" and resid   27 and name  HB1)
    or (segid "   A" and resid   40 and name  HG2) (segid "   A" and resid   27 and name  HB2)
    or (segid "   A" and resid   40 and name  HG2) (segid "   A" and resid   27 and name  HB1)
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HB2) 2.373 0.704 0.704 weight 1.000 ! spec=Noesy, no=958, id=955, vol=7.272202e+06
    or (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HB1)
assign (segid "   A" and resid   40 and name  HG1) (segid "   A" and resid   40 and name  HB2) 2.553 0.815 0.815 weight 1.000 ! spec=Noesy, no=959, id=956, vol=4.596051e+06
    or (segid "   A" and resid   12 and name  HG2) (segid "   A" and resid   12 and name  HB1)
    or (segid "   A" and resid   40 and name  HG2) (segid "   A" and resid   40 and name  HB2)
assign (segid "   A" and resid   20 and name  HG1) (segid "   A" and resid   20 and name  HB2) 2.430 0.738 0.738 weight 1.000 ! spec=Noesy, no=960, id=957, vol=6.219698e+06
    or (segid "   A" and resid   20 and name  HG2) (segid "   A" and resid   20 and name  HB2)
assign (segid "   A" and resid   17 and name HG23) (segid "   A" and resid   26 and name  HG2) 3.916 1.917 1.917 weight 1.000 ! spec=Noesy, no=966, id=963, vol=3.048080e+05
    or (segid "   A" and resid   17 and name HG21) (segid "   A" and resid   26 and name  HG2)
    or (segid "   A" and resid   17 and name HG22) (segid "   A" and resid   26 and name  HG2)
    or (segid "   A" and resid   17 and name HG11) (segid "   A" and resid   26 and name  HG2)
    or (segid "   A" and resid   17 and name HG13) (segid "   A" and resid   26 and name  HG2)
    or (segid "   A" and resid   17 and name HG12) (segid "   A" and resid   26 and name  HG2)
assign (segid "   A" and resid   17 and name HG11) (segid "   A" and resid   17 and name   HB) 1.880 0.442 0.442 weight 1.000 ! spec=Noesy, no=970, id=967, vol=2.419500e+07
    or (segid "   A" and resid   17 and name HG13) (segid "   A" and resid   17 and name   HB)
    or (segid "   A" and resid   17 and name HG12) (segid "   A" and resid   17 and name   HB)
    or (segid "   A" and resid   17 and name HG23) (segid "   A" and resid   17 and name   HB)
    or (segid "   A" and resid   17 and name HG21) (segid "   A" and resid   17 and name   HB)
    or (segid "   A" and resid   17 and name HG22) (segid "   A" and resid   17 and name   HB)
assign (segid "   A" and resid   33 and name HD12) (segid "   A" and resid   32 and name  HG2) 2.948 1.087 1.087 weight 1.000 ! spec=Noesy, no=976, id=973, vol=1.808373e+06
    or (segid "   A" and resid   33 and name HD11) (segid "   A" and resid   32 and name  HG2)
    or (segid "   A" and resid   33 and name HD13) (segid "   A" and resid   32 and name  HG2)
    or (segid "   A" and resid   33 and name HD12) (segid "   A" and resid   32 and name  HB1)
    or (segid "   A" and resid   33 and name HD11) (segid "   A" and resid   32 and name  HB1)
    or (segid "   A" and resid   33 and name HD13) (segid "   A" and resid   32 and name  HB1)
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   32 and name  HG2) 4.143 2.145 2.145 weight 1.000 ! spec=Noesy, no=977, id=974, vol=2.405570e+05
    or (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   34 and name  HB1)
    or (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid   17 and name HG11) (segid "   A" and resid   21 and name   HB) 2.318 0.671 0.671 weight 1.000 ! spec=Noesy, no=979, id=976, vol=7.671056e+06
    or (segid "   A" and resid   17 and name HG13) (segid "   A" and resid   21 and name   HB)
    or (segid "   A" and resid   17 and name HG12) (segid "   A" and resid   21 and name   HB)
    or (segid "   A" and resid   17 and name HG23) (segid "   A" and resid   21 and name   HB)
    or (segid "   A" and resid   17 and name HG21) (segid "   A" and resid   21 and name   HB)
    or (segid "   A" and resid   17 and name HG22) (segid "   A" and resid   21 and name   HB)
assign (segid "   A" and resid   42 and name HD13) (segid "   A" and resid   42 and name   HB) 2.590 0.838 0.838 weight 1.000 ! spec=Noesy, no=982, id=979, vol=3.810349e+06
    or (segid "   A" and resid   42 and name HD12) (segid "   A" and resid   42 and name   HB)
    or (segid "   A" and resid   42 and name HD11) (segid "   A" and resid   42 and name   HB)
    or (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   42 and name   HB)
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   42 and name   HB)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   42 and name   HB)
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   28 and name  HB1) 1.576 0.310 0.310 weight 1.000 ! spec=Noesy, no=986, id=983, vol=8.840322e+07
    or (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name  HB2)
assign (segid "   A" and resid   40 and name  HG2) (segid "   A" and resid   40 and name  HD1) 2.072 0.537 0.537 weight 1.000 ! spec=Noesy, no=987, id=984, vol=1.637789e+07
    or (segid "   A" and resid   40 and name  HG2) (segid "   A" and resid   40 and name  HD2)
    or (segid "   A" and resid   40 and name  HG1) (segid "   A" and resid   40 and name  HD1)
    or (segid "   A" and resid   40 and name  HG1) (segid "   A" and resid   40 and name  HD2)
assign (segid "   A" and resid   20 and name  HG1) (segid "   A" and resid   20 and name  HB1) 2.440 0.744 0.744 weight 1.000 ! spec=Noesy, no=988, id=985, vol=6.135209e+06
    or (segid "   A" and resid   20 and name  HG2) (segid "   A" and resid   20 and name  HB1)
assign (segid "   A" and resid   30 and name HD11) (segid "   A" and resid   30 and name  HB1) 2.224 0.618 0.618 weight 1.000 ! spec=Noesy, no=990, id=987, vol=9.940554e+06
    or (segid "   A" and resid   30 and name HD13) (segid "   A" and resid   30 and name  HB1)
    or (segid "   A" and resid   30 and name HD12) (segid "   A" and resid   30 and name  HB1)
    or (segid "   A" and resid   28 and name HD23) (segid "   A" and resid   28 and name  HB2)
    or (segid "   A" and resid   28 and name HD22) (segid "   A" and resid   28 and name  HB2)
    or (segid "   A" and resid   28 and name HD21) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid   33 and name HD22) (segid "   A" and resid   32 and name  HG2) 3.321 1.378 1.378 weight 1.000 ! spec=Noesy, no=1010, id=1007, vol=9.159060e+05
    or (segid "   A" and resid   33 and name HD21) (segid "   A" and resid   32 and name  HG2)
    or (segid "   A" and resid   33 and name HD23) (segid "   A" and resid   32 and name  HG2)
    or (segid "   A" and resid   33 and name HD22) (segid "   A" and resid   32 and name  HB1)
    or (segid "   A" and resid   33 and name HD21) (segid "   A" and resid   32 and name  HB1)
    or (segid "   A" and resid   33 and name HD23) (segid "   A" and resid   32 and name  HB1)
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   39 and name   HA) 3.634 1.651 1.651 weight 1.000 ! spec=Noesy, no=1022, id=1019, vol=5.432430e+05
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   39 and name   HA)
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   31 and name   HA) 4.091 2.092 2.092 weight 1.000 ! spec=Noesy, no=1023, id=1020, vol=3.028210e+05
    or (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   31 and name   HA)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid    7 and name   HA) 4.129 2.131 2.131 weight 1.000 ! spec=Noesy, no=1026, id=1023, vol=2.511490e+05
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid    7 and name   HA)
assign (segid "   A" and resid   17 and name HG23) (segid "   A" and resid   39 and name   HA) 3.171 1.257 1.257 weight 1.000 ! spec=Noesy, no=1029, id=1026, vol=1.142656e+06
    or (segid "   A" and resid   17 and name HG21) (segid "   A" and resid   39 and name   HA)
    or (segid "   A" and resid   17 and name HG22) (segid "   A" and resid   39 and name   HA)
    or (segid "   A" and resid   17 and name HG11) (segid "   A" and resid   39 and name   HA)
    or (segid "   A" and resid   17 and name HG13) (segid "   A" and resid   39 and name   HA)
    or (segid "   A" and resid   17 and name HG12) (segid "   A" and resid   39 and name   HA)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    7 and name  HB1) 4.758 2.830 2.830 weight 1.000 ! spec=Noesy, no=1043, id=1040, vol=1.013760e+05
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   30 and name HD11) 3.674 1.688 1.688 weight 1.000 ! spec=Noesy, no=1046, id=1042, vol=4.663770e+05
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   30 and name HD12)
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   30 and name HD23)
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   30 and name HD22)
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   30 and name HD21)
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   42 and name   HA) 4.034 2.034 2.034 weight 1.000 ! spec=Noesy, no=1057, id=1053, vol=2.169710e+05
    or (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   42 and name   HA)
assign (segid "   A" and resid    6 and name   HZ) (segid "   A" and resid   32 and name   HA) 4.143 2.145 2.145 weight 1.000 ! spec=Noesy, no=1072, id=1068, vol=2.358430e+05
    or (segid "   A" and resid    6 and name   HZ) (segid "   A" and resid    3 and name   HB)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   30 and name  HB2) 4.304 2.316 2.316 weight 1.000 ! spec=Noesy, no=1088, id=1084, vol=2.090150e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   30 and name   HG)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HD1) 4.111 2.112 2.112 weight 1.000 ! spec=Noesy, no=1091, id=1087, vol=2.774750e+05
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HD2)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   33 and name   HG) 4.860 2.952 2.952 weight 1.000 ! spec=Noesy, no=1093, id=1089, vol=9.554700e+04
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   42 and name HG11)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HE2) 4.171 2.175 2.175 weight 1.000 ! spec=Noesy, no=1102, id=1098, vol=2.044490e+05
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HE1)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   19 and name  HG2) 4.304 2.315 2.315 weight 1.000 ! spec=Noesy, no=1106, id=1102, vol=1.883150e+05
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   19 and name  HG1)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   27 and name  HB2) 4.723 2.789 2.789 weight 1.000 ! spec=Noesy, no=1107, id=1103, vol=1.074420e+05
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   27 and name  HB1)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   26 and name  HB1) 4.526 2.561 2.561 weight 1.000 ! spec=Noesy, no=1108, id=1104, vol=1.393950e+05
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   27 and name  HG1)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   28 and name  HB1) 4.659 2.714 2.714 weight 1.000 ! spec=Noesy, no=1112, id=1108, vol=1.302000e+05
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   28 and name   HG)
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   35 and name  HG1) 4.481 2.510 2.510 weight 1.000 ! spec=Noesy, no=1114, id=1110, vol=1.306340e+05
    or (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   35 and name  HG2)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   19 and name  HD2) 4.574 2.616 2.616 weight 1.000 ! spec=Noesy, no=1117, id=1112, vol=1.196680e+05
    or (segid "   A" and resid   36 and name  HH2) (segid "   A" and resid   19 and name  HD2)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   17 and name HG11) 3.680 1.693 1.693 weight 1.000 ! spec=Noesy, no=1135, id=1130, vol=5.322180e+05
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   17 and name HG13)
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   17 and name HG12)
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   17 and name HG23)
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   17 and name HG21)
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   17 and name HG22)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   19 and name  HB1) 3.708 1.719 1.719 weight 1.000 ! spec=Noesy, no=1140, id=1135, vol=6.312330e+05
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   35 and name  HB1)
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   19 and name  HB2)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name  HB1) 3.401 1.446 1.446 weight 1.000 ! spec=Noesy, no=1143, id=1138, vol=1.000521e+06
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name  HB2)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   40 and name  HG1) 4.639 2.690 2.690 weight 1.000 ! spec=Noesy, no=1144, id=1139, vol=1.098910e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   40 and name  HG2)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   42 and name HD13) 4.143 2.146 2.146 weight 1.000 ! spec=Noesy, no=1146, id=1141, vol=2.760450e+05
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   42 and name HD12)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   42 and name HD11)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   21 and name HG22)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   21 and name HG23)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   32 and name  HB1) 4.747 2.817 2.817 weight 1.000 ! spec=Noesy, no=1158, id=1153, vol=1.065800e+05
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   32 and name  HG2)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   40 and name  HD2) 4.410 2.431 2.431 weight 1.000 ! spec=Noesy, no=1165, id=1160, vol=2.215940e+05
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   40 and name  HD1)
assign (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   42 and name   HB) 4.014 2.014 2.014 weight 1.000 ! spec=Noesy, no=1166, id=1161, vol=2.349000e+05
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   40 and name  HB2)
assign (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   42 and name   HA) 4.406 2.426 2.426 weight 1.000 ! spec=Noesy, no=1167, id=1162, vol=1.300630e+05
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   42 and name   HA)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   40 and name  HG2) 4.471 2.499 2.499 weight 1.000 ! spec=Noesy, no=1173, id=1168, vol=1.395860e+05
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   40 and name  HG1)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   17 and name HG23) 3.622 1.640 1.640 weight 1.000 ! spec=Noesy, no=1177, id=1172, vol=5.474990e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   17 and name HG21)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   17 and name HG22)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   17 and name HG11)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   17 and name HG13)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   17 and name HG12)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   30 and name HD11) 3.639 1.655 1.655 weight 1.000 ! spec=Noesy, no=1186, id=1180, vol=5.308130e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   30 and name HD12)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   30 and name HD23)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   30 and name HD22)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   30 and name HD21)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   12 and name  HE1) 4.559 2.598 2.598 weight 1.000 ! spec=Noesy, no=1191, id=1185, vol=1.521560e+05
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   31 and name  HB1)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   27 and name  HG1) 3.239 3.239 2.761 weight 1.000 ! spec=Noesy, no=1195, id=1189, vol=1.213187e+06
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name  HE1) 4.336 2.350 2.350 weight 1.000 ! spec=Noesy, no=1196, id=1190, vol=1.671780e+05
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   15 and name  HB2)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   19 and name  HB1) 4.345 2.359 2.359 weight 1.000 ! spec=Noesy, no=1210, id=1204, vol=2.145460e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   19 and name  HB2)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HE2) 4.404 2.425 2.425 weight 1.000 ! spec=Noesy, no=1216, id=1210, vol=1.657380e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HE1)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HD2) 3.152 1.242 1.242 weight 1.000 ! spec=Noesy, no=1221, id=1215, vol=1.441096e+06
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HD1)
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   42 and name HG11) 3.988 1.988 1.988 weight 1.000 ! spec=Noesy, no=1248, id=1242, vol=2.480080e+05
    or (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   42 and name HG11)
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   40 and name  HG2) 4.409 2.430 2.430 weight 1.000 ! spec=Noesy, no=1250, id=1244, vol=1.419920e+05
    or (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   40 and name  HG1)
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   31 and name  HB2) 4.129 2.131 2.131 weight 1.000 ! spec=Noesy, no=1264, id=1258, vol=2.291820e+05
    or (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   31 and name  HB2)
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   38 and name  HB1) 3.744 1.752 1.752 weight 1.000 ! spec=Noesy, no=1267, id=1261, vol=4.670640e+05
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   38 and name  HB1)
assign (segid "   A" and resid   19 and name  HG1) (segid "   A" and resid   18 and name  HB1) 3.867 1.869 1.869 weight 1.000 ! spec=Noesy, no=1270, id=1264, vol=3.708420e+05
    or (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   18 and name  HB1)
assign (segid "   A" and resid   42 and name   HB) (segid "   A" and resid   22 and name  HD2) 3.209 1.287 1.287 weight 1.000 ! spec=Noesy, no=1271, id=1265, vol=1.059996e+06
    or (segid "   A" and resid   42 and name   HB) (segid "   A" and resid   39 and name  HB2)
    or (segid "   A" and resid   42 and name   HB) (segid "   A" and resid   22 and name  HD1)
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name  HD1) 2.947 1.085 1.085 weight 1.000 ! spec=Noesy, no=1272, id=1266, vol=1.979373e+06
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name  HD2)
    or (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name  HD1)
    or (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name  HD2)
assign (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   35 and name  HB1) 2.284 2.284 3.716 weight 1.000 ! spec=Noesy, no=1273, id=1267, vol=8.967772e+06
    or (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   35 and name  HB1)
assign (segid "   A" and resid   24 and name HD21) (segid "   A" and resid   22 and name  HB1) 2.972 1.104 1.104 weight 1.000 ! spec=Noesy, no=1277, id=1271, vol=1.087989e+06
    or (segid "   A" and resid   24 and name HD23) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   24 and name HD22) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   24 and name HD21) (segid "   A" and resid   22 and name  HB2)
    or (segid "   A" and resid   24 and name HD23) (segid "   A" and resid   22 and name  HB2)
    or (segid "   A" and resid   24 and name HD22) (segid "   A" and resid   22 and name  HB2)
assign (segid "   A" and resid   25 and name  HG1) (segid "   A" and resid   26 and name   HA) 3.394 1.440 1.440 weight 1.000 ! spec=Noesy, no=1286, id=1280, vol=7.621270e+05
    or (segid "   A" and resid   25 and name  HG1) (segid "   A" and resid   27 and name   HA)
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   14 and name  HA2) 3.644 1.660 1.660 weight 1.000 ! spec=Noesy, no=1290, id=1284, vol=5.350960e+05
    or (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   14 and name  HA2)
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   20 and name  HE1) 4.172 2.175 2.175 weight 1.000 ! spec=Noesy, no=1299, id=1293, vol=2.394290e+05
    or (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   20 and name  HE2)
assign (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   34 and name  HE2) 4.043 2.043 2.043 weight 1.000 ! spec=Noesy, no=1300, id=1294, vol=2.911400e+05
    or (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   34 and name  HE1)
    or (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name  HE2)
    or (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name  HE1)
# Restraints file 4: unambig.tbl
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   34 and name   HN) 4.192 2.197 2.197 weight 1.000 ! spec=Noesy, no=1, id=0, vol=1.966580e+05
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   36 and name   HN) 3.573 1.596 1.596 weight 1.000 ! spec=Noesy, no=2, id=1, vol=4.908900e+05
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   36 and name  HZ2) 2.363 0.698 0.698 weight 1.000 ! spec=Noesy, no=3, id=2, vol=5.880596e+06
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   36 and name  HD1) 2.088 0.545 0.545 weight 1.000 ! spec=Noesy, no=4, id=3, vol=1.235055e+07
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   36 and name  HH2) 3.753 1.760 1.760 weight 1.000 ! spec=Noesy, no=5, id=4, vol=3.540330e+05
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   36 and name  HE3) 4.395 2.414 2.414 weight 1.000 ! spec=Noesy, no=6, id=5, vol=1.200400e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   39 and name   HN) 3.823 1.827 1.827 weight 1.000 ! spec=Noesy, no=7, id=6, vol=4.163260e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name   HN) 3.795 1.800 1.800 weight 1.000 ! spec=Noesy, no=8, id=7, vol=4.459880e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   37 and name   HN) 2.838 1.007 1.007 weight 1.000 ! spec=Noesy, no=9, id=8, vol=2.558732e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   18 and name   HN) 3.605 1.624 1.624 weight 1.000 ! spec=Noesy, no=10, id=9, vol=6.084780e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   36 and name  HZ3) 4.357 2.373 2.373 weight 1.000 ! spec=Noesy, no=11, id=10, vol=1.875930e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   36 and name  HE3) 3.273 1.339 1.339 weight 1.000 ! spec=Noesy, no=12, id=11, vol=1.073127e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   40 and name   HN) 4.106 2.107 2.107 weight 1.000 ! spec=Noesy, no=13, id=12, vol=2.492970e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name   HN) 4.142 2.144 2.144 weight 1.000 ! spec=Noesy, no=14, id=13, vol=2.044010e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   15 and name   HN) 2.795 0.976 0.976 weight 1.000 ! spec=Noesy, no=15, id=14, vol=2.645068e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HN) 3.630 1.647 1.647 weight 1.000 ! spec=Noesy, no=16, id=15, vol=5.034590e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   27 and name   HN) 4.406 2.427 2.427 weight 1.000 ! spec=Noesy, no=17, id=16, vol=1.724780e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   27 and name   HN) 4.065 2.065 2.065 weight 1.000 ! spec=Noesy, no=18, id=17, vol=2.730340e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   15 and name  HD2) 4.424 2.447 2.447 weight 1.000 ! spec=Noesy, no=19, id=18, vol=1.609790e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HD2) 3.994 1.994 1.994 weight 1.000 ! spec=Noesy, no=20, id=19, vol=3.022600e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   36 and name  HE3) 3.801 1.806 1.806 weight 1.000 ! spec=Noesy, no=21, id=20, vol=3.794310e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name   HN) 3.815 1.819 1.819 weight 1.000 ! spec=Noesy, no=22, id=21, vol=4.099430e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   27 and name   HN) 3.327 1.384 1.384 weight 1.000 ! spec=Noesy, no=23, id=22, vol=8.789070e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   27 and name   HN) 3.845 1.848 1.848 weight 1.000 ! spec=Noesy, no=24, id=23, vol=3.731470e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HN) 3.575 1.597 1.597 weight 1.000 ! spec=Noesy, no=25, id=24, vol=5.817210e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name   HN) 3.328 1.384 1.384 weight 1.000 ! spec=Noesy, no=26, id=25, vol=8.845940e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   30 and name   HN) 2.866 1.027 1.027 weight 1.000 ! spec=Noesy, no=27, id=26, vol=2.050069e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   11 and name   HN) 2.542 0.808 0.808 weight 1.000 ! spec=Noesy, no=28, id=27, vol=4.161727e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   11 and name   HN) 3.960 1.961 1.961 weight 1.000 ! spec=Noesy, no=29, id=28, vol=2.959920e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   41 and name   HN) 2.481 2.481 3.519 weight 1.000 ! spec=Noesy, no=30, id=29, vol=5.158459e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   25 and name   HN) 3.686 1.698 1.698 weight 1.000 ! spec=Noesy, no=31, id=30, vol=4.831680e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name   HN) 3.325 1.382 1.382 weight 1.000 ! spec=Noesy, no=32, id=31, vol=1.036690e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name   HN) 2.649 0.877 0.877 weight 1.000 ! spec=Noesy, no=33, id=32, vol=3.591524e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name   HN) 3.545 1.571 1.571 weight 1.000 ! spec=Noesy, no=34, id=33, vol=6.141920e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   36 and name   HN) 2.837 1.006 1.006 weight 1.000 ! spec=Noesy, no=35, id=34, vol=2.340843e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   14 and name   HN) 3.858 1.861 1.861 weight 1.000 ! spec=Noesy, no=36, id=35, vol=3.625900e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name   HN) 3.406 1.450 1.450 weight 1.000 ! spec=Noesy, no=37, id=36, vol=7.329500e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name  HD1) 3.833 1.836 1.836 weight 1.000 ! spec=Noesy, no=38, id=37, vol=4.096730e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name  HE3) 3.639 1.655 1.655 weight 1.000 ! spec=Noesy, no=39, id=38, vol=5.388390e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   36 and name  HD1) 3.900 1.902 1.902 weight 1.000 ! spec=Noesy, no=40, id=39, vol=3.370940e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   12 and name   HN) 3.509 1.539 1.539 weight 1.000 ! spec=Noesy, no=41, id=40, vol=6.109350e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   12 and name   HN) 4.218 2.224 2.224 weight 1.000 ! spec=Noesy, no=42, id=41, vol=2.036560e+05
assign (segid "   A" and resid    7 and name  HE1) (segid "   A" and resid    7 and name  HD2) 3.262 1.330 1.330 weight 1.000 ! spec=Noesy, no=43, id=42, vol=7.211350e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HD2) 2.792 0.974 0.974 weight 1.000 ! spec=Noesy, no=44, id=43, vol=2.203752e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name   HN) 3.475 1.510 1.510 weight 1.000 ! spec=Noesy, no=45, id=44, vol=6.267540e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HN) 2.688 0.903 0.903 weight 1.000 ! spec=Noesy, no=46, id=45, vol=3.141868e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   36 and name   HN) 4.282 2.292 2.292 weight 1.000 ! spec=Noesy, no=47, id=46, vol=1.522330e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name   HN) 3.653 1.668 1.668 weight 1.000 ! spec=Noesy, no=48, id=47, vol=4.819370e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name   HN) 3.372 1.422 1.422 weight 1.000 ! spec=Noesy, no=49, id=48, vol=7.931550e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   36 and name  HD1) 3.681 1.694 1.694 weight 1.000 ! spec=Noesy, no=50, id=49, vol=4.141660e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HD2) 3.420 1.462 1.462 weight 1.000 ! spec=Noesy, no=51, id=50, vol=7.361720e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name   HN) 3.351 1.403 1.403 weight 1.000 ! spec=Noesy, no=52, id=51, vol=7.612470e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name HE21) 3.944 1.945 1.945 weight 1.000 ! spec=Noesy, no=53, id=52, vol=2.998940e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HD1) 3.781 1.787 1.787 weight 1.000 ! spec=Noesy, no=54, id=53, vol=4.093420e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HD2)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   12 and name   HN) 2.517 0.792 0.792 weight 1.000 ! spec=Noesy, no=55, id=54, vol=4.462574e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HE2) 3.953 1.954 1.954 weight 1.000 ! spec=Noesy, no=56, id=55, vol=3.564560e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HE1)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HD1) 3.044 1.158 1.158 weight 1.000 ! spec=Noesy, no=57, id=56, vol=1.490301e+06
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HD2)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name  HE3) 3.554 3.554 2.446 weight 1.000 ! spec=Noesy, no=58, id=57, vol=5.744370e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   27 and name HE21) 4.052 2.052 2.052 weight 1.000 ! spec=Noesy, no=59, id=58, vol=2.841960e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name  HD1) 2.366 0.700 0.700 weight 1.000 ! spec=Noesy, no=60, id=59, vol=6.810343e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HN) 2.419 0.732 0.732 weight 1.000 ! spec=Noesy, no=61, id=60, vol=5.931575e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   27 and name HE22) 3.535 1.562 1.562 weight 1.000 ! spec=Noesy, no=62, id=61, vol=6.496970e+05
assign (segid "   A" and resid   10 and name HE21) (segid "   A" and resid   10 and name HE22) 1.513 0.286 0.286 weight 1.000 ! spec=Noesy, no=63, id=62, vol=8.246433e+07
assign (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   36 and name  HZ3) 3.031 1.148 1.148 weight 1.000 ! spec=Noesy, no=64, id=63, vol=1.104489e+06
assign (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   36 and name  HH2) 1.945 0.473 0.473 weight 1.000 ! spec=Noesy, no=65, id=64, vol=1.784350e+07
assign (segid "   A" and resid    6 and name  HE2) (segid "   A" and resid    6 and name  HD1) 1.616 1.616 4.384 weight 1.000 ! spec=Noesy, no=66, id=65, vol=5.669144e+07
    or (segid "   A" and resid    6 and name  HE2) (segid "   A" and resid    6 and name  HD2)
    or (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid    6 and name  HD1)
    or (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid    6 and name  HD2)
assign (segid "   A" and resid   36 and name  HH2) (segid "   A" and resid   36 and name  HZ3) 2.058 0.529 0.529 weight 1.000 ! spec=Noesy, no=67, id=66, vol=1.625874e+07
assign (segid "   A" and resid   36 and name  HH2) (segid "   A" and resid   36 and name  HE3) 3.197 1.278 1.278 weight 1.000 ! spec=Noesy, no=68, id=67, vol=6.664480e+05
assign (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   36 and name  HE3) 1.921 0.461 0.461 weight 1.000 ! spec=Noesy, no=69, id=68, vol=2.086430e+07
assign (segid "   A" and resid   27 and name HE21) (segid "   A" and resid   27 and name HE22) 1.825 0.416 0.416 weight 1.000 ! spec=Noesy, no=70, id=69, vol=3.119525e+07
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   36 and name   HA) 3.704 1.715 1.715 weight 1.000 ! spec=Noesy, no=71, id=70, vol=4.109920e+05
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   33 and name   HA) 4.031 2.031 2.031 weight 1.000 ! spec=Noesy, no=72, id=71, vol=2.483070e+05
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   18 and name  HB1) 3.140 1.232 1.232 weight 1.000 ! spec=Noesy, no=73, id=72, vol=1.088195e+06
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   19 and name  HD1) 2.942 1.082 1.082 weight 1.000 ! spec=Noesy, no=74, id=73, vol=1.604154e+06
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   36 and name  HB2) 4.018 2.018 2.018 weight 1.000 ! spec=Noesy, no=75, id=74, vol=2.525560e+05
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   36 and name  HB1) 4.382 2.400 2.400 weight 1.000 ! spec=Noesy, no=76, id=75, vol=1.561370e+05
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   18 and name  HB2) 3.480 1.514 1.514 weight 1.000 ! spec=Noesy, no=77, id=76, vol=5.913950e+05
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   19 and name  HD2) 2.896 1.048 1.048 weight 1.000 ! spec=Noesy, no=78, id=77, vol=1.760953e+06
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   18 and name   HA) 3.141 1.233 1.233 weight 1.000 ! spec=Noesy, no=80, id=79, vol=1.084714e+06
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   33 and name   HG) 3.892 1.894 1.894 weight 1.000 ! spec=Noesy, no=82, id=81, vol=2.892100e+05
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   33 and name  HB2) 2.855 1.019 1.019 weight 1.000 ! spec=Noesy, no=83, id=82, vol=1.985533e+06
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   33 and name HD12) 3.312 1.371 1.371 weight 1.000 ! spec=Noesy, no=84, id=83, vol=7.852750e+05
    or (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   33 and name HD11)
    or (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   33 and name HD13)
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   33 and name  HB1) 3.098 1.200 1.200 weight 1.000 ! spec=Noesy, no=85, id=84, vol=1.220919e+06
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   33 and name HD22) 2.625 0.861 0.861 weight 1.000 ! spec=Noesy, no=86, id=85, vol=3.171415e+06
    or (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   33 and name HD21)
    or (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   33 and name HD23)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HG11) 2.182 0.595 0.595 weight 1.000 ! spec=Noesy, no=87, id=86, vol=1.120484e+07
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HG13)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HG12)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   37 and name HG23) 3.706 1.717 1.717 weight 1.000 ! spec=Noesy, no=88, id=87, vol=4.613640e+05
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   37 and name HG22)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name HG23) 3.341 1.396 1.396 weight 1.000 ! spec=Noesy, no=90, id=89, vol=8.697660e+05
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name HG21)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name HG22)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   17 and name HG11) 3.579 1.601 1.601 weight 1.000 ! spec=Noesy, no=91, id=90, vol=5.802100e+05
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   17 and name HG13)
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   17 and name HG12)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   37 and name HG23) 3.605 1.625 1.625 weight 1.000 ! spec=Noesy, no=92, id=91, vol=5.686820e+05
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   37 and name HG22)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name HG23) 2.444 0.746 0.746 weight 1.000 ! spec=Noesy, no=93, id=92, vol=5.610167e+06
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name HG22)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   17 and name HG11) 2.694 0.907 0.907 weight 1.000 ! spec=Noesy, no=95, id=94, vol=3.277087e+06
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   17 and name HG13)
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   17 and name HG12)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   21 and name HG22) 3.564 1.588 1.588 weight 1.000 ! spec=Noesy, no=97, id=96, vol=5.918510e+05
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   21 and name HG23)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   37 and name HG23) 3.515 3.515 2.485 weight 1.000 ! spec=Noesy, no=98, id=97, vol=6.243760e+05
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   37 and name HG22)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name HG23) 2.978 1.109 1.109 weight 1.000 ! spec=Noesy, no=99, id=98, vol=1.745716e+06
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name HG22)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   37 and name HG23) 4.030 2.031 2.031 weight 1.000 ! spec=Noesy, no=100, id=99, vol=2.829530e+05
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   37 and name HG22)
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name HG22) 4.121 2.123 2.123 weight 1.000 ! spec=Noesy, no=102, id=101, vol=2.481230e+05
    or (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name HG23)
    or (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name HG21)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name HG23) 2.967 1.100 1.100 weight 1.000 ! spec=Noesy, no=103, id=102, vol=1.673569e+06
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name HG21)
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name HG22)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HG2) 3.430 1.471 1.471 weight 1.000 ! spec=Noesy, no=104, id=103, vol=7.476200e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HB1) 2.983 1.112 1.112 weight 1.000 ! spec=Noesy, no=105, id=104, vol=1.783297e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HB2) 2.887 1.042 1.042 weight 1.000 ! spec=Noesy, no=107, id=106, vol=2.080626e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HG1) 3.230 1.304 1.304 weight 1.000 ! spec=Noesy, no=108, id=107, vol=1.120147e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name  HG2) 3.777 1.783 1.783 weight 1.000 ! spec=Noesy, no=109, id=108, vol=4.318570e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   30 and name  HB1) 3.617 1.635 1.635 weight 1.000 ! spec=Noesy, no=110, id=109, vol=5.147800e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   30 and name  HB2) 3.338 1.393 1.393 weight 1.000 ! spec=Noesy, no=111, id=110, vol=8.644940e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name  HG1) 3.732 1.741 1.741 weight 1.000 ! spec=Noesy, no=112, id=111, vol=4.741190e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HB1) 2.304 0.664 0.664 weight 1.000 ! spec=Noesy, no=114, id=113, vol=8.220984e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HB1) 2.471 0.763 0.763 weight 1.000 ! spec=Noesy, no=115, id=114, vol=5.369746e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HB2) 2.497 0.780 0.780 weight 1.000 ! spec=Noesy, no=116, id=115, vol=4.986443e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB1) 2.390 0.714 0.714 weight 1.000 ! spec=Noesy, no=121, id=120, vol=6.591478e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   27 and name  HG2) 4.134 2.136 2.136 weight 1.000 ! spec=Noesy, no=122, id=121, vol=2.654570e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB2) 2.809 0.986 0.986 weight 1.000 ! spec=Noesy, no=123, id=122, vol=2.479100e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HB2) 3.210 1.288 1.288 weight 1.000 ! spec=Noesy, no=124, id=123, vol=1.152521e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB1) 2.477 0.767 0.767 weight 1.000 ! spec=Noesy, no=125, id=124, vol=5.291061e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB2) 2.354 2.354 3.646 weight 1.000 ! spec=Noesy, no=126, id=125, vol=6.903880e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   26 and name  HB2) 3.835 1.839 1.839 weight 1.000 ! spec=Noesy, no=127, id=126, vol=3.864810e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   10 and name  HG1) 3.958 1.958 1.958 weight 1.000 ! spec=Noesy, no=129, id=128, vol=3.020240e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   10 and name  HG2) 4.149 2.152 2.152 weight 1.000 ! spec=Noesy, no=130, id=129, vol=2.215330e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   18 and name   HA) 3.783 1.789 1.789 weight 1.000 ! spec=Noesy, no=131, id=130, vol=4.044580e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   25 and name  HG1) 3.895 1.896 1.896 weight 1.000 ! spec=Noesy, no=132, id=131, vol=3.779310e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HG1) 3.151 1.241 1.241 weight 1.000 ! spec=Noesy, no=133, id=132, vol=1.272516e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   26 and name  HG2) 4.228 2.234 2.234 weight 1.000 ! spec=Noesy, no=134, id=133, vol=2.428230e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HG2) 2.902 1.053 1.053 weight 1.000 ! spec=Noesy, no=135, id=134, vol=2.091358e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HB1) 3.108 1.207 1.207 weight 1.000 ! spec=Noesy, no=136, id=135, vol=1.380128e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HG1) 2.916 1.063 1.063 weight 1.000 ! spec=Noesy, no=137, id=136, vol=1.840155e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HB1) 2.563 0.821 0.821 weight 1.000 ! spec=Noesy, no=138, id=137, vol=4.520419e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid    9 and name  HB2) 4.330 2.344 2.344 weight 1.000 ! spec=Noesy, no=139, id=138, vol=1.767050e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name  HB1) 3.174 1.259 1.259 weight 1.000 ! spec=Noesy, no=141, id=140, vol=1.197680e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HB1) 3.328 1.384 1.384 weight 1.000 ! spec=Noesy, no=142, id=141, vol=9.461280e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HB1) 2.709 0.918 0.918 weight 1.000 ! spec=Noesy, no=143, id=142, vol=3.168124e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   19 and name  HD2) 3.802 1.806 1.806 weight 1.000 ! spec=Noesy, no=144, id=143, vol=3.985080e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HB2) 2.767 0.957 0.957 weight 1.000 ! spec=Noesy, no=145, id=144, vol=2.587333e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HB2) 2.360 2.360 3.640 weight 1.000 ! spec=Noesy, no=146, id=145, vol=6.689749e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HG2) 3.258 1.327 1.327 weight 1.000 ! spec=Noesy, no=147, id=146, vol=9.519510e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   21 and name   HB) 4.438 2.462 2.462 weight 1.000 ! spec=Noesy, no=149, id=148, vol=1.670840e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name   HB) 2.982 1.111 1.111 weight 1.000 ! spec=Noesy, no=150, id=149, vol=1.757754e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   39 and name  HB1) 3.830 1.833 1.833 weight 1.000 ! spec=Noesy, no=151, id=150, vol=3.968000e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid    9 and name  HB1) 4.540 2.576 2.576 weight 1.000 ! spec=Noesy, no=152, id=151, vol=1.529740e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name  HB2) 3.238 1.311 1.311 weight 1.000 ! spec=Noesy, no=154, id=153, vol=1.114934e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid    9 and name  HB1) 4.125 2.127 2.127 weight 1.000 ! spec=Noesy, no=155, id=154, vol=2.288730e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HB2) 2.894 2.894 3.106 weight 1.000 ! spec=Noesy, no=156, id=155, vol=2.075269e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name  HB2) 2.486 0.772 0.772 weight 1.000 ! spec=Noesy, no=157, id=156, vol=5.153535e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB1) 2.637 0.869 0.869 weight 1.000 ! spec=Noesy, no=158, id=157, vol=3.840689e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   31 and name  HB1) 4.404 2.424 2.424 weight 1.000 ! spec=Noesy, no=160, id=159, vol=2.051100e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   36 and name  HB1) 3.413 1.456 1.456 weight 1.000 ! spec=Noesy, no=161, id=160, vol=8.598700e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name  HB2) 3.088 1.192 1.192 weight 1.000 ! spec=Noesy, no=162, id=161, vol=1.597378e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HB2) 2.584 0.835 0.835 weight 1.000 ! spec=Noesy, no=163, id=162, vol=4.291516e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB2) 2.726 0.929 0.929 weight 1.000 ! spec=Noesy, no=164, id=163, vol=3.151594e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   14 and name  HA1) 4.010 2.010 2.010 weight 1.000 ! spec=Noesy, no=166, id=165, vol=2.699360e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name  HB1) 3.503 1.534 1.534 weight 1.000 ! spec=Noesy, no=167, id=166, vol=7.485000e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB1) 2.365 2.365 3.635 weight 1.000 ! spec=Noesy, no=168, id=167, vol=6.922445e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name  HB1) 3.799 1.804 1.804 weight 1.000 ! spec=Noesy, no=169, id=168, vol=4.330990e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name  HB1) 2.470 2.470 3.530 weight 1.000 ! spec=Noesy, no=170, id=169, vol=5.430828e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB2) 3.107 1.207 1.207 weight 1.000 ! spec=Noesy, no=171, id=170, vol=1.407628e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   31 and name  HB2) 4.323 2.336 2.336 weight 1.000 ! spec=Noesy, no=172, id=171, vol=1.729210e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name  HB2) 2.915 1.062 1.062 weight 1.000 ! spec=Noesy, no=173, id=172, vol=1.980298e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name  HB1) 2.659 0.884 0.884 weight 1.000 ! spec=Noesy, no=174, id=173, vol=3.568335e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name  HB2) 2.881 2.881 3.119 weight 1.000 ! spec=Noesy, no=175, id=174, vol=2.262339e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HB2) 2.438 0.743 0.743 weight 1.000 ! spec=Noesy, no=176, id=175, vol=5.860783e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   37 and name   HB) 3.375 1.423 1.423 weight 1.000 ! spec=Noesy, no=177, id=176, vol=8.079020e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name   HB) 2.821 2.821 3.179 weight 1.000 ! spec=Noesy, no=178, id=177, vol=2.369913e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name  HD1) 4.302 2.314 2.314 weight 1.000 ! spec=Noesy, no=179, id=178, vol=2.057460e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name  HD2) 4.305 2.317 2.317 weight 1.000 ! spec=Noesy, no=180, id=179, vol=1.873750e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name   HB) 2.448 0.749 0.749 weight 1.000 ! spec=Noesy, no=181, id=180, vol=5.618087e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name   HA) 2.224 0.619 0.619 weight 1.000 ! spec=Noesy, no=182, id=181, vol=1.009859e+07
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name   HA) 2.128 2.128 3.872 weight 1.000 ! spec=Noesy, no=183, id=182, vol=1.307178e+07
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   42 and name   HA) 3.095 1.197 1.197 weight 1.000 ! spec=Noesy, no=184, id=183, vol=1.347596e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   29 and name  HA1) 3.346 1.399 1.399 weight 1.000 ! spec=Noesy, no=185, id=184, vol=8.414440e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   29 and name  HA2) 3.675 1.688 1.688 weight 1.000 ! spec=Noesy, no=186, id=185, vol=4.755060e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name   HA) 2.667 0.889 0.889 weight 1.000 ! spec=Noesy, no=187, id=186, vol=3.162666e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name   HA) 2.462 0.757 0.757 weight 1.000 ! spec=Noesy, no=188, id=187, vol=5.077347e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name   HA) 2.775 0.962 0.962 weight 1.000 ! spec=Noesy, no=189, id=188, vol=2.877183e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HA) 2.023 0.511 0.511 weight 1.000 ! spec=Noesy, no=190, id=189, vol=1.761378e+07
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name   HA) 2.666 0.888 0.888 weight 1.000 ! spec=Noesy, no=191, id=190, vol=3.514905e+06
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name   HA) 2.969 1.102 1.102 weight 1.000 ! spec=Noesy, no=192, id=191, vol=1.943419e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name   HA) 2.062 0.532 0.532 weight 1.000 ! spec=Noesy, no=193, id=192, vol=1.559374e+07
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name   HA) 2.185 0.597 0.597 weight 1.000 ! spec=Noesy, no=194, id=193, vol=1.163186e+07
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name   HA) 2.895 1.048 1.048 weight 1.000 ! spec=Noesy, no=195, id=194, vol=2.200639e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name   HA) 2.064 0.532 0.532 weight 1.000 ! spec=Noesy, no=196, id=195, vol=1.546300e+07
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name   HA) 3.357 1.408 1.408 weight 1.000 ! spec=Noesy, no=197, id=196, vol=6.885950e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HA2) 2.388 0.713 0.713 weight 1.000 ! spec=Noesy, no=198, id=197, vol=7.222851e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   41 and name   HA) 3.270 3.270 2.730 weight 1.000 ! spec=Noesy, no=199, id=198, vol=8.212670e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HA) 2.200 0.605 0.605 weight 1.000 ! spec=Noesy, no=200, id=199, vol=9.999938e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HB) 2.471 0.763 0.763 weight 1.000 ! spec=Noesy, no=201, id=200, vol=5.009002e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name   HB) 2.655 0.881 0.881 weight 1.000 ! spec=Noesy, no=202, id=201, vol=3.277783e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   37 and name   HA) 4.167 2.171 2.171 weight 1.000 ! spec=Noesy, no=203, id=202, vol=2.545440e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name   HA) 2.732 0.933 0.933 weight 1.000 ! spec=Noesy, no=204, id=203, vol=3.265487e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   38 and name   HA) 3.904 1.905 1.905 weight 1.000 ! spec=Noesy, no=205, id=204, vol=3.977860e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   26 and name   HA) 3.990 1.990 1.990 weight 1.000 ! spec=Noesy, no=206, id=205, vol=4.012370e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HA) 2.067 0.534 0.534 weight 1.000 ! spec=Noesy, no=207, id=206, vol=1.513628e+07
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name   HA) 3.470 1.505 1.505 weight 1.000 ! spec=Noesy, no=208, id=207, vol=7.234150e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name   HA) 2.724 0.927 0.927 weight 1.000 ! spec=Noesy, no=210, id=209, vol=3.262701e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   26 and name   HA) 2.663 0.886 0.886 weight 1.000 ! spec=Noesy, no=211, id=210, vol=3.392132e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name   HA) 2.652 0.879 0.879 weight 1.000 ! spec=Noesy, no=212, id=211, vol=3.801748e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name   HA) 2.886 1.041 1.041 weight 1.000 ! spec=Noesy, no=213, id=212, vol=2.208137e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   39 and name   HA) 4.186 2.191 2.191 weight 1.000 ! spec=Noesy, no=214, id=213, vol=2.240410e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name   HA) 3.027 1.145 1.145 weight 1.000 ! spec=Noesy, no=215, id=214, vol=1.675301e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name   HA) 2.085 0.544 0.544 weight 1.000 ! spec=Noesy, no=216, id=215, vol=1.453834e+07
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   39 and name   HA) 3.776 1.782 1.782 weight 1.000 ! spec=Noesy, no=217, id=216, vol=4.420720e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   38 and name   HA) 2.462 2.462 3.538 weight 1.000 ! spec=Noesy, no=218, id=217, vol=4.830075e+06
assign (segid "   A" and resid    7 and name  HE1) (segid "   A" and resid    7 and name   HA) 3.329 3.329 2.671 weight 1.000 ! spec=Noesy, no=219, id=218, vol=8.492850e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   39 and name   HA) 3.900 1.902 1.902 weight 1.000 ! spec=Noesy, no=220, id=219, vol=3.241780e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name   HA) 2.079 0.541 0.541 weight 1.000 ! spec=Noesy, no=221, id=220, vol=1.515828e+07
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   16 and name   HA) 3.058 1.169 1.169 weight 1.000 ! spec=Noesy, no=222, id=221, vol=1.544931e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name   HA) 2.705 0.915 0.915 weight 1.000 ! spec=Noesy, no=223, id=222, vol=2.940190e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   16 and name   HA) 4.060 2.061 2.061 weight 1.000 ! spec=Noesy, no=224, id=223, vol=2.686160e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   16 and name   HA) 3.551 1.577 1.577 weight 1.000 ! spec=Noesy, no=225, id=224, vol=6.463050e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name   HA) 4.074 2.075 2.075 weight 1.000 ! spec=Noesy, no=226, id=225, vol=2.513410e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   39 and name   HA) 2.836 1.005 1.005 weight 1.000 ! spec=Noesy, no=227, id=226, vol=2.413797e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HA) 2.648 0.877 0.877 weight 1.000 ! spec=Noesy, no=228, id=227, vol=3.438498e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid    7 and name   HA) 4.317 2.330 2.330 weight 1.000 ! spec=Noesy, no=229, id=228, vol=1.758500e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name   HA) 2.160 0.583 0.583 weight 1.000 ! spec=Noesy, no=230, id=229, vol=1.162774e+07
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name   HA) 2.131 0.568 0.568 weight 1.000 ! spec=Noesy, no=231, id=230, vol=1.340302e+07
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   23 and name   HA) 4.157 2.160 2.160 weight 1.000 ! spec=Noesy, no=232, id=231, vol=2.436200e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HA) 2.294 2.294 3.706 weight 1.000 ! spec=Noesy, no=233, id=232, vol=8.277398e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name   HA) 1.908 1.908 4.092 weight 1.000 ! spec=Noesy, no=234, id=233, vol=2.191872e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name   HA) 2.635 0.868 0.868 weight 1.000 ! spec=Noesy, no=235, id=234, vol=3.475022e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid    8 and name   HB) 3.647 1.663 1.663 weight 1.000 ! spec=Noesy, no=236, id=235, vol=5.221270e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name   HA) 2.611 0.852 0.852 weight 1.000 ! spec=Noesy, no=237, id=236, vol=3.632281e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name   HA) 2.556 0.817 0.817 weight 1.000 ! spec=Noesy, no=238, id=237, vol=4.346874e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name   HA) 2.506 0.785 0.785 weight 1.000 ! spec=Noesy, no=239, id=238, vol=4.527086e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    8 and name   HA) 3.788 1.794 1.794 weight 1.000 ! spec=Noesy, no=240, id=239, vol=4.558340e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid    8 and name   HA) 2.452 0.752 0.752 weight 1.000 ! spec=Noesy, no=241, id=240, vol=5.272357e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name   HA) 2.214 0.613 0.613 weight 1.000 ! spec=Noesy, no=243, id=242, vol=8.296652e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HA) 2.314 0.670 0.670 weight 1.000 ! spec=Noesy, no=244, id=243, vol=7.553651e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name   HA) 2.550 0.813 0.813 weight 1.000 ! spec=Noesy, no=245, id=244, vol=4.123479e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name   HA) 2.441 0.745 0.745 weight 1.000 ! spec=Noesy, no=246, id=245, vol=5.331472e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    3 and name   HB) 4.145 2.148 2.148 weight 1.000 ! spec=Noesy, no=248, id=247, vol=2.125170e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name   HA) 3.028 1.146 1.146 weight 1.000 ! spec=Noesy, no=249, id=248, vol=1.495455e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid    9 and name   HA) 3.417 1.459 1.459 weight 1.000 ! spec=Noesy, no=250, id=249, vol=7.211690e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name   HA) 2.336 0.682 0.682 weight 1.000 ! spec=Noesy, no=251, id=250, vol=6.481111e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name   HA) 1.967 0.483 0.483 weight 1.000 ! spec=Noesy, no=252, id=251, vol=2.060584e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HA1) 2.540 0.807 0.807 weight 1.000 ! spec=Noesy, no=253, id=252, vol=4.416309e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   29 and name  HA2) 4.406 2.427 2.427 weight 1.000 ! spec=Noesy, no=254, id=253, vol=1.700130e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB2) 2.845 1.012 1.012 weight 1.000 ! spec=Noesy, no=255, id=254, vol=2.207950e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB1) 2.911 1.059 1.059 weight 1.000 ! spec=Noesy, no=256, id=255, vol=1.914130e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HA2) 2.322 0.674 0.674 weight 1.000 ! spec=Noesy, no=257, id=256, vol=7.603368e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name  HB2) 3.235 1.308 1.308 weight 1.000 ! spec=Noesy, no=258, id=257, vol=1.018581e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name  HB1) 3.284 1.348 1.348 weight 1.000 ! spec=Noesy, no=259, id=258, vol=9.071160e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    4 and name  HB1) 4.142 2.145 2.145 weight 1.000 ! spec=Noesy, no=260, id=259, vol=2.363930e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    4 and name  HB2) 4.279 2.288 2.288 weight 1.000 ! spec=Noesy, no=261, id=260, vol=1.933530e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HA2) 2.747 0.943 0.943 weight 1.000 ! spec=Noesy, no=262, id=261, vol=2.824834e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   38 and name  HB1) 3.503 1.534 1.534 weight 1.000 ! spec=Noesy, no=263, id=262, vol=6.901030e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   15 and name  HB1) 4.291 2.302 2.302 weight 1.000 ! spec=Noesy, no=265, id=264, vol=1.945980e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   36 and name  HB2) 4.229 2.236 2.236 weight 1.000 ! spec=Noesy, no=266, id=265, vol=2.195560e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB1) 2.695 2.695 3.305 weight 1.000 ! spec=Noesy, no=267, id=266, vol=2.982641e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HA1) 2.373 0.704 0.704 weight 1.000 ! spec=Noesy, no=268, id=267, vol=7.331002e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB2) 2.864 1.025 1.025 weight 1.000 ! spec=Noesy, no=269, id=268, vol=2.154956e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB1) 2.552 0.814 0.814 weight 1.000 ! spec=Noesy, no=270, id=269, vol=4.418594e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB2) 3.363 3.363 2.637 weight 1.000 ! spec=Noesy, no=271, id=270, vol=8.372760e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   36 and name  HB2) 3.954 1.954 1.954 weight 1.000 ! spec=Noesy, no=272, id=271, vol=3.458450e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid    7 and name  HB1) 4.356 2.372 2.372 weight 1.000 ! spec=Noesy, no=274, id=273, vol=1.809000e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB2) 2.763 0.954 0.954 weight 1.000 ! spec=Noesy, no=275, id=274, vol=2.745779e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   11 and name  HB1) 3.799 1.804 1.804 weight 1.000 ! spec=Noesy, no=276, id=275, vol=3.819780e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   11 and name  HB1) 3.596 1.616 1.616 weight 1.000 ! spec=Noesy, no=277, id=276, vol=5.155440e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HB1) 2.358 0.695 0.695 weight 1.000 ! spec=Noesy, no=278, id=277, vol=6.751386e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HB1) 2.427 0.736 0.736 weight 1.000 ! spec=Noesy, no=279, id=278, vol=5.713254e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB2) 2.595 0.842 0.842 weight 1.000 ! spec=Noesy, no=280, id=279, vol=4.230018e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   38 and name  HB2) 3.841 1.844 1.844 weight 1.000 ! spec=Noesy, no=281, id=280, vol=3.803690e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB1) 3.290 1.353 1.353 weight 1.000 ! spec=Noesy, no=282, id=281, vol=9.736660e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    1 and name  HB1) 4.245 2.253 2.253 weight 1.000 ! spec=Noesy, no=283, id=282, vol=2.128340e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid    9 and name  HB1) 3.859 1.862 1.862 weight 1.000 ! spec=Noesy, no=284, id=283, vol=3.820680e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   38 and name  HB2) 4.137 2.140 2.140 weight 1.000 ! spec=Noesy, no=285, id=284, vol=2.336930e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB1) 2.365 0.699 0.699 weight 1.000 ! spec=Noesy, no=286, id=285, vol=6.646759e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name  HB1) 4.208 2.213 2.213 weight 1.000 ! spec=Noesy, no=287, id=286, vol=2.133730e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB1) 2.447 0.748 0.748 weight 1.000 ! spec=Noesy, no=288, id=287, vol=5.689877e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB2) 2.708 0.917 0.917 weight 1.000 ! spec=Noesy, no=289, id=288, vol=2.929577e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   39 and name  HB1) 4.404 2.424 2.424 weight 1.000 ! spec=Noesy, no=290, id=289, vol=1.661540e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid    9 and name  HB2) 3.598 1.618 1.618 weight 1.000 ! spec=Noesy, no=291, id=290, vol=5.661580e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    5 and name  HB1) 4.407 2.428 2.428 weight 1.000 ! spec=Noesy, no=292, id=291, vol=1.490690e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB1) 2.561 0.820 0.820 weight 1.000 ! spec=Noesy, no=293, id=292, vol=4.159647e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB2) 2.628 0.863 0.863 weight 1.000 ! spec=Noesy, no=294, id=293, vol=3.555252e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB2) 3.243 1.315 1.315 weight 1.000 ! spec=Noesy, no=295, id=294, vol=1.035540e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HG2) 3.543 1.569 1.569 weight 1.000 ! spec=Noesy, no=296, id=295, vol=5.853590e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB1) 3.054 1.166 1.166 weight 1.000 ! spec=Noesy, no=297, id=296, vol=1.505083e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   10 and name  HG2) 4.157 2.161 2.161 weight 1.000 ! spec=Noesy, no=298, id=297, vol=1.667130e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HG2) 3.568 1.591 1.591 weight 1.000 ! spec=Noesy, no=299, id=298, vol=5.980200e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HG1) 3.406 1.450 1.450 weight 1.000 ! spec=Noesy, no=300, id=299, vol=7.826100e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HG1) 3.803 1.808 1.808 weight 1.000 ! spec=Noesy, no=301, id=300, vol=3.923750e+05
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name  HG1) 3.445 1.484 1.484 weight 1.000 ! spec=Noesy, no=302, id=301, vol=8.048790e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name  HB1) 3.239 1.312 1.312 weight 1.000 ! spec=Noesy, no=303, id=302, vol=1.096460e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HG2) 2.986 1.114 1.114 weight 1.000 ! spec=Noesy, no=304, id=303, vol=1.691927e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB2) 2.736 0.936 0.936 weight 1.000 ! spec=Noesy, no=305, id=304, vol=3.044773e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   10 and name  HB2) 3.986 1.986 1.986 weight 1.000 ! spec=Noesy, no=306, id=305, vol=2.628040e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HG1) 3.331 1.387 1.387 weight 1.000 ! spec=Noesy, no=307, id=306, vol=8.651070e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name   HB) 3.065 1.174 1.174 weight 1.000 ! spec=Noesy, no=312, id=311, vol=1.450026e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB2) 2.910 1.059 1.059 weight 1.000 ! spec=Noesy, no=313, id=312, vol=2.071872e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB1) 2.818 0.993 0.993 weight 1.000 ! spec=Noesy, no=314, id=313, vol=2.419984e+06
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name  HB2) 2.986 1.114 1.114 weight 1.000 ! spec=Noesy, no=315, id=314, vol=1.821858e+06
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   41 and name  HB2) 3.117 1.214 1.214 weight 1.000 ! spec=Noesy, no=316, id=315, vol=1.441559e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB2) 3.408 1.451 1.451 weight 1.000 ! spec=Noesy, no=317, id=316, vol=8.047040e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name   HG) 2.241 0.628 0.628 weight 1.000 ! spec=Noesy, no=320, id=319, vol=9.491896e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HG1) 2.640 0.871 0.871 weight 1.000 ! spec=Noesy, no=321, id=320, vol=3.453639e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HG2) 2.860 1.022 1.022 weight 1.000 ! spec=Noesy, no=322, id=321, vol=2.051734e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB2) 2.656 0.882 0.882 weight 1.000 ! spec=Noesy, no=323, id=322, vol=3.284988e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   30 and name  HB2) 3.736 1.745 1.745 weight 1.000 ! spec=Noesy, no=324, id=323, vol=4.932710e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HG1) 3.147 1.238 1.238 weight 1.000 ! spec=Noesy, no=325, id=324, vol=1.246228e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB2) 2.309 0.667 0.667 weight 1.000 ! spec=Noesy, no=326, id=325, vol=8.084497e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB1) 2.730 0.931 0.931 weight 1.000 ! spec=Noesy, no=327, id=326, vol=2.808673e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HG2) 3.265 1.332 1.332 weight 1.000 ! spec=Noesy, no=328, id=327, vol=9.712590e+05
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name  HB1) 3.212 1.289 1.289 weight 1.000 ! spec=Noesy, no=329, id=328, vol=1.185864e+06
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   41 and name  HB1) 2.955 1.091 1.091 weight 1.000 ! spec=Noesy, no=330, id=329, vol=1.976313e+06
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name   HB) 2.723 2.723 3.277 weight 1.000 ! spec=Noesy, no=332, id=331, vol=3.110387e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   12 and name  HB1) 3.888 1.889 1.889 weight 1.000 ! spec=Noesy, no=333, id=332, vol=3.533860e+05
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name  HB2) 3.090 3.090 2.910 weight 1.000 ! spec=Noesy, no=334, id=333, vol=1.476463e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB1) 3.293 1.355 1.355 weight 1.000 ! spec=Noesy, no=335, id=334, vol=9.701720e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   40 and name  HB2) 3.223 1.299 1.299 weight 1.000 ! spec=Noesy, no=336, id=335, vol=1.181396e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HB1) 3.155 1.245 1.245 weight 1.000 ! spec=Noesy, no=338, id=337, vol=1.282243e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HB2) 2.913 1.060 1.060 weight 1.000 ! spec=Noesy, no=339, id=338, vol=1.970254e+06
assign (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   42 and name HG12) 3.304 1.365 1.365 weight 1.000 ! spec=Noesy, no=340, id=339, vol=8.871820e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    8 and name HG23) 3.391 1.437 1.437 weight 1.000 ! spec=Noesy, no=341, id=340, vol=7.864120e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    8 and name HG21)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    8 and name HG22)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid    8 and name HG23) 3.387 1.434 1.434 weight 1.000 ! spec=Noesy, no=342, id=341, vol=7.769930e+05
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid    8 and name HG21)
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid    8 and name HG22)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   37 and name HG23) 3.711 1.721 1.721 weight 1.000 ! spec=Noesy, no=343, id=342, vol=4.568390e+05
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   37 and name HG22)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name HG12) 3.664 1.678 1.678 weight 1.000 ! spec=Noesy, no=344, id=343, vol=5.210360e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name HG11) 3.775 1.781 1.781 weight 1.000 ! spec=Noesy, no=345, id=344, vol=4.320360e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name HG21) 2.887 1.042 1.042 weight 1.000 ! spec=Noesy, no=346, id=345, vol=2.111462e+06
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name HG22)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name HG23)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    3 and name HG21) 3.862 1.864 1.864 weight 1.000 ! spec=Noesy, no=347, id=346, vol=3.655800e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    3 and name HG22)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    3 and name HG23)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   12 and name  HG2) 4.237 2.244 2.244 weight 1.000 ! spec=Noesy, no=348, id=347, vol=1.905720e+05
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name HG12) 2.963 1.098 1.098 weight 1.000 ! spec=Noesy, no=349, id=348, vol=1.913161e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HG2) 3.946 1.946 1.946 weight 1.000 ! spec=Noesy, no=351, id=350, vol=3.398320e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HB1) 3.049 1.162 1.162 weight 1.000 ! spec=Noesy, no=352, id=351, vol=1.575218e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HB2) 3.309 1.369 1.369 weight 1.000 ! spec=Noesy, no=353, id=352, vol=9.422420e+05
assign (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   42 and name HG11) 3.899 1.900 1.900 weight 1.000 ! spec=Noesy, no=354, id=353, vol=2.113500e+05
assign (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   17 and name HG23) 2.777 0.964 0.964 weight 1.000 ! spec=Noesy, no=355, id=354, vol=2.155623e+06
    or (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   17 and name HG21)
    or (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   17 and name HG22)
assign (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   42 and name HD13) 3.315 1.373 1.373 weight 1.000 ! spec=Noesy, no=356, id=355, vol=7.445270e+05
    or (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   42 and name HD12)
    or (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   42 and name HD11)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HD23) 3.274 1.340 1.340 weight 1.000 ! spec=Noesy, no=357, id=356, vol=1.012894e+06
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HD22)
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HD21)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name  HB2) 2.538 0.805 0.805 weight 1.000 ! spec=Noesy, no=358, id=357, vol=4.101235e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name   HG) 3.468 1.503 1.503 weight 1.000 ! spec=Noesy, no=359, id=358, vol=5.937470e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name HG22) 2.360 0.696 0.696 weight 1.000 ! spec=Noesy, no=360, id=359, vol=6.816074e+06
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name HG23)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name HD11) 3.226 1.301 1.301 weight 1.000 ! spec=Noesy, no=361, id=360, vol=9.538170e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name HD13)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name HD12)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name HD12) 2.705 0.915 0.915 weight 1.000 ! spec=Noesy, no=362, id=361, vol=2.641272e+06
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name HD11)
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name HD13)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name HD23) 2.841 1.009 1.009 weight 1.000 ! spec=Noesy, no=363, id=362, vol=2.196941e+06
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name HD22)
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name HD21)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name HG11) 2.984 1.113 1.113 weight 1.000 ! spec=Noesy, no=364, id=363, vol=1.843669e+06
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name HG23) 3.117 1.215 1.215 weight 1.000 ! spec=Noesy, no=365, id=364, vol=1.448366e+06
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name HG21)
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name HG22)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name  HB1) 3.046 1.160 1.160 weight 1.000 ! spec=Noesy, no=366, id=365, vol=1.359596e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name HD22) 3.461 1.497 1.497 weight 1.000 ! spec=Noesy, no=367, id=366, vol=6.219940e+05
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name HD21)
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name HD23)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   33 and name  HB1) 3.676 1.689 1.689 weight 1.000 ! spec=Noesy, no=368, id=367, vol=4.969040e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   33 and name HD22) 4.300 2.311 2.311 weight 1.000 ! spec=Noesy, no=369, id=368, vol=1.854460e+05
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   33 and name HD21)
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   33 and name HD23)
assign (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   33 and name HD22) 2.630 0.865 0.865 weight 1.000 ! spec=Noesy, no=370, id=369, vol=3.154392e+06
    or (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   33 and name HD21)
    or (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   33 and name HD23)
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   33 and name HD22) 3.043 1.158 1.158 weight 1.000 ! spec=Noesy, no=371, id=370, vol=1.289386e+06
    or (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   33 and name HD21)
    or (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   33 and name HD23)
assign (segid "   A" and resid   36 and name  HH2) (segid "   A" and resid   33 and name HD22) 2.936 1.078 1.078 weight 1.000 ! spec=Noesy, no=372, id=371, vol=1.943120e+06
    or (segid "   A" and resid   36 and name  HH2) (segid "   A" and resid   33 and name HD21)
    or (segid "   A" and resid   36 and name  HH2) (segid "   A" and resid   33 and name HD23)
assign (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   33 and name HD22) 3.460 1.497 1.497 weight 1.000 ! spec=Noesy, no=373, id=372, vol=6.732840e+05
    or (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   33 and name HD21)
    or (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   33 and name HD23)
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   33 and name HD22) 3.526 1.554 1.554 weight 1.000 ! spec=Noesy, no=374, id=373, vol=6.168060e+05
    or (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   33 and name HD21)
    or (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   33 and name HD23)
assign (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   33 and name  HB1) 4.402 2.422 2.422 weight 1.000 ! spec=Noesy, no=375, id=374, vol=1.959310e+05
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   33 and name  HB1) 2.669 0.891 0.891 weight 1.000 ! spec=Noesy, no=376, id=375, vol=2.899448e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB1) 2.661 0.885 0.885 weight 1.000 ! spec=Noesy, no=377, id=376, vol=3.715318e+06
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   33 and name  HB1) 4.006 2.006 2.006 weight 1.000 ! spec=Noesy, no=378, id=377, vol=3.206730e+05
assign (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   33 and name HD12) 3.713 1.724 1.724 weight 1.000 ! spec=Noesy, no=379, id=378, vol=4.905300e+05
    or (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   33 and name HD11)
    or (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   33 and name HD13)
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   33 and name HD12) 3.499 1.531 1.531 weight 1.000 ! spec=Noesy, no=380, id=379, vol=5.423290e+05
    or (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   33 and name HD11)
    or (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   33 and name HD13)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name HD12) 3.179 1.263 1.263 weight 1.000 ! spec=Noesy, no=381, id=380, vol=1.218839e+06
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name HD11)
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name HD13)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HD11) 3.249 1.319 1.319 weight 1.000 ! spec=Noesy, no=382, id=381, vol=1.082141e+06
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HD13)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HD12)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HG22) 2.958 1.094 1.094 weight 1.000 ! spec=Noesy, no=383, id=382, vol=1.888939e+06
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HG23)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   17 and name HG11) 3.139 1.232 1.232 weight 1.000 ! spec=Noesy, no=384, id=383, vol=1.355224e+06
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   17 and name HG13)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   17 and name HG12)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   33 and name  HB2) 3.458 1.494 1.494 weight 1.000 ! spec=Noesy, no=385, id=384, vol=7.310090e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name HG22) 4.090 2.091 2.091 weight 1.000 ! spec=Noesy, no=386, id=385, vol=2.554200e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name HG23)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name HD11) 3.867 1.869 1.869 weight 1.000 ! spec=Noesy, no=387, id=386, vol=3.602720e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name HD13)
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name HD12)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   21 and name HD11) 3.146 1.237 1.237 weight 1.000 ! spec=Noesy, no=388, id=387, vol=1.139970e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   21 and name HD13)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   21 and name HD12)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   21 and name HG22) 3.514 1.544 1.544 weight 1.000 ! spec=Noesy, no=389, id=388, vol=5.633190e+05
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   21 and name HG23)
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   33 and name  HB2) 2.588 0.837 0.837 weight 1.000 ! spec=Noesy, no=390, id=389, vol=3.561818e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB2) 2.890 1.044 1.044 weight 1.000 ! spec=Noesy, no=392, id=391, vol=2.198799e+06
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   17 and name HG23) 2.534 0.802 0.802 weight 1.000 ! spec=Noesy, no=394, id=393, vol=3.649963e+06
    or (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   17 and name HG21)
    or (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   17 and name HG22)
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   42 and name HD13) 3.323 1.380 1.380 weight 1.000 ! spec=Noesy, no=395, id=394, vol=7.428200e+05
    or (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   42 and name HD12)
    or (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   42 and name HD11)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name   HG) 2.693 0.907 0.907 weight 1.000 ! spec=Noesy, no=398, id=397, vol=3.394131e+06
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   33 and name   HG) 3.745 1.753 1.753 weight 1.000 ! spec=Noesy, no=399, id=398, vol=3.575970e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HG11) 3.003 1.127 1.127 weight 1.000 ! spec=Noesy, no=401, id=400, vol=2.021636e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HG12) 2.725 0.928 0.928 weight 1.000 ! spec=Noesy, no=402, id=401, vol=3.316557e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name HG12) 3.637 1.654 1.654 weight 1.000 ! spec=Noesy, no=403, id=402, vol=5.476190e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HB1) 3.262 1.330 1.330 weight 1.000 ! spec=Noesy, no=406, id=405, vol=1.108580e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB1) 2.383 0.710 0.710 weight 1.000 ! spec=Noesy, no=407, id=406, vol=6.804269e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   21 and name HG12) 3.212 1.290 1.290 weight 1.000 ! spec=Noesy, no=410, id=409, vol=1.075713e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   21 and name HG11) 3.198 1.279 1.279 weight 1.000 ! spec=Noesy, no=411, id=410, vol=1.085296e+06
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    3 and name HG21) 4.118 2.119 2.119 weight 1.000 ! spec=Noesy, no=412, id=411, vol=2.412060e+05
    or (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    3 and name HG22)
    or (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    3 and name HG23)
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    3 and name HG21)
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    3 and name HG22)
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    3 and name HG23)
assign (segid "   A" and resid    6 and name  HE2) (segid "   A" and resid    8 and name HG23) 3.782 1.788 1.788 weight 1.000 ! spec=Noesy, no=413, id=412, vol=3.985230e+05
    or (segid "   A" and resid    6 and name  HE2) (segid "   A" and resid    8 and name HG21)
    or (segid "   A" and resid    6 and name  HE2) (segid "   A" and resid    8 and name HG22)
    or (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid    8 and name HG23)
    or (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid    8 and name HG21)
    or (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid    8 and name HG22)
assign (segid "   A" and resid    6 and name   HZ) (segid "   A" and resid    8 and name HG23) 3.566 1.589 1.589 weight 1.000 ! spec=Noesy, no=414, id=413, vol=4.726880e+05
    or (segid "   A" and resid    6 and name   HZ) (segid "   A" and resid    8 and name HG21)
    or (segid "   A" and resid    6 and name   HZ) (segid "   A" and resid    8 and name HG22)
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    8 and name HG23) 3.729 1.738 1.738 weight 1.000 ! spec=Noesy, no=415, id=414, vol=4.132930e+05
    or (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    8 and name HG21)
    or (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    8 and name HG22)
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    8 and name HG23)
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    8 and name HG21)
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    8 and name HG22)
assign (segid "   A" and resid   27 and name HE21) (segid "   A" and resid   12 and name  HG2) 4.025 2.025 2.025 weight 1.000 ! spec=Noesy, no=416, id=415, vol=2.642930e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HG2) 2.812 0.988 0.988 weight 1.000 ! spec=Noesy, no=417, id=416, vol=2.638124e+06
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   22 and name  HG2) 3.823 1.827 1.827 weight 1.000 ! spec=Noesy, no=418, id=417, vol=3.840690e+05
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid   30 and name  HB1) 3.496 1.527 1.527 weight 1.000 ! spec=Noesy, no=419, id=418, vol=6.394630e+05
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid   30 and name  HB1)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HG1) 2.907 1.057 1.057 weight 1.000 ! spec=Noesy, no=420, id=419, vol=2.271979e+06
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid   30 and name  HB2) 3.506 1.536 1.536 weight 1.000 ! spec=Noesy, no=422, id=421, vol=6.666680e+05
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid   30 and name  HB2)
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   22 and name  HG1) 3.704 1.715 1.715 weight 1.000 ! spec=Noesy, no=423, id=422, vol=4.576730e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB1) 2.412 0.727 0.727 weight 1.000 ! spec=Noesy, no=426, id=425, vol=6.669003e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HB2) 3.491 1.524 1.524 weight 1.000 ! spec=Noesy, no=428, id=427, vol=6.665740e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB2) 2.537 0.805 0.805 weight 1.000 ! spec=Noesy, no=430, id=429, vol=4.753183e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name   HB) 3.849 1.852 1.852 weight 1.000 ! spec=Noesy, no=432, id=431, vol=4.270690e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name   HB) 2.286 0.653 0.653 weight 1.000 ! spec=Noesy, no=433, id=432, vol=9.319642e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   41 and name  HB2) 4.019 2.019 2.019 weight 1.000 ! spec=Noesy, no=434, id=433, vol=2.979340e+05
assign (segid "   A" and resid   27 and name HE21) (segid "   A" and resid   12 and name  HB1) 3.393 1.439 1.439 weight 1.000 ! spec=Noesy, no=437, id=436, vol=7.951180e+05
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   42 and name   HB) 3.425 1.466 1.466 weight 1.000 ! spec=Noesy, no=438, id=437, vol=6.970500e+05
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   41 and name  HB1) 3.726 1.736 1.736 weight 1.000 ! spec=Noesy, no=439, id=438, vol=3.726660e+05
assign (segid "   A" and resid   27 and name HE21) (segid "   A" and resid   27 and name  HG1) 3.178 1.262 1.262 weight 1.000 ! spec=Noesy, no=441, id=440, vol=1.153549e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HG1) 3.578 1.600 1.600 weight 1.000 ! spec=Noesy, no=442, id=441, vol=6.221980e+05
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   35 and name  HB2) 3.236 3.236 2.764 weight 1.000 ! spec=Noesy, no=443, id=442, vol=1.020421e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   21 and name   HB) 3.298 1.359 1.359 weight 1.000 ! spec=Noesy, no=444, id=443, vol=8.678410e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HB) 2.318 0.672 0.672 weight 1.000 ! spec=Noesy, no=445, id=444, vol=7.646094e+06
assign (segid "   A" and resid   35 and name   HE) (segid "   A" and resid   35 and name  HB2) 3.465 1.501 1.501 weight 1.000 ! spec=Noesy, no=446, id=445, vol=6.718810e+05
assign (segid "   A" and resid   27 and name HE21) (segid "   A" and resid   12 and name  HB2) 3.390 1.436 1.436 weight 1.000 ! spec=Noesy, no=447, id=446, vol=7.859420e+05
assign (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   17 and name   HB) 4.040 2.040 2.040 weight 1.000 ! spec=Noesy, no=449, id=448, vol=2.856210e+05
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   17 and name   HB) 3.838 1.842 1.842 weight 1.000 ! spec=Noesy, no=450, id=449, vol=3.974550e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HG1) 4.206 2.211 2.211 weight 1.000 ! spec=Noesy, no=451, id=450, vol=2.313490e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HG2) 3.841 1.844 1.844 weight 1.000 ! spec=Noesy, no=452, id=451, vol=4.104590e+05
assign (segid "   A" and resid   10 and name HE21) (segid "   A" and resid   10 and name  HG1) 2.959 1.094 1.094 weight 1.000 ! spec=Noesy, no=453, id=452, vol=1.508722e+06
assign (segid "   A" and resid   10 and name HE21) (segid "   A" and resid   10 and name  HG2) 2.802 0.981 0.981 weight 1.000 ! spec=Noesy, no=454, id=453, vol=2.102313e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   18 and name   HA) 3.693 1.705 1.705 weight 1.000 ! spec=Noesy, no=456, id=455, vol=4.918530e+05
assign (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   18 and name   HA) 3.528 1.556 1.556 weight 1.000 ! spec=Noesy, no=457, id=456, vol=6.844840e+05
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   18 and name   HA) 2.993 1.120 1.120 weight 1.000 ! spec=Noesy, no=458, id=457, vol=1.452525e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HA) 2.686 0.902 0.902 weight 1.000 ! spec=Noesy, no=459, id=458, vol=3.019738e+06
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   35 and name  HB1) 2.852 2.852 3.148 weight 1.000 ! spec=Noesy, no=460, id=459, vol=1.947563e+06
assign (segid "   A" and resid   35 and name   HE) (segid "   A" and resid   35 and name  HB1) 3.675 1.688 1.688 weight 1.000 ! spec=Noesy, no=461, id=460, vol=4.688980e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HB2) 3.562 1.586 1.586 weight 1.000 ! spec=Noesy, no=462, id=461, vol=6.498510e+05
assign (segid "   A" and resid   27 and name HE21) (segid "   A" and resid   27 and name  HG2) 3.013 1.135 1.135 weight 1.000 ! spec=Noesy, no=463, id=462, vol=1.595181e+06
assign (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   18 and name   HA) 3.685 1.698 1.698 weight 1.000 ! spec=Noesy, no=464, id=463, vol=4.728750e+05
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   18 and name   HA) 3.388 1.435 1.435 weight 1.000 ! spec=Noesy, no=465, id=464, vol=8.424480e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid    9 and name  HB2) 4.177 2.180 2.180 weight 1.000 ! spec=Noesy, no=466, id=465, vol=2.128260e+05
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   39 and name  HB1) 4.142 2.144 2.144 weight 1.000 ! spec=Noesy, no=467, id=466, vol=2.598970e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   19 and name  HD2) 3.822 1.826 1.826 weight 1.000 ! spec=Noesy, no=468, id=467, vol=3.900360e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   11 and name  HB2) 4.202 2.208 2.208 weight 1.000 ! spec=Noesy, no=469, id=468, vol=2.275090e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name  HB1) 4.174 2.178 2.178 weight 1.000 ! spec=Noesy, no=470, id=469, vol=2.367490e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HD2) 3.436 1.476 1.476 weight 1.000 ! spec=Noesy, no=471, id=470, vol=7.585790e+05
assign (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   19 and name  HD2) 4.138 2.140 2.140 weight 1.000 ! spec=Noesy, no=472, id=471, vol=2.772810e+05
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    5 and name  HB1) 3.966 1.966 1.966 weight 1.000 ! spec=Noesy, no=473, id=472, vol=3.129660e+05
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    5 and name  HB1)
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   39 and name  HB1) 3.542 1.568 1.568 weight 1.000 ! spec=Noesy, no=474, id=473, vol=4.805740e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HB2) 3.019 1.139 1.139 weight 1.000 ! spec=Noesy, no=475, id=474, vol=2.023878e+06
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid   11 and name  HB2) 3.449 1.487 1.487 weight 1.000 ! spec=Noesy, no=476, id=475, vol=5.576320e+05
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   19 and name  HD2) 4.173 2.177 2.177 weight 1.000 ! spec=Noesy, no=477, id=476, vol=1.977470e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   38 and name  HB2) 3.537 1.564 1.564 weight 1.000 ! spec=Noesy, no=478, id=477, vol=6.257890e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   31 and name  HB1) 3.581 1.603 1.603 weight 1.000 ! spec=Noesy, no=479, id=478, vol=5.984720e+05
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   39 and name  HB2) 4.119 2.121 2.121 weight 1.000 ! spec=Noesy, no=481, id=480, vol=2.594670e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name  HB1) 2.758 0.951 0.951 weight 1.000 ! spec=Noesy, no=482, id=481, vol=2.782044e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name  HB2) 2.399 0.720 0.720 weight 1.000 ! spec=Noesy, no=483, id=482, vol=6.473550e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   14 and name  HA1) 3.585 1.607 1.607 weight 1.000 ! spec=Noesy, no=484, id=483, vol=6.995960e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HA1) 2.387 0.712 0.712 weight 1.000 ! spec=Noesy, no=485, id=484, vol=6.954767e+06
assign (segid "   A" and resid   10 and name HE21) (segid "   A" and resid    9 and name  HB1) 3.753 1.761 1.761 weight 1.000 ! spec=Noesy, no=486, id=485, vol=4.702910e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   18 and name  HB2) 3.452 1.489 1.489 weight 1.000 ! spec=Noesy, no=487, id=486, vol=7.295800e+05
assign (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   18 and name  HB2) 3.052 1.164 1.164 weight 1.000 ! spec=Noesy, no=488, id=487, vol=1.654795e+06
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   19 and name  HD2) 2.526 0.797 0.797 weight 1.000 ! spec=Noesy, no=489, id=488, vol=4.205851e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB2) 2.342 0.686 0.686 weight 1.000 ! spec=Noesy, no=490, id=489, vol=6.935641e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HB1) 2.798 0.978 0.978 weight 1.000 ! spec=Noesy, no=491, id=490, vol=2.723224e+06
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid   12 and name  HE1) 3.473 1.508 1.508 weight 1.000 ! spec=Noesy, no=492, id=491, vol=5.592290e+05
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    6 and name  HB1) 2.548 0.811 0.811 weight 1.000 ! spec=Noesy, no=493, id=492, vol=4.672146e+06
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    6 and name  HB1)
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   15 and name  HB2) 2.539 0.806 0.806 weight 1.000 ! spec=Noesy, no=494, id=493, vol=3.577162e+06
assign (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   18 and name  HB2) 3.562 1.586 1.586 weight 1.000 ! spec=Noesy, no=495, id=494, vol=5.896420e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name  HB2) 3.423 3.423 2.577 weight 1.000 ! spec=Noesy, no=496, id=495, vol=7.855320e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HD1) 2.929 1.072 1.072 weight 1.000 ! spec=Noesy, no=497, id=496, vol=1.936422e+06
assign (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   19 and name  HD1) 3.755 1.762 1.762 weight 1.000 ! spec=Noesy, no=498, id=497, vol=4.934250e+05
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   36 and name  HB1) 2.918 1.064 1.064 weight 1.000 ! spec=Noesy, no=499, id=498, vol=1.653293e+06
assign (segid "   A" and resid    6 and name  HE2) (segid "   A" and resid    6 and name  HB2) 3.458 1.494 1.494 weight 1.000 ! spec=Noesy, no=500, id=499, vol=6.653510e+05
    or (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   36 and name  HB2) 2.747 0.943 0.943 weight 1.000 ! spec=Noesy, no=501, id=500, vol=2.467794e+06
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   19 and name  HD1) 2.838 1.007 1.007 weight 1.000 ! spec=Noesy, no=503, id=502, vol=2.031634e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name  HD1) 3.502 1.533 1.533 weight 1.000 ! spec=Noesy, no=504, id=503, vol=6.378450e+05
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid    7 and name  HB1) 2.598 2.598 3.402 weight 1.000 ! spec=Noesy, no=505, id=504, vol=3.025654e+06
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid    7 and name  HB2) 2.613 2.613 3.387 weight 1.000 ! spec=Noesy, no=506, id=505, vol=2.815027e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   36 and name  HB2) 3.451 1.489 1.489 weight 1.000 ! spec=Noesy, no=508, id=507, vol=7.948400e+05
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    6 and name  HB2) 2.629 0.864 0.864 weight 1.000 ! spec=Noesy, no=510, id=509, vol=3.843587e+06
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid   27 and name HE21) (segid "   A" and resid   14 and name  HA1) 3.915 1.916 1.916 weight 1.000 ! spec=Noesy, no=512, id=511, vol=3.449050e+05
assign (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   36 and name  HB1) 2.953 2.953 3.047 weight 1.000 ! spec=Noesy, no=513, id=512, vol=1.733049e+06
assign (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   16 and name  HB2) 2.788 0.971 0.971 weight 1.000 ! spec=Noesy, no=514, id=513, vol=2.498858e+06
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   16 and name  HB2) 2.327 0.677 0.677 weight 1.000 ! spec=Noesy, no=515, id=514, vol=8.380127e+06
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   36 and name  HB1) 2.441 0.745 0.745 weight 1.000 ! spec=Noesy, no=516, id=515, vol=6.185722e+06
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   16 and name  HB1) 2.682 0.899 0.899 weight 1.000 ! spec=Noesy, no=517, id=516, vol=3.538811e+06
assign (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   16 and name  HB1) 3.157 1.246 1.246 weight 1.000 ! spec=Noesy, no=518, id=517, vol=1.197181e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB1) 2.681 0.899 0.899 weight 1.000 ! spec=Noesy, no=519, id=518, vol=3.054479e+06
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   18 and name  HB1) 3.535 1.562 1.562 weight 1.000 ! spec=Noesy, no=520, id=519, vol=7.284660e+05
assign (segid "   A" and resid   36 and name  HH2) (segid "   A" and resid   18 and name  HB1) 3.441 1.480 1.480 weight 1.000 ! spec=Noesy, no=522, id=521, vol=7.143360e+05
assign (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   18 and name  HB1) 3.844 1.847 1.847 weight 1.000 ! spec=Noesy, no=523, id=522, vol=3.504370e+05
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   18 and name  HB1) 4.189 2.193 2.193 weight 1.000 ! spec=Noesy, no=524, id=523, vol=1.908600e+05
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   31 and name  HB2) 3.490 1.523 1.523 weight 1.000 ! spec=Noesy, no=525, id=524, vol=7.033350e+05
assign (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   31 and name  HB2) 4.346 2.361 2.361 weight 1.000 ! spec=Noesy, no=526, id=525, vol=1.725080e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   31 and name  HB2) 3.024 1.143 1.143 weight 1.000 ! spec=Noesy, no=527, id=526, vol=1.673813e+06
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   31 and name  HB2) 4.049 2.049 2.049 weight 1.000 ! spec=Noesy, no=528, id=527, vol=2.402950e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   38 and name  HB1) 3.573 1.596 1.596 weight 1.000 ! spec=Noesy, no=529, id=528, vol=5.884140e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   31 and name  HB2) 3.686 1.698 1.698 weight 1.000 ! spec=Noesy, no=530, id=529, vol=4.796530e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   18 and name  HB1) 3.244 1.315 1.315 weight 1.000 ! spec=Noesy, no=531, id=530, vol=1.045541e+06
assign (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   18 and name  HB1) 3.001 1.126 1.126 weight 1.000 ! spec=Noesy, no=532, id=531, vol=1.835192e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name  HA2) 2.971 1.103 1.103 weight 1.000 ! spec=Noesy, no=533, id=532, vol=1.861787e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name  HA2) 2.166 0.586 0.586 weight 1.000 ! spec=Noesy, no=534, id=533, vol=1.112797e+07
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HA1) 2.809 0.986 0.986 weight 1.000 ! spec=Noesy, no=535, id=534, vol=2.431262e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name   HA) 2.844 1.011 1.011 weight 1.000 ! spec=Noesy, no=536, id=535, vol=2.263566e+06
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name   HA) 2.771 0.960 0.960 weight 1.000 ! spec=Noesy, no=537, id=536, vol=2.769962e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name   HA) 2.952 1.089 1.089 weight 1.000 ! spec=Noesy, no=538, id=537, vol=1.806248e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name   HA) 2.499 0.781 0.781 weight 1.000 ! spec=Noesy, no=539, id=538, vol=5.237648e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name   HA) 2.500 0.781 0.781 weight 1.000 ! spec=Noesy, no=540, id=539, vol=5.105647e+06
assign (segid "   A" and resid    6 and name  HE2) (segid "   A" and resid    4 and name  HB1) 4.072 2.072 2.072 weight 1.000 ! spec=Noesy, no=541, id=540, vol=2.587730e+05
    or (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid    4 and name  HB1)
assign (segid "   A" and resid    6 and name   HZ) (segid "   A" and resid    4 and name  HB1) 3.990 1.990 1.990 weight 1.000 ! spec=Noesy, no=542, id=541, vol=2.200200e+05
assign (segid "   A" and resid    6 and name   HZ) (segid "   A" and resid    4 and name  HB2) 3.820 1.824 1.824 weight 1.000 ! spec=Noesy, no=543, id=542, vol=3.128840e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   13 and name  HA2) 3.690 1.702 1.702 weight 1.000 ! spec=Noesy, no=544, id=543, vol=5.344080e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HD1) 3.542 1.568 1.568 weight 1.000 ! spec=Noesy, no=545, id=544, vol=6.435700e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HD2) 3.070 1.178 1.178 weight 1.000 ! spec=Noesy, no=546, id=545, vol=1.516084e+06
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    4 and name  HB2) 3.827 1.831 1.831 weight 1.000 ! spec=Noesy, no=547, id=546, vol=3.442320e+05
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    4 and name  HB2)
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    4 and name  HB1) 4.073 2.073 2.073 weight 1.000 ! spec=Noesy, no=548, id=547, vol=2.168450e+05
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    4 and name  HB1)
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   32 and name  HD2) 4.141 2.144 2.144 weight 1.000 ! spec=Noesy, no=549, id=548, vol=2.591600e+05
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   35 and name   HA) 3.507 1.538 1.538 weight 1.000 ! spec=Noesy, no=550, id=549, vol=5.627680e+05
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   34 and name   HA) 3.546 1.571 1.571 weight 1.000 ! spec=Noesy, no=551, id=550, vol=5.141570e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   13 and name  HA1) 3.216 3.216 2.784 weight 1.000 ! spec=Noesy, no=552, id=551, vol=1.272768e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name   HA) 3.101 1.202 1.202 weight 1.000 ! spec=Noesy, no=553, id=552, vol=1.406767e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name  HA1) 2.590 0.838 0.838 weight 1.000 ! spec=Noesy, no=554, id=553, vol=4.220034e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name  HA1) 2.435 0.741 0.741 weight 1.000 ! spec=Noesy, no=555, id=554, vol=6.309560e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name   HA) 3.198 1.278 1.278 weight 1.000 ! spec=Noesy, no=556, id=555, vol=1.183338e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    4 and name   HA) 3.572 1.595 1.595 weight 1.000 ! spec=Noesy, no=557, id=556, vol=5.893340e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name   HA) 2.102 0.552 0.552 weight 1.000 ! spec=Noesy, no=558, id=557, vol=1.369708e+07
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name   HA) 2.657 0.882 0.882 weight 1.000 ! spec=Noesy, no=559, id=558, vol=3.577457e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HA2) 2.651 0.879 0.879 weight 1.000 ! spec=Noesy, no=560, id=559, vol=3.886639e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HA) 2.624 0.861 0.861 weight 1.000 ! spec=Noesy, no=561, id=560, vol=3.728480e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   19 and name   HA) 3.179 1.263 1.263 weight 1.000 ! spec=Noesy, no=562, id=561, vol=1.275931e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name   HA) 2.744 0.941 0.941 weight 1.000 ! spec=Noesy, no=563, id=562, vol=2.852498e+06
assign (segid "   A" and resid    6 and name  HE2) (segid "   A" and resid    4 and name   HA) 3.892 1.894 1.894 weight 1.000 ! spec=Noesy, no=565, id=564, vol=3.577370e+05
    or (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid    4 and name   HA)
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    8 and name   HA) 3.488 1.521 1.521 weight 1.000 ! spec=Noesy, no=566, id=565, vol=6.707970e+05
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    8 and name   HA)
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   14 and name  HA2) 2.891 1.045 1.045 weight 1.000 ! spec=Noesy, no=567, id=566, vol=1.721666e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name   HA) 2.761 0.953 0.953 weight 1.000 ! spec=Noesy, no=568, id=567, vol=2.704856e+06
assign (segid "   A" and resid    6 and name   HZ) (segid "   A" and resid    4 and name   HA) 3.504 1.535 1.535 weight 1.000 ! spec=Noesy, no=569, id=568, vol=5.221860e+05
assign (segid "   A" and resid    6 and name  HE2) (segid "   A" and resid    6 and name   HA) 3.452 3.452 2.548 weight 1.000 ! spec=Noesy, no=570, id=569, vol=6.059060e+05
    or (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid    6 and name   HA) 3.327 1.383 1.383 weight 1.000 ! spec=Noesy, no=571, id=570, vol=6.916010e+05
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    6 and name   HA) 2.635 2.635 3.365 weight 1.000 ! spec=Noesy, no=572, id=571, vol=3.737679e+06
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   41 and name   HA) 2.776 0.964 0.964 weight 1.000 ! spec=Noesy, no=573, id=572, vol=2.156229e+06
assign (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   17 and name   HA) 2.655 0.881 0.881 weight 1.000 ! spec=Noesy, no=574, id=573, vol=3.377541e+06
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   17 and name   HA) 2.607 0.849 0.849 weight 1.000 ! spec=Noesy, no=575, id=574, vol=3.927722e+06
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   38 and name   HA) 2.726 2.726 3.274 weight 1.000 ! spec=Noesy, no=576, id=575, vol=2.772407e+06
assign (segid "   A" and resid   36 and name  HH2) (segid "   A" and resid   17 and name   HA) 3.401 1.446 1.446 weight 1.000 ! spec=Noesy, no=577, id=576, vol=8.246750e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HA) 2.006 0.503 0.503 weight 1.000 ! spec=Noesy, no=578, id=577, vol=1.729404e+07
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   36 and name   HA) 2.547 0.811 0.811 weight 1.000 ! spec=Noesy, no=579, id=578, vol=3.914988e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HA) 2.131 0.567 0.567 weight 1.000 ! spec=Noesy, no=580, id=579, vol=1.314075e+07
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name   HA) 2.079 0.540 0.540 weight 1.000 ! spec=Noesy, no=581, id=580, vol=1.567690e+07
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   41 and name   HA) 2.918 1.064 1.064 weight 1.000 ! spec=Noesy, no=582, id=581, vol=1.996037e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name   HA) 2.994 1.120 1.120 weight 1.000 ! spec=Noesy, no=583, id=582, vol=1.744352e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name   HA) 2.651 0.878 0.878 weight 1.000 ! spec=Noesy, no=584, id=583, vol=3.497843e+06
assign (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   17 and name   HA) 4.267 2.276 2.276 weight 1.000 ! spec=Noesy, no=585, id=584, vol=2.344280e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   17 and name   HA) 4.432 2.455 2.455 weight 1.000 ! spec=Noesy, no=586, id=585, vol=1.753250e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name   HA) 4.182 2.186 2.186 weight 1.000 ! spec=Noesy, no=587, id=586, vol=2.454090e+05
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   39 and name   HA) 3.705 1.716 1.716 weight 1.000 ! spec=Noesy, no=588, id=587, vol=4.772240e+05
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid    7 and name   HA) 2.886 1.041 1.041 weight 1.000 ! spec=Noesy, no=589, id=588, vol=1.584589e+06
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    7 and name   HA) 4.092 2.093 2.093 weight 1.000 ! spec=Noesy, no=590, id=589, vol=2.873670e+05
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    7 and name   HA)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   31 and name   HA) 3.789 1.795 1.795 weight 1.000 ! spec=Noesy, no=591, id=590, vol=4.421430e+05
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   39 and name   HA) 4.158 2.162 2.162 weight 1.000 ! spec=Noesy, no=592, id=591, vol=1.915150e+05
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   16 and name   HA) 3.294 1.356 1.356 weight 1.000 ! spec=Noesy, no=593, id=592, vol=1.012727e+06
assign (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   16 and name   HA) 3.837 1.840 1.840 weight 1.000 ! spec=Noesy, no=594, id=593, vol=3.609980e+05
assign (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   27 and name   HA) 4.271 2.280 2.280 weight 1.000 ! spec=Noesy, no=595, id=594, vol=1.737100e+05
assign (segid "   A" and resid   10 and name HE22) (segid "   A" and resid   32 and name  HD2) 4.229 2.236 2.236 weight 1.000 ! spec=Noesy, no=596, id=595, vol=1.658020e+05
assign (segid "   A" and resid   10 and name HE22) (segid "   A" and resid   32 and name  HD1) 4.212 2.217 2.217 weight 1.000 ! spec=Noesy, no=597, id=596, vol=1.741140e+05
assign (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   38 and name  HB2) 3.862 1.864 1.864 weight 1.000 ! spec=Noesy, no=598, id=597, vol=3.316560e+05
assign (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   12 and name  HE1) 4.293 2.304 2.304 weight 1.000 ! spec=Noesy, no=599, id=598, vol=1.816100e+05
assign (segid "   A" and resid   10 and name HE22) (segid "   A" and resid   10 and name  HG2) 3.272 1.338 1.338 weight 1.000 ! spec=Noesy, no=600, id=599, vol=8.429220e+05
assign (segid "   A" and resid   10 and name HE22) (segid "   A" and resid   10 and name  HG1) 3.428 1.469 1.469 weight 1.000 ! spec=Noesy, no=601, id=600, vol=6.219950e+05
assign (segid "   A" and resid   10 and name HE22) (segid "   A" and resid   10 and name  HB1) 4.161 2.164 2.164 weight 1.000 ! spec=Noesy, no=602, id=601, vol=2.075320e+05
assign (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   27 and name  HG2) 3.290 1.353 1.353 weight 1.000 ! spec=Noesy, no=603, id=602, vol=8.768630e+05
assign (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   12 and name  HB2) 3.001 1.126 1.126 weight 1.000 ! spec=Noesy, no=604, id=603, vol=1.517104e+06
assign (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   27 and name  HG1) 3.433 1.473 1.473 weight 1.000 ! spec=Noesy, no=605, id=604, vol=6.791620e+05
assign (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   12 and name  HB1) 3.136 1.229 1.229 weight 1.000 ! spec=Noesy, no=607, id=606, vol=1.161403e+06
assign (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   28 and name   HG) 3.781 1.787 1.787 weight 1.000 ! spec=Noesy, no=608, id=607, vol=4.109060e+05
assign (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   12 and name  HG2) 3.684 1.697 1.697 weight 1.000 ! spec=Noesy, no=610, id=609, vol=4.505740e+05
assign (segid "   A" and resid   10 and name HE22) (segid "   A" and resid    8 and name HG23) 4.318 2.331 2.331 weight 1.000 ! spec=Noesy, no=611, id=610, vol=1.615680e+05
    or (segid "   A" and resid   10 and name HE22) (segid "   A" and resid    8 and name HG21)
    or (segid "   A" and resid   10 and name HE22) (segid "   A" and resid    8 and name HG22)
assign (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   33 and name HD12) 4.327 2.341 2.341 weight 1.000 ! spec=Noesy, no=612, id=611, vol=1.562470e+05
    or (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   33 and name HD11)
    or (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   33 and name HD13)
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   33 and name HD12) 4.372 2.389 2.389 weight 1.000 ! spec=Noesy, no=613, id=612, vol=1.655130e+05
    or (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   33 and name HD11)
    or (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   33 and name HD13)
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   38 and name   HA) 3.149 1.239 1.239 weight 1.000 ! spec=Noesy, no=614, id=613, vol=1.415716e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name   HA) 3.572 1.595 1.595 weight 1.000 ! spec=Noesy, no=615, id=614, vol=6.254090e+05
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   37 and name   HA) 4.603 2.649 2.649 weight 1.000 ! spec=Noesy, no=616, id=615, vol=1.406990e+05
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   26 and name   HA) 2.787 0.971 0.971 weight 1.000 ! spec=Noesy, no=617, id=616, vol=2.703219e+06
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   30 and name   HA) 4.541 2.577 2.577 weight 1.000 ! spec=Noesy, no=618, id=617, vol=1.836550e+05
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   39 and name   HA) 3.770 1.776 1.776 weight 1.000 ! spec=Noesy, no=619, id=618, vol=4.295130e+05
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    7 and name   HA) 3.766 1.773 1.773 weight 1.000 ! spec=Noesy, no=620, id=619, vol=3.935700e+05
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   31 and name   HA) 3.676 1.689 1.689 weight 1.000 ! spec=Noesy, no=621, id=620, vol=4.699500e+05
assign (segid "   A" and resid   14 and name  HA2) (segid "   A" and resid   15 and name   HA) 4.887 2.985 2.985 weight 1.000 ! spec=Noesy, no=622, id=621, vol=1.168350e+05
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name   HB) 2.280 0.650 0.650 weight 1.000 ! spec=Noesy, no=623, id=622, vol=7.949924e+06
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   23 and name   HA) 3.627 1.645 1.645 weight 1.000 ! spec=Noesy, no=624, id=623, vol=5.177450e+05
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   15 and name   HA) 3.748 1.756 1.756 weight 1.000 ! spec=Noesy, no=625, id=624, vol=4.434310e+05
assign (segid "   A" and resid   42 and name   HA) (segid "   A" and resid   23 and name   HA) 3.022 1.141 1.141 weight 1.000 ! spec=Noesy, no=626, id=625, vol=1.549248e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   37 and name   HB) 4.334 2.348 2.348 weight 1.000 ! spec=Noesy, no=627, id=626, vol=2.007760e+05
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   31 and name  HB2) 4.285 2.295 2.295 weight 1.000 ! spec=Noesy, no=628, id=627, vol=2.196880e+05
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   38 and name  HB1) 4.456 2.482 2.482 weight 1.000 ! spec=Noesy, no=629, id=628, vol=1.647370e+05
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HB1) 3.200 1.280 1.280 weight 1.000 ! spec=Noesy, no=630, id=629, vol=1.356581e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HB2) 2.726 0.929 0.929 weight 1.000 ! spec=Noesy, no=631, id=630, vol=3.290544e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   36 and name  HB1) 3.994 1.994 1.994 weight 1.000 ! spec=Noesy, no=632, id=631, vol=3.312840e+05
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid    9 and name  HB1) 4.202 2.207 2.207 weight 1.000 ! spec=Noesy, no=634, id=633, vol=2.477820e+05
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   39 and name  HB1) 3.948 1.949 1.949 weight 1.000 ! spec=Noesy, no=635, id=634, vol=3.406310e+05
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name   HB) 4.262 2.271 2.271 weight 1.000 ! spec=Noesy, no=636, id=635, vol=2.375210e+05
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   37 and name HG23) 4.195 2.200 2.200 weight 1.000 ! spec=Noesy, no=637, id=636, vol=2.241010e+05
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   37 and name HG22)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    8 and name   HB) 4.231 2.237 2.237 weight 1.000 ! spec=Noesy, no=639, id=638, vol=2.708390e+05
assign (segid "   A" and resid   42 and name   HA) (segid "   A" and resid   41 and name   HA) 3.683 1.695 1.695 weight 1.000 ! spec=Noesy, no=640, id=639, vol=4.599850e+05
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   33 and name   HA) 3.572 1.595 1.595 weight 1.000 ! spec=Noesy, no=641, id=640, vol=4.947490e+05
assign (segid "   A" and resid    2 and name   HB) (segid "   A" and resid    2 and name   HA) 2.533 0.802 0.802 weight 1.000 ! spec=Noesy, no=642, id=641, vol=4.043543e+06
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    8 and name   HA) 4.204 2.209 2.209 weight 1.000 ! spec=Noesy, no=644, id=643, vol=2.803560e+05
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   22 and name   HA) 4.128 2.130 2.130 weight 1.000 ! spec=Noesy, no=645, id=644, vol=1.213510e+05
assign (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   37 and name   HA) 2.697 0.909 0.909 weight 1.000 ! spec=Noesy, no=646, id=645, vol=3.154489e+06
assign (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   36 and name   HA) 3.649 1.665 1.665 weight 1.000 ! spec=Noesy, no=647, id=646, vol=5.332660e+05
assign (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   38 and name   HA) 3.803 1.808 1.808 weight 1.000 ! spec=Noesy, no=648, id=647, vol=4.108870e+05
assign (segid "   A" and resid   29 and name  HA1) (segid "   A" and resid    9 and name   HA) 3.236 1.309 1.309 weight 1.000 ! spec=Noesy, no=649, id=648, vol=1.373453e+06
assign (segid "   A" and resid   13 and name  HA2) (segid "   A" and resid   13 and name  HA1) 2.330 0.679 0.679 weight 1.000 ! spec=Noesy, no=650, id=649, vol=5.155380e+05
assign (segid "   A" and resid   32 and name  HD2) (segid "   A" and resid   32 and name   HA) 3.796 1.801 1.801 weight 1.000 ! spec=Noesy, no=651, id=650, vol=3.737460e+05
assign (segid "   A" and resid   29 and name  HA2) (segid "   A" and resid    9 and name   HA) 3.075 1.182 1.182 weight 1.000 ! spec=Noesy, no=652, id=651, vol=1.452572e+06
assign (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    4 and name   HA) 2.888 1.043 1.043 weight 1.000 ! spec=Noesy, no=653, id=652, vol=2.120121e+06
assign (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    4 and name   HA) 2.723 0.927 0.927 weight 1.000 ! spec=Noesy, no=654, id=653, vol=3.062632e+06
assign (segid "   A" and resid   32 and name  HD2) (segid "   A" and resid   31 and name   HA) 2.396 0.718 0.718 weight 1.000 ! spec=Noesy, no=655, id=654, vol=6.426240e+06
assign (segid "   A" and resid   32 and name  HD1) (segid "   A" and resid   31 and name   HA) 2.370 0.702 0.702 weight 1.000 ! spec=Noesy, no=656, id=655, vol=7.338847e+06
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   31 and name   HA) 3.301 1.362 1.362 weight 1.000 ! spec=Noesy, no=657, id=656, vol=2.059084e+06
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   30 and name   HA) 6.025 4.538 4.538 weight 1.000 ! spec=Noesy, no=658, id=657, vol=8.141300e+04
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   37 and name   HA) 3.695 3.695 2.305 weight 1.000 ! spec=Noesy, no=659, id=658, vol=4.612140e+05
assign (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   17 and name   HA) 3.772 1.779 1.779 weight 1.000 ! spec=Noesy, no=660, id=659, vol=4.877000e+05
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   38 and name   HA) 3.680 1.692 1.692 weight 1.000 ! spec=Noesy, no=661, id=660, vol=5.037190e+05
assign (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    7 and name   HA) 2.659 0.883 0.883 weight 1.000 ! spec=Noesy, no=662, id=661, vol=3.531322e+06
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   31 and name   HA) 3.766 1.773 1.773 weight 1.000 ! spec=Noesy, no=663, id=662, vol=3.858070e+05
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   31 and name   HA) 2.932 1.075 1.075 weight 1.000 ! spec=Noesy, no=664, id=663, vol=1.856692e+06
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   15 and name   HA) 3.746 3.746 2.254 weight 1.000 ! spec=Noesy, no=665, id=664, vol=4.108160e+05
assign (segid "   A" and resid   19 and name  HD1) (segid "   A" and resid   36 and name   HA) 3.457 1.494 1.494 weight 1.000 ! spec=Noesy, no=666, id=665, vol=7.599020e+05
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   17 and name   HA) 3.673 1.687 1.687 weight 1.000 ! spec=Noesy, no=667, id=666, vol=4.558990e+05
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   15 and name   HA) 3.381 1.429 1.429 weight 1.000 ! spec=Noesy, no=668, id=667, vol=7.604010e+05
assign (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   36 and name   HA) 2.649 0.877 0.877 weight 1.000 ! spec=Noesy, no=669, id=668, vol=3.800932e+06
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   36 and name   HA) 3.004 1.128 1.128 weight 1.000 ! spec=Noesy, no=670, id=669, vol=2.555044e+06
assign (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name   HA) 3.010 1.132 1.132 weight 1.000 ! spec=Noesy, no=671, id=670, vol=2.774504e+06
assign (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   15 and name   HA) 2.557 0.817 0.817 weight 1.000 ! spec=Noesy, no=672, id=671, vol=4.487177e+06
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   39 and name   HA) 2.862 1.024 1.024 weight 1.000 ! spec=Noesy, no=674, id=673, vol=2.745068e+06
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid    7 and name   HA) 5.211 3.395 3.395 weight 1.000 ! spec=Noesy, no=675, id=674, vol=1.285760e+05
assign (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid   36 and name   HA) 2.960 1.096 1.096 weight 1.000 ! spec=Noesy, no=676, id=675, vol=1.888167e+06
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name   HA) 2.940 1.081 1.081 weight 1.000 ! spec=Noesy, no=677, id=676, vol=2.039652e+06
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   28 and name   HA) 4.105 2.107 2.107 weight 1.000 ! spec=Noesy, no=678, id=677, vol=2.512750e+05
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid    9 and name   HA) 4.427 2.450 2.450 weight 1.000 ! spec=Noesy, no=679, id=678, vol=1.719150e+05
assign (segid "   A" and resid   29 and name  HA2) (segid "   A" and resid   29 and name  HA1) 2.105 0.554 0.554 weight 1.000 ! spec=Noesy, no=680, id=679, vol=1.392140e+07
assign (segid "   A" and resid   32 and name  HD1) (segid "   A" and resid   32 and name  HD2) 2.025 0.513 0.513 weight 1.000 ! spec=Noesy, no=681, id=680, vol=1.758985e+07
assign (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    4 and name  HB2) 1.679 0.352 0.352 weight 1.000 ! spec=Noesy, no=682, id=681, vol=4.069752e+07
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   32 and name  HD1) 3.943 1.943 1.943 weight 1.000 ! spec=Noesy, no=683, id=682, vol=6.810540e+05
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   32 and name  HD2) 3.432 1.472 1.472 weight 1.000 ! spec=Noesy, no=684, id=683, vol=1.618067e+06
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   29 and name  HA1) 4.507 2.540 2.540 weight 1.000 ! spec=Noesy, no=685, id=684, vol=1.771310e+05
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   32 and name  HD2) 3.982 1.982 1.982 weight 1.000 ! spec=Noesy, no=687, id=686, vol=3.646480e+05
assign (segid "   A" and resid   14 and name  HA1) (segid "   A" and resid   14 and name  HA2) 2.585 0.835 0.835 weight 1.000 ! spec=Noesy, no=689, id=688, vol=9.131628e+06
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   42 and name   HA) 3.554 1.579 1.579 weight 1.000 ! spec=Noesy, no=691, id=690, vol=5.941880e+05
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   32 and name  HD2) 4.123 2.125 2.125 weight 1.000 ! spec=Noesy, no=692, id=691, vol=3.654200e+05
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   17 and name   HA) 3.557 1.582 1.582 weight 1.000 ! spec=Noesy, no=693, id=692, vol=7.074540e+05
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid    8 and name   HB) 4.915 3.019 3.019 weight 1.000 ! spec=Noesy, no=694, id=693, vol=1.939570e+05
assign (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    6 and name   HA) 3.174 1.259 1.259 weight 1.000 ! spec=Noesy, no=695, id=694, vol=1.868362e+06
assign (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   41 and name   HA) 4.144 2.146 2.146 weight 1.000 ! spec=Noesy, no=696, id=695, vol=3.447480e+05
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid    8 and name   HB) 4.490 2.520 2.520 weight 1.000 ! spec=Noesy, no=697, id=696, vol=2.192100e+05
assign (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    5 and name   HA) 3.090 1.193 1.193 weight 1.000 ! spec=Noesy, no=698, id=697, vol=2.229568e+06
assign (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    5 and name   HA) 3.132 1.226 1.226 weight 1.000 ! spec=Noesy, no=699, id=698, vol=2.067750e+06
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name   HA) 2.755 0.949 0.949 weight 1.000 ! spec=Noesy, no=700, id=699, vol=3.061274e+06
assign (segid "   A" and resid    1 and name  HB2) (segid "   A" and resid    1 and name   HA) 3.791 1.796 1.796 weight 1.000 ! spec=Noesy, no=702, id=701, vol=1.464891e+06
assign (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    3 and name   HA) 3.296 1.358 1.358 weight 1.000 ! spec=Noesy, no=703, id=702, vol=1.112289e+06
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid    8 and name   HA) 4.109 2.110 2.110 weight 1.000 ! spec=Noesy, no=704, id=703, vol=3.606080e+05
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid    9 and name   HA) 3.702 1.713 1.713 weight 1.000 ! spec=Noesy, no=705, id=704, vol=1.143758e+06
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   32 and name   HA) 3.692 1.704 1.704 weight 1.000 ! spec=Noesy, no=706, id=705, vol=5.927460e+05
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   32 and name  HD2) 4.140 2.142 2.142 weight 1.000 ! spec=Noesy, no=708, id=707, vol=2.756600e+05
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   29 and name  HA1) 4.457 2.483 2.483 weight 1.000 ! spec=Noesy, no=709, id=708, vol=2.447420e+05
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid   29 and name  HA1) 4.928 3.036 3.036 weight 1.000 ! spec=Noesy, no=710, id=709, vol=1.922770e+05
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   37 and name   HB) 4.110 2.111 2.111 weight 1.000 ! spec=Noesy, no=711, id=710, vol=3.037430e+05
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   32 and name  HD2) 3.316 1.374 1.374 weight 1.000 ! spec=Noesy, no=712, id=711, vol=8.601510e+05
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   32 and name  HD1) 3.672 1.686 1.686 weight 1.000 ! spec=Noesy, no=713, id=712, vol=4.805370e+05
assign (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    4 and name  HB2) 5.337 3.561 3.561 weight 1.000 ! spec=Noesy, no=714, id=713, vol=9.494400e+04
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   32 and name  HD1) 3.998 1.998 1.998 weight 1.000 ! spec=Noesy, no=715, id=714, vol=2.917080e+05
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid   29 and name  HA2) 4.447 2.472 2.472 weight 1.000 ! spec=Noesy, no=716, id=715, vol=2.010660e+05
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   31 and name  HB2) 3.509 1.539 1.539 weight 1.000 ! spec=Noesy, no=717, id=716, vol=7.474500e+05
assign (segid "   A" and resid   19 and name  HD1) (segid "   A" and resid   18 and name  HB1) 2.659 0.884 0.884 weight 1.000 ! spec=Noesy, no=718, id=717, vol=3.242043e+06
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name  HB1) 1.903 0.453 0.453 weight 1.000 ! spec=Noesy, no=719, id=718, vol=2.520626e+07
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   31 and name  HB2) 3.575 1.597 1.597 weight 1.000 ! spec=Noesy, no=720, id=719, vol=1.012047e+06
assign (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   31 and name  HB2) 3.247 1.318 1.318 weight 1.000 ! spec=Noesy, no=721, id=720, vol=1.343185e+06
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   31 and name  HB2) 2.920 1.066 1.066 weight 1.000 ! spec=Noesy, no=722, id=721, vol=2.127136e+06
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   31 and name  HB2) 2.080 0.541 0.541 weight 1.000 ! spec=Noesy, no=723, id=722, vol=1.440768e+07
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   38 and name  HB1) 2.248 0.632 0.632 weight 1.000 ! spec=Noesy, no=724, id=723, vol=1.431909e+07
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   18 and name  HB1) 2.168 0.587 0.587 weight 1.000 ! spec=Noesy, no=725, id=724, vol=1.341654e+07
assign (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid   18 and name  HB1) 2.875 1.033 1.033 weight 1.000 ! spec=Noesy, no=726, id=725, vol=2.240068e+06
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid   38 and name  HB1) 3.819 1.823 1.823 weight 1.000 ! spec=Noesy, no=727, id=726, vol=5.056370e+05
assign (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   15 and name  HB1) 1.914 0.458 0.458 weight 1.000 ! spec=Noesy, no=728, id=727, vol=2.656296e+07
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   19 and name  HD1) 3.311 1.370 1.370 weight 1.000 ! spec=Noesy, no=729, id=728, vol=8.923790e+05
assign (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    6 and name  HB2) 1.872 0.438 0.438 weight 1.000 ! spec=Noesy, no=730, id=729, vol=3.338312e+07
assign (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid   19 and name  HD1) 2.014 0.507 0.507 weight 1.000 ! spec=Noesy, no=731, id=730, vol=1.924226e+07
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   39 and name  HB2) 2.043 0.522 0.522 weight 1.000 ! spec=Noesy, no=732, id=731, vol=2.072582e+07
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name  HB1) 2.556 0.817 0.817 weight 1.000 ! spec=Noesy, no=733, id=732, vol=1.114119e+07
assign (segid "   A" and resid    1 and name  HB2) (segid "   A" and resid    6 and name  HB1) 1.494 0.279 0.279 weight 1.000 ! spec=Noesy, no=734, id=733, vol=1.082034e+08
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid    9 and name  HB1) 2.129 0.566 0.566 weight 1.000 ! spec=Noesy, no=735, id=734, vol=1.506772e+07
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid   38 and name  HB2) 3.718 1.728 1.728 weight 1.000 ! spec=Noesy, no=736, id=735, vol=6.498180e+05
assign (segid "   A" and resid   26 and name  HG2) (segid "   A" and resid   26 and name   HA) 3.208 1.287 1.287 weight 1.000 ! spec=Noesy, no=737, id=736, vol=1.227204e+06
assign (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   26 and name   HA) 3.197 1.277 1.277 weight 1.000 ! spec=Noesy, no=738, id=737, vol=1.396384e+06
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   36 and name   HA) 2.951 1.089 1.089 weight 1.000 ! spec=Noesy, no=739, id=738, vol=1.885973e+06
assign (segid "   A" and resid   27 and name  HG2) (segid "   A" and resid   27 and name   HA) 3.229 1.304 1.304 weight 1.000 ! spec=Noesy, no=740, id=739, vol=1.132520e+06
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name   HA) 2.815 0.991 0.991 weight 1.000 ! spec=Noesy, no=741, id=740, vol=2.495734e+06
assign (segid "   A" and resid   17 and name   HB) (segid "   A" and resid   17 and name   HA) 2.394 0.717 0.717 weight 1.000 ! spec=Noesy, no=742, id=741, vol=6.724666e+06
assign (segid "   A" and resid   10 and name  HG2) (segid "   A" and resid   11 and name   HA) 4.213 2.218 2.218 weight 1.000 ! spec=Noesy, no=747, id=746, vol=2.106380e+05
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   19 and name   HA) 3.967 1.967 1.967 weight 1.000 ! spec=Noesy, no=749, id=748, vol=3.257500e+05
assign (segid "   A" and resid   27 and name  HG2) (segid "   A" and resid   40 and name   HA) 3.853 1.856 1.856 weight 1.000 ! spec=Noesy, no=750, id=749, vol=4.064520e+05
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name   HA) 2.656 0.882 0.882 weight 1.000 ! spec=Noesy, no=751, id=750, vol=3.910217e+06
assign (segid "   A" and resid   10 and name  HG2) (segid "   A" and resid   10 and name   HA) 3.094 1.197 1.197 weight 1.000 ! spec=Noesy, no=752, id=751, vol=1.411036e+06
assign (segid "   A" and resid   10 and name  HG1) (segid "   A" and resid   10 and name   HA) 3.038 1.154 1.154 weight 1.000 ! spec=Noesy, no=753, id=752, vol=1.612030e+06
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   32 and name   HA) 2.533 0.802 0.802 weight 1.000 ! spec=Noesy, no=754, id=753, vol=4.694751e+06
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name   HA) 2.716 0.922 0.922 weight 1.000 ! spec=Noesy, no=755, id=754, vol=3.152310e+06
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name   HA) 2.696 0.909 0.909 weight 1.000 ! spec=Noesy, no=756, id=755, vol=3.368363e+06
assign (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   32 and name   HA) 3.035 1.152 1.152 weight 1.000 ! spec=Noesy, no=757, id=756, vol=1.573968e+06
assign (segid "   A" and resid   27 and name  HG1) (segid "   A" and resid   40 and name   HA) 3.468 1.503 1.503 weight 1.000 ! spec=Noesy, no=758, id=757, vol=7.537160e+05
assign (segid "   A" and resid   41 and name  HB2) (segid "   A" and resid   41 and name   HA) 2.751 0.946 0.946 weight 1.000 ! spec=Noesy, no=760, id=759, vol=2.989128e+06
assign (segid "   A" and resid   41 and name  HB1) (segid "   A" and resid   41 and name   HA) 2.683 0.900 0.900 weight 1.000 ! spec=Noesy, no=762, id=761, vol=3.382897e+06
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   19 and name   HA) 2.548 2.548 3.452 weight 1.000 ! spec=Noesy, no=765, id=764, vol=4.598102e+06
assign (segid "   A" and resid   40 and name  HB2) (segid "   A" and resid   40 and name   HA) 2.825 0.998 0.998 weight 1.000 ! spec=Noesy, no=766, id=765, vol=2.542421e+06
assign (segid "   A" and resid   40 and name  HB1) (segid "   A" and resid   40 and name   HA) 2.774 0.962 0.962 weight 1.000 ! spec=Noesy, no=767, id=766, vol=2.817946e+06
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid    8 and name   HA) 2.446 0.748 0.748 weight 1.000 ! spec=Noesy, no=768, id=767, vol=5.848907e+06
assign (segid "   A" and resid   12 and name  HG1) (segid "   A" and resid   12 and name   HA) 3.091 1.194 1.194 weight 1.000 ! spec=Noesy, no=770, id=769, vol=1.512368e+06
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   28 and name   HA) 2.441 0.745 0.745 weight 1.000 ! spec=Noesy, no=771, id=770, vol=6.107515e+06
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name   HA) 2.595 0.842 0.842 weight 1.000 ! spec=Noesy, no=774, id=773, vol=4.093568e+06
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   27 and name   HA) 3.871 1.873 1.873 weight 1.000 ! spec=Noesy, no=775, id=774, vol=3.565800e+05
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   23 and name   HA) 3.308 1.368 1.368 weight 1.000 ! spec=Noesy, no=777, id=776, vol=9.164830e+05
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   23 and name   HA) 3.880 1.882 1.882 weight 1.000 ! spec=Noesy, no=778, id=777, vol=3.970630e+05
assign (segid "   A" and resid    8 and name HG23) (segid "   A" and resid    8 and name   HB) 1.981 0.491 0.491 weight 1.000 ! spec=Noesy, no=781, id=780, vol=1.819761e+07
    or (segid "   A" and resid    8 and name HG21) (segid "   A" and resid    8 and name   HB)
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid    8 and name   HB)
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   38 and name   HA) 3.343 1.397 1.397 weight 1.000 ! spec=Noesy, no=782, id=781, vol=8.980930e+05
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   38 and name   HA)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   38 and name   HA)
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   26 and name   HA) 2.971 1.103 1.103 weight 1.000 ! spec=Noesy, no=783, id=782, vol=1.741807e+06
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   26 and name   HA)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   26 and name   HA)
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   37 and name   HA) 2.269 0.644 0.644 weight 1.000 ! spec=Noesy, no=784, id=783, vol=8.341347e+06
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   37 and name   HA)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   37 and name   HA)
assign (segid "   A" and resid    2 and name HG22) (segid "   A" and resid    2 and name   HA) 3.079 1.185 1.185 weight 1.000 ! spec=Noesy, no=785, id=784, vol=1.309627e+06
    or (segid "   A" and resid    2 and name HG23) (segid "   A" and resid    2 and name   HA)
    or (segid "   A" and resid    2 and name HG21) (segid "   A" and resid    2 and name   HA)
assign (segid "   A" and resid    8 and name HG23) (segid "   A" and resid    8 and name   HA) 2.156 0.581 0.581 weight 1.000 ! spec=Noesy, no=786, id=785, vol=1.094291e+07
    or (segid "   A" and resid    8 and name HG21) (segid "   A" and resid    8 and name   HA)
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid    8 and name   HA)
assign (segid "   A" and resid   12 and name  HG2) (segid "   A" and resid   12 and name   HA) 2.919 1.065 1.065 weight 1.000 ! spec=Noesy, no=788, id=787, vol=2.202202e+06
assign (segid "   A" and resid   17 and name HG23) (segid "   A" and resid   17 and name   HA) 2.139 0.572 0.572 weight 1.000 ! spec=Noesy, no=790, id=789, vol=1.230680e+07
    or (segid "   A" and resid   17 and name HG21) (segid "   A" and resid   17 and name   HA)
    or (segid "   A" and resid   17 and name HG22) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid   42 and name HG23) (segid "   A" and resid   23 and name   HA) 3.175 1.260 1.260 weight 1.000 ! spec=Noesy, no=791, id=790, vol=1.199674e+06
    or (segid "   A" and resid   42 and name HG21) (segid "   A" and resid   23 and name   HA)
    or (segid "   A" and resid   42 and name HG22) (segid "   A" and resid   23 and name   HA)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   23 and name   HA) 3.282 1.347 1.347 weight 1.000 ! spec=Noesy, no=792, id=791, vol=1.002204e+06
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   23 and name   HA)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   23 and name   HA)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   17 and name   HA) 3.561 1.585 1.585 weight 1.000 ! spec=Noesy, no=793, id=792, vol=5.899510e+05
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   17 and name   HA)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid   21 and name HD11) (segid "   A" and resid   17 and name   HA) 3.626 1.644 1.644 weight 1.000 ! spec=Noesy, no=794, id=793, vol=5.120310e+05
    or (segid "   A" and resid   21 and name HD13) (segid "   A" and resid   17 and name   HA)
    or (segid "   A" and resid   21 and name HD12) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid   33 and name   HG) (segid "   A" and resid   33 and name   HA) 2.882 1.038 1.038 weight 1.000 ! spec=Noesy, no=795, id=794, vol=2.228052e+06
assign (segid "   A" and resid   42 and name HD13) (segid "   A" and resid   41 and name   HA) 4.368 2.385 2.385 weight 1.000 ! spec=Noesy, no=798, id=797, vol=2.531980e+05
    or (segid "   A" and resid   42 and name HD12) (segid "   A" and resid   41 and name   HA)
    or (segid "   A" and resid   42 and name HD11) (segid "   A" and resid   41 and name   HA)
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   33 and name   HA) 2.740 0.939 0.939 weight 1.000 ! spec=Noesy, no=799, id=798, vol=3.477299e+06
assign (segid "   A" and resid   33 and name HD12) (segid "   A" and resid   33 and name   HA) 2.131 0.568 0.568 weight 1.000 ! spec=Noesy, no=800, id=799, vol=1.246791e+07
    or (segid "   A" and resid   33 and name HD11) (segid "   A" and resid   33 and name   HA)
    or (segid "   A" and resid   33 and name HD13) (segid "   A" and resid   33 and name   HA)
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name   HA) 3.161 1.249 1.249 weight 1.000 ! spec=Noesy, no=801, id=800, vol=1.274913e+06
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name   HA) 2.443 0.746 0.746 weight 1.000 ! spec=Noesy, no=803, id=802, vol=5.602839e+06
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name   HA) 2.570 0.826 0.826 weight 1.000 ! spec=Noesy, no=804, id=803, vol=4.856694e+06
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name   HA) 3.115 1.213 1.213 weight 1.000 ! spec=Noesy, no=805, id=804, vol=1.395242e+06
assign (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name   HA) 2.976 1.107 1.107 weight 1.000 ! spec=Noesy, no=806, id=805, vol=1.854095e+06
assign (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   35 and name   HA) 2.591 0.839 0.839 weight 1.000 ! spec=Noesy, no=807, id=806, vol=4.296064e+06
assign (segid "   A" and resid   35 and name  HB1) (segid "   A" and resid   35 and name   HA) 2.892 1.045 1.045 weight 1.000 ! spec=Noesy, no=810, id=809, vol=2.202190e+06
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   32 and name  HD2) 3.427 1.468 1.468 weight 1.000 ! spec=Noesy, no=811, id=810, vol=7.370380e+05
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   32 and name  HD1) 3.143 1.235 1.235 weight 1.000 ! spec=Noesy, no=812, id=811, vol=1.270789e+06
assign (segid "   A" and resid   17 and name   HB) (segid "   A" and resid   37 and name   HB) 3.915 1.916 1.916 weight 1.000 ! spec=Noesy, no=813, id=812, vol=3.676150e+05
assign (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   32 and name  HD2) 2.718 0.923 0.923 weight 1.000 ! spec=Noesy, no=814, id=813, vol=3.123283e+06
assign (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   32 and name  HD1) 2.631 0.865 0.865 weight 1.000 ! spec=Noesy, no=815, id=814, vol=3.888664e+06
assign (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   32 and name  HD1) 3.037 1.153 1.153 weight 1.000 ! spec=Noesy, no=816, id=815, vol=1.786119e+06
assign (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   32 and name  HD2) 2.776 0.963 0.963 weight 1.000 ! spec=Noesy, no=817, id=816, vol=2.597848e+06
assign (segid "   A" and resid   42 and name   HB) (segid "   A" and resid   42 and name   HA) 2.657 0.882 0.882 weight 1.000 ! spec=Noesy, no=819, id=818, vol=3.641884e+06
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid    9 and name   HA) 3.583 1.605 1.605 weight 1.000 ! spec=Noesy, no=820, id=819, vol=7.573110e+05
assign (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   34 and name   HA) 2.888 1.043 1.043 weight 1.000 ! spec=Noesy, no=823, id=822, vol=2.230746e+06
assign (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name   HA) 2.774 0.962 0.962 weight 1.000 ! spec=Noesy, no=824, id=823, vol=2.743240e+06
assign (segid "   A" and resid   12 and name  HG2) (segid "   A" and resid    9 and name   HA) 3.993 1.993 1.993 weight 1.000 ! spec=Noesy, no=828, id=827, vol=2.875710e+05
assign (segid "   A" and resid   21 and name HG11) (segid "   A" and resid   21 and name   HA) 3.083 1.188 1.188 weight 1.000 ! spec=Noesy, no=830, id=829, vol=1.448035e+06
assign (segid "   A" and resid   21 and name HG12) (segid "   A" and resid   21 and name   HA) 3.051 1.163 1.163 weight 1.000 ! spec=Noesy, no=831, id=830, vol=1.509328e+06
assign (segid "   A" and resid    3 and name HG21) (segid "   A" and resid    3 and name   HB) 2.104 0.553 0.553 weight 1.000 ! spec=Noesy, no=832, id=831, vol=6.166182e+06
    or (segid "   A" and resid    3 and name HG22) (segid "   A" and resid    3 and name   HB)
    or (segid "   A" and resid    3 and name HG23) (segid "   A" and resid    3 and name   HB)
assign (segid "   A" and resid   28 and name HD13) (segid "   A" and resid   28 and name   HA) 2.899 1.050 1.050 weight 1.000 ! spec=Noesy, no=833, id=832, vol=1.966513e+06
    or (segid "   A" and resid   28 and name HD12) (segid "   A" and resid   28 and name   HA)
    or (segid "   A" and resid   28 and name HD11) (segid "   A" and resid   28 and name   HA)
assign (segid "   A" and resid   24 and name HD11) (segid "   A" and resid   24 and name   HA) 2.782 0.967 0.967 weight 1.000 ! spec=Noesy, no=835, id=834, vol=2.493639e+06
    or (segid "   A" and resid   24 and name HD12) (segid "   A" and resid   24 and name   HA)
    or (segid "   A" and resid   24 and name HD13) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   24 and name HD21) (segid "   A" and resid   24 and name   HA) 2.211 0.611 0.611 weight 1.000 ! spec=Noesy, no=837, id=836, vol=9.641174e+06
    or (segid "   A" and resid   24 and name HD23) (segid "   A" and resid   24 and name   HA)
    or (segid "   A" and resid   24 and name HD22) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   22 and name   HA) 3.448 1.486 1.486 weight 1.000 ! spec=Noesy, no=838, id=837, vol=7.061930e+05
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   33 and name HD12) (segid "   A" and resid   32 and name   HA) 4.063 2.063 2.063 weight 1.000 ! spec=Noesy, no=839, id=838, vol=2.496990e+05
    or (segid "   A" and resid   33 and name HD11) (segid "   A" and resid   32 and name   HA)
    or (segid "   A" and resid   33 and name HD13) (segid "   A" and resid   32 and name   HA)
assign (segid "   A" and resid   33 and name HD22) (segid "   A" and resid   33 and name   HA) 3.204 1.283 1.283 weight 1.000 ! spec=Noesy, no=840, id=839, vol=1.106186e+06
    or (segid "   A" and resid   33 and name HD21) (segid "   A" and resid   33 and name   HA)
    or (segid "   A" and resid   33 and name HD23) (segid "   A" and resid   33 and name   HA)
assign (segid "   A" and resid   33 and name HD22) (segid "   A" and resid   32 and name   HA) 4.605 2.650 2.650 weight 1.000 ! spec=Noesy, no=841, id=840, vol=1.155400e+05
    or (segid "   A" and resid   33 and name HD21) (segid "   A" and resid   32 and name   HA)
    or (segid "   A" and resid   33 and name HD23) (segid "   A" and resid   32 and name   HA)
assign (segid "   A" and resid   42 and name HG11) (segid "   A" and resid   42 and name   HA) 3.612 1.630 1.630 weight 1.000 ! spec=Noesy, no=842, id=841, vol=6.038000e+05
assign (segid "   A" and resid   24 and name HD11) (segid "   A" and resid   42 and name   HA) 3.567 1.590 1.590 weight 1.000 ! spec=Noesy, no=843, id=842, vol=5.468860e+05
    or (segid "   A" and resid   24 and name HD12) (segid "   A" and resid   42 and name   HA)
    or (segid "   A" and resid   24 and name HD13) (segid "   A" and resid   42 and name   HA)
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   34 and name   HA) 3.390 1.436 1.436 weight 1.000 ! spec=Noesy, no=844, id=843, vol=7.766000e+05
assign (segid "   A" and resid   42 and name HG23) (segid "   A" and resid   42 and name   HA) 2.570 0.826 0.826 weight 1.000 ! spec=Noesy, no=845, id=844, vol=4.058763e+06
    or (segid "   A" and resid   42 and name HG21) (segid "   A" and resid   42 and name   HA)
    or (segid "   A" and resid   42 and name HG22) (segid "   A" and resid   42 and name   HA)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   21 and name   HA) 2.280 0.650 0.650 weight 1.000 ! spec=Noesy, no=846, id=845, vol=8.370428e+06
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   21 and name   HA)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   21 and name   HA)
assign (segid "   A" and resid   21 and name HD11) (segid "   A" and resid   21 and name   HA) 2.380 0.708 0.708 weight 1.000 ! spec=Noesy, no=847, id=846, vol=6.455881e+06
    or (segid "   A" and resid   21 and name HD13) (segid "   A" and resid   21 and name   HA)
    or (segid "   A" and resid   21 and name HD12) (segid "   A" and resid   21 and name   HA)
assign (segid "   A" and resid   17 and name HG11) (segid "   A" and resid   37 and name   HB) 2.358 0.695 0.695 weight 1.000 ! spec=Noesy, no=848, id=847, vol=6.811755e+06
    or (segid "   A" and resid   17 and name HG13) (segid "   A" and resid   37 and name   HB)
    or (segid "   A" and resid   17 and name HG12) (segid "   A" and resid   37 and name   HB)
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   37 and name   HB) 2.086 0.544 0.544 weight 1.000 ! spec=Noesy, no=849, id=848, vol=1.333736e+07
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   37 and name   HB)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   37 and name   HB)
assign (segid "   A" and resid    8 and name HG23) (segid "   A" and resid   32 and name  HD1) 3.931 1.932 1.932 weight 1.000 ! spec=Noesy, no=853, id=852, vol=3.255060e+05
    or (segid "   A" and resid    8 and name HG21) (segid "   A" and resid   32 and name  HD1)
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid   32 and name  HD1)
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name  HB1) 2.438 0.743 0.743 weight 1.000 ! spec=Noesy, no=855, id=854, vol=5.840145e+06
assign (segid "   A" and resid   26 and name  HG2) (segid "   A" and resid   23 and name  HB2) 4.035 2.035 2.035 weight 1.000 ! spec=Noesy, no=857, id=856, vol=3.131880e+05
assign (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   23 and name  HB2) 3.913 1.914 1.914 weight 1.000 ! spec=Noesy, no=858, id=857, vol=3.805730e+05
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   19 and name  HD1) 2.487 0.773 0.773 weight 1.000 ! spec=Noesy, no=859, id=858, vol=5.177985e+06
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   36 and name  HB1) 3.998 1.998 1.998 weight 1.000 ! spec=Noesy, no=861, id=860, vol=2.813110e+05
assign (segid "   A" and resid   27 and name  HG1) (segid "   A" and resid   14 and name  HA1) 4.087 2.087 2.087 weight 1.000 ! spec=Noesy, no=862, id=861, vol=2.793940e+05
assign (segid "   A" and resid   12 and name  HG1) (segid "   A" and resid    7 and name  HB2) 3.616 1.634 1.634 weight 1.000 ! spec=Noesy, no=869, id=866, vol=5.813550e+05
assign (segid "   A" and resid   12 and name  HG2) (segid "   A" and resid    7 and name  HB2) 3.618 1.637 1.637 weight 1.000 ! spec=Noesy, no=872, id=869, vol=5.828540e+05
assign (segid "   A" and resid    8 and name HG23) (segid "   A" and resid    7 and name  HB2) 3.555 1.580 1.580 weight 1.000 ! spec=Noesy, no=873, id=870, vol=5.894110e+05
    or (segid "   A" and resid    8 and name HG21) (segid "   A" and resid    7 and name  HB2)
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid    7 and name  HB2)
assign (segid "   A" and resid    8 and name HG23) (segid "   A" and resid    7 and name  HB1) 3.672 1.685 1.685 weight 1.000 ! spec=Noesy, no=874, id=871, vol=4.648020e+05
    or (segid "   A" and resid    8 and name HG21) (segid "   A" and resid    7 and name  HB1)
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid    7 and name  HB1)
assign (segid "   A" and resid   12 and name  HG2) (segid "   A" and resid    7 and name  HB1) 3.781 1.787 1.787 weight 1.000 ! spec=Noesy, no=875, id=872, vol=4.800870e+05
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   23 and name  HB2) 2.603 2.603 3.397 weight 1.000 ! spec=Noesy, no=876, id=873, vol=3.773692e+06
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   23 and name  HB2)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   23 and name  HB2)
assign (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    5 and name  HB2) 1.705 0.364 0.364 weight 1.000 ! spec=Noesy, no=878, id=875, vol=4.889057e+07
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   19 and name  HD2) 2.357 0.694 0.694 weight 1.000 ! spec=Noesy, no=879, id=876, vol=7.158417e+06
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name  HB2) 2.699 0.910 0.910 weight 1.000 ! spec=Noesy, no=880, id=877, vol=3.128863e+06
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name  HE1) 3.773 1.779 1.779 weight 1.000 ! spec=Noesy, no=881, id=878, vol=4.905910e+05
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name  HE2) 3.852 1.854 1.854 weight 1.000 ! spec=Noesy, no=882, id=879, vol=4.116140e+05
assign (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   19 and name  HD2) 4.476 2.504 2.504 weight 1.000 ! spec=Noesy, no=883, id=880, vol=1.673220e+05
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   12 and name  HE2) 4.284 2.294 2.294 weight 1.000 ! spec=Noesy, no=888, id=885, vol=2.127730e+05
assign (segid "   A" and resid   12 and name  HG1) (segid "   A" and resid   12 and name  HE1) 3.309 1.368 1.368 weight 1.000 ! spec=Noesy, no=892, id=889, vol=9.942470e+05
assign (segid "   A" and resid   12 and name  HG1) (segid "   A" and resid   12 and name  HE2) 3.671 1.685 1.685 weight 1.000 ! spec=Noesy, no=893, id=890, vol=5.238110e+05
assign (segid "   A" and resid   12 and name  HG2) (segid "   A" and resid   12 and name  HE1) 3.980 1.980 1.980 weight 1.000 ! spec=Noesy, no=897, id=894, vol=3.181880e+05
assign (segid "   A" and resid   12 and name  HG2) (segid "   A" and resid   12 and name  HE2) 3.833 1.837 1.837 weight 1.000 ! spec=Noesy, no=898, id=895, vol=3.846480e+05
assign (segid "   A" and resid    8 and name HG23) (segid "   A" and resid   11 and name  HB2) 3.726 1.736 1.736 weight 1.000 ! spec=Noesy, no=899, id=896, vol=4.280990e+05
    or (segid "   A" and resid    8 and name HG21) (segid "   A" and resid   11 and name  HB2)
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid   11 and name  HB2)
assign (segid "   A" and resid    8 and name HG23) (segid "   A" and resid    9 and name  HB1) 3.833 1.836 1.836 weight 1.000 ! spec=Noesy, no=901, id=898, vol=3.821950e+05
    or (segid "   A" and resid    8 and name HG21) (segid "   A" and resid    9 and name  HB1)
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid    9 and name  HB1)
assign (segid "   A" and resid   21 and name HG11) (segid "   A" and resid   18 and name  HB2) 3.651 1.666 1.666 weight 1.000 ! spec=Noesy, no=902, id=899, vol=5.378270e+05
assign (segid "   A" and resid   21 and name HG12) (segid "   A" and resid   18 and name  HB2) 3.642 1.658 1.658 weight 1.000 ! spec=Noesy, no=903, id=900, vol=5.607510e+05
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   39 and name  HB1) 2.710 0.918 0.918 weight 1.000 ! spec=Noesy, no=904, id=901, vol=2.993640e+06
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   39 and name  HB1)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   39 and name  HB1)
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   38 and name  HB2) 3.809 1.814 1.814 weight 1.000 ! spec=Noesy, no=905, id=902, vol=3.833550e+05
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   38 and name  HB2)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   38 and name  HB2)
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   38 and name  HB1) 3.606 1.625 1.625 weight 1.000 ! spec=Noesy, no=906, id=903, vol=5.404380e+05
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   38 and name  HB1)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   38 and name  HB1)
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   31 and name  HB2) 4.062 2.062 2.062 weight 1.000 ! spec=Noesy, no=907, id=904, vol=2.329090e+05
assign (segid "   A" and resid   21 and name HD11) (segid "   A" and resid   18 and name  HB1) 3.909 1.910 1.910 weight 1.000 ! spec=Noesy, no=910, id=907, vol=3.224620e+05
    or (segid "   A" and resid   21 and name HD13) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   21 and name HD12) (segid "   A" and resid   18 and name  HB1)
assign (segid "   A" and resid   17 and name HG23) (segid "   A" and resid   39 and name  HB2) 2.287 0.654 0.654 weight 1.000 ! spec=Noesy, no=913, id=910, vol=8.536552e+06
    or (segid "   A" and resid   17 and name HG21) (segid "   A" and resid   39 and name  HB2)
    or (segid "   A" and resid   17 and name HG22) (segid "   A" and resid   39 and name  HB2)
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   36 and name  HB2) 3.967 1.968 1.968 weight 1.000 ! spec=Noesy, no=916, id=913, vol=3.279040e+05
assign (segid "   A" and resid   42 and name HG23) (segid "   A" and resid   15 and name  HB2) 3.354 3.354 2.646 weight 1.000 ! spec=Noesy, no=919, id=916, vol=8.372270e+05
    or (segid "   A" and resid   42 and name HG21) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   42 and name HG22) (segid "   A" and resid   15 and name  HB2)
assign (segid "   A" and resid   42 and name HD13) (segid "   A" and resid   15 and name  HB2) 3.376 1.424 1.424 weight 1.000 ! spec=Noesy, no=920, id=917, vol=7.910580e+05
    or (segid "   A" and resid   42 and name HD12) (segid "   A" and resid   15 and name  HB2)
    or (segid "   A" and resid   42 and name HD11) (segid "   A" and resid   15 and name  HB2)
assign (segid "   A" and resid   21 and name HD11) (segid "   A" and resid   18 and name  HB2) 3.335 1.391 1.391 weight 1.000 ! spec=Noesy, no=921, id=918, vol=8.452760e+05
    or (segid "   A" and resid   21 and name HD13) (segid "   A" and resid   18 and name  HB2)
    or (segid "   A" and resid   21 and name HD12) (segid "   A" and resid   18 and name  HB2)
assign (segid "   A" and resid   42 and name HG23) (segid "   A" and resid   23 and name  HB1) 3.502 1.533 1.533 weight 1.000 ! spec=Noesy, no=923, id=920, vol=6.394570e+05
    or (segid "   A" and resid   42 and name HG21) (segid "   A" and resid   23 and name  HB1)
    or (segid "   A" and resid   42 and name HG22) (segid "   A" and resid   23 and name  HB1)
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   26 and name  HG2) 2.998 1.124 1.124 weight 1.000 ! spec=Noesy, no=925, id=922, vol=1.584647e+06
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   26 and name  HG2)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   26 and name  HG2)
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   26 and name  HG1) 2.651 0.878 0.878 weight 1.000 ! spec=Noesy, no=926, id=923, vol=3.376952e+06
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   26 and name  HG1)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   26 and name  HG1)
assign (segid "   A" and resid    8 and name HG23) (segid "   A" and resid   10 and name  HG2) 3.852 1.854 1.854 weight 1.000 ! spec=Noesy, no=927, id=924, vol=3.493930e+05
    or (segid "   A" and resid    8 and name HG21) (segid "   A" and resid   10 and name  HG2)
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid   10 and name  HG2)
assign (segid "   A" and resid   10 and name  HG1) (segid "   A" and resid   10 and name  HG2) 1.723 0.371 0.371 weight 1.000 ! spec=Noesy, no=928, id=925, vol=4.612436e+07
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name  HG1) 2.468 0.761 0.761 weight 1.000 ! spec=Noesy, no=929, id=926, vol=5.222405e+06
assign (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   35 and name  HB1) 1.994 0.497 0.497 weight 1.000 ! spec=Noesy, no=930, id=927, vol=2.042254e+07
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name  HG2) 2.676 0.895 0.895 weight 1.000 ! spec=Noesy, no=931, id=928, vol=3.162674e+06
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name  HG2) 2.760 0.952 0.952 weight 1.000 ! spec=Noesy, no=932, id=929, vol=2.838372e+06
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name  HG1) 2.910 1.058 1.058 weight 1.000 ! spec=Noesy, no=933, id=930, vol=1.831769e+06
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name  HB2) 1.980 0.490 0.490 weight 1.000 ! spec=Noesy, no=936, id=933, vol=2.179612e+07
assign (segid "   A" and resid   41 and name  HB1) (segid "   A" and resid   41 and name  HB2) 1.858 0.431 0.431 weight 1.000 ! spec=Noesy, no=937, id=934, vol=3.121168e+07
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   32 and name  HB2) 2.158 0.582 0.582 weight 1.000 ! spec=Noesy, no=939, id=936, vol=1.398486e+07
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   12 and name  HB2) 2.081 0.541 0.541 weight 1.000 ! spec=Noesy, no=944, id=941, vol=1.598360e+07
assign (segid "   A" and resid   40 and name  HB1) (segid "   A" and resid   25 and name  HB2) 3.087 1.191 1.191 weight 1.000 ! spec=Noesy, no=946, id=943, vol=1.391856e+06
assign (segid "   A" and resid   40 and name  HB1) (segid "   A" and resid   40 and name  HB2) 1.948 0.474 0.474 weight 1.000 ! spec=Noesy, no=950, id=947, vol=2.126938e+07
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name  HB2) 2.054 0.527 0.527 weight 1.000 ! spec=Noesy, no=952, id=949, vol=1.656062e+07
assign (segid "   A" and resid   12 and name  HG1) (segid "   A" and resid   12 and name  HB2) 2.750 0.945 0.945 weight 1.000 ! spec=Noesy, no=954, id=951, vol=2.983840e+06
assign (segid "   A" and resid   12 and name  HG2) (segid "   A" and resid   12 and name  HB2) 2.839 1.007 1.007 weight 1.000 ! spec=Noesy, no=955, id=952, vol=2.454946e+06
assign (segid "   A" and resid   21 and name HG11) (segid "   A" and resid   21 and name   HB) 2.672 0.893 0.893 weight 1.000 ! spec=Noesy, no=961, id=958, vol=3.475523e+06
assign (segid "   A" and resid   21 and name HG12) (segid "   A" and resid   21 and name   HB) 2.771 0.960 0.960 weight 1.000 ! spec=Noesy, no=962, id=959, vol=2.879668e+06
assign (segid "   A" and resid   21 and name HG11) (segid "   A" and resid   17 and name   HB) 3.057 1.168 1.168 weight 1.000 ! spec=Noesy, no=963, id=960, vol=1.531732e+06
assign (segid "   A" and resid   21 and name HG12) (segid "   A" and resid   17 and name   HB) 3.186 1.269 1.269 weight 1.000 ! spec=Noesy, no=964, id=961, vol=1.175654e+06
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   26 and name  HB2) 3.188 1.271 1.271 weight 1.000 ! spec=Noesy, no=965, id=962, vol=1.048356e+06
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   26 and name  HB2)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   26 and name  HB2)
assign (segid "   A" and resid   17 and name HG11) (segid "   A" and resid   18 and name   HA) 3.971 1.971 1.971 weight 1.000 ! spec=Noesy, no=967, id=964, vol=2.879170e+05
    or (segid "   A" and resid   17 and name HG13) (segid "   A" and resid   18 and name   HA)
    or (segid "   A" and resid   17 and name HG12) (segid "   A" and resid   18 and name   HA)
assign (segid "   A" and resid   33 and name   HG) (segid "   A" and resid   32 and name  HB2) 4.145 2.148 2.148 weight 1.000 ! spec=Noesy, no=968, id=965, vol=2.464070e+05
assign (segid "   A" and resid   33 and name   HG) (segid "   A" and resid   32 and name  HG1) 4.119 2.121 2.121 weight 1.000 ! spec=Noesy, no=969, id=966, vol=2.944240e+05
assign (segid "   A" and resid   24 and name HD21) (segid "   A" and resid   41 and name  HB2) 3.581 1.603 1.603 weight 1.000 ! spec=Noesy, no=971, id=968, vol=5.456610e+05
    or (segid "   A" and resid   24 and name HD23) (segid "   A" and resid   41 and name  HB2)
    or (segid "   A" and resid   24 and name HD22) (segid "   A" and resid   41 and name  HB2)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   17 and name   HB) 2.518 0.792 0.792 weight 1.000 ! spec=Noesy, no=972, id=969, vol=4.544591e+06
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   17 and name   HB)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   17 and name   HB)
assign (segid "   A" and resid   21 and name HD11) (segid "   A" and resid   17 and name   HB) 2.872 1.031 1.031 weight 1.000 ! spec=Noesy, no=973, id=970, vol=2.067594e+06
    or (segid "   A" and resid   21 and name HD13) (segid "   A" and resid   17 and name   HB)
    or (segid "   A" and resid   21 and name HD12) (segid "   A" and resid   17 and name   HB)
assign (segid "   A" and resid   33 and name HD12) (segid "   A" and resid   32 and name  HB2) 3.655 1.670 1.670 weight 1.000 ! spec=Noesy, no=974, id=971, vol=5.035070e+05
    or (segid "   A" and resid   33 and name HD11) (segid "   A" and resid   32 and name  HB2)
    or (segid "   A" and resid   33 and name HD13) (segid "   A" and resid   32 and name  HB2)
assign (segid "   A" and resid   33 and name HD12) (segid "   A" and resid   32 and name  HG1) 3.892 1.894 1.894 weight 1.000 ! spec=Noesy, no=975, id=972, vol=3.206900e+05
    or (segid "   A" and resid   33 and name HD11) (segid "   A" and resid   32 and name  HG1)
    or (segid "   A" and resid   33 and name HD13) (segid "   A" and resid   32 and name  HG1)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   21 and name   HB) 2.043 0.522 0.522 weight 1.000 ! spec=Noesy, no=978, id=975, vol=1.474078e+07
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   21 and name   HB)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   21 and name   HB)
assign (segid "   A" and resid   33 and name   HG) (segid "   A" and resid   32 and name  HG2) 3.037 1.153 1.153 weight 1.000 ! spec=Noesy, no=980, id=977, vol=1.675866e+06
assign (segid "   A" and resid   42 and name HG23) (segid "   A" and resid   42 and name   HB) 2.442 0.745 0.745 weight 1.000 ! spec=Noesy, no=981, id=978, vol=5.115762e+06
    or (segid "   A" and resid   42 and name HG21) (segid "   A" and resid   42 and name   HB)
    or (segid "   A" and resid   42 and name HG22) (segid "   A" and resid   42 and name   HB)
assign (segid "   A" and resid   21 and name HD11) (segid "   A" and resid   21 and name   HB) 2.691 0.905 0.905 weight 1.000 ! spec=Noesy, no=983, id=980, vol=3.133744e+06
    or (segid "   A" and resid   21 and name HD13) (segid "   A" and resid   21 and name   HB)
    or (segid "   A" and resid   21 and name HD12) (segid "   A" and resid   21 and name   HB)
assign (segid "   A" and resid   21 and name HD11) (segid "   A" and resid   20 and name  HB2) 3.670 1.684 1.684 weight 1.000 ! spec=Noesy, no=984, id=981, vol=4.422100e+05
    or (segid "   A" and resid   21 and name HD13) (segid "   A" and resid   20 and name  HB2)
    or (segid "   A" and resid   21 and name HD12) (segid "   A" and resid   20 and name  HB2)
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HG1) 1.932 0.467 0.467 weight 1.000 ! spec=Noesy, no=985, id=982, vol=2.405818e+07
assign (segid "   A" and resid    8 and name HG23) (segid "   A" and resid   30 and name  HB2) 2.374 0.704 0.704 weight 1.000 ! spec=Noesy, no=989, id=986, vol=6.867970e+06
    or (segid "   A" and resid    8 and name HG21) (segid "   A" and resid   30 and name  HB2)
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid   30 and name  HB2)
assign (segid "   A" and resid   28 and name HD13) (segid "   A" and resid   28 and name  HB2) 2.722 0.926 0.926 weight 1.000 ! spec=Noesy, no=991, id=988, vol=2.843254e+06
    or (segid "   A" and resid   28 and name HD12) (segid "   A" and resid   28 and name  HB2)
    or (segid "   A" and resid   28 and name HD11) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid   24 and name HD21) (segid "   A" and resid   24 and name  HB2) 2.509 0.787 0.787 weight 1.000 ! spec=Noesy, no=992, id=989, vol=4.975183e+06
    or (segid "   A" and resid   24 and name HD23) (segid "   A" and resid   24 and name  HB2)
    or (segid "   A" and resid   24 and name HD22) (segid "   A" and resid   24 and name  HB2)
assign (segid "   A" and resid   21 and name HD11) (segid "   A" and resid   20 and name  HB1) 3.505 1.536 1.536 weight 1.000 ! spec=Noesy, no=993, id=990, vol=6.135410e+05
    or (segid "   A" and resid   21 and name HD13) (segid "   A" and resid   20 and name  HB1)
    or (segid "   A" and resid   21 and name HD12) (segid "   A" and resid   20 and name  HB1)
assign (segid "   A" and resid   42 and name HD13) (segid "   A" and resid   42 and name HG12) 2.043 0.522 0.522 weight 1.000 ! spec=Noesy, no=994, id=991, vol=1.544696e+07
    or (segid "   A" and resid   42 and name HD12) (segid "   A" and resid   42 and name HG12)
    or (segid "   A" and resid   42 and name HD11) (segid "   A" and resid   42 and name HG12)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   21 and name HG11) 2.522 0.795 0.795 weight 1.000 ! spec=Noesy, no=995, id=992, vol=4.428747e+06
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   21 and name HG11)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   21 and name HG11)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   21 and name HG12) 2.714 0.921 0.921 weight 1.000 ! spec=Noesy, no=996, id=993, vol=2.769807e+06
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   21 and name HG12)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   21 and name HG12)
assign (segid "   A" and resid   21 and name HD11) (segid "   A" and resid   21 and name HG11) 2.178 0.593 0.593 weight 1.000 ! spec=Noesy, no=997, id=994, vol=1.146119e+07
    or (segid "   A" and resid   21 and name HD13) (segid "   A" and resid   21 and name HG11)
    or (segid "   A" and resid   21 and name HD12) (segid "   A" and resid   21 and name HG11)
assign (segid "   A" and resid   21 and name HD11) (segid "   A" and resid   21 and name HG12) 2.106 0.554 0.554 weight 1.000 ! spec=Noesy, no=998, id=995, vol=1.343090e+07
    or (segid "   A" and resid   21 and name HD13) (segid "   A" and resid   21 and name HG12)
    or (segid "   A" and resid   21 and name HD12) (segid "   A" and resid   21 and name HG12)
assign (segid "   A" and resid   42 and name HD13) (segid "   A" and resid   42 and name HG11) 1.753 0.384 0.384 weight 1.000 ! spec=Noesy, no=999, id=996, vol=3.890304e+07
    or (segid "   A" and resid   42 and name HD12) (segid "   A" and resid   42 and name HG11)
    or (segid "   A" and resid   42 and name HD11) (segid "   A" and resid   42 and name HG11)
assign (segid "   A" and resid   33 and name HD12) (segid "   A" and resid   33 and name   HG) 2.143 0.574 0.574 weight 1.000 ! spec=Noesy, no=1000, id=997, vol=1.073921e+07
    or (segid "   A" and resid   33 and name HD11) (segid "   A" and resid   33 and name   HG)
    or (segid "   A" and resid   33 and name HD13) (segid "   A" and resid   33 and name   HG)
assign (segid "   A" and resid   33 and name HD12) (segid "   A" and resid   33 and name  HB2) 2.552 0.814 0.814 weight 1.000 ! spec=Noesy, no=1001, id=998, vol=3.843104e+06
    or (segid "   A" and resid   33 and name HD11) (segid "   A" and resid   33 and name  HB2)
    or (segid "   A" and resid   33 and name HD13) (segid "   A" and resid   33 and name  HB2)
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name   HG) 2.951 1.089 1.089 weight 1.000 ! spec=Noesy, no=1002, id=999, vol=1.914723e+06
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name  HB2) 2.246 0.631 0.631 weight 1.000 ! spec=Noesy, no=1003, id=1000, vol=9.964154e+06
assign (segid "   A" and resid   33 and name HD22) (segid "   A" and resid   33 and name   HG) 2.276 0.648 0.648 weight 1.000 ! spec=Noesy, no=1004, id=1001, vol=8.343666e+06
    or (segid "   A" and resid   33 and name HD21) (segid "   A" and resid   33 and name   HG)
    or (segid "   A" and resid   33 and name HD23) (segid "   A" and resid   33 and name   HG)
assign (segid "   A" and resid   33 and name HD22) (segid "   A" and resid   33 and name  HB2) 2.518 0.792 0.792 weight 1.000 ! spec=Noesy, no=1005, id=1002, vol=4.749334e+06
    or (segid "   A" and resid   33 and name HD21) (segid "   A" and resid   33 and name  HB2)
    or (segid "   A" and resid   33 and name HD23) (segid "   A" and resid   33 and name  HB2)
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name HD12) 3.416 1.458 1.458 weight 1.000 ! spec=Noesy, no=1006, id=1003, vol=7.437770e+05
    or (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name HD11)
    or (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name HD13)
assign (segid "   A" and resid   33 and name HD22) (segid "   A" and resid   33 and name HD12) 2.110 0.556 0.556 weight 1.000 ! spec=Noesy, no=1007, id=1004, vol=1.329940e+07
    or (segid "   A" and resid   33 and name HD22) (segid "   A" and resid   33 and name HD11)
    or (segid "   A" and resid   33 and name HD22) (segid "   A" and resid   33 and name HD13)
    or (segid "   A" and resid   33 and name HD21) (segid "   A" and resid   33 and name HD12)
    or (segid "   A" and resid   33 and name HD21) (segid "   A" and resid   33 and name HD11)
    or (segid "   A" and resid   33 and name HD21) (segid "   A" and resid   33 and name HD13)
    or (segid "   A" and resid   33 and name HD23) (segid "   A" and resid   33 and name HD12)
    or (segid "   A" and resid   33 and name HD23) (segid "   A" and resid   33 and name HD11)
    or (segid "   A" and resid   33 and name HD23) (segid "   A" and resid   33 and name HD13)
assign (segid "   A" and resid   33 and name HD22) (segid "   A" and resid   33 and name  HB1) 2.604 0.847 0.847 weight 1.000 ! spec=Noesy, no=1008, id=1005, vol=3.948488e+06
    or (segid "   A" and resid   33 and name HD21) (segid "   A" and resid   33 and name  HB1)
    or (segid "   A" and resid   33 and name HD23) (segid "   A" and resid   33 and name  HB1)
assign (segid "   A" and resid   33 and name HD22) (segid "   A" and resid   32 and name  HG1) 4.336 2.350 2.350 weight 1.000 ! spec=Noesy, no=1009, id=1006, vol=1.711670e+05
    or (segid "   A" and resid   33 and name HD21) (segid "   A" and resid   32 and name  HG1)
    or (segid "   A" and resid   33 and name HD23) (segid "   A" and resid   32 and name  HG1)
assign (segid "   A" and resid   33 and name HD22) (segid "   A" and resid   36 and name  HB2) 4.342 2.357 2.357 weight 1.000 ! spec=Noesy, no=1011, id=1008, vol=1.661550e+05
    or (segid "   A" and resid   33 and name HD21) (segid "   A" and resid   36 and name  HB2)
    or (segid "   A" and resid   33 and name HD23) (segid "   A" and resid   36 and name  HB2)
assign (segid "   A" and resid   33 and name HD22) (segid "   A" and resid   36 and name  HB1) 4.577 2.618 2.618 weight 1.000 ! spec=Noesy, no=1012, id=1009, vol=1.268490e+05
    or (segid "   A" and resid   33 and name HD21) (segid "   A" and resid   36 and name  HB1)
    or (segid "   A" and resid   33 and name HD23) (segid "   A" and resid   36 and name  HB1)
assign (segid "   A" and resid   33 and name HD22) (segid "   A" and resid   18 and name  HB1) 4.554 2.592 2.592 weight 1.000 ! spec=Noesy, no=1013, id=1010, vol=1.184550e+05
    or (segid "   A" and resid   33 and name HD21) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   33 and name HD23) (segid "   A" and resid   18 and name  HB1)
assign (segid "   A" and resid   33 and name HD22) (segid "   A" and resid   32 and name  HD2) 4.543 2.580 2.580 weight 1.000 ! spec=Noesy, no=1014, id=1011, vol=1.347730e+05
    or (segid "   A" and resid   33 and name HD21) (segid "   A" and resid   32 and name  HD2)
    or (segid "   A" and resid   33 and name HD23) (segid "   A" and resid   32 and name  HD2)
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   36 and name  HB1) 4.468 2.496 2.496 weight 1.000 ! spec=Noesy, no=1015, id=1012, vol=1.622730e+05
assign (segid "   A" and resid   10 and name  HG2) (segid "   A" and resid   15 and name   HA) 4.247 2.255 2.255 weight 1.000 ! spec=Noesy, no=1016, id=1013, vol=2.418710e+05
assign (segid "   A" and resid   10 and name  HG1) (segid "   A" and resid   15 and name   HA) 4.179 2.183 2.183 weight 1.000 ! spec=Noesy, no=1017, id=1014, vol=2.226840e+05
assign (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   39 and name   HA) 4.329 2.343 2.343 weight 1.000 ! spec=Noesy, no=1018, id=1015, vol=2.171360e+05
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   31 and name   HA) 4.408 2.429 2.429 weight 1.000 ! spec=Noesy, no=1019, id=1016, vol=1.827600e+05
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   39 and name   HA) 4.061 2.061 2.061 weight 1.000 ! spec=Noesy, no=1020, id=1017, vol=2.552180e+05
assign (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   31 and name   HA) 3.403 1.447 1.447 weight 1.000 ! spec=Noesy, no=1021, id=1018, vol=8.274260e+05
assign (segid "   A" and resid   40 and name  HB2) (segid "   A" and resid   39 and name   HA) 4.120 2.122 2.122 weight 1.000 ! spec=Noesy, no=1024, id=1021, vol=2.773500e+05
assign (segid "   A" and resid   40 and name  HB1) (segid "   A" and resid   39 and name   HA) 4.007 2.007 2.007 weight 1.000 ! spec=Noesy, no=1025, id=1022, vol=3.208790e+05
assign (segid "   A" and resid    8 and name HG23) (segid "   A" and resid    7 and name   HA) 3.115 1.213 1.213 weight 1.000 ! spec=Noesy, no=1027, id=1024, vol=1.210500e+06
    or (segid "   A" and resid    8 and name HG21) (segid "   A" and resid    7 and name   HA)
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid    7 and name   HA)
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   39 and name   HA) 3.162 1.250 1.250 weight 1.000 ! spec=Noesy, no=1028, id=1025, vol=1.135086e+06
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   39 and name   HA)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   39 and name   HA)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   31 and name  HB2) 4.465 2.492 2.492 weight 1.000 ! spec=Noesy, no=1030, id=1027, vol=1.516600e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   37 and name   HB) 4.381 2.400 2.400 weight 1.000 ! spec=Noesy, no=1031, id=1028, vol=1.708320e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name HE22) 4.176 2.179 2.179 weight 1.000 ! spec=Noesy, no=1032, id=1029, vol=2.146050e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   10 and name HE21) 4.345 2.360 2.360 weight 1.000 ! spec=Noesy, no=1033, id=1030, vol=1.752740e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name HE21) 4.482 2.511 2.511 weight 1.000 ! spec=Noesy, no=1034, id=1031, vol=1.245420e+05
assign (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   21 and name   HB) 4.065 2.065 2.065 weight 1.000 ! spec=Noesy, no=1035, id=1032, vol=2.758400e+05
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   37 and name   HN) 4.667 2.723 2.723 weight 1.000 ! spec=Noesy, no=1036, id=1033, vol=1.122540e+05
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   35 and name   HN) 4.685 2.744 2.744 weight 1.000 ! spec=Noesy, no=1037, id=1034, vol=1.015600e+05
assign (segid "   A" and resid   10 and name HE22) (segid "   A" and resid   16 and name  HB1) 4.563 2.603 2.603 weight 1.000 ! spec=Noesy, no=1038, id=1035, vol=9.498100e+04
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   31 and name   HA) 3.974 1.974 1.974 weight 1.000 ! spec=Noesy, no=1039, id=1036, vol=3.005830e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   31 and name   HA) 3.561 1.585 1.585 weight 1.000 ! spec=Noesy, no=1040, id=1037, vol=5.629390e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   32 and name  HD1) 4.440 2.464 2.464 weight 1.000 ! spec=Noesy, no=1041, id=1038, vol=1.382600e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    7 and name  HB2) 4.520 2.554 2.554 weight 1.000 ! spec=Noesy, no=1042, id=1039, vol=1.505290e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   12 and name  HB1) 4.510 2.543 2.543 weight 1.000 ! spec=Noesy, no=1044, id=1041, vol=1.509790e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   33 and name  HB2) 3.922 1.923 1.923 weight 1.000 ! spec=Noesy, no=1047, id=1043, vol=3.538560e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   37 and name   HA) 4.579 2.621 2.621 weight 1.000 ! spec=Noesy, no=1048, id=1044, vol=1.366440e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   29 and name   HN) 4.420 2.442 2.442 weight 1.000 ! spec=Noesy, no=1049, id=1045, vol=1.597710e+05
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   36 and name  HZ3) 4.815 2.898 2.898 weight 1.000 ! spec=Noesy, no=1050, id=1046, vol=7.936600e+04
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   17 and name   HN) 4.863 2.956 2.956 weight 1.000 ! spec=Noesy, no=1051, id=1047, vol=9.387100e+04
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   31 and name  HB2) 4.573 2.615 2.615 weight 1.000 ! spec=Noesy, no=1052, id=1048, vol=1.287850e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   42 and name   HA) 4.528 2.563 2.563 weight 1.000 ! spec=Noesy, no=1053, id=1049, vol=1.329190e+05
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   32 and name  HD1) 4.546 2.583 2.583 weight 1.000 ! spec=Noesy, no=1054, id=1050, vol=1.269580e+05
assign (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   13 and name  HA2) 4.669 2.725 2.725 weight 1.000 ! spec=Noesy, no=1055, id=1051, vol=1.021250e+05
assign (segid "   A" and resid   10 and name HE22) (segid "   A" and resid   10 and name   HA) 4.596 2.640 2.640 weight 1.000 ! spec=Noesy, no=1056, id=1052, vol=9.713800e+04
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   34 and name   HA) 4.373 2.391 2.391 weight 1.000 ! spec=Noesy, no=1058, id=1054, vol=1.692470e+05
assign (segid "   A" and resid   22 and name   HE) (segid "   A" and resid   22 and name   HA) 3.956 1.956 1.956 weight 1.000 ! spec=Noesy, no=1059, id=1055, vol=2.974360e+05
assign (segid "   A" and resid   10 and name HE21) (segid "   A" and resid   10 and name   HA) 4.490 2.520 2.520 weight 1.000 ! spec=Noesy, no=1060, id=1056, vol=1.193160e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name   HA) 4.228 2.235 2.235 weight 1.000 ! spec=Noesy, no=1061, id=1057, vol=1.899260e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name   HA) 3.597 1.618 1.618 weight 1.000 ! spec=Noesy, no=1062, id=1058, vol=5.869840e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   39 and name   HA) 4.581 2.623 2.623 weight 1.000 ! spec=Noesy, no=1063, id=1059, vol=1.238120e+05
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name   HB) 4.101 2.102 2.102 weight 1.000 ! spec=Noesy, no=1064, id=1060, vol=2.123520e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   29 and name  HA1) 4.586 2.629 2.629 weight 1.000 ! spec=Noesy, no=1065, id=1061, vol=1.323310e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   10 and name   HA) 4.557 2.596 2.596 weight 1.000 ! spec=Noesy, no=1066, id=1062, vol=1.348860e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name   HA) 4.535 2.571 2.571 weight 1.000 ! spec=Noesy, no=1067, id=1063, vol=1.384290e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   10 and name HE22) 4.655 2.709 2.709 weight 1.000 ! spec=Noesy, no=1068, id=1064, vol=1.109960e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name HE22) 4.705 2.767 2.767 weight 1.000 ! spec=Noesy, no=1069, id=1065, vol=1.025250e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HE) 4.758 2.829 2.829 weight 1.000 ! spec=Noesy, no=1070, id=1066, vol=9.527900e+04
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   19 and name   HA) 4.470 2.497 2.497 weight 1.000 ! spec=Noesy, no=1071, id=1067, vol=1.274350e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   27 and name HE22) 4.812 2.895 2.895 weight 1.000 ! spec=Noesy, no=1073, id=1069, vol=8.108700e+04
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   36 and name   HN) 4.633 2.683 2.683 weight 1.000 ! spec=Noesy, no=1074, id=1070, vol=1.164130e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   15 and name   HN) 4.826 2.911 2.911 weight 1.000 ! spec=Noesy, no=1075, id=1071, vol=9.346000e+04
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   37 and name   HN) 4.826 2.911 2.911 weight 1.000 ! spec=Noesy, no=1076, id=1072, vol=8.231500e+04
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   34 and name   HA) 4.769 2.843 2.843 weight 1.000 ! spec=Noesy, no=1077, id=1073, vol=8.463200e+04
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   35 and name   HA) 4.857 2.948 2.948 weight 1.000 ! spec=Noesy, no=1078, id=1074, vol=7.282100e+04
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   19 and name   HA) 4.740 2.809 2.809 weight 1.000 ! spec=Noesy, no=1079, id=1075, vol=9.193400e+04
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   35 and name  HB2) 4.583 2.625 2.625 weight 1.000 ! spec=Noesy, no=1080, id=1076, vol=1.063900e+05
assign (segid "   A" and resid   10 and name HE22) (segid "   A" and resid   15 and name  HB2) 4.859 2.951 2.951 weight 1.000 ! spec=Noesy, no=1081, id=1077, vol=7.022300e+04
assign (segid "   A" and resid   10 and name HE22) (segid "   A" and resid    9 and name  HB1) 4.924 3.031 3.031 weight 1.000 ! spec=Noesy, no=1082, id=1078, vol=7.890900e+04
assign (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   12 and name  HE2) 4.739 2.807 2.807 weight 1.000 ! spec=Noesy, no=1083, id=1079, vol=9.957200e+04
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   10 and name  HG2) 4.547 2.584 2.584 weight 1.000 ! spec=Noesy, no=1084, id=1080, vol=1.303890e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   10 and name  HG1) 4.618 2.666 2.666 weight 1.000 ! spec=Noesy, no=1085, id=1081, vol=1.198190e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   18 and name   HA) 4.472 2.500 2.500 weight 1.000 ! spec=Noesy, no=1086, id=1082, vol=1.327710e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   27 and name  HG2) 4.677 2.734 2.734 weight 1.000 ! spec=Noesy, no=1087, id=1083, vol=1.131660e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   30 and name  HB1) 4.373 2.390 2.390 weight 1.000 ! spec=Noesy, no=1089, id=1085, vol=1.766610e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name  HG2) 4.191 2.196 2.196 weight 1.000 ! spec=Noesy, no=1090, id=1086, vol=2.345810e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   40 and name  HB2) 4.356 2.372 2.372 weight 1.000 ! spec=Noesy, no=1092, id=1088, vol=1.653600e+05
assign (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   33 and name   HG) 4.550 2.588 2.588 weight 1.000 ! spec=Noesy, no=1094, id=1090, vol=1.384910e+05
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   33 and name   HG) 4.543 2.580 2.580 weight 1.000 ! spec=Noesy, no=1095, id=1091, vol=1.336450e+05
assign (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   21 and name HD11) 4.606 2.652 2.652 weight 1.000 ! spec=Noesy, no=1096, id=1092, vol=1.067540e+05
    or (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   21 and name HD13)
    or (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   21 and name HD12)
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   21 and name HD11) 4.620 2.668 2.668 weight 1.000 ! spec=Noesy, no=1097, id=1093, vol=1.028820e+05
    or (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   21 and name HD13)
    or (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   21 and name HD12)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid    7 and name  HB2) 4.428 2.450 2.450 weight 1.000 ! spec=Noesy, no=1098, id=1094, vol=1.542520e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name  HB2) 4.668 2.724 2.724 weight 1.000 ! spec=Noesy, no=1099, id=1095, vol=1.271480e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid    7 and name  HB2) 4.926 3.034 3.034 weight 1.000 ! spec=Noesy, no=1100, id=1096, vol=8.121900e+04
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   19 and name  HD1) 4.451 2.477 2.477 weight 1.000 ! spec=Noesy, no=1101, id=1097, vol=1.625230e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   38 and name  HB2) 4.452 2.478 2.478 weight 1.000 ! spec=Noesy, no=1103, id=1099, vol=1.628250e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   26 and name  HG1) 4.434 2.458 2.458 weight 1.000 ! spec=Noesy, no=1104, id=1100, vol=1.596730e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   26 and name  HG2) 4.470 2.498 2.498 weight 1.000 ! spec=Noesy, no=1105, id=1101, vol=1.485550e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   10 and name  HB1) 4.564 2.604 2.604 weight 1.000 ! spec=Noesy, no=1109, id=1105, vol=1.324050e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   26 and name  HB2) 4.526 2.560 2.560 weight 1.000 ! spec=Noesy, no=1110, id=1106, vol=1.479830e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   10 and name  HB2) 4.931 3.040 3.040 weight 1.000 ! spec=Noesy, no=1111, id=1107, vol=8.911800e+04
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   34 and name  HG1) 4.699 2.761 2.761 weight 1.000 ! spec=Noesy, no=1113, id=1109, vol=1.031380e+05
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    5 and name  HB2) 4.328 2.341 2.341 weight 1.000 ! spec=Noesy, no=1116, id=1111, vol=1.524750e+05
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    5 and name  HB2)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   18 and name   HA) 4.667 2.723 2.723 weight 1.000 ! spec=Noesy, no=1118, id=1113, vol=1.019390e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   17 and name   HB) 4.626 2.675 2.675 weight 1.000 ! spec=Noesy, no=1119, id=1114, vol=1.229350e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   27 and name  HG1) 4.659 2.713 2.713 weight 1.000 ! spec=Noesy, no=1120, id=1115, vol=1.174010e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   21 and name HG22) 4.531 2.566 2.566 weight 1.000 ! spec=Noesy, no=1121, id=1116, vol=1.343470e+05
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   21 and name HG23)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   14 and name   HN) 4.634 2.685 2.685 weight 1.000 ! spec=Noesy, no=1122, id=1117, vol=1.094460e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   42 and name HD13) 4.609 2.655 2.655 weight 1.000 ! spec=Noesy, no=1123, id=1118, vol=1.200360e+05
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   42 and name HD12)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   42 and name HD11)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   32 and name  HD2) 4.429 2.452 2.452 weight 1.000 ! spec=Noesy, no=1124, id=1119, vol=1.528020e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   14 and name  HA2) 4.688 2.747 2.747 weight 1.000 ! spec=Noesy, no=1125, id=1120, vol=1.055410e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   26 and name  HG1) 4.366 2.383 2.383 weight 1.000 ! spec=Noesy, no=1126, id=1121, vol=1.660280e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid    9 and name  HB1) 4.770 2.845 2.845 weight 1.000 ! spec=Noesy, no=1127, id=1122, vol=8.749500e+04
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   36 and name  HB2) 4.275 2.285 2.285 weight 1.000 ! spec=Noesy, no=1128, id=1123, vol=2.038310e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   36 and name  HB1) 4.643 2.694 2.694 weight 1.000 ! spec=Noesy, no=1129, id=1124, vol=1.218300e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid    9 and name  HB2) 4.657 2.711 2.711 weight 1.000 ! spec=Noesy, no=1130, id=1125, vol=1.207710e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid    8 and name   HA) 4.649 2.701 2.701 weight 1.000 ! spec=Noesy, no=1131, id=1126, vol=1.074810e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   33 and name   HN) 4.722 2.787 2.787 weight 1.000 ! spec=Noesy, no=1132, id=1127, vol=9.929700e+04
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   31 and name   HA) 4.339 2.354 2.354 weight 1.000 ! spec=Noesy, no=1133, id=1128, vol=1.522430e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   25 and name  HG2) 4.080 2.081 2.081 weight 1.000 ! spec=Noesy, no=1134, id=1129, vol=3.030850e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   42 and name HG23) 4.423 2.446 2.446 weight 1.000 ! spec=Noesy, no=1136, id=1131, vol=1.762300e+05
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   42 and name HG21)
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   42 and name HG22)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   16 and name  HB1) 4.699 2.760 2.760 weight 1.000 ! spec=Noesy, no=1137, id=1132, vol=1.055490e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   19 and name  HD1) 4.433 2.456 2.456 weight 1.000 ! spec=Noesy, no=1138, id=1133, vol=1.543620e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   26 and name  HG1) 4.524 2.558 2.558 weight 1.000 ! spec=Noesy, no=1139, id=1134, vol=2.075100e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   17 and name   HB) 4.140 2.142 2.142 weight 1.000 ! spec=Noesy, no=1141, id=1136, vol=2.296710e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   41 and name  HB2) 3.990 1.990 1.990 weight 1.000 ! spec=Noesy, no=1142, id=1137, vol=3.688200e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   42 and name HG23) 3.891 1.893 1.893 weight 1.000 ! spec=Noesy, no=1145, id=1140, vol=4.785900e+05
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   42 and name HG21)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   42 and name HG22)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   33 and name  HB1) 4.650 2.702 2.702 weight 1.000 ! spec=Noesy, no=1147, id=1142, vol=1.260010e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HD11) 3.416 1.458 1.458 weight 1.000 ! spec=Noesy, no=1148, id=1143, vol=9.358160e+05
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HD12)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HD13)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name   HA) 3.516 1.546 1.546 weight 1.000 ! spec=Noesy, no=1149, id=1144, vol=8.156020e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   39 and name   HA) 4.649 2.702 2.702 weight 1.000 ! spec=Noesy, no=1150, id=1145, vol=1.127680e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   37 and name HG23) 3.568 1.591 1.591 weight 1.000 ! spec=Noesy, no=1151, id=1146, vol=7.761400e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   37 and name HG22)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   24 and name   HA) 3.671 1.685 1.685 weight 1.000 ! spec=Noesy, no=1152, id=1147, vol=5.937400e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name   HA) 2.757 0.950 0.950 weight 1.000 ! spec=Noesy, no=1153, id=1148, vol=3.430361e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   33 and name   HA) 4.471 2.499 2.499 weight 1.000 ! spec=Noesy, no=1154, id=1149, vol=1.473660e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   36 and name   HA) 4.149 2.151 2.151 weight 1.000 ! spec=Noesy, no=1155, id=1150, vol=2.359760e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name   HE) 4.799 2.879 2.879 weight 1.000 ! spec=Noesy, no=1156, id=1151, vol=9.537400e+04
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   12 and name  HB1) 4.578 2.619 2.619 weight 1.000 ! spec=Noesy, no=1157, id=1152, vol=1.272090e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   32 and name  HG1) 4.894 2.994 2.994 weight 1.000 ! spec=Noesy, no=1159, id=1154, vol=1.045320e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   10 and name  HG1) 4.574 2.615 2.615 weight 1.000 ! spec=Noesy, no=1160, id=1155, vol=1.105660e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   38 and name  HB1) 4.566 2.606 2.606 weight 1.000 ! spec=Noesy, no=1161, id=1156, vol=1.130870e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   32 and name  HD1) 4.451 2.477 2.477 weight 1.000 ! spec=Noesy, no=1162, id=1157, vol=1.787990e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   32 and name  HD2) 4.782 2.859 2.859 weight 1.000 ! spec=Noesy, no=1163, id=1158, vol=7.146300e+04
assign (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   21 and name HG12) 4.368 2.385 2.385 weight 1.000 ! spec=Noesy, no=1164, id=1159, vol=1.517180e+05
assign (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   17 and name   HA) 4.432 2.456 2.456 weight 1.000 ! spec=Noesy, no=1168, id=1163, vol=1.480840e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   13 and name  HA2) 4.447 2.472 2.472 weight 1.000 ! spec=Noesy, no=1169, id=1164, vol=1.021190e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   38 and name  HB1) 4.532 2.567 2.567 weight 1.000 ! spec=Noesy, no=1170, id=1165, vol=1.363110e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name  HA1) 4.700 2.761 2.761 weight 1.000 ! spec=Noesy, no=1171, id=1166, vol=9.938100e+04
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   35 and name   HA) 4.642 2.693 2.693 weight 1.000 ! spec=Noesy, no=1172, id=1167, vol=8.709500e+04
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HG2) 3.306 1.366 1.366 weight 1.000 ! spec=Noesy, no=1174, id=1169, vol=1.122551e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   30 and name HD23) 3.599 1.619 1.619 weight 1.000 ! spec=Noesy, no=1175, id=1170, vol=5.743260e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   30 and name HD22)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   30 and name HD21)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   30 and name  HB1) 4.142 2.145 2.145 weight 1.000 ! spec=Noesy, no=1176, id=1171, vol=2.433700e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   17 and name   HB) 4.506 2.538 2.538 weight 1.000 ! spec=Noesy, no=1178, id=1173, vol=1.380000e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    5 and name  HB2) 4.753 2.823 2.823 weight 1.000 ! spec=Noesy, no=1179, id=1174, vol=1.098360e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    5 and name   HA) 4.417 2.439 2.439 weight 1.000 ! spec=Noesy, no=1180, id=1175, vol=1.802120e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid    6 and name  HB2) 4.612 2.659 2.659 weight 1.000 ! spec=Noesy, no=1181, id=1176, vol=1.383960e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name  HD1) 4.461 2.488 2.488 weight 1.000 ! spec=Noesy, no=1183, id=1177, vol=1.319130e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name  HD2)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   13 and name  HA2) 4.652 2.705 2.705 weight 1.000 ! spec=Noesy, no=1184, id=1178, vol=1.059010e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   13 and name   HN) 4.116 2.118 2.118 weight 1.000 ! spec=Noesy, no=1185, id=1179, vol=1.885670e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    3 and name HG21) 4.470 2.498 2.498 weight 1.000 ! spec=Noesy, no=1187, id=1181, vol=1.537420e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    3 and name HG22)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    3 and name HG23)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    8 and name HG23) 4.118 2.120 2.120 weight 1.000 ! spec=Noesy, no=1188, id=1182, vol=2.768320e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    8 and name HG21)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    8 and name HG22)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name  HB2) 4.471 2.499 2.499 weight 1.000 ! spec=Noesy, no=1189, id=1183, vol=1.487440e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid    9 and name  HB1) 4.702 2.764 2.764 weight 1.000 ! spec=Noesy, no=1190, id=1184, vol=1.205090e+05
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   15 and name  HD2) 4.470 2.497 2.497 weight 1.000 ! spec=Noesy, no=1192, id=1186, vol=1.594370e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name HD23) 3.230 1.304 1.304 weight 1.000 ! spec=Noesy, no=1193, id=1187, vol=1.113984e+06
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name HD22)
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name HD21)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   42 and name HG23) 4.449 2.475 2.475 weight 1.000 ! spec=Noesy, no=1194, id=1188, vol=1.811370e+05
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   42 and name HG21)
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   42 and name HG22)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   39 and name  HB2) 2.991 1.118 1.118 weight 1.000 ! spec=Noesy, no=1197, id=1191, vol=2.345540e+06
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   14 and name  HA1) 4.062 2.062 2.062 weight 1.000 ! spec=Noesy, no=1198, id=1192, vol=3.565680e+05
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   15 and name  HD2) 4.670 2.727 2.727 weight 1.000 ! spec=Noesy, no=1199, id=1193, vol=1.078970e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   33 and name HD12) 4.539 2.575 2.575 weight 1.000 ! spec=Noesy, no=1200, id=1194, vol=1.185200e+05
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   33 and name HD11)
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   33 and name HD13)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name  HG1) 4.303 2.314 2.314 weight 1.000 ! spec=Noesy, no=1201, id=1195, vol=2.323660e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   33 and name   HA) 4.317 2.330 2.330 weight 1.000 ! spec=Noesy, no=1202, id=1196, vol=1.688150e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   33 and name   HN) 4.186 2.190 2.190 weight 1.000 ! spec=Noesy, no=1203, id=1197, vol=2.156780e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   27 and name  HG1) 3.773 1.780 1.780 weight 1.000 ! spec=Noesy, no=1204, id=1198, vol=4.826410e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HG1) 4.194 2.199 2.199 weight 1.000 ! spec=Noesy, no=1205, id=1199, vol=2.232470e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   11 and name  HB1) 4.017 2.017 2.017 weight 1.000 ! spec=Noesy, no=1206, id=1200, vol=2.902750e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   27 and name HE22) 4.340 2.354 2.354 weight 1.000 ! spec=Noesy, no=1207, id=1201, vol=1.540260e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HD21) 4.061 2.061 2.061 weight 1.000 ! spec=Noesy, no=1208, id=1202, vol=2.968440e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HD23)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HD22)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HD11) 4.134 2.136 2.136 weight 1.000 ! spec=Noesy, no=1209, id=1203, vol=2.596480e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HD12)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HD13)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   19 and name  HD2) 4.627 2.676 2.676 weight 1.000 ! spec=Noesy, no=1211, id=1205, vol=1.205630e+05
assign (segid "   A" and resid   10 and name HE21) (segid "   A" and resid   15 and name  HB2) 4.622 2.671 2.671 weight 1.000 ! spec=Noesy, no=1212, id=1206, vol=1.148510e+05
assign (segid "   A" and resid   10 and name HE21) (segid "   A" and resid   15 and name  HB1) 4.437 2.461 2.461 weight 1.000 ! spec=Noesy, no=1213, id=1207, vol=1.696360e+05
assign (segid "   A" and resid   10 and name HE21) (segid "   A" and resid   10 and name  HB2) 3.969 1.969 1.969 weight 1.000 ! spec=Noesy, no=1214, id=1208, vol=2.767720e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   17 and name HG11) 3.902 1.903 1.903 weight 1.000 ! spec=Noesy, no=1215, id=1209, vol=3.515240e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   17 and name HG13)
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   17 and name HG12)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   36 and name   HA) 4.724 2.790 2.790 weight 1.000 ! spec=Noesy, no=1217, id=1211, vol=1.541450e+05
assign (segid "   A" and resid   36 and name  HZ2) (segid "   A" and resid   36 and name  HB2) 4.799 2.879 2.879 weight 1.000 ! spec=Noesy, no=1218, id=1212, vol=9.071900e+04
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   16 and name  HB1) 4.211 2.216 2.216 weight 1.000 ! spec=Noesy, no=1219, id=1213, vol=1.771860e+05
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   33 and name   HA) 3.577 1.599 1.599 weight 1.000 ! spec=Noesy, no=1220, id=1214, vol=4.171140e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB2) 2.658 0.883 0.883 weight 1.000 ! spec=Noesy, no=1222, id=1216, vol=4.129259e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   10 and name  HG1) 4.426 2.448 2.448 weight 1.000 ! spec=Noesy, no=1223, id=1217, vol=1.383200e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   29 and name  HA2) 4.779 2.855 2.855 weight 1.000 ! spec=Noesy, no=1224, id=1218, vol=1.012380e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   29 and name  HA1) 4.541 2.577 2.577 weight 1.000 ! spec=Noesy, no=1225, id=1219, vol=1.318710e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   27 and name HE22) 4.351 2.367 2.367 weight 1.000 ! spec=Noesy, no=1226, id=1220, vol=1.470880e+05
assign (segid "   A" and resid    6 and name  HE2) (segid "   A" and resid   30 and name  HB2) 4.123 2.125 2.125 weight 1.000 ! spec=Noesy, no=1227, id=1221, vol=2.957440e+05
    or (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid   30 and name  HB2)
assign (segid "   A" and resid    6 and name  HE2) (segid "   A" and resid    5 and name  HB1) 4.298 2.309 2.309 weight 1.000 ! spec=Noesy, no=1228, id=1222, vol=1.911600e+05
    or (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid    5 and name  HB1)
assign (segid "   A" and resid    6 and name   HZ) (segid "   A" and resid   30 and name HD11) 3.238 1.310 1.310 weight 1.000 ! spec=Noesy, no=1229, id=1223, vol=8.850840e+05
    or (segid "   A" and resid    6 and name   HZ) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid    6 and name   HZ) (segid "   A" and resid   30 and name HD12)
assign (segid "   A" and resid    6 and name   HZ) (segid "   A" and resid    3 and name HG21) 4.416 2.438 2.438 weight 1.000 ! spec=Noesy, no=1230, id=1224, vol=1.548140e+05
    or (segid "   A" and resid    6 and name   HZ) (segid "   A" and resid    3 and name HG22)
    or (segid "   A" and resid    6 and name   HZ) (segid "   A" and resid    3 and name HG23)
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid   12 and name  HG2) 4.000 2.000 2.000 weight 1.000 ! spec=Noesy, no=1231, id=1225, vol=2.134200e+05
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid   12 and name  HG1) 3.710 1.721 1.721 weight 1.000 ! spec=Noesy, no=1232, id=1226, vol=3.926100e+05
assign (segid "   A" and resid   35 and name   HE) (segid "   A" and resid   35 and name   HA) 4.406 2.427 2.427 weight 1.000 ! spec=Noesy, no=1233, id=1227, vol=1.678010e+05
assign (segid "   A" and resid    6 and name   HZ) (segid "   A" and resid   32 and name  HG1) 4.098 2.099 2.099 weight 1.000 ! spec=Noesy, no=1234, id=1228, vol=2.107610e+05
assign (segid "   A" and resid    6 and name   HZ) (segid "   A" and resid   32 and name  HB2) 4.401 2.421 2.421 weight 1.000 ! spec=Noesy, no=1235, id=1229, vol=1.273040e+05
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid   12 and name  HE2) 4.384 2.403 2.403 weight 1.000 ! spec=Noesy, no=1236, id=1230, vol=1.400280e+05
assign (segid "   A" and resid   35 and name   HE) (segid "   A" and resid   19 and name  HG1) 3.676 1.689 1.689 weight 1.000 ! spec=Noesy, no=1237, id=1231, vol=5.643330e+05
assign (segid "   A" and resid   35 and name   HE) (segid "   A" and resid   37 and name   HA) 4.362 2.378 2.378 weight 1.000 ! spec=Noesy, no=1238, id=1232, vol=2.119370e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   34 and name  HG1) 4.460 2.486 2.486 weight 1.000 ! spec=Noesy, no=1239, id=1233, vol=1.621730e+05
assign (segid "   A" and resid   36 and name  HH2) (segid "   A" and resid   16 and name  HB2) 3.829 1.833 1.833 weight 1.000 ! spec=Noesy, no=1240, id=1234, vol=4.329990e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   31 and name  HB1) 3.339 1.393 1.393 weight 1.000 ! spec=Noesy, no=1241, id=1235, vol=9.859020e+05
assign (segid "   A" and resid   27 and name HE21) (segid "   A" and resid   38 and name  HB2) 4.576 2.618 2.618 weight 1.000 ! spec=Noesy, no=1242, id=1236, vol=1.147320e+05
assign (segid "   A" and resid   27 and name HE21) (segid "   A" and resid   29 and name  HA1) 4.804 2.885 2.885 weight 1.000 ! spec=Noesy, no=1243, id=1237, vol=9.608000e+04
assign (segid "   A" and resid   27 and name HE21) (segid "   A" and resid    9 and name   HA) 4.464 2.491 2.491 weight 1.000 ! spec=Noesy, no=1244, id=1238, vol=1.592150e+05
assign (segid "   A" and resid   27 and name HE21) (segid "   A" and resid   12 and name   HA) 4.133 2.136 2.136 weight 1.000 ! spec=Noesy, no=1245, id=1239, vol=2.827960e+05
assign (segid "   A" and resid   27 and name HE21) (segid "   A" and resid   27 and name   HA) 4.352 2.367 2.367 weight 1.000 ! spec=Noesy, no=1246, id=1240, vol=1.631240e+05
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid   11 and name  HB2) 4.618 2.666 2.666 weight 1.000 ! spec=Noesy, no=1247, id=1241, vol=9.306000e+04
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid   11 and name  HB2)
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   42 and name HG12) 3.984 1.984 1.984 weight 1.000 ! spec=Noesy, no=1249, id=1243, vol=2.468970e+05
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   14 and name  HA1) 3.606 1.625 1.625 weight 1.000 ! spec=Noesy, no=1251, id=1245, vol=4.125980e+05
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   10 and name   HA) 4.284 2.294 2.294 weight 1.000 ! spec=Noesy, no=1252, id=1246, vol=1.462300e+05
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   15 and name   HA) 3.014 3.014 2.986 weight 1.000 ! spec=Noesy, no=1253, id=1247, vol=1.650879e+06
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   16 and name   HA) 4.352 2.367 2.367 weight 1.000 ! spec=Noesy, no=1254, id=1248, vol=1.252410e+05
assign (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   33 and name  HB1) 4.616 2.664 2.664 weight 1.000 ! spec=Noesy, no=1255, id=1249, vol=1.219450e+05
assign (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   19 and name  HD2) 4.550 2.588 2.588 weight 1.000 ! spec=Noesy, no=1256, id=1250, vol=1.307290e+05
assign (segid "   A" and resid   36 and name  HZ3) (segid "   A" and resid   32 and name  HD2) 4.503 2.535 2.535 weight 1.000 ! spec=Noesy, no=1257, id=1251, vol=1.459420e+05
assign (segid "   A" and resid   36 and name  HE3) (segid "   A" and resid   31 and name   HA) 4.583 2.625 2.625 weight 1.000 ! spec=Noesy, no=1258, id=1252, vol=1.359420e+05
assign (segid "   A" and resid   10 and name HE22) (segid "   A" and resid   10 and name  HB2) 4.273 2.282 2.282 weight 1.000 ! spec=Noesy, no=1259, id=1253, vol=1.913330e+05
assign (segid "   A" and resid   10 and name HE22) (segid "   A" and resid   31 and name   HA) 4.769 2.843 2.843 weight 1.000 ! spec=Noesy, no=1260, id=1254, vol=9.000400e+04
assign (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   28 and name HD23) 4.252 2.260 2.260 weight 1.000 ! spec=Noesy, no=1261, id=1255, vol=2.057870e+05
    or (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   28 and name HD22)
    or (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   28 and name HD21)
assign (segid "   A" and resid   27 and name HE22) (segid "   A" and resid   12 and name   HA) 3.719 1.729 1.729 weight 1.000 ! spec=Noesy, no=1262, id=1256, vol=4.508200e+05
assign (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   31 and name  HB2) 4.337 2.351 2.351 weight 1.000 ! spec=Noesy, no=1263, id=1257, vol=1.790090e+05
assign (segid "   A" and resid   27 and name  HG1) (segid "   A" and resid   38 and name  HB1) 4.457 2.483 2.483 weight 1.000 ! spec=Noesy, no=1265, id=1259, vol=1.554530e+05
assign (segid "   A" and resid   27 and name  HG2) (segid "   A" and resid   38 and name  HB1) 4.121 2.123 2.123 weight 1.000 ! spec=Noesy, no=1266, id=1260, vol=2.609980e+05
assign (segid "   A" and resid   17 and name   HB) (segid "   A" and resid   18 and name  HB1) 4.621 2.670 2.670 weight 1.000 ! spec=Noesy, no=1268, id=1262, vol=1.121890e+05
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   18 and name  HB1) 3.791 1.797 1.797 weight 1.000 ! spec=Noesy, no=1269, id=1263, vol=4.147310e+05
assign (segid "   A" and resid   28 and name HD13) (segid "   A" and resid   12 and name  HB2) 3.629 1.647 1.647 weight 1.000 ! spec=Noesy, no=1274, id=1268, vol=5.842490e+05
    or (segid "   A" and resid   28 and name HD12) (segid "   A" and resid   12 and name  HB2)
    or (segid "   A" and resid   28 and name HD11) (segid "   A" and resid   12 and name  HB2)
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   26 and name  HB1) 3.307 1.367 1.367 weight 1.000 ! spec=Noesy, no=1275, id=1269, vol=9.022650e+05
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   26 and name  HB1)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   26 and name  HB1)
assign (segid "   A" and resid   42 and name HG23) (segid "   A" and resid   41 and name  HB1) 3.702 1.713 1.713 weight 1.000 ! spec=Noesy, no=1276, id=1270, vol=4.750660e+05
    or (segid "   A" and resid   42 and name HG21) (segid "   A" and resid   41 and name  HB1)
    or (segid "   A" and resid   42 and name HG22) (segid "   A" and resid   41 and name  HB1)
assign (segid "   A" and resid    3 and name HG21) (segid "   A" and resid    2 and name   HB) 2.315 0.670 0.670 weight 1.000 ! spec=Noesy, no=1278, id=1272, vol=4.985809e+06
    or (segid "   A" and resid    3 and name HG22) (segid "   A" and resid    2 and name   HB)
    or (segid "   A" and resid    3 and name HG23) (segid "   A" and resid    2 and name   HB)
assign (segid "   A" and resid    2 and name HG22) (segid "   A" and resid    2 and name   HB) 2.502 0.782 0.782 weight 1.000 ! spec=Noesy, no=1279, id=1273, vol=3.849924e+06
    or (segid "   A" and resid    2 and name HG23) (segid "   A" and resid    2 and name   HB)
    or (segid "   A" and resid    2 and name HG21) (segid "   A" and resid    2 and name   HB)
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   32 and name   HA) 2.732 0.933 0.933 weight 1.000 ! spec=Noesy, no=1280, id=1274, vol=2.861040e+06
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   39 and name   HA) 2.737 0.936 0.936 weight 1.000 ! spec=Noesy, no=1281, id=1275, vol=2.958834e+06
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid   31 and name   HA) 3.070 1.178 1.178 weight 1.000 ! spec=Noesy, no=1282, id=1276, vol=1.503327e+06
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    7 and name   HA) 2.436 0.742 0.742 weight 1.000 ! spec=Noesy, no=1283, id=1277, vol=5.052127e+06
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   15 and name   HA) 2.414 0.728 0.728 weight 1.000 ! spec=Noesy, no=1284, id=1278, vol=5.612423e+06
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid   38 and name   HA) 3.657 1.671 1.671 weight 1.000 ! spec=Noesy, no=1285, id=1279, vol=4.525430e+05
assign (segid "   A" and resid   26 and name  HG2) (segid "   A" and resid   25 and name   HA) 3.132 1.226 1.226 weight 1.000 ! spec=Noesy, no=1287, id=1281, vol=1.204937e+06
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   37 and name   HA) 3.636 1.652 1.652 weight 1.000 ! spec=Noesy, no=1288, id=1282, vol=4.558550e+05
assign (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid   19 and name   HA) 2.466 0.760 0.760 weight 1.000 ! spec=Noesy, no=1289, id=1283, vol=4.543363e+06
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   28 and name   HA) 3.174 1.260 1.260 weight 1.000 ! spec=Noesy, no=1291, id=1285, vol=1.067232e+06
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid    8 and name   HA) 3.081 3.081 2.919 weight 1.000 ! spec=Noesy, no=1292, id=1286, vol=9.847790e+05
assign (segid "   A" and resid   12 and name  HE2) (segid "   A" and resid    8 and name   HA) 2.523 2.523 3.477 weight 1.000 ! spec=Noesy, no=1293, id=1287, vol=3.169611e+06
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   22 and name   HA) 3.187 1.269 1.269 weight 1.000 ! spec=Noesy, no=1294, id=1288, vol=1.179852e+06
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid    9 and name   HA) 3.686 1.698 1.698 weight 1.000 ! spec=Noesy, no=1295, id=1289, vol=4.629790e+05
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid    9 and name   HA) 2.664 0.887 0.887 weight 1.000 ! spec=Noesy, no=1296, id=1290, vol=3.266650e+06
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid   29 and name  HA1) 3.552 1.577 1.577 weight 1.000 ! spec=Noesy, no=1297, id=1291, vol=5.861520e+05
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   12 and name  HE1) 4.115 2.117 2.117 weight 1.000 ! spec=Noesy, no=1298, id=1292, vol=2.647350e+05
assign (segid "   A" and resid   12 and name  HG1) (segid "   A" and resid   11 and name  HB2) 4.261 2.269 2.269 weight 1.000 ! spec=Noesy, no=1301, id=1295, vol=2.045500e+05
assign (segid "   A" and resid   12 and name  HG2) (segid "   A" and resid   11 and name  HB2) 4.255 2.263 2.263 weight 1.000 ! spec=Noesy, no=1302, id=1296, vol=2.040160e+05
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   15 and name  HB1) 4.264 2.273 2.273 weight 1.000 ! spec=Noesy, no=1303, id=1297, vol=2.002530e+05
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   15 and name  HB1) 4.164 2.168 2.168 weight 1.000 ! spec=Noesy, no=1304, id=1298, vol=2.457880e+05
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1           H1       ASP   1  19.218  -6.203  -2.132
    2    H2   ASP   1           H2       ASP   1  18.083  -5.118  -2.758
    3    H3   ASP   1           H3       ASP   1  17.637  -6.198  -1.536
    4    HA   ASP   1           HA       ASP   1  19.608  -4.009  -1.269
    5    HB2  ASP   1           HB2      ASP   1  17.960  -2.926   0.170
    6    HB3  ASP   1           HB3      ASP   1  17.269  -3.206  -1.427
    7    H    THR   2           H        THR   2  20.534  -3.801   0.762
    8    HA   THR   2           HA       THR   2  20.411  -6.200   2.439
    9    HB   THR   2           HB       THR   2  22.380  -3.919   2.667
   10    HG1  THR   2           HG1      THR   2  23.646  -4.928   1.201
   11   HG21  THR   2          HG21      THR   2  22.497  -6.808   3.550
   12   HG22  THR   2          HG22      THR   2  22.256  -5.412   4.602
   13   HG23  THR   2          HG23      THR   2  23.785  -5.621   3.748
   14    H    THR   3           H        THR   3  19.429  -2.974   2.228
   15    HA   THR   3           HA       THR   3  18.135  -3.094   4.800
   16    HB   THR   3           HB       THR   3  20.301  -2.164   5.448
   17    HG1  THR   3           HG1      THR   3  19.485  -0.059   6.212
   18   HG21  THR   3          HG21      THR   3  19.751  -0.022   3.394
   19   HG22  THR   3          HG22      THR   3  21.009  -1.257   3.303
   20   HG23  THR   3          HG23      THR   3  21.080  -0.014   4.553
   21    H    SER   4           H        SER   4  16.477  -1.459   4.997
   22    HA   SER   4           HA       SER   4  15.248  -0.884   2.507
   23    HB2  SER   4           HB2      SER   4  14.483   0.237   5.209
   24    HB3  SER   4           HB3      SER   4  13.444   0.035   3.796
   25    HG   SER   4           HG       SER   4  14.233  -2.329   4.131
   26    H    ASP   5           H        ASP   5  16.490   0.495   1.302
   27    HA   ASP   5           HA       ASP   5  16.278   3.295   2.120
   28    HB2  ASP   5           HB2      ASP   5  18.610   2.548   2.630
   29    HB3  ASP   5           HB3      ASP   5  18.808   2.122   0.933
   30    H    PHE   6           H        PHE   6  14.698   3.670   0.676
   31    HA   PHE   6           HA       PHE   6  15.247   4.168  -2.023
   32    HB2  PHE   6           HB2      PHE   6  13.503   2.330  -2.814
   33    HB3  PHE   6           HB3      PHE   6  15.217   1.957  -2.697
   34    HD1  PHE   6           HD1      PHE   6  12.219   1.940  -0.447
   35    HD2  PHE   6           HD2      PHE   6  15.746  -0.052  -1.754
   36    HE1  PHE   6           HE1      PHE   6  11.718   0.059   1.062
   37    HE2  PHE   6           HE2      PHE   6  15.250  -1.930  -0.250
   38    HZ   PHE   6           HZ       PHE   6  13.232  -1.875   1.162
   39    H    HIS   7           H        HIS   7  12.816   4.159  -3.196
   40    HA   HIS   7           HA       HIS   7  11.322   5.944  -1.485
   41    HB2  HIS   7           HB2      HIS   7  10.829   5.018  -4.317
   42    HB3  HIS   7           HB3      HIS   7   9.797   6.156  -3.465
   43    HD1  HIS   7           HD1      HIS   7  12.454   6.140  -5.808
   44    HD2  HIS   7           HD2      HIS   7  11.518   8.457  -2.486
   45    HE1  HIS   7           HE1      HIS   7  13.728   8.286  -6.102
   46    HE2  HIS   7           HE2      HIS   7  13.298   9.586  -3.986
   47    H    THR   8           H        THR   8  10.307   4.907   0.086
   48    HA   THR   8           HA       THR   8   9.254   2.281  -0.271
   49    HB   THR   8           HB       THR   8   8.350   2.868   2.149
   50    HG1  THR   8           HG1      THR   8   9.516   4.508   3.116
   51   HG21  THR   8          HG21      THR   8  11.266   2.489   1.475
   52   HG22  THR   8          HG22      THR   8  10.066   1.216   1.696
   53   HG23  THR   8          HG23      THR   8  10.548   2.220   3.062
   54    H    CYS   9           H        CYS   9   6.987   2.139   1.145
   55    HA   CYS   9           HA       CYS   9   5.087   3.345  -0.698
   56    HB2  CYS   9           HB2      CYS   9   4.794   1.275   1.507
   57    HB3  CYS   9           HB3      CYS   9   3.457   1.849   0.506
   58    H    GLN  10           H        GLN  10   5.059   2.797   2.808
   59    HA   GLN  10           HA       GLN  10   3.529   5.187   3.230
   60    HB2  GLN  10           HB2      GLN  10   4.256   4.392   5.724
   61    HB3  GLN  10           HB3      GLN  10   2.870   3.763   4.850
   62    HG2  GLN  10           HG2      GLN  10   4.217   1.898   4.043
   63    HG3  GLN  10           HG3      GLN  10   5.590   2.521   4.936
   64   HE21  GLN  10          HE21      GLN  10   4.347  -0.029   5.124
   65   HE22  GLN  10          HE22      GLN  10   3.781  -0.203   6.744
   66    H    ASP  11           H        ASP  11   4.493   7.000   3.012
   67    HA   ASP  11           HA       ASP  11   6.462   8.253   4.321
   68    HB2  ASP  11           HB2      ASP  11   8.049   6.427   3.681
   69    HB3  ASP  11           HB3      ASP  11   7.757   6.800   1.983
   70    H    LYS  12           H        LYS  12   5.823   7.382   0.923
   71    HA   LYS  12           HA       LYS  12   5.689  10.216   0.211
   72    HB2  LYS  12           HB2      LYS  12   5.263   7.777  -1.522
   73    HB3  LYS  12           HB3      LYS  12   5.477   9.420  -2.092
   74    HG2  LYS  12           HG2      LYS  12   7.782   9.396  -1.252
   75    HG3  LYS  12           HG3      LYS  12   7.557   7.728  -0.716
   76    HD2  LYS  12           HD2      LYS  12   7.258   8.665  -3.567
   77    HD3  LYS  12           HD3      LYS  12   8.709   7.914  -2.906
   78    HE2  LYS  12           HE2      LYS  12   7.518   5.873  -2.464
   79    HE3  LYS  12           HE3      LYS  12   5.988   6.613  -2.926
   80    HZ1  LYS  12           HZ1      LYS  12   6.746   5.300  -4.731
   81    HZ2  LYS  12           HZ2      LYS  12   8.283   6.003  -4.696
   82    HZ3  LYS  12           HZ3      LYS  12   6.953   6.917  -5.177
   83    H    GLY  13           H        GLY  13   3.684   7.352   0.445
   84    HA2  GLY  13           HA2      GLY  13   1.301   9.047   0.082
   85    HA3  GLY  13           HA3      GLY  13   1.422   7.459  -0.650
   86    H    GLY  14           H        GLY  14   0.920   5.719   0.456
   87    HA2  GLY  14           HA2      GLY  14   0.207   6.064   3.279
   88    HA3  GLY  14           HA3      GLY  14  -0.865   5.245   2.159
   89    H    HIS  15           H        HIS  15  -0.667   3.504   3.734
   90    HA   HIS  15           HA       HIS  15   1.937   2.298   4.128
   91    HB2  HIS  15           HB2      HIS  15   0.944   1.124   5.916
   92    HB3  HIS  15           HB3      HIS  15   0.171   2.700   5.947
   93    HD1  HIS  15           HD1      HIS  15  -0.737  -0.587   6.509
   94    HD2  HIS  15           HD2      HIS  15  -2.325   2.372   4.049
   95    HE1  HIS  15           HE1      HIS  15  -3.121  -1.260   6.093
   96    HE2  HIS  15           HE2      HIS  15  -4.024   0.480   4.519
   97    H    CYS  16           H        CYS  16   2.046  -0.100   4.134
   98    HA   CYS  16           HA       CYS  16   1.404  -1.041   1.501
   99    HB2  CYS  16           HB2      CYS  16   2.721  -2.445   3.835
  100    HB3  CYS  16           HB3      CYS  16   2.687  -3.025   2.171
  101    H    VAL  17           H        VAL  17  -0.201  -2.370   0.923
  102    HA   VAL  17           HA       VAL  17  -1.740  -3.657   3.079
  103    HB   VAL  17           HB       VAL  17  -3.782  -3.340   1.868
  104   HG11  VAL  17          HG11      VAL  17  -3.988  -0.888   1.897
  105   HG12  VAL  17          HG12      VAL  17  -2.233  -0.765   2.030
  106   HG13  VAL  17          HG13      VAL  17  -3.164  -1.521   3.322
  107   HG21  VAL  17          HG21      VAL  17  -2.945  -3.549  -0.403
  108   HG22  VAL  17          HG22      VAL  17  -2.146  -1.982  -0.267
  109   HG23  VAL  17          HG23      VAL  17  -3.907  -2.081  -0.228
  110    H    SER  18           H        SER  18  -2.298  -5.690   2.821
  111    HA   SER  18           HA       SER  18  -0.997  -7.304   0.918
  112    HB2  SER  18           HB2      SER  18  -2.250  -9.108   1.935
  113    HB3  SER  18           HB3      SER  18  -1.703  -8.029   3.195
  114    HG   SER  18           HG       SER  18  -3.771  -7.130   3.278
  115    HA   PRO  19           HA       PRO  19  -3.416  -6.940  -2.670
  116    HB2  PRO  19           HB2      PRO  19  -3.613  -9.544  -3.529
  117    HB3  PRO  19           HB3      PRO  19  -2.194  -8.515  -3.733
  118    HG2  PRO  19           HG2      PRO  19  -2.757 -10.568  -1.631
  119    HG3  PRO  19           HG3      PRO  19  -1.256 -10.267  -2.530
  120    HD2  PRO  19           HD2      PRO  19  -1.549  -9.385  -0.031
  121    HD3  PRO  19           HD3      PRO  19  -0.721  -8.398  -1.254
  122    H    LYS  20           H        LYS  20  -5.066  -7.407  -0.178
  123    HA   LYS  20           HA       LYS  20  -7.545  -7.914  -1.608
  124    HB2  LYS  20           HB2      LYS  20  -6.683 -10.121  -0.600
  125    HB3  LYS  20           HB3      LYS  20  -7.065  -9.410   0.961
  126    HG2  LYS  20           HG2      LYS  20  -9.405  -9.043   0.054
  127    HG3  LYS  20           HG3      LYS  20  -8.941 -10.098  -1.277
  128    HD2  LYS  20           HD2      LYS  20 -10.066 -11.423   0.360
  129    HD3  LYS  20           HD3      LYS  20  -8.355 -11.841   0.413
  130    HE2  LYS  20           HE2      LYS  20  -9.291 -11.627   2.659
  131    HE3  LYS  20           HE3      LYS  20  -8.054 -10.408   2.364
  132    HZ1  LYS  20           HZ1      LYS  20 -10.992  -9.974   2.232
  133    HZ2  LYS  20           HZ2      LYS  20  -9.816  -8.800   1.916
  134    HZ3  LYS  20           HZ3      LYS  20  -9.962  -9.451   3.469
  135    H    ILE  21           H        ILE  21  -6.379  -5.563  -0.508
  136    HA   ILE  21           HA       ILE  21  -8.085  -5.055   1.848
  137    HB   ILE  21           HB       ILE  21  -5.484  -3.713   1.095
  138   HG12  ILE  21          HG12      ILE  21  -5.143  -5.998   1.899
  139   HG13  ILE  21          HG13      ILE  21  -4.569  -4.833   3.086
  140   HG21  ILE  21          HG21      ILE  21  -5.625  -2.625   3.290
  141   HG22  ILE  21          HG22      ILE  21  -7.219  -3.339   3.531
  142   HG23  ILE  21          HG23      ILE  21  -6.965  -2.166   2.239
  143   HD11  ILE  21          HD11      ILE  21  -6.626  -5.158   4.375
  144   HD12  ILE  21          HD12      ILE  21  -5.723  -6.657   4.168
  145   HD13  ILE  21          HD13      ILE  21  -7.164  -6.353   3.197
  146    H    ARG  22           H        ARG  22  -9.141  -3.058   2.001
  147    HA   ARG  22           HA       ARG  22 -10.184  -1.987  -0.398
  148    HB2  ARG  22           HB2      ARG  22 -11.454  -2.045   1.700
  149    HB3  ARG  22           HB3      ARG  22 -10.298  -0.946   2.441
  150    HG2  ARG  22           HG2      ARG  22 -10.921   0.685   0.589
  151    HG3  ARG  22           HG3      ARG  22 -12.293  -0.378   0.280
  152    HD2  ARG  22           HD2      ARG  22 -11.649   1.046   2.856
  153    HD3  ARG  22           HD3      ARG  22 -12.966   1.415   1.746
  154    HE   ARG  22           HE       ARG  22 -12.871  -1.218   3.035
  155   HH11  ARG  22          HH11      ARG  22 -14.410   1.903   2.646
  156   HH12  ARG  22          HH12      ARG  22 -15.852   1.440   3.491
  157   HH21  ARG  22          HH21      ARG  22 -14.773  -1.828   4.156
  158   HH22  ARG  22          HH22      ARG  22 -16.055  -0.676   4.351
  159    H    CYS  23           H        CYS  23  -8.815  -0.899  -1.727
  160    HA   CYS  23           HA       CYS  23  -6.969   1.055  -0.607
  161    HB2  CYS  23           HB2      CYS  23  -7.415   0.130  -3.447
  162    HB3  CYS  23           HB3      CYS  23  -6.170   1.255  -2.936
  163    H    LEU  24           H        LEU  24  -7.725   3.053  -0.231
  164    HA   LEU  24           HA       LEU  24  -9.898   4.193  -1.701
  165    HB2  LEU  24           HB2      LEU  24  -8.012   5.123   0.392
  166    HB3  LEU  24           HB3      LEU  24  -8.723   6.361  -0.623
  167    HG   LEU  24           HG       LEU  24  -9.974   6.054   1.466
  168   HD11  LEU  24          HD11      LEU  24 -11.134   6.814  -0.551
  169   HD12  LEU  24          HD12      LEU  24 -12.189   5.866   0.496
  170   HD13  LEU  24          HD13      LEU  24 -11.511   5.140  -0.960
  171   HD21  LEU  24          HD21      LEU  24 -10.495   3.268   0.437
  172   HD22  LEU  24          HD22      LEU  24 -11.269   4.009   1.837
  173   HD23  LEU  24          HD23      LEU  24  -9.534   3.694   1.852
  174    H    GLU  25           H        GLU  25  -6.391   4.591  -1.718
  175    HA   GLU  25           HA       GLU  25  -6.536   5.284  -4.541
  176    HB2  GLU  25           HB2      GLU  25  -6.571   7.459  -3.475
  177    HB3  GLU  25           HB3      GLU  25  -5.207   7.028  -2.462
  178    HG2  GLU  25           HG2      GLU  25  -3.788   6.882  -4.461
  179    HG3  GLU  25           HG3      GLU  25  -5.165   7.363  -5.451
  180    H    GLU  26           H        GLU  26  -5.217   3.867  -5.482
  181    HA   GLU  26           HA       GLU  26  -3.098   2.614  -3.962
  182    HB2  GLU  26           HB2      GLU  26  -3.876   2.247  -6.856
  183    HB3  GLU  26           HB3      GLU  26  -2.762   1.235  -5.950
  184    HG2  GLU  26           HG2      GLU  26  -4.576   0.562  -4.463
  185    HG3  GLU  26           HG3      GLU  26  -5.694   1.572  -5.380
  186    H    GLN  27           H        GLN  27  -0.957   3.011  -4.128
  187    HA   GLN  27           HA       GLN  27  -0.049   4.754  -6.289
  188    HB2  GLN  27           HB2      GLN  27   1.266   6.111  -4.769
  189    HB3  GLN  27           HB3      GLN  27  -0.446   6.220  -4.376
  190    HG2  GLN  27           HG2      GLN  27   0.181   5.867  -2.277
  191    HG3  GLN  27           HG3      GLN  27   0.446   4.188  -2.753
  192   HE21  GLN  27          HE21      GLN  27   1.942   7.274  -2.189
  193   HE22  GLN  27          HE22      GLN  27   3.565   6.685  -2.065
  194    H    LEU  28           H        LEU  28   2.450   4.985  -6.068
  195    HA   LEU  28           HA       LEU  28   3.393   2.250  -6.172
  196    HB2  LEU  28           HB2      LEU  28   4.926   2.945  -7.834
  197    HB3  LEU  28           HB3      LEU  28   3.369   3.608  -8.256
  198    HG   LEU  28           HG       LEU  28   5.553   5.199  -6.904
  199   HD11  LEU  28          HD11      LEU  28   6.310   4.441  -9.082
  200   HD12  LEU  28          HD12      LEU  28   5.984   6.175  -9.095
  201   HD13  LEU  28          HD13      LEU  28   4.831   5.056  -9.822
  202   HD21  LEU  28          HD21      LEU  28   2.948   5.970  -8.205
  203   HD22  LEU  28          HD22      LEU  28   4.230   7.121  -7.832
  204   HD23  LEU  28          HD23      LEU  28   3.444   6.232  -6.530
  205    H    GLY  29           H        GLY  29   4.983   1.553  -4.926
  206    HA2  GLY  29           HA2      GLY  29   7.126   3.179  -3.996
  207    HA3  GLY  29           HA3      GLY  29   5.970   2.862  -2.707
  208    H    LEU  30           H        LEU  30   8.005   1.759  -1.835
  209    HA   LEU  30           HA       LEU  30   8.172  -0.957  -2.931
  210    HB2  LEU  30           HB2      LEU  30  10.184   0.753  -1.560
  211    HB3  LEU  30           HB3      LEU  30  10.311  -0.986  -1.413
  212    HG   LEU  30           HG       LEU  30  10.110  -0.904  -4.038
  213   HD11  LEU  30          HD11      LEU  30  11.057   1.847  -3.306
  214   HD12  LEU  30          HD12      LEU  30   9.673   1.402  -4.305
  215   HD13  LEU  30          HD13      LEU  30  11.313   1.113  -4.892
  216   HD21  LEU  30          HD21      LEU  30  12.007  -1.796  -2.816
  217   HD22  LEU  30          HD22      LEU  30  12.624  -0.165  -2.554
  218   HD23  LEU  30          HD23      LEU  30  12.545  -0.826  -4.188
  219    H    CYS  31           H        CYS  31   7.114  -2.410  -1.895
  220    HA   CYS  31           HA       CYS  31   7.077  -2.362   1.055
  221    HB2  CYS  31           HB2      CYS  31   5.065  -3.630  -0.821
  222    HB3  CYS  31           HB3      CYS  31   5.018  -3.709   0.936
  223    HA   PRO  32           HA       PRO  32   9.250  -6.169   0.151
  224    HB2  PRO  32           HB2      PRO  32  10.382  -6.555   2.515
  225    HB3  PRO  32           HB3      PRO  32  10.805  -5.124   1.567
  226    HG2  PRO  32           HG2      PRO  32   9.034  -5.363   3.958
  227    HG3  PRO  32           HG3      PRO  32  10.123  -4.036   3.495
  228    HD2  PRO  32           HD2      PRO  32   7.321  -4.199   3.038
  229    HD3  PRO  32           HD3      PRO  32   8.431  -2.979   2.387
  230    H    LEU  33           H        LEU  33   7.575  -7.624  -0.206
  231    HA   LEU  33           HA       LEU  33   7.177  -9.647   1.705
  232    HB2  LEU  33           HB2      LEU  33   4.948  -7.655   1.390
  233    HB3  LEU  33           HB3      LEU  33   4.587  -9.335   1.716
  234    HG   LEU  33           HG       LEU  33   6.176  -7.478   3.487
  235   HD11  LEU  33          HD11      LEU  33   3.470  -8.736   3.857
  236   HD12  LEU  33          HD12      LEU  33   3.793  -7.032   3.540
  237   HD13  LEU  33          HD13      LEU  33   4.330  -7.767   5.051
  238   HD21  LEU  33          HD21      LEU  33   7.122  -9.633   3.707
  239   HD22  LEU  33          HD22      LEU  33   5.529 -10.395   3.745
  240   HD23  LEU  33          HD23      LEU  33   6.060  -9.387   5.095
  241    H    LYS  34           H        LYS  34   4.450  -8.769  -0.237
  242    HA   LYS  34           HA       LYS  34   5.298 -10.577  -2.383
  243    HB2  LYS  34           HB2      LYS  34   2.600 -10.588  -1.017
  244    HB3  LYS  34           HB3      LYS  34   3.089 -11.630  -2.349
  245    HG2  LYS  34           HG2      LYS  34   4.859 -12.569  -0.842
  246    HG3  LYS  34           HG3      LYS  34   4.116 -11.664   0.477
  247    HD2  LYS  34           HD2      LYS  34   1.994 -12.836   0.054
  248    HD3  LYS  34           HD3      LYS  34   2.778 -13.774  -1.213
  249    HE2  LYS  34           HE2      LYS  34   2.693 -15.096   0.786
  250    HE3  LYS  34           HE3      LYS  34   4.366 -14.637   0.481
  251    HZ1  LYS  34           HZ1      LYS  34   2.548 -13.295   2.408
  252    HZ2  LYS  34           HZ2      LYS  34   4.172 -12.909   2.141
  253    HZ3  LYS  34           HZ3      LYS  34   3.758 -14.402   2.814
  254    H    ARG  35           H        ARG  35   2.262 -10.228  -3.034
  255    HA   ARG  35           HA       ARG  35   2.510  -8.091  -4.885
  256    HB2  ARG  35           HB2      ARG  35   1.290 -10.089  -5.438
  257    HB3  ARG  35           HB3      ARG  35   0.238  -9.890  -4.051
  258    HG2  ARG  35           HG2      ARG  35  -0.815  -9.332  -6.203
  259    HG3  ARG  35           HG3      ARG  35  -0.820  -8.018  -5.029
  260    HD2  ARG  35           HD2      ARG  35   1.508  -7.978  -6.783
  261    HD3  ARG  35           HD3      ARG  35  -0.019  -7.821  -7.651
  262    HE   ARG  35           HE       ARG  35  -0.308  -6.070  -5.622
  263   HH11  ARG  35          HH11      ARG  35   2.265  -6.545  -7.938
  264   HH12  ARG  35          HH12      ARG  35   2.682  -4.863  -8.011
  265   HH21  ARG  35          HH21      ARG  35   0.217  -3.852  -5.723
  266   HH22  ARG  35          HH22      ARG  35   1.516  -3.328  -6.756
  267    H    TRP  36           H        TRP  36   2.901  -7.213  -2.240
  268    HA   TRP  36           HA       TRP  36   0.502  -6.045  -1.215
  269    HB2  TRP  36           HB2      TRP  36   3.397  -5.952  -0.455
  270    HB3  TRP  36           HB3      TRP  36   2.234  -4.862   0.302
  271    HD1  TRP  36           HD1      TRP  36   2.200  -8.690  -0.452
  272    HE1  TRP  36           HE1      TRP  36   1.351  -9.884   1.664
  273    HE3  TRP  36           HE3      TRP  36   1.500  -4.617   2.532
  274    HZ2  TRP  36           HZ2      TRP  36   0.478  -9.167   4.261
  275    HZ3  TRP  36           HZ3      TRP  36   0.636  -4.958   4.782
  276    HH2  TRP  36           HH2      TRP  36   0.147  -7.170   5.641
  277    H    THR  37           H        THR  37  -0.409  -4.295  -1.836
  278    HA   THR  37           HA       THR  37   0.908  -2.494  -3.695
  279    HB   THR  37           HB       THR  37  -1.936  -2.938  -2.824
  280    HG1  THR  37           HG1      THR  37  -2.173  -3.591  -4.919
  281   HG21  THR  37          HG21      THR  37  -0.922  -0.650  -4.510
  282   HG22  THR  37          HG22      THR  37  -1.787  -0.540  -2.972
  283   HG23  THR  37          HG23      THR  37  -2.612  -1.145  -4.413
  284    H    CYS  38           H        CYS  38   1.097  -0.239  -3.371
  285    HA   CYS  38           HA       CYS  38   1.231   0.544  -0.561
  286    HB2  CYS  38           HB2      CYS  38   1.957   2.177  -2.997
  287    HB3  CYS  38           HB3      CYS  38   2.539   2.378  -1.346
  288    H    CYS  39           H        CYS  39  -0.742   1.091   0.196
  289    HA   CYS  39           HA       CYS  39  -2.521   2.488  -1.642
  290    HB2  CYS  39           HB2      CYS  39  -2.936   0.553   0.562
  291    HB3  CYS  39           HB3      CYS  39  -4.220   1.693   0.191
  292    H    LYS  40           H        LYS  40  -2.893   4.491  -1.368
  293    HA   LYS  40           HA       LYS  40  -2.166   5.898   1.019
  294    HB2  LYS  40           HB2      LYS  40  -1.975   6.823  -1.303
  295    HB3  LYS  40           HB3      LYS  40  -3.725   6.877  -1.374
  296    HG2  LYS  40           HG2      LYS  40  -2.491   8.254   0.917
  297    HG3  LYS  40           HG3      LYS  40  -2.188   8.955  -0.674
  298    HD2  LYS  40           HD2      LYS  40  -4.641   8.947  -1.080
  299    HD3  LYS  40           HD3      LYS  40  -4.874   8.384   0.577
  300    HE2  LYS  40           HE2      LYS  40  -3.436  10.930  -0.148
  301    HE3  LYS  40           HE3      LYS  40  -5.151  10.854   0.250
  302    HZ1  LYS  40           HZ1      LYS  40  -4.630  10.070   2.428
  303    HZ2  LYS  40           HZ2      LYS  40  -3.716  11.469   2.143
  304    HZ3  LYS  40           HZ3      LYS  40  -2.981   9.951   2.059
  305    H    GLU  41           H        GLU  41  -3.370   4.937   2.581
  306    HA   GLU  41           HA       GLU  41  -4.998   4.898   4.120
  307    HB2  GLU  41           HB2      GLU  41  -6.531   6.678   2.232
  308    HB3  GLU  41           HB3      GLU  41  -7.023   6.250   3.861
  309    HG2  GLU  41           HG2      GLU  41  -5.039   7.331   4.763
  310    HG3  GLU  41           HG3      GLU  41  -4.530   7.755   3.129
  311    H    ILE  42           H        ILE  42  -6.837   3.740   4.646
  312    HA   ILE  42           HA       ILE  42  -8.070   2.186   2.487
  313    HB   ILE  42           HB       ILE  42  -7.981   0.143   3.784
  314   HG12  ILE  42          HG12      ILE  42  -7.934   1.290   6.044
  315   HG13  ILE  42          HG13      ILE  42  -6.886  -0.109   5.880
  316   HG21  ILE  42          HG21      ILE  42  -5.569  -0.321   3.664
  317   HG22  ILE  42          HG22      ILE  42  -5.266   1.406   3.468
  318   HG23  ILE  42          HG23      ILE  42  -6.175   0.525   2.240
  319   HD11  ILE  42          HD11      ILE  42  -5.983   2.755   5.698
  320   HD12  ILE  42          HD12      ILE  42  -4.954   1.326   5.660
  321   HD13  ILE  42          HD13      ILE  42  -5.848   1.729   7.123
  Start of MODEL    2
    1    H1   ASP   1           H1       ASP   1  16.764  -6.669  -4.082
    2    H2   ASP   1           H2       ASP   1  17.104  -6.929  -5.716
    3    H3   ASP   1           H3       ASP   1  15.891  -5.841  -5.268
    4    HA   ASP   1           HA       ASP   1  17.916  -4.714  -5.974
    5    HB2  ASP   1           HB2      ASP   1  17.189  -4.436  -3.049
    6    HB3  ASP   1           HB3      ASP   1  18.145  -3.266  -3.954
    7    H    THR   2           H        THR   2  20.046  -3.938  -5.103
    8    HA   THR   2           HA       THR   2  21.666  -6.203  -4.281
    9    HB   THR   2           HB       THR   2  22.545  -3.366  -4.862
   10    HG1  THR   2           HG1      THR   2  21.419  -4.478  -6.635
   11   HG21  THR   2          HG21      THR   2  24.210  -4.694  -3.662
   12   HG22  THR   2          HG22      THR   2  24.726  -4.406  -5.324
   13   HG23  THR   2          HG23      THR   2  24.070  -5.976  -4.865
   14    H    THR   3           H        THR   3  20.317  -3.315  -3.036
   15    HA   THR   3           HA       THR   3  20.795  -4.060  -0.330
   16    HB   THR   3           HB       THR   3  22.998  -3.033  -0.896
   17    HG1  THR   3           HG1      THR   3  22.512  -2.806   1.223
   18   HG21  THR   3          HG21      THR   3  21.361  -0.538  -1.356
   19   HG22  THR   3          HG22      THR   3  22.278  -1.425  -2.575
   20   HG23  THR   3          HG23      THR   3  23.121  -0.600  -1.264
   21    H    SER   4           H        SER   4  19.804  -2.349   1.134
   22    HA   SER   4           HA       SER   4  17.308  -1.561   0.044
   23    HB2  SER   4           HB2      SER   4  18.550  -0.772   2.688
   24    HB3  SER   4           HB3      SER   4  16.841  -0.669   2.262
   25    HG   SER   4           HG       SER   4  17.710  -3.157   1.795
   26    H    ASP   5           H        ASP   5  17.553  -0.102  -1.567
   27    HA   ASP   5           HA       ASP   5  17.945   2.629  -0.714
   28    HB2  ASP   5           HB2      ASP   5  20.227   1.954  -1.415
   29    HB3  ASP   5           HB3      ASP   5  19.589   1.498  -2.992
   30    H    PHE   6           H        PHE   6  15.924   3.193  -1.235
   31    HA   PHE   6           HA       PHE   6  15.006   3.490  -3.848
   32    HB2  PHE   6           HB2      PHE   6  13.101   1.710  -3.589
   33    HB3  PHE   6           HB3      PHE   6  14.669   1.223  -4.213
   34    HD1  PHE   6           HD1      PHE   6  14.814  -1.005  -3.644
   35    HD2  PHE   6           HD2      PHE   6  13.682   1.805  -0.657
   36    HE1  PHE   6           HE1      PHE   6  14.962  -2.768  -1.939
   37    HE2  PHE   6           HE2      PHE   6  13.831   0.045   1.054
   38    HZ   PHE   6           HZ       PHE   6  14.455  -2.254   0.414
   39    H    HIS   7           H        HIS   7  12.437   3.657  -3.748
   40    HA   HIS   7           HA       HIS   7  11.875   5.479  -1.560
   41    HB2  HIS   7           HB2      HIS   7  10.450   4.768  -4.111
   42    HB3  HIS   7           HB3      HIS   7   9.645   5.683  -2.848
   43    HD1  HIS   7           HD1      HIS   7  11.425   6.206  -5.854
   44    HD2  HIS   7           HD2      HIS   7  11.352   8.088  -2.147
   45    HE1  HIS   7           HE1      HIS   7  12.334   8.516  -6.253
   46    HE2  HIS   7           HE2      HIS   7  12.175   9.674  -4.021
   47    H    THR   8           H        THR   8  10.933   4.813   0.254
   48    HA   THR   8           HA       THR   8   9.750   2.247   0.494
   49    HB   THR   8           HB       THR   8   8.928   3.284   2.744
   50    HG1  THR   8           HG1      THR   8  10.888   4.993   2.990
   51   HG21  THR   8          HG21      THR   8  11.077   2.774   3.737
   52   HG22  THR   8          HG22      THR   8  11.879   2.968   2.178
   53   HG23  THR   8          HG23      THR   8  10.754   1.632   2.429
   54    H    CYS   9           H        CYS   9   7.499   2.286   1.777
   55    HA   CYS   9           HA       CYS   9   5.653   3.431  -0.175
   56    HB2  CYS   9           HB2      CYS   9   5.406   1.052   0.213
   57    HB3  CYS   9           HB3      CYS   9   5.297   1.305   1.953
   58    H    GLN  10           H        GLN  10   5.459   2.791   3.306
   59    HA   GLN  10           HA       GLN  10   3.732   5.061   3.682
   60    HB2  GLN  10           HB2      GLN  10   4.156   4.409   6.177
   61    HB3  GLN  10           HB3      GLN  10   3.193   3.350   5.158
   62    HG2  GLN  10           HG2      GLN  10   5.303   2.061   4.720
   63    HG3  GLN  10           HG3      GLN  10   6.048   3.003   6.005
   64   HE21  GLN  10          HE21      GLN  10   5.541   0.143   5.787
   65   HE22  GLN  10          HE22      GLN  10   4.589  -0.278   7.164
   66    H    ASP  11           H        ASP  11   4.602   6.936   3.456
   67    HA   ASP  11           HA       ASP  11   6.297   8.336   4.982
   68    HB2  ASP  11           HB2      ASP  11   8.072   6.630   4.537
   69    HB3  ASP  11           HB3      ASP  11   7.972   7.002   2.822
   70    H    LYS  12           H        LYS  12   6.078   7.463   1.523
   71    HA   LYS  12           HA       LYS  12   5.847  10.295   0.834
   72    HB2  LYS  12           HB2      LYS  12   5.921   7.862  -0.960
   73    HB3  LYS  12           HB3      LYS  12   6.001   9.530  -1.491
   74    HG2  LYS  12           HG2      LYS  12   8.163   8.633  -1.617
   75    HG3  LYS  12           HG3      LYS  12   8.163   9.727  -0.244
   76    HD2  LYS  12           HD2      LYS  12   8.010   7.857   1.262
   77    HD3  LYS  12           HD3      LYS  12   7.855   6.732  -0.086
   78    HE2  LYS  12           HE2      LYS  12  10.118   6.707   0.798
   79    HE3  LYS  12           HE3      LYS  12  10.092   7.348  -0.844
   80    HZ1  LYS  12           HZ1      LYS  12  10.182   9.001   1.625
   81    HZ2  LYS  12           HZ2      LYS  12  10.264   9.571   0.030
   82    HZ3  LYS  12           HZ3      LYS  12  11.525   8.633   0.655
   83    H    GLY  13           H        GLY  13   3.995   7.315   0.824
   84    HA2  GLY  13           HA2      GLY  13   1.687   8.834  -0.215
   85    HA3  GLY  13           HA3      GLY  13   2.040   7.206  -0.750
   86    H    GLY  14           H        GLY  14   1.506   5.500   0.485
   87    HA2  GLY  14           HA2      GLY  14   0.014   6.070   2.947
   88    HA3  GLY  14           HA3      GLY  14  -0.672   5.041   1.698
   89    H    HIS  15           H        HIS  15  -0.713   3.541   3.608
   90    HA   HIS  15           HA       HIS  15   1.865   2.349   4.235
   91    HB2  HIS  15           HB2      HIS  15   0.751   1.186   5.968
   92    HB3  HIS  15           HB3      HIS  15   0.034   2.787   5.962
   93    HD1  HIS  15           HD1      HIS  15  -1.030  -0.397   6.577
   94    HD2  HIS  15           HD2      HIS  15  -2.360   2.500   3.898
   95    HE1  HIS  15           HE1      HIS  15  -3.385  -1.047   6.002
   96    HE2  HIS  15           HE2      HIS  15  -4.125   0.640   4.289
   97    H    CYS  16           H        CYS  16   2.029  -0.050   4.170
   98    HA   CYS  16           HA       CYS  16   1.347  -0.953   1.530
   99    HB2  CYS  16           HB2      CYS  16   2.756  -2.347   3.815
  100    HB3  CYS  16           HB3      CYS  16   2.593  -2.995   2.186
  101    H    VAL  17           H        VAL  17  -0.242  -2.283   0.942
  102    HA   VAL  17           HA       VAL  17  -1.796  -3.559   3.093
  103    HB   VAL  17           HB       VAL  17  -3.820  -3.268   1.856
  104   HG11  VAL  17          HG11      VAL  17  -2.253  -0.705   1.987
  105   HG12  VAL  17          HG12      VAL  17  -3.237  -1.418   3.266
  106   HG13  VAL  17          HG13      VAL  17  -4.002  -0.807   1.798
  107   HG21  VAL  17          HG21      VAL  17  -3.928  -2.083  -0.275
  108   HG22  VAL  17          HG22      VAL  17  -2.936  -3.536  -0.401
  109   HG23  VAL  17          HG23      VAL  17  -2.169  -1.952  -0.296
  110    H    SER  18           H        SER  18  -2.485  -5.563   2.815
  111    HA   SER  18           HA       SER  18  -1.084  -7.213   0.966
  112    HB2  SER  18           HB2      SER  18  -2.232  -9.024   2.093
  113    HB3  SER  18           HB3      SER  18  -1.631  -7.890   3.284
  114    HG   SER  18           HG       SER  18  -4.004  -8.744   3.256
  115    HA   PRO  19           HA       PRO  19  -3.819  -7.275  -2.465
  116    HB2  PRO  19           HB2      PRO  19  -3.804  -9.931  -3.132
  117    HB3  PRO  19           HB3      PRO  19  -2.492  -8.805  -3.496
  118    HG2  PRO  19           HG2      PRO  19  -2.761 -10.715  -1.202
  119    HG3  PRO  19           HG3      PRO  19  -1.356 -10.414  -2.246
  120    HD2  PRO  19           HD2      PRO  19  -1.495  -9.315   0.172
  121    HD3  PRO  19           HD3      PRO  19  -0.870  -8.385  -1.206
  122    H    LYS  20           H        LYS  20  -5.132  -7.627   0.185
  123    HA   LYS  20           HA       LYS  20  -7.628  -8.809  -0.788
  124    HB2  LYS  20           HB2      LYS  20  -6.338 -10.486   0.601
  125    HB3  LYS  20           HB3      LYS  20  -6.501  -9.388   1.961
  126    HG2  LYS  20           HG2      LYS  20  -8.145 -11.134   2.119
  127    HG3  LYS  20           HG3      LYS  20  -8.950  -9.597   1.804
  128    HD2  LYS  20           HD2      LYS  20  -9.194 -10.171  -0.540
  129    HD3  LYS  20           HD3      LYS  20  -8.299 -11.671  -0.290
  130    HE2  LYS  20           HE2      LYS  20 -10.908 -10.972   1.051
  131    HE3  LYS  20           HE3      LYS  20 -10.755 -11.990  -0.379
  132    HZ1  LYS  20           HZ1      LYS  20 -10.943 -13.304   1.635
  133    HZ2  LYS  20           HZ2      LYS  20  -9.569 -12.563   2.284
  134    HZ3  LYS  20           HZ3      LYS  20  -9.432 -13.545   0.912
  135    H    ILE  21           H        ILE  21  -6.218  -6.133   0.062
  136    HA   ILE  21           HA       ILE  21  -8.159  -5.229   2.082
  137    HB   ILE  21           HB       ILE  21  -5.561  -3.938   1.232
  138   HG12  ILE  21          HG12      ILE  21  -5.154  -6.056   2.376
  139   HG13  ILE  21          HG13      ILE  21  -4.695  -4.707   3.406
  140   HG21  ILE  21          HG21      ILE  21  -5.838  -2.537   3.219
  141   HG22  ILE  21          HG22      ILE  21  -7.397  -3.297   3.538
  142   HG23  ILE  21          HG23      ILE  21  -7.172  -2.321   2.086
  143   HD11  ILE  21          HD11      ILE  21  -6.797  -4.953   4.638
  144   HD12  ILE  21          HD12      ILE  21  -5.814  -6.416   4.690
  145   HD13  ILE  21          HD13      ILE  21  -7.218  -6.332   3.624
  146    H    ARG  22           H        ARG  22  -9.397  -3.409   1.766
  147    HA   ARG  22           HA       ARG  22  -9.940  -2.652  -0.952
  148    HB2  ARG  22           HB2      ARG  22 -11.644  -3.012   0.907
  149    HB3  ARG  22           HB3      ARG  22 -11.101  -1.482   1.576
  150    HG2  ARG  22           HG2      ARG  22 -12.112  -1.701  -1.230
  151    HG3  ARG  22           HG3      ARG  22 -13.200  -1.486   0.138
  152    HD2  ARG  22           HD2      ARG  22 -11.004   0.365  -0.773
  153    HD3  ARG  22           HD3      ARG  22 -12.740   0.668  -0.805
  154    HE   ARG  22           HE       ARG  22 -11.000   0.683   1.555
  155   HH11  ARG  22          HH11      ARG  22 -14.188   1.123   0.174
  156   HH12  ARG  22          HH12      ARG  22 -14.791   2.007   1.540
  157   HH21  ARG  22          HH21      ARG  22 -11.779   1.852   3.339
  158   HH22  ARG  22          HH22      ARG  22 -13.431   2.407   3.342
  159    H    CYS  23           H        CYS  23  -8.847  -1.118  -1.966
  160    HA   CYS  23           HA       CYS  23  -7.357   0.889  -0.468
  161    HB2  CYS  23           HB2      CYS  23  -7.404   0.250  -3.422
  162    HB3  CYS  23           HB3      CYS  23  -6.292   1.353  -2.627
  163    H    LEU  24           H        LEU  24  -7.868   3.024  -0.432
  164    HA   LEU  24           HA       LEU  24 -10.186   3.962  -1.900
  165    HB2  LEU  24           HB2      LEU  24  -8.359   5.158   0.142
  166    HB3  LEU  24           HB3      LEU  24  -9.301   6.226  -0.875
  167    HG   LEU  24           HG       LEU  24 -10.427   5.898   1.231
  168   HD11  LEU  24          HD11      LEU  24 -11.799   6.131  -0.788
  169   HD12  LEU  24          HD12      LEU  24 -12.590   5.159   0.451
  170   HD13  LEU  24          HD13      LEU  24 -11.851   4.375  -0.943
  171   HD21  LEU  24          HD21      LEU  24 -10.363   2.962   0.572
  172   HD22  LEU  24          HD22      LEU  24 -11.241   3.694   1.916
  173   HD23  LEU  24          HD23      LEU  24  -9.480   3.770   1.868
  174    H    GLU  25           H        GLU  25  -6.731   4.739  -1.726
  175    HA   GLU  25           HA       GLU  25  -6.828   5.355  -4.587
  176    HB2  GLU  25           HB2      GLU  25  -6.949   7.486  -3.318
  177    HB3  GLU  25           HB3      GLU  25  -5.435   7.077  -2.527
  178    HG2  GLU  25           HG2      GLU  25  -5.085   8.653  -4.334
  179    HG3  GLU  25           HG3      GLU  25  -4.288   7.116  -4.673
  180    H    GLU  26           H        GLU  26  -5.396   4.090  -5.577
  181    HA   GLU  26           HA       GLU  26  -3.331   2.766  -4.082
  182    HB2  GLU  26           HB2      GLU  26  -4.008   2.736  -7.023
  183    HB3  GLU  26           HB3      GLU  26  -2.734   1.767  -6.296
  184    HG2  GLU  26           HG2      GLU  26  -4.388   0.642  -4.891
  185    HG3  GLU  26           HG3      GLU  26  -5.664   1.611  -5.626
  186    H    GLN  27           H        GLN  27  -1.133   2.974  -4.322
  187    HA   GLN  27           HA       GLN  27  -0.074   5.209  -5.847
  188    HB2  GLN  27           HB2      GLN  27  -0.131   6.579  -4.063
  189    HB3  GLN  27           HB3      GLN  27  -0.682   5.286  -3.019
  190    HG2  GLN  27           HG2      GLN  27   1.222   5.916  -1.962
  191    HG3  GLN  27           HG3      GLN  27   1.842   4.634  -2.991
  192   HE21  GLN  27          HE21      GLN  27   3.263   6.840  -1.813
  193   HE22  GLN  27          HE22      GLN  27   3.963   7.736  -3.112
  194    H    LEU  28           H        LEU  28   2.369   5.152  -5.774
  195    HA   LEU  28           HA       LEU  28   3.174   2.342  -5.682
  196    HB2  LEU  28           HB2      LEU  28   5.104   3.121  -7.130
  197    HB3  LEU  28           HB3      LEU  28   3.516   3.052  -7.856
  198    HG   LEU  28           HG       LEU  28   3.365   5.559  -7.463
  199   HD11  LEU  28          HD11      LEU  28   5.463   6.768  -7.235
  200   HD12  LEU  28          HD12      LEU  28   6.336   5.247  -7.047
  201   HD13  LEU  28          HD13      LEU  28   5.176   5.755  -5.820
  202   HD21  LEU  28          HD21      LEU  28   3.733   4.595  -9.633
  203   HD22  LEU  28          HD22      LEU  28   5.452   4.408  -9.291
  204   HD23  LEU  28          HD23      LEU  28   4.755   6.022  -9.447
  205    H    GLY  29           H        GLY  29   5.032   1.679  -4.757
  206    HA2  GLY  29           HA2      GLY  29   6.827   3.341  -3.343
  207    HA3  GLY  29           HA3      GLY  29   5.572   2.761  -2.252
  208    H    LEU  30           H        LEU  30   7.655   1.809  -1.301
  209    HA   LEU  30           HA       LEU  30   8.130  -0.803  -2.536
  210    HB2  LEU  30           HB2      LEU  30  10.201   0.176  -2.117
  211    HB3  LEU  30           HB3      LEU  30   9.689   0.824  -0.572
  212    HG   LEU  30           HG       LEU  30   9.421  -1.868  -0.181
  213   HD11  LEU  30          HD11      LEU  30  11.494  -2.895  -0.941
  214   HD12  LEU  30          HD12      LEU  30  11.906  -1.424  -1.825
  215   HD13  LEU  30          HD13      LEU  30  10.500  -2.376  -2.303
  216   HD21  LEU  30          HD21      LEU  30  11.767  -0.075   0.382
  217   HD22  LEU  30          HD22      LEU  30  11.431  -1.607   1.195
  218   HD23  LEU  30          HD23      LEU  30  10.314  -0.249   1.365
  219    H    CYS  31           H        CYS  31   7.090  -2.440  -1.759
  220    HA   CYS  31           HA       CYS  31   6.659  -2.591   1.145
  221    HB2  CYS  31           HB2      CYS  31   4.815  -3.668  -0.998
  222    HB3  CYS  31           HB3      CYS  31   4.601  -3.855   0.737
  223    HA   PRO  32           HA       PRO  32   9.130  -6.118  -0.063
  224    HB2  PRO  32           HB2      PRO  32  10.386  -6.503   2.243
  225    HB3  PRO  32           HB3      PRO  32  10.703  -5.040   1.301
  226    HG2  PRO  32           HG2      PRO  32   9.005  -5.402   3.741
  227    HG3  PRO  32           HG3      PRO  32  10.080  -4.050   3.315
  228    HD2  PRO  32           HD2      PRO  32   7.299  -4.135   2.937
  229    HD3  PRO  32           HD3      PRO  32   8.409  -2.985   2.174
  230    H    LEU  33           H        LEU  33   7.420  -7.629  -0.347
  231    HA   LEU  33           HA       LEU  33   7.146  -9.618   1.673
  232    HB2  LEU  33           HB2      LEU  33   4.868  -7.710   1.201
  233    HB3  LEU  33           HB3      LEU  33   4.563  -9.361   1.701
  234    HG   LEU  33           HG       LEU  33   6.252  -7.400   3.254
  235   HD11  LEU  33          HD11      LEU  33   4.384  -7.250   4.801
  236   HD12  LEU  33          HD12      LEU  33   3.411  -8.261   3.735
  237   HD13  LEU  33          HD13      LEU  33   3.935  -6.664   3.200
  238   HD21  LEU  33          HD21      LEU  33   6.878  -9.663   3.696
  239   HD22  LEU  33          HD22      LEU  33   5.190 -10.134   3.903
  240   HD23  LEU  33          HD23      LEU  33   5.955  -9.048   5.067
  241    H    LYS  34           H        LYS  34   4.400  -8.965  -0.324
  242    HA   LYS  34           HA       LYS  34   5.262 -11.089  -2.161
  243    HB2  LYS  34           HB2      LYS  34   2.468 -10.479  -1.188
  244    HB3  LYS  34           HB3      LYS  34   2.921 -11.775  -2.289
  245    HG2  LYS  34           HG2      LYS  34   3.991 -11.540   0.505
  246    HG3  LYS  34           HG3      LYS  34   2.542 -12.437   0.095
  247    HD2  LYS  34           HD2      LYS  34   5.143 -12.993  -1.285
  248    HD3  LYS  34           HD3      LYS  34   4.779 -13.710   0.281
  249    HE2  LYS  34           HE2      LYS  34   4.174 -15.293  -1.397
  250    HE3  LYS  34           HE3      LYS  34   2.687 -14.644  -0.715
  251    HZ1  LYS  34           HZ1      LYS  34   2.348 -13.316  -2.626
  252    HZ2  LYS  34           HZ2      LYS  34   2.722 -14.865  -3.182
  253    HZ3  LYS  34           HZ3      LYS  34   3.892 -13.646  -3.235
  254    H    ARG  35           H        ARG  35   2.251  -9.491  -2.536
  255    HA   ARG  35           HA       ARG  35   3.271  -7.931  -4.777
  256    HB2  ARG  35           HB2      ARG  35   1.168  -8.313  -5.938
  257    HB3  ARG  35           HB3      ARG  35   1.994  -9.823  -5.588
  258    HG2  ARG  35           HG2      ARG  35   0.512 -10.277  -3.768
  259    HG3  ARG  35           HG3      ARG  35  -0.258  -8.698  -3.957
  260    HD2  ARG  35           HD2      ARG  35  -0.190 -10.842  -6.059
  261    HD3  ARG  35           HD3      ARG  35  -1.551 -10.549  -4.976
  262    HE   ARG  35           HE       ARG  35  -1.021  -8.134  -6.205
  263   HH11  ARG  35          HH11      ARG  35  -1.931 -11.359  -7.217
  264   HH12  ARG  35          HH12      ARG  35  -2.772 -10.819  -8.634
  265   HH21  ARG  35          HH21      ARG  35  -2.127  -7.418  -8.073
  266   HH22  ARG  35          HH22      ARG  35  -2.881  -8.576  -9.124
  267    H    TRP  36           H        TRP  36   3.152  -6.954  -2.193
  268    HA   TRP  36           HA       TRP  36   0.582  -5.968  -1.484
  269    HB2  TRP  36           HB2      TRP  36   3.357  -5.660  -0.396
  270    HB3  TRP  36           HB3      TRP  36   2.049  -4.670   0.235
  271    HD1  TRP  36           HD1      TRP  36   2.164  -8.496  -0.544
  272    HE1  TRP  36           HE1      TRP  36   1.331  -9.732   1.535
  273    HE3  TRP  36           HE3      TRP  36   1.457  -4.482   2.506
  274    HZ2  TRP  36           HZ2      TRP  36   0.488  -9.068   4.163
  275    HZ3  TRP  36           HZ3      TRP  36   0.632  -4.863   4.763
  276    HH2  TRP  36           HH2      TRP  36   0.167  -7.099   5.585
  277    H    THR  37           H        THR  37  -0.286  -4.019  -1.657
  278    HA   THR  37           HA       THR  37   0.889  -2.246  -3.656
  279    HB   THR  37           HB       THR  37  -1.910  -2.551  -2.559
  280    HG1  THR  37           HG1      THR  37  -0.526  -3.402  -4.820
  281   HG21  THR  37          HG21      THR  37  -0.896  -0.548  -4.580
  282   HG22  THR  37          HG22      THR  37  -1.633  -0.200  -3.010
  283   HG23  THR  37          HG23      THR  37  -2.600  -0.916  -4.303
  284    H    CYS  38           H        CYS  38   1.220  -0.031  -3.304
  285    HA   CYS  38           HA       CYS  38   1.327   0.788  -0.518
  286    HB2  CYS  38           HB2      CYS  38   3.131   1.309  -2.245
  287    HB3  CYS  38           HB3      CYS  38   1.992   2.451  -2.947
  288    H    CYS  39           H        CYS  39  -0.843   0.987   0.061
  289    HA   CYS  39           HA       CYS  39  -2.557   2.490  -1.727
  290    HB2  CYS  39           HB2      CYS  39  -2.995   0.621   0.531
  291    HB3  CYS  39           HB3      CYS  39  -4.274   1.743   0.099
  292    H    LYS  40           H        LYS  40  -2.785   4.530  -1.518
  293    HA   LYS  40           HA       LYS  40  -2.177   6.029   0.815
  294    HB2  LYS  40           HB2      LYS  40  -2.035   6.964  -1.461
  295    HB3  LYS  40           HB3      LYS  40  -3.767   6.765  -1.651
  296    HG2  LYS  40           HG2      LYS  40  -3.290   9.064  -1.198
  297    HG3  LYS  40           HG3      LYS  40  -4.114   8.369   0.200
  298    HD2  LYS  40           HD2      LYS  40  -2.079   8.213   1.421
  299    HD3  LYS  40           HD3      LYS  40  -1.124   8.608  -0.010
  300    HE2  LYS  40           HE2      LYS  40  -1.352  10.497   1.581
  301    HE3  LYS  40           HE3      LYS  40  -1.970  10.852  -0.029
  302    HZ1  LYS  40           HZ1      LYS  40  -4.192  10.558   0.742
  303    HZ2  LYS  40           HZ2      LYS  40  -3.415  11.629   1.794
  304    HZ3  LYS  40           HZ3      LYS  40  -3.670  10.016   2.261
  305    H    GLU  41           H        GLU  41  -3.384   4.979   2.417
  306    HA   GLU  41           HA       GLU  41  -5.048   4.910   3.936
  307    HB2  GLU  41           HB2      GLU  41  -6.090   6.992   2.112
  308    HB3  GLU  41           HB3      GLU  41  -7.235   6.257   3.223
  309    HG2  GLU  41           HG2      GLU  41  -6.361   8.254   4.207
  310    HG3  GLU  41           HG3      GLU  41  -5.739   6.865   5.094
  311    H    ILE  42           H        ILE  42  -6.847   3.714   4.416
  312    HA   ILE  42           HA       ILE  42  -8.152   2.267   2.234
  313    HB   ILE  42           HB       ILE  42  -7.894   0.133   3.289
  314   HG12  ILE  42          HG12      ILE  42  -7.900   0.822   5.648
  315   HG13  ILE  42          HG13      ILE  42  -6.555  -0.247   5.297
  316   HG21  ILE  42          HG21      ILE  42  -6.146   0.736   1.770
  317   HG22  ILE  42          HG22      ILE  42  -5.466  -0.206   3.097
  318   HG23  ILE  42          HG23      ILE  42  -5.250   1.545   3.056
  319   HD11  ILE  42          HD11      ILE  42  -5.800   1.461   6.766
  320   HD12  ILE  42          HD12      ILE  42  -6.456   2.723   5.728
  321   HD13  ILE  42          HD13      ILE  42  -5.083   1.761   5.184
  Start of MODEL    3
    1    H1   ASP   1           H1       ASP   1  19.522  -5.573  -5.645
    2    H2   ASP   1           H2       ASP   1  17.975  -4.910  -5.774
    3    H3   ASP   1           H3       ASP   1  18.298  -6.069  -4.587
    4    HA   ASP   1           HA       ASP   1  19.419  -3.341  -4.734
    5    HB2  ASP   1           HB2      ASP   1  18.152  -2.949  -2.672
    6    HB3  ASP   1           HB3      ASP   1  17.075  -3.419  -3.983
    7    H    THR   2           H        THR   2  21.254  -3.013  -3.679
    8    HA   THR   2           HA       THR   2  22.530  -5.183  -2.250
    9    HB   THR   2           HB       THR   2  23.540  -2.347  -2.480
   10    HG1  THR   2           HG1      THR   2  23.616  -4.459  -4.392
   11   HG21  THR   2          HG21      THR   2  25.740  -3.420  -2.395
   12   HG22  THR   2          HG22      THR   2  24.969  -5.002  -2.293
   13   HG23  THR   2          HG23      THR   2  24.777  -3.844  -0.979
   14    H    THR   3           H        THR   3  20.566  -2.522  -1.592
   15    HA   THR   3           HA       THR   3  20.308  -3.139   1.165
   16    HB   THR   3           HB       THR   3  22.425  -1.829   1.269
   17    HG1  THR   3           HG1      THR   3  20.743   0.007   2.417
   18   HG21  THR   3          HG21      THR   3  22.077  -0.391  -0.676
   19   HG22  THR   3          HG22      THR   3  22.392   0.571   0.768
   20   HG23  THR   3          HG23      THR   3  20.748   0.420   0.150
   21    H    SER   4           H        SER   4  18.538  -1.844   2.104
   22    HA   SER   4           HA       SER   4  16.619  -1.124   0.130
   23    HB2  SER   4           HB2      SER   4  16.455  -0.639   3.110
   24    HB3  SER   4           HB3      SER   4  15.113  -0.722   1.964
   25    HG   SER   4           HG       SER   4  15.168  -2.706   2.846
   26    H    ASP   5           H        ASP   5  17.264   0.594  -1.024
   27    HA   ASP   5           HA       ASP   5  17.119   3.176   0.329
   28    HB2  ASP   5           HB2      ASP   5  19.536   2.678   0.111
   29    HB3  ASP   5           HB3      ASP   5  19.323   2.428  -1.618
   30    H    PHE   6           H        PHE   6  15.221   3.726  -0.580
   31    HA   PHE   6           HA       PHE   6  14.956   4.336  -3.309
   32    HB2  PHE   6           HB2      PHE   6  13.119   2.503  -3.677
   33    HB3  PHE   6           HB3      PHE   6  14.810   2.104  -3.944
   34    HD1  PHE   6           HD1      PHE   6  15.086  -0.114  -3.449
   35    HD2  PHE   6           HD2      PHE   6  12.795   2.297  -0.792
   36    HE1  PHE   6           HE1      PHE   6  14.902  -2.010  -1.894
   37    HE2  PHE   6           HE2      PHE   6  12.608   0.402   0.769
   38    HZ   PHE   6           HZ       PHE   6  13.661  -1.756   0.217
   39    H    HIS   7           H        HIS   7  12.401   4.386  -3.797
   40    HA   HIS   7           HA       HIS   7  11.338   6.055  -1.689
   41    HB2  HIS   7           HB2      HIS   7  10.374   5.388  -4.467
   42    HB3  HIS   7           HB3      HIS   7   9.419   6.337  -3.336
   43    HD1  HIS   7           HD1      HIS   7  11.865   6.720  -5.943
   44    HD2  HIS   7           HD2      HIS   7  10.912   8.737  -2.435
   45    HE1  HIS   7           HE1      HIS   7  12.918   8.992  -6.164
   46    HE2  HIS   7           HE2      HIS   7  12.424  10.156  -3.984
   47    H    THR   8           H        THR   8  10.686   4.875  -0.023
   48    HA   THR   8           HA       THR   8   9.439   2.354  -0.208
   49    HB   THR   8           HB       THR   8   8.822   2.933   2.265
   50    HG1  THR   8           HG1      THR   8   9.930   4.679   3.095
   51   HG21  THR   8          HG21      THR   8  10.607   1.394   1.633
   52   HG22  THR   8          HG22      THR   8  11.138   2.430   2.959
   53   HG23  THR   8          HG23      THR   8  11.689   2.751   1.316
   54    H    CYS   9           H        CYS   9   7.306   2.346   1.474
   55    HA   CYS   9           HA       CYS   9   5.314   3.496  -0.327
   56    HB2  CYS   9           HB2      CYS   9   5.123   1.349   1.810
   57    HB3  CYS   9           HB3      CYS   9   3.733   1.962   0.913
   58    H    GLN  10           H        GLN  10   5.382   2.881   3.178
   59    HA   GLN  10           HA       GLN  10   3.651   5.145   3.595
   60    HB2  GLN  10           HB2      GLN  10   4.073   4.539   6.065
   61    HB3  GLN  10           HB3      GLN  10   3.174   3.402   5.075
   62    HG2  GLN  10           HG2      GLN  10   5.401   2.224   4.708
   63    HG3  GLN  10           HG3      GLN  10   6.000   3.204   6.044
   64   HE21  GLN  10          HE21      GLN  10   5.649   0.316   5.815
   65   HE22  GLN  10          HE22      GLN  10   4.591  -0.145   7.097
   66    H    ASP  11           H        ASP  11   4.475   7.010   3.328
   67    HA   ASP  11           HA       ASP  11   6.201   8.447   4.790
   68    HB2  ASP  11           HB2      ASP  11   7.994   6.778   4.237
   69    HB3  ASP  11           HB3      ASP  11   7.796   7.177   2.539
   70    H    LYS  12           H        LYS  12   5.947   7.568   1.347
   71    HA   LYS  12           HA       LYS  12   5.650  10.376   0.614
   72    HB2  LYS  12           HB2      LYS  12   5.736   7.883  -1.091
   73    HB3  LYS  12           HB3      LYS  12   5.711   9.523  -1.702
   74    HG2  LYS  12           HG2      LYS  12   7.905   8.672  -1.872
   75    HG3  LYS  12           HG3      LYS  12   7.913   9.900  -0.615
   76    HD2  LYS  12           HD2      LYS  12   7.841   8.129   1.062
   77    HD3  LYS  12           HD3      LYS  12   7.836   6.911  -0.211
   78    HE2  LYS  12           HE2      LYS  12  10.068   7.163   0.704
   79    HE3  LYS  12           HE3      LYS  12  10.027   7.728  -0.965
   80    HZ1  LYS  12           HZ1      LYS  12   9.857   9.489   1.423
   81    HZ2  LYS  12           HZ2      LYS  12   9.950   9.989  -0.195
   82    HZ3  LYS  12           HZ3      LYS  12  11.270   9.215   0.524
   83    H    GLY  13           H        GLY  13   3.826   7.388   0.716
   84    HA2  GLY  13           HA2      GLY  13   1.456   8.869  -0.225
   85    HA3  GLY  13           HA3      GLY  13   1.791   7.230  -0.744
   86    H    GLY  14           H        GLY  14   1.633   5.558   0.725
   87    HA2  GLY  14           HA2      GLY  14   0.365   6.044   3.279
   88    HA3  GLY  14           HA3      GLY  14  -0.629   5.242   2.072
   89    H    HIS  15           H        HIS  15  -0.643   3.480   3.686
   90    HA   HIS  15           HA       HIS  15   1.925   2.215   4.233
   91    HB2  HIS  15           HB2      HIS  15   0.823   1.050   5.966
   92    HB3  HIS  15           HB3      HIS  15   0.131   2.663   5.996
   93    HD1  HIS  15           HD1      HIS  15  -0.937  -0.596   6.467
   94    HD2  HIS  15           HD2      HIS  15  -2.354   2.493   4.069
   95    HE1  HIS  15           HE1      HIS  15  -3.332  -1.167   5.976
   96    HE2  HIS  15           HE2      HIS  15  -4.205   0.777   4.642
   97    H    CYS  16           H        CYS  16   2.013  -0.174   4.169
   98    HA   CYS  16           HA       CYS  16   1.304  -1.052   1.528
   99    HB2  CYS  16           HB2      CYS  16   2.669  -2.509   3.800
  100    HB3  CYS  16           HB3      CYS  16   2.575  -3.068   2.130
  101    H    VAL  17           H        VAL  17  -0.338  -2.335   0.957
  102    HA   VAL  17           HA       VAL  17  -1.857  -3.634   3.117
  103    HB   VAL  17           HB       VAL  17  -3.908  -3.368   1.797
  104   HG11  VAL  17          HG11      VAL  17  -4.236  -0.970   2.149
  105   HG12  VAL  17          HG12      VAL  17  -2.494  -0.764   2.342
  106   HG13  VAL  17          HG13      VAL  17  -3.403  -1.727   3.507
  107   HG21  VAL  17          HG21      VAL  17  -2.220  -1.688  -0.054
  108   HG22  VAL  17          HG22      VAL  17  -3.976  -1.839  -0.123
  109   HG23  VAL  17          HG23      VAL  17  -2.955  -3.243  -0.437
  110    H    SER  18           H        SER  18  -2.403  -5.648   2.893
  111    HA   SER  18           HA       SER  18  -1.083  -7.295   1.038
  112    HB2  SER  18           HB2      SER  18  -2.368  -9.086   2.087
  113    HB3  SER  18           HB3      SER  18  -1.728  -8.003   3.305
  114    HG   SER  18           HG       SER  18  -3.746  -7.054   3.509
  115    HA   PRO  19           HA       PRO  19  -3.520  -7.153  -2.552
  116    HB2  PRO  19           HB2      PRO  19  -3.608  -9.758  -3.348
  117    HB3  PRO  19           HB3      PRO  19  -2.188  -8.719  -3.508
  118    HG2  PRO  19           HG2      PRO  19  -2.849 -10.691  -1.347
  119    HG3  PRO  19           HG3      PRO  19  -1.326 -10.482  -2.234
  120    HD2  PRO  19           HD2      PRO  19  -1.601  -9.458   0.196
  121    HD3  PRO  19           HD3      PRO  19  -0.782  -8.533  -1.084
  122    H    LYS  20           H        LYS  20  -5.155  -7.595  -0.051
  123    HA   LYS  20           HA       LYS  20  -7.567  -8.458  -1.450
  124    HB2  LYS  20           HB2      LYS  20  -6.530 -10.416  -0.168
  125    HB3  LYS  20           HB3      LYS  20  -6.940  -9.538   1.295
  126    HG2  LYS  20           HG2      LYS  20  -8.614 -11.213   0.805
  127    HG3  LYS  20           HG3      LYS  20  -9.304  -9.598   0.674
  128    HD2  LYS  20           HD2      LYS  20 -10.028 -11.116  -1.142
  129    HD3  LYS  20           HD3      LYS  20  -9.179  -9.691  -1.735
  130    HE2  LYS  20           HE2      LYS  20  -8.479 -11.731  -2.903
  131    HE3  LYS  20           HE3      LYS  20  -7.149 -10.984  -2.025
  132    HZ1  LYS  20           HZ1      LYS  20  -7.078 -13.327  -1.678
  133    HZ2  LYS  20           HZ2      LYS  20  -8.701 -13.379  -1.211
  134    HZ3  LYS  20           HZ3      LYS  20  -7.564 -12.614  -0.224
  135    H    ILE  21           H        ILE  21  -6.199  -6.022  -0.139
  136    HA   ILE  21           HA       ILE  21  -8.258  -5.312   1.829
  137    HB   ILE  21           HB       ILE  21  -5.670  -3.898   1.162
  138   HG12  ILE  21          HG12      ILE  21  -5.252  -6.062   2.206
  139   HG13  ILE  21          HG13      ILE  21  -4.883  -4.764   3.334
  140   HG21  ILE  21          HG21      ILE  21  -7.617  -3.415   3.413
  141   HG22  ILE  21          HG22      ILE  21  -7.349  -2.362   2.025
  142   HG23  ILE  21          HG23      ILE  21  -6.063  -2.610   3.206
  143   HD11  ILE  21          HD11      ILE  21  -7.373  -6.452   3.333
  144   HD12  ILE  21          HD12      ILE  21  -7.020  -5.141   4.457
  145   HD13  ILE  21          HD13      ILE  21  -6.014  -6.589   4.447
  146    H    ARG  22           H        ARG  22  -9.657  -3.644   1.530
  147    HA   ARG  22           HA       ARG  22 -10.108  -2.652  -1.094
  148    HB2  ARG  22           HB2      ARG  22 -11.872  -3.039   0.653
  149    HB3  ARG  22           HB3      ARG  22 -11.248  -1.649   1.524
  150    HG2  ARG  22           HG2      ARG  22 -12.052  -1.313  -1.314
  151    HG3  ARG  22           HG3      ARG  22 -13.304  -1.440  -0.081
  152    HD2  ARG  22           HD2      ARG  22 -11.027   0.537  -0.025
  153    HD3  ARG  22           HD3      ARG  22 -12.649   0.898  -0.607
  154    HE   ARG  22           HE       ARG  22 -12.104   0.055   2.169
  155   HH11  ARG  22          HH11      ARG  22 -13.655   2.196  -0.138
  156   HH12  ARG  22          HH12      ARG  22 -14.544   3.056   1.074
  157   HH21  ARG  22          HH21      ARG  22 -13.268   1.201   3.760
  158   HH22  ARG  22          HH22      ARG  22 -14.335   2.484   3.283
  159    H    CYS  23           H        CYS  23  -8.879  -1.171  -2.021
  160    HA   CYS  23           HA       CYS  23  -7.414   0.727  -0.338
  161    HB2  CYS  23           HB2      CYS  23  -6.234  -0.780  -2.024
  162    HB3  CYS  23           HB3      CYS  23  -6.992   0.197  -3.278
  163    H    LEU  24           H        LEU  24  -7.769   2.874  -0.430
  164    HA   LEU  24           HA       LEU  24  -9.981   3.835  -2.023
  165    HB2  LEU  24           HB2      LEU  24  -8.306   4.975   0.166
  166    HB3  LEU  24           HB3      LEU  24  -9.163   6.079  -0.890
  167    HG   LEU  24           HG       LEU  24 -10.466   5.699   1.101
  168   HD11  LEU  24          HD11      LEU  24 -11.699   4.222  -1.214
  169   HD12  LEU  24          HD12      LEU  24 -11.661   5.974  -1.023
  170   HD13  LEU  24          HD13      LEU  24 -12.555   4.981   0.127
  171   HD21  LEU  24          HD21      LEU  24 -11.362   3.450   1.621
  172   HD22  LEU  24          HD22      LEU  24  -9.619   3.577   1.825
  173   HD23  LEU  24          HD23      LEU  24 -10.281   2.776   0.402
  174    H    GLU  25           H        GLU  25  -6.533   4.747  -1.664
  175    HA   GLU  25           HA       GLU  25  -6.576   5.311  -4.548
  176    HB2  GLU  25           HB2      GLU  25  -6.711   7.447  -3.359
  177    HB3  GLU  25           HB3      GLU  25  -5.278   7.037  -2.434
  178    HG2  GLU  25           HG2      GLU  25  -3.921   7.103  -4.422
  179    HG3  GLU  25           HG3      GLU  25  -5.349   7.366  -5.424
  180    H    GLU  26           H        GLU  26  -5.231   3.924  -5.474
  181    HA   GLU  26           HA       GLU  26  -3.217   2.539  -4.004
  182    HB2  GLU  26           HB2      GLU  26  -3.744   2.642  -6.971
  183    HB3  GLU  26           HB3      GLU  26  -2.622   1.542  -6.188
  184    HG2  GLU  26           HG2      GLU  26  -4.456   0.520  -4.960
  185    HG3  GLU  26           HG3      GLU  26  -5.592   1.640  -5.712
  186    H    GLN  27           H        GLN  27  -1.053   2.765  -4.026
  187    HA   GLN  27           HA       GLN  27   0.084   5.075  -5.438
  188    HB2  GLN  27           HB2      GLN  27  -0.553   5.111  -2.773
  189    HB3  GLN  27           HB3      GLN  27   1.111   4.553  -2.723
  190    HG2  GLN  27           HG2      GLN  27   0.276   7.023  -4.207
  191    HG3  GLN  27           HG3      GLN  27   0.731   7.037  -2.506
  192   HE21  GLN  27          HE21      GLN  27   2.869   6.650  -1.935
  193   HE22  GLN  27          HE22      GLN  27   4.157   6.744  -3.081
  194    H    LEU  28           H        LEU  28   2.384   4.919  -5.751
  195    HA   LEU  28           HA       LEU  28   3.288   2.144  -5.859
  196    HB2  LEU  28           HB2      LEU  28   5.085   3.101  -7.368
  197    HB3  LEU  28           HB3      LEU  28   3.447   3.109  -7.981
  198    HG   LEU  28           HG       LEU  28   3.406   5.571  -7.120
  199   HD11  LEU  28          HD11      LEU  28   6.371   5.108  -7.397
  200   HD12  LEU  28          HD12      LEU  28   5.513   5.529  -5.916
  201   HD13  LEU  28          HD13      LEU  28   5.586   6.680  -7.251
  202   HD21  LEU  28          HD21      LEU  28   3.232   4.923  -9.448
  203   HD22  LEU  28          HD22      LEU  28   4.982   4.726  -9.544
  204   HD23  LEU  28          HD23      LEU  28   4.286   6.326  -9.279
  205    H    GLY  29           H        GLY  29   5.082   1.415  -4.841
  206    HA2  GLY  29           HA2      GLY  29   7.029   3.106  -3.643
  207    HA3  GLY  29           HA3      GLY  29   5.861   2.558  -2.447
  208    H    LEU  30           H        LEU  30   7.972   1.629  -1.614
  209    HA   LEU  30           HA       LEU  30   8.429  -1.009  -2.825
  210    HB2  LEU  30           HB2      LEU  30  10.173   0.831  -1.255
  211    HB3  LEU  30           HB3      LEU  30  10.449  -0.888  -1.123
  212    HG   LEU  30           HG       LEU  30  11.953   0.095  -2.746
  213   HD11  LEU  30          HD11      LEU  30  11.209  -2.185  -3.132
  214   HD12  LEU  30          HD12      LEU  30  11.488  -1.343  -4.654
  215   HD13  LEU  30          HD13      LEU  30   9.842  -1.593  -4.076
  216   HD21  LEU  30          HD21      LEU  30  10.531   2.000  -3.369
  217   HD22  LEU  30          HD22      LEU  30   9.503   0.905  -4.295
  218   HD23  LEU  30          HD23      LEU  30  11.184   1.148  -4.768
  219    H    CYS  31           H        CYS  31   6.815  -2.187  -1.893
  220    HA   CYS  31           HA       CYS  31   6.885  -2.439   1.038
  221    HB2  CYS  31           HB2      CYS  31   4.894  -3.559  -0.951
  222    HB3  CYS  31           HB3      CYS  31   4.799  -3.713   0.798
  223    HA   PRO  32           HA       PRO  32   9.074  -6.176  -0.072
  224    HB2  PRO  32           HB2      PRO  32  10.334  -6.574   2.226
  225    HB3  PRO  32           HB3      PRO  32  10.691  -5.130   1.270
  226    HG2  PRO  32           HG2      PRO  32   9.048  -5.410   3.747
  227    HG3  PRO  32           HG3      PRO  32  10.101  -4.070   3.247
  228    HD2  PRO  32           HD2      PRO  32   7.281  -4.245   2.934
  229    HD3  PRO  32           HD3      PRO  32   8.351  -3.017   2.231
  230    H    LEU  33           H        LEU  33   7.365  -7.646  -0.347
  231    HA   LEU  33           HA       LEU  33   7.139  -9.640   1.671
  232    HB2  LEU  33           HB2      LEU  33   4.810  -7.807   1.200
  233    HB3  LEU  33           HB3      LEU  33   4.545  -9.476   1.662
  234    HG   LEU  33           HG       LEU  33   6.117  -7.462   3.266
  235   HD11  LEU  33          HD11      LEU  33   4.264  -7.530   4.834
  236   HD12  LEU  33          HD12      LEU  33   3.373  -8.593   3.746
  237   HD13  LEU  33          HD13      LEU  33   3.743  -6.940   3.257
  238   HD21  LEU  33          HD21      LEU  33   5.916  -9.227   5.029
  239   HD22  LEU  33          HD22      LEU  33   6.988  -9.610   3.685
  240   HD23  LEU  33          HD23      LEU  33   5.374 -10.326   3.758
  241    H    LYS  34           H        LYS  34   4.425  -9.042  -0.415
  242    HA   LYS  34           HA       LYS  34   5.396 -11.126  -2.243
  243    HB2  LYS  34           HB2      LYS  34   2.591 -10.751  -1.158
  244    HB3  LYS  34           HB3      LYS  34   3.024 -11.879  -2.441
  245    HG2  LYS  34           HG2      LYS  34   4.626 -12.934  -0.798
  246    HG3  LYS  34           HG3      LYS  34   3.847 -11.959   0.445
  247    HD2  LYS  34           HD2      LYS  34   1.711 -12.981  -0.027
  248    HD3  LYS  34           HD3      LYS  34   2.403 -13.882  -1.377
  249    HE2  LYS  34           HE2      LYS  34   2.183 -15.338   0.536
  250    HE3  LYS  34           HE3      LYS  34   3.888 -15.053   0.207
  251    HZ1  LYS  34           HZ1      LYS  34   3.900 -13.398   1.982
  252    HZ2  LYS  34           HZ2      LYS  34   3.439 -14.918   2.558
  253    HZ3  LYS  34           HZ3      LYS  34   2.273 -13.722   2.310
  254    H    ARG  35           H        ARG  35   2.299  -9.639  -2.477
  255    HA   ARG  35           HA       ARG  35   3.155  -8.081  -4.789
  256    HB2  ARG  35           HB2      ARG  35   0.940  -8.542  -5.775
  257    HB3  ARG  35           HB3      ARG  35   1.927  -9.981  -5.559
  258    HG2  ARG  35           HG2      ARG  35   0.688 -10.632  -3.638
  259    HG3  ARG  35           HG3      ARG  35  -0.214  -9.115  -3.655
  260    HD2  ARG  35           HD2      ARG  35  -0.224 -11.083  -5.918
  261    HD3  ARG  35           HD3      ARG  35  -1.419 -11.098  -4.622
  262    HE   ARG  35           HE       ARG  35  -1.274  -8.514  -5.762
  263   HH11  ARG  35          HH11      ARG  35  -2.393 -11.752  -6.503
  264   HH12  ARG  35          HH12      ARG  35  -3.659 -11.214  -7.556
  265   HH21  ARG  35          HH21      ARG  35  -2.946  -7.802  -7.143
  266   HH22  ARG  35          HH22      ARG  35  -3.975  -8.959  -7.927
  267    H    TRP  36           H        TRP  36   3.109  -7.105  -2.183
  268    HA   TRP  36           HA       TRP  36   0.534  -6.150  -1.434
  269    HB2  TRP  36           HB2      TRP  36   3.310  -5.849  -0.355
  270    HB3  TRP  36           HB3      TRP  36   2.018  -4.832   0.266
  271    HD1  TRP  36           HD1      TRP  36   2.067  -8.659  -0.485
  272    HE1  TRP  36           HE1      TRP  36   1.215  -9.867   1.600
  273    HE3  TRP  36           HE3      TRP  36   1.417  -4.614   2.545
  274    HZ2  TRP  36           HZ2      TRP  36   0.381  -9.182   4.227
  275    HZ3  TRP  36           HZ3      TRP  36   0.592  -4.976   4.807
  276    HH2  TRP  36           HH2      TRP  36   0.091  -7.203   5.641
  277    H    THR  37           H        THR  37  -0.418  -4.344  -1.836
  278    HA   THR  37           HA       THR  37   0.797  -2.447  -3.657
  279    HB   THR  37           HB       THR  37  -2.015  -2.738  -2.579
  280    HG1  THR  37           HG1      THR  37  -0.682  -3.530  -4.934
  281   HG21  THR  37          HG21      THR  37  -0.949  -0.810  -4.645
  282   HG22  THR  37          HG22      THR  37  -1.659  -0.402  -3.080
  283   HG23  THR  37          HG23      THR  37  -2.658  -1.117  -4.346
  284    H    CYS  38           H        CYS  38   1.179  -0.261  -3.154
  285    HA   CYS  38           HA       CYS  38   1.185   0.415  -0.330
  286    HB2  CYS  38           HB2      CYS  38   1.927   2.166  -2.682
  287    HB3  CYS  38           HB3      CYS  38   2.392   2.385  -0.997
  288    H    CYS  39           H        CYS  39  -0.632   1.190   0.568
  289    HA   CYS  39           HA       CYS  39  -2.639   2.292  -1.264
  290    HB2  CYS  39           HB2      CYS  39  -3.064   0.315   0.391
  291    HB3  CYS  39           HB3      CYS  39  -3.224   1.605   1.576
  292    H    LYS  40           H        LYS  40  -2.860   4.359  -1.335
  293    HA   LYS  40           HA       LYS  40  -1.935   6.084   0.779
  294    HB2  LYS  40           HB2      LYS  40  -1.853   6.564  -1.740
  295    HB3  LYS  40           HB3      LYS  40  -3.573   6.872  -1.627
  296    HG2  LYS  40           HG2      LYS  40  -1.646   8.341   0.124
  297    HG3  LYS  40           HG3      LYS  40  -1.927   8.849  -1.539
  298    HD2  LYS  40           HD2      LYS  40  -4.413   8.838  -0.925
  299    HD3  LYS  40           HD3      LYS  40  -3.867   8.763   0.752
  300    HE2  LYS  40           HE2      LYS  40  -4.304  11.065   0.057
  301    HE3  LYS  40           HE3      LYS  40  -2.601  10.823   0.441
  302    HZ1  LYS  40           HZ1      LYS  40  -3.127  12.110  -1.655
  303    HZ2  LYS  40           HZ2      LYS  40  -3.621  10.637  -2.336
  304    HZ3  LYS  40           HZ3      LYS  40  -2.024  10.839  -1.815
  305    H    GLU  41           H        GLU  41  -3.174   5.238   2.431
  306    HA   GLU  41           HA       GLU  41  -4.735   5.463   4.019
  307    HB2  GLU  41           HB2      GLU  41  -4.919   7.799   3.308
  308    HB3  GLU  41           HB3      GLU  41  -6.109   7.348   2.098
  309    HG2  GLU  41           HG2      GLU  41  -7.703   6.782   3.754
  310    HG3  GLU  41           HG3      GLU  41  -6.501   6.893   5.039
  311    H    ILE  42           H        ILE  42  -6.516   4.363   4.683
  312    HA   ILE  42           HA       ILE  42  -8.038   2.946   2.614
  313    HB   ILE  42           HB       ILE  42  -7.991   0.888   3.871
  314   HG12  ILE  42          HG12      ILE  42  -7.787   1.858   6.159
  315   HG13  ILE  42          HG13      ILE  42  -6.676   0.531   5.868
  316   HG21  ILE  42          HG21      ILE  42  -6.260   1.229   2.232
  317   HG22  ILE  42          HG22      ILE  42  -5.642   0.282   3.585
  318   HG23  ILE  42          HG23      ILE  42  -5.229   1.992   3.442
  319   HD11  ILE  42          HD11      ILE  42  -5.553   2.219   7.114
  320   HD12  ILE  42          HD12      ILE  42  -6.025   3.461   5.958
  321   HD13  ILE  42          HD13      ILE  42  -4.883   2.207   5.483
  Start of MODEL    4
    1    H1   ASP   1           H1       ASP   1  19.627  -4.252  -5.314
    2    H2   ASP   1           H2       ASP   1  18.269  -3.286  -5.590
    3    H3   ASP   1           H3       ASP   1  18.080  -4.852  -4.986
    4    HA   ASP   1           HA       ASP   1  19.418  -2.619  -3.589
    5    HB2  ASP   1           HB2      ASP   1  17.473  -2.747  -2.039
    6    HB3  ASP   1           HB3      ASP   1  17.027  -2.235  -3.664
    7    H    THR   2           H        THR   2  20.876  -3.295  -2.210
    8    HA   THR   2           HA       THR   2  20.988  -6.052  -1.352
    9    HB   THR   2           HB       THR   2  22.695  -3.769  -0.354
   10    HG1  THR   2           HG1      THR   2  22.608  -5.003  -2.845
   11   HG21  THR   2          HG21      THR   2  23.244  -6.726  -0.673
   12   HG22  THR   2          HG22      THR   2  22.894  -5.906   0.847
   13   HG23  THR   2          HG23      THR   2  24.371  -5.529  -0.037
   14    H    THR   3           H        THR   3  20.095  -2.951  -0.167
   15    HA   THR   3           HA       THR   3  18.783  -4.154   2.145
   16    HB   THR   3           HB       THR   3  20.950  -3.310   2.983
   17    HG1  THR   3           HG1      THR   3  19.727  -2.924   4.658
   18   HG21  THR   3          HG21      THR   3  20.016  -0.631   1.950
   19   HG22  THR   3          HG22      THR   3  21.363  -1.579   1.317
   20   HG23  THR   3          HG23      THR   3  21.445  -0.908   2.948
   21    H    SER   4           H        SER   4  17.081  -2.640   2.999
   22    HA   SER   4           HA       SER   4  15.688  -1.525   0.786
   23    HB2  SER   4           HB2      SER   4  15.016  -1.230   3.721
   24    HB3  SER   4           HB3      SER   4  13.918  -1.037   2.353
   25    HG   SER   4           HG       SER   4  14.893  -3.396   2.017
   26    H    ASP   5           H        ASP   5  16.791   0.144  -0.066
   27    HA   ASP   5           HA       ASP   5  16.616   2.662   1.406
   28    HB2  ASP   5           HB2      ASP   5  18.955   1.921   1.664
   29    HB3  ASP   5           HB3      ASP   5  19.095   1.742  -0.081
   30    H    PHE   6           H        PHE   6  15.033   3.468   0.185
   31    HA   PHE   6           HA       PHE   6  15.319   4.326  -2.455
   32    HB2  PHE   6           HB2      PHE   6  13.511   2.646  -3.379
   33    HB3  PHE   6           HB3      PHE   6  15.212   2.208  -3.402
   34    HD1  PHE   6           HD1      PHE   6  12.777   2.121  -0.568
   35    HD2  PHE   6           HD2      PHE   6  15.245  -0.088  -3.242
   36    HE1  PHE   6           HE1      PHE   6  12.274   0.057   0.672
   37    HE2  PHE   6           HE2      PHE   6  14.742  -2.152  -2.008
   38    HZ   PHE   6           HZ       PHE   6  13.257  -2.082  -0.046
   39    H    HIS   7           H        HIS   7  12.765   4.418  -3.381
   40    HA   HIS   7           HA       HIS   7  11.497   6.031  -1.343
   41    HB2  HIS   7           HB2      HIS   7  10.735   5.467  -4.210
   42    HB3  HIS   7           HB3      HIS   7   9.821   6.523  -3.143
   43    HD1  HIS   7           HD1      HIS   7  12.374   6.645  -5.632
   44    HD2  HIS   7           HD2      HIS   7  11.611   8.716  -2.114
   45    HE1  HIS   7           HE1      HIS   7  13.728   8.757  -5.781
   46    HE2  HIS   7           HE2      HIS   7  13.360   9.926  -3.580
   47    H    THR   8           H        THR   8  10.586   4.863   0.191
   48    HA   THR   8           HA       THR   8   9.398   2.324  -0.270
   49    HB   THR   8           HB       THR   8   8.632   2.776   2.220
   50    HG1  THR   8           HG1      THR   8  10.877   4.391   2.394
   51   HG21  THR   8          HG21      THR   8  11.527   2.423   1.424
   52   HG22  THR   8          HG22      THR   8  10.321   1.139   1.539
   53   HG23  THR   8          HG23      THR   8  10.830   2.004   2.990
   54    H    CYS   9           H        CYS   9   7.174   2.172   1.261
   55    HA   CYS   9           HA       CYS   9   5.257   3.483  -0.499
   56    HB2  CYS   9           HB2      CYS   9   4.923   1.318   1.591
   57    HB3  CYS   9           HB3      CYS   9   3.624   1.933   0.574
   58    H    GLN  10           H        GLN  10   5.213   2.728   2.983
   59    HA   GLN  10           HA       GLN  10   3.626   5.023   3.593
   60    HB2  GLN  10           HB2      GLN  10   4.348   4.397   5.993
   61    HB3  GLN  10           HB3      GLN  10   3.373   3.233   5.108
   62    HG2  GLN  10           HG2      GLN  10   5.444   2.041   4.495
   63    HG3  GLN  10           HG3      GLN  10   6.351   3.150   5.517
   64   HE21  GLN  10          HE21      GLN  10   6.055   0.265   5.680
   65   HE22  GLN  10          HE22      GLN  10   5.416  -0.070   7.246
   66    H    ASP  11           H        ASP  11   4.482   6.916   3.224
   67    HA   ASP  11           HA       ASP  11   6.526   8.258   4.371
   68    HB2  ASP  11           HB2      ASP  11   8.019   6.400   3.543
   69    HB3  ASP  11           HB3      ASP  11   7.618   6.882   1.900
   70    H    LYS  12           H        LYS  12   5.519   7.374   1.076
   71    HA   LYS  12           HA       LYS  12   5.345  10.245   0.407
   72    HB2  LYS  12           HB2      LYS  12   5.169   7.959  -1.531
   73    HB3  LYS  12           HB3      LYS  12   5.533   9.635  -1.881
   74    HG2  LYS  12           HG2      LYS  12   7.712   9.399  -0.810
   75    HG3  LYS  12           HG3      LYS  12   7.348   7.712  -0.433
   76    HD2  LYS  12           HD2      LYS  12   7.389   8.846  -3.224
   77    HD3  LYS  12           HD3      LYS  12   8.753   8.024  -2.470
   78    HE2  LYS  12           HE2      LYS  12   7.638   5.969  -2.424
   79    HE3  LYS  12           HE3      LYS  12   6.063   6.710  -2.664
   80    HZ1  LYS  12           HZ1      LYS  12   6.764   5.653  -4.673
   81    HZ2  LYS  12           HZ2      LYS  12   8.229   6.498  -4.677
   82    HZ3  LYS  12           HZ3      LYS  12   6.773   7.327  -4.912
   83    H    GLY  13           H        GLY  13   3.563   7.248   0.542
   84    HA2  GLY  13           HA2      GLY  13   1.163   8.667  -0.418
   85    HA3  GLY  13           HA3      GLY  13   1.541   7.034  -0.925
   86    H    GLY  14           H        GLY  14   1.495   5.377   0.600
   87    HA2  GLY  14           HA2      GLY  14   0.204   5.899   3.125
   88    HA3  GLY  14           HA3      GLY  14  -0.753   4.997   1.963
   89    H    HIS  15           H        HIS  15  -0.645   3.375   3.718
   90    HA   HIS  15           HA       HIS  15   1.954   2.149   4.156
   91    HB2  HIS  15           HB2      HIS  15   0.947   1.016   5.960
   92    HB3  HIS  15           HB3      HIS  15   0.167   2.591   5.960
   93    HD1  HIS  15           HD1      HIS  15  -0.662  -0.776   6.412
   94    HD2  HIS  15           HD2      HIS  15  -2.374   2.319   4.213
   95    HE1  HIS  15           HE1      HIS  15  -3.051  -1.457   6.051
   96    HE2  HIS  15           HE2      HIS  15  -4.111   0.513   4.902
   97    H    CYS  16           H        CYS  16   2.078  -0.241   4.101
   98    HA   CYS  16           HA       CYS  16   1.294  -1.156   1.494
   99    HB2  CYS  16           HB2      CYS  16   2.722  -2.599   3.737
  100    HB3  CYS  16           HB3      CYS  16   2.603  -3.147   2.066
  101    H    VAL  17           H        VAL  17  -0.382  -2.396   0.998
  102    HA   VAL  17           HA       VAL  17  -1.843  -3.687   3.207
  103    HB   VAL  17           HB       VAL  17  -3.908  -3.361   2.070
  104   HG11  VAL  17          HG11      VAL  17  -3.275  -1.470   3.370
  105   HG12  VAL  17          HG12      VAL  17  -4.025  -0.880   1.886
  106   HG13  VAL  17          HG13      VAL  17  -2.271  -0.842   2.065
  107   HG21  VAL  17          HG21      VAL  17  -3.177  -3.730  -0.218
  108   HG22  VAL  17          HG22      VAL  17  -2.340  -2.177  -0.217
  109   HG23  VAL  17          HG23      VAL  17  -4.099  -2.231  -0.099
  110    H    SER  18           H        SER  18  -2.530  -5.726   2.941
  111    HA   SER  18           HA       SER  18  -1.121  -7.349   1.092
  112    HB2  SER  18           HB2      SER  18  -2.214  -9.171   2.166
  113    HB3  SER  18           HB3      SER  18  -1.882  -7.993   3.417
  114    HG   SER  18           HG       SER  18  -4.140  -9.056   3.079
  115    HA   PRO  19           HA       PRO  19  -3.636  -7.168  -2.468
  116    HB2  PRO  19           HB2      PRO  19  -3.626  -9.775  -3.314
  117    HB3  PRO  19           HB3      PRO  19  -2.286  -8.643  -3.531
  118    HG2  PRO  19           HG2      PRO  19  -2.687 -10.715  -1.407
  119    HG3  PRO  19           HG3      PRO  19  -1.226 -10.330  -2.335
  120    HD2  PRO  19           HD2      PRO  19  -1.523  -9.436   0.156
  121    HD3  PRO  19           HD3      PRO  19  -0.795  -8.412  -1.100
  122    H    LYS  20           H        LYS  20  -5.125  -7.752   0.082
  123    HA   LYS  20           HA       LYS  20  -7.551  -8.768  -1.228
  124    HB2  LYS  20           HB2      LYS  20  -6.652 -10.500   0.311
  125    HB3  LYS  20           HB3      LYS  20  -6.732  -9.345   1.633
  126    HG2  LYS  20           HG2      LYS  20  -8.623 -10.772   1.800
  127    HG3  LYS  20           HG3      LYS  20  -9.195  -9.194   1.250
  128    HD2  LYS  20           HD2      LYS  20  -8.949 -10.190  -1.120
  129    HD3  LYS  20           HD3      LYS  20  -8.915 -11.749  -0.295
  130    HE2  LYS  20           HE2      LYS  20 -11.169 -11.325  -0.939
  131    HE3  LYS  20           HE3      LYS  20 -11.067 -11.111   0.808
  132    HZ1  LYS  20           HZ1      LYS  20 -10.897  -8.707   0.436
  133    HZ2  LYS  20           HZ2      LYS  20 -12.343  -9.340  -0.163
  134    HZ3  LYS  20           HZ3      LYS  20 -11.091  -8.949  -1.227
  135    H    ILE  21           H        ILE  21  -5.978  -6.281   0.264
  136    HA   ILE  21           HA       ILE  21  -8.196  -5.278   1.851
  137    HB   ILE  21           HB       ILE  21  -5.504  -4.020   1.319
  138   HG12  ILE  21          HG12      ILE  21  -5.222  -6.182   2.414
  139   HG13  ILE  21          HG13      ILE  21  -4.868  -4.880   3.544
  140   HG21  ILE  21          HG21      ILE  21  -5.962  -2.692   3.326
  141   HG22  ILE  21          HG22      ILE  21  -7.558  -3.435   3.447
  142   HG23  ILE  21          HG23      ILE  21  -7.165  -2.410   2.067
  143   HD11  ILE  21          HD11      ILE  21  -6.126  -6.632   4.627
  144   HD12  ILE  21          HD12      ILE  21  -7.404  -6.490   3.424
  145   HD13  ILE  21          HD13      ILE  21  -7.090  -5.159   4.536
  146    H    ARG  22           H        ARG  22  -9.349  -3.457   1.434
  147    HA   ARG  22           HA       ARG  22  -9.663  -2.682  -1.302
  148    HB2  ARG  22           HB2      ARG  22 -11.601  -2.891   0.138
  149    HB3  ARG  22           HB3      ARG  22 -10.943  -1.708   1.255
  150    HG2  ARG  22           HG2      ARG  22 -11.013  -0.105  -0.761
  151    HG3  ARG  22           HG3      ARG  22 -12.122  -1.292  -1.451
  152    HD2  ARG  22           HD2      ARG  22 -13.391   0.409  -0.301
  153    HD3  ARG  22           HD3      ARG  22 -13.522  -1.115   0.575
  154    HE   ARG  22           HE       ARG  22 -11.458   0.089   1.812
  155   HH11  ARG  22          HH11      ARG  22 -14.717   1.130   1.057
  156   HH12  ARG  22          HH12      ARG  22 -14.788   2.268   2.363
  157   HH21  ARG  22          HH21      ARG  22 -11.538   1.597   3.522
  158   HH22  ARG  22          HH22      ARG  22 -12.979   2.537   3.757
  159    H    CYS  23           H        CYS  23  -8.754  -1.003  -2.304
  160    HA   CYS  23           HA       CYS  23  -7.133   0.860  -0.737
  161    HB2  CYS  23           HB2      CYS  23  -7.202   0.327  -3.711
  162    HB3  CYS  23           HB3      CYS  23  -6.095   1.416  -2.895
  163    H    LEU  24           H        LEU  24  -7.665   2.948  -0.520
  164    HA   LEU  24           HA       LEU  24  -9.967   4.005  -1.925
  165    HB2  LEU  24           HB2      LEU  24  -8.310   4.827   0.375
  166    HB3  LEU  24           HB3      LEU  24  -8.937   6.138  -0.603
  167    HG   LEU  24           HG       LEU  24 -10.384   5.627   1.320
  168   HD11  LEU  24          HD11      LEU  24 -12.487   5.519   0.095
  169   HD12  LEU  24          HD12      LEU  24 -11.632   4.980  -1.347
  170   HD13  LEU  24          HD13      LEU  24 -11.345   6.596  -0.704
  171   HD21  LEU  24          HD21      LEU  24 -11.684   3.555   1.347
  172   HD22  LEU  24          HD22      LEU  24  -9.956   3.240   1.503
  173   HD23  LEU  24          HD23      LEU  24 -10.766   2.964  -0.039
  174    H    GLU  25           H        GLU  25  -6.491   4.721  -1.679
  175    HA   GLU  25           HA       GLU  25  -6.595   5.539  -4.485
  176    HB2  GLU  25           HB2      GLU  25  -6.673   7.611  -3.162
  177    HB3  GLU  25           HB3      GLU  25  -5.217   7.125  -2.311
  178    HG2  GLU  25           HG2      GLU  25  -4.629   8.729  -3.972
  179    HG3  GLU  25           HG3      GLU  25  -4.003   7.159  -4.467
  180    H    GLU  26           H        GLU  26  -5.271   4.140  -5.482
  181    HA   GLU  26           HA       GLU  26  -3.236   2.734  -4.057
  182    HB2  GLU  26           HB2      GLU  26  -3.902   2.856  -6.990
  183    HB3  GLU  26           HB3      GLU  26  -2.646   1.827  -6.319
  184    HG2  GLU  26           HG2      GLU  26  -4.288   0.660  -4.969
  185    HG3  GLU  26           HG3      GLU  26  -5.561   1.710  -5.584
  186    H    GLN  27           H        GLN  27  -1.050   2.895  -4.202
  187    HA   GLN  27           HA       GLN  27   0.088   5.250  -5.516
  188    HB2  GLN  27           HB2      GLN  27  -0.612   5.268  -2.848
  189    HB3  GLN  27           HB3      GLN  27   1.072   4.779  -2.783
  190    HG2  GLN  27           HG2      GLN  27   0.120   7.210  -4.253
  191    HG3  GLN  27           HG3      GLN  27   0.621   7.233  -2.571
  192   HE21  GLN  27          HE21      GLN  27   2.787   6.923  -2.056
  193   HE22  GLN  27          HE22      GLN  27   4.035   7.081  -3.247
  194    H    LEU  28           H        LEU  28   2.456   5.117  -5.647
  195    HA   LEU  28           HA       LEU  28   3.290   2.308  -5.758
  196    HB2  LEU  28           HB2      LEU  28   5.013   3.233  -7.428
  197    HB3  LEU  28           HB3      LEU  28   3.354   3.028  -7.945
  198    HG   LEU  28           HG       LEU  28   3.091   5.541  -7.378
  199   HD11  LEU  28          HD11      LEU  28   5.215   5.821  -6.207
  200   HD12  LEU  28          HD12      LEU  28   5.120   6.862  -7.628
  201   HD13  LEU  28          HD13      LEU  28   6.084   5.387  -7.679
  202   HD21  LEU  28          HD21      LEU  28   3.863   6.146  -9.615
  203   HD22  LEU  28          HD22      LEU  28   2.988   4.614  -9.619
  204   HD23  LEU  28          HD23      LEU  28   4.749   4.625  -9.719
  205    H    GLY  29           H        GLY  29   5.015   1.618  -4.731
  206    HA2  GLY  29           HA2      GLY  29   7.194   3.247  -3.924
  207    HA3  GLY  29           HA3      GLY  29   6.118   2.932  -2.567
  208    H    LEU  30           H        LEU  30   8.156   1.841  -1.802
  209    HA   LEU  30           HA       LEU  30   8.453  -0.830  -2.980
  210    HB2  LEU  30           HB2      LEU  30  10.296   0.915  -1.411
  211    HB3  LEU  30           HB3      LEU  30  10.519  -0.820  -1.373
  212    HG   LEU  30           HG       LEU  30  11.999   0.196  -3.001
  213   HD11  LEU  30          HD11      LEU  30  11.133  -2.041  -3.455
  214   HD12  LEU  30          HD12      LEU  30  11.438  -1.143  -4.942
  215   HD13  LEU  30          HD13      LEU  30   9.788  -1.338  -4.353
  216   HD21  LEU  30          HD21      LEU  30   9.535   1.136  -4.448
  217   HD22  LEU  30          HD22      LEU  30  11.215   1.400  -4.915
  218   HD23  LEU  30          HD23      LEU  30  10.569   2.167  -3.459
  219    H    CYS  31           H        CYS  31   6.971  -2.092  -2.038
  220    HA   CYS  31           HA       CYS  31   7.008  -2.298   0.895
  221    HB2  CYS  31           HB2      CYS  31   5.089  -3.453  -1.142
  222    HB3  CYS  31           HB3      CYS  31   5.002  -3.741   0.591
  223    HA   PRO  32           HA       PRO  32   9.169  -6.113  -0.002
  224    HB2  PRO  32           HB2      PRO  32  10.327  -6.442   2.358
  225    HB3  PRO  32           HB3      PRO  32  10.746  -5.034   1.374
  226    HG2  PRO  32           HG2      PRO  32   9.049  -5.202   3.814
  227    HG3  PRO  32           HG3      PRO  32  10.068  -3.864   3.248
  228    HD2  PRO  32           HD2      PRO  32   7.238  -4.216   2.879
  229    HD3  PRO  32           HD3      PRO  32   8.256  -2.898   2.259
  230    H    LEU  33           H        LEU  33   7.410  -7.526  -0.283
  231    HA   LEU  33           HA       LEU  33   7.062  -9.495   1.708
  232    HB2  LEU  33           HB2      LEU  33   4.824  -7.521   1.325
  233    HB3  LEU  33           HB3      LEU  33   4.481  -9.181   1.761
  234    HG   LEU  33           HG       LEU  33   6.143  -7.250   3.377
  235   HD11  LEU  33          HD11      LEU  33   4.322  -7.343   4.990
  236   HD12  LEU  33          HD12      LEU  33   3.387  -8.338   3.874
  237   HD13  LEU  33          HD13      LEU  33   3.795  -6.677   3.445
  238   HD21  LEU  33          HD21      LEU  33   6.984  -9.434   3.721
  239   HD22  LEU  33          HD22      LEU  33   5.356 -10.104   3.860
  240   HD23  LEU  33          HD23      LEU  33   5.981  -9.030   5.113
  241    H    LYS  34           H        LYS  34   4.358  -8.645  -0.323
  242    HA   LYS  34           HA       LYS  34   5.176 -10.618  -2.320
  243    HB2  LYS  34           HB2      LYS  34   2.484 -10.545  -0.953
  244    HB3  LYS  34           HB3      LYS  34   2.985 -11.685  -2.200
  245    HG2  LYS  34           HG2      LYS  34   4.746 -12.504  -0.631
  246    HG3  LYS  34           HG3      LYS  34   4.036 -11.476   0.612
  247    HD2  LYS  34           HD2      LYS  34   1.866 -12.660   0.227
  248    HD3  LYS  34           HD3      LYS  34   2.733 -13.785  -0.817
  249    HE2  LYS  34           HE2      LYS  34   3.285 -13.284   2.103
  250    HE3  LYS  34           HE3      LYS  34   2.460 -14.687   1.434
  251    HZ1  LYS  34           HZ1      LYS  34   4.520 -15.200   0.210
  252    HZ2  LYS  34           HZ2      LYS  34   4.721 -15.246   1.883
  253    HZ3  LYS  34           HZ3      LYS  34   5.297 -13.924   1.003
  254    H    ARG  35           H        ARG  35   1.978 -10.071  -2.713
  255    HA   ARG  35           HA       ARG  35   2.356  -8.124  -4.790
  256    HB2  ARG  35           HB2      ARG  35   0.992 -10.106  -5.213
  257    HB3  ARG  35           HB3      ARG  35  -0.080  -9.672  -3.887
  258    HG2  ARG  35           HG2      ARG  35  -0.679  -7.628  -5.071
  259    HG3  ARG  35           HG3      ARG  35   0.330  -8.130  -6.424
  260    HD2  ARG  35           HD2      ARG  35  -1.071  -9.997  -6.879
  261    HD3  ARG  35           HD3      ARG  35  -1.954  -9.778  -5.368
  262    HE   ARG  35           HE       ARG  35  -2.374  -7.441  -6.645
  263   HH11  ARG  35          HH11      ARG  35  -2.762 -10.780  -7.628
  264   HH12  ARG  35          HH12      ARG  35  -4.053 -10.439  -8.734
  265   HH21  ARG  35          HH21      ARG  35  -4.085  -6.986  -8.084
  266   HH22  ARG  35          HH22      ARG  35  -4.816  -8.274  -8.985
  267    H    TRP  36           H        TRP  36   2.788  -7.137  -2.169
  268    HA   TRP  36           HA       TRP  36   0.382  -5.989  -1.135
  269    HB2  TRP  36           HB2      TRP  36   3.272  -5.851  -0.362
  270    HB3  TRP  36           HB3      TRP  36   2.083  -4.800   0.402
  271    HD1  TRP  36           HD1      TRP  36   2.116  -8.617  -0.403
  272    HE1  TRP  36           HE1      TRP  36   1.305  -9.855   1.702
  273    HE3  TRP  36           HE3      TRP  36   1.396  -4.602   2.653
  274    HZ2  TRP  36           HZ2      TRP  36   0.464  -9.192   4.331
  275    HZ3  TRP  36           HZ3      TRP  36   0.585  -4.983   4.915
  276    HH2  TRP  36           HH2      TRP  36   0.133  -7.222   5.748
  277    H    THR  37           H        THR  37  -0.513  -4.170  -1.564
  278    HA   THR  37           HA       THR  37   0.663  -2.376  -3.529
  279    HB   THR  37           HB       THR  37  -2.090  -2.569  -2.295
  280    HG1  THR  37           HG1      THR  37  -1.138  -4.073  -4.034
  281   HG21  THR  37          HG21      THR  37  -1.062  -0.631  -4.368
  282   HG22  THR  37          HG22      THR  37  -1.772  -0.250  -2.792
  283   HG23  THR  37          HG23      THR  37  -2.774  -0.941  -4.073
  284    H    CYS  38           H        CYS  38   1.087  -0.169  -3.164
  285    HA   CYS  38           HA       CYS  38   1.270   0.634  -0.363
  286    HB2  CYS  38           HB2      CYS  38   2.011   2.242  -2.818
  287    HB3  CYS  38           HB3      CYS  38   2.593   2.460  -1.172
  288    H    CYS  39           H        CYS  39  -0.891   0.908   0.198
  289    HA   CYS  39           HA       CYS  39  -2.593   2.421  -1.587
  290    HB2  CYS  39           HB2      CYS  39  -2.988   0.697   0.795
  291    HB3  CYS  39           HB3      CYS  39  -4.258   1.826   0.356
  292    H    LYS  40           H        LYS  40  -2.755   4.510  -1.449
  293    HA   LYS  40           HA       LYS  40  -1.969   5.976   0.886
  294    HB2  LYS  40           HB2      LYS  40  -1.884   6.720  -1.625
  295    HB3  LYS  40           HB3      LYS  40  -3.564   7.162  -1.365
  296    HG2  LYS  40           HG2      LYS  40  -1.323   8.162   0.370
  297    HG3  LYS  40           HG3      LYS  40  -1.878   9.007  -1.075
  298    HD2  LYS  40           HD2      LYS  40  -3.957   9.487  -0.138
  299    HD3  LYS  40           HD3      LYS  40  -3.796   8.227   1.082
  300    HE2  LYS  40           HE2      LYS  40  -2.087  10.707   0.978
  301    HE3  LYS  40           HE3      LYS  40  -3.547  10.559   1.952
  302    HZ1  LYS  40           HZ1      LYS  40  -2.514   8.701   3.133
  303    HZ2  LYS  40           HZ2      LYS  40  -1.584  10.108   3.267
  304    HZ3  LYS  40           HZ3      LYS  40  -1.103   8.880   2.208
  305    H    GLU  41           H        GLU  41  -3.215   5.178   2.464
  306    HA   GLU  41           HA       GLU  41  -4.886   5.066   3.934
  307    HB2  GLU  41           HB2      GLU  41  -6.450   6.926   2.146
  308    HB3  GLU  41           HB3      GLU  41  -6.785   6.532   3.821
  309    HG2  GLU  41           HG2      GLU  41  -4.571   8.203   2.714
  310    HG3  GLU  41           HG3      GLU  41  -5.807   8.646   3.882
  311    H    ILE  42           H        ILE  42  -6.832   3.984   4.332
  312    HA   ILE  42           HA       ILE  42  -7.999   2.568   2.058
  313    HB   ILE  42           HB       ILE  42  -7.813   0.416   3.129
  314   HG12  ILE  42          HG12      ILE  42  -7.896   1.196   5.493
  315   HG13  ILE  42          HG13      ILE  42  -6.630   0.017   5.202
  316   HG21  ILE  42          HG21      ILE  42  -5.384   0.063   3.044
  317   HG22  ILE  42          HG22      ILE  42  -5.157   1.811   3.010
  318   HG23  ILE  42          HG23      ILE  42  -5.997   1.004   1.686
  319   HD11  ILE  42          HD11      ILE  42  -5.783   1.700   6.656
  320   HD12  ILE  42          HD12      ILE  42  -6.304   2.979   5.567
  321   HD13  ILE  42          HD13      ILE  42  -4.999   1.896   5.089
  Start of MODEL    5
    1    H1   ASP   1           H1       ASP   1  16.870  -4.437  -3.028
    2    H2   ASP   1           H2       ASP   1  17.603  -5.556  -4.057
    3    H3   ASP   1           H3       ASP   1  17.087  -4.065  -4.662
    4    HA   ASP   1           HA       ASP   1  19.474  -4.095  -4.385
    5    HB2  ASP   1           HB2      ASP   1  18.064  -2.000  -3.953
    6    HB3  ASP   1           HB3      ASP   1  18.269  -2.342  -2.236
    7    H    THR   2           H        THR   2  21.229  -3.831  -2.673
    8    HA   THR   2           HA       THR   2  21.215  -6.024  -0.877
    9    HB   THR   2           HB       THR   2  23.065  -3.635  -0.809
   10    HG1  THR   2           HG1      THR   2  22.742  -5.612  -2.695
   11   HG21  THR   2          HG21      THR   2  23.473  -6.515   0.015
   12   HG22  THR   2          HG22      THR   2  23.253  -5.150   1.110
   13   HG23  THR   2          HG23      THR   2  24.688  -5.238   0.087
   14    H    THR   3           H        THR   3  20.534  -2.635  -0.602
   15    HA   THR   3           HA       THR   3  19.594  -3.040   2.142
   16    HB   THR   3           HB       THR   3  21.831  -2.039   2.304
   17    HG1  THR   3           HG1      THR   3  20.208  -1.380   3.809
   18   HG21  THR   3          HG21      THR   3  20.679   0.198   0.637
   19   HG22  THR   3          HG22      THR   3  21.936  -0.938   0.140
   20   HG23  THR   3          HG23      THR   3  22.252   0.219   1.434
   21    H    SER   4           H        SER   4  17.897  -1.599   2.761
   22    HA   SER   4           HA       SER   4  16.252  -0.873   0.541
   23    HB2  SER   4           HB2      SER   4  15.774  -0.376   3.486
   24    HB3  SER   4           HB3      SER   4  14.565  -0.337   2.199
   25    HG   SER   4           HG       SER   4  15.830  -2.669   2.064
   26    H    ASP   5           H        ASP   5  17.138   0.806  -0.557
   27    HA   ASP   5           HA       ASP   5  16.859   3.412   0.752
   28    HB2  ASP   5           HB2      ASP   5  19.297   2.797   0.703
   29    HB3  ASP   5           HB3      ASP   5  19.189   2.720  -1.054
   30    H    PHE   6           H        PHE   6  15.066   3.997  -0.323
   31    HA   PHE   6           HA       PHE   6  15.045   4.683  -3.032
   32    HB2  PHE   6           HB2      PHE   6  13.268   2.847  -3.648
   33    HB3  PHE   6           HB3      PHE   6  14.981   2.485  -3.788
   34    HD1  PHE   6           HD1      PHE   6  15.215   0.239  -3.398
   35    HD2  PHE   6           HD2      PHE   6  12.744   2.518  -0.787
   36    HE1  PHE   6           HE1      PHE   6  14.938  -1.727  -1.950
   37    HE2  PHE   6           HE2      PHE   6  12.462   0.552   0.667
   38    HZ   PHE   6           HZ       PHE   6  13.560  -1.576   0.085
   39    H    HIS   7           H        HIS   7  12.450   4.580  -3.726
   40    HA   HIS   7           HA       HIS   7  11.227   6.254  -1.707
   41    HB2  HIS   7           HB2      HIS   7  10.396   5.471  -4.499
   42    HB3  HIS   7           HB3      HIS   7   9.363   6.409  -3.431
   43    HD1  HIS   7           HD1      HIS   7  11.795   6.845  -6.002
   44    HD2  HIS   7           HD2      HIS   7  10.817   8.859  -2.500
   45    HE1  HIS   7           HE1      HIS   7  12.800   9.138  -6.243
   46    HE2  HIS   7           HE2      HIS   7  12.184  10.351  -4.119
   47    H    THR   8           H        THR   8  10.557   5.081  -0.032
   48    HA   THR   8           HA       THR   8   9.403   2.516  -0.214
   49    HB   THR   8           HB       THR   8   8.703   3.051   2.206
   50    HG1  THR   8           HG1      THR   8   9.859   4.899   3.048
   51   HG21  THR   8          HG21      THR   8  11.013   2.820   3.012
   52   HG22  THR   8          HG22      THR   8  11.611   3.234   1.406
   53   HG23  THR   8          HG23      THR   8  10.693   1.748   1.648
   54    H    CYS   9           H        CYS   9   7.210   2.421   1.320
   55    HA   CYS   9           HA       CYS   9   5.236   3.599  -0.480
   56    HB2  CYS   9           HB2      CYS   9   5.026   1.430   1.634
   57    HB3  CYS   9           HB3      CYS   9   3.659   2.022   0.691
   58    H    GLN  10           H        GLN  10   5.285   2.917   3.010
   59    HA   GLN  10           HA       GLN  10   3.596   5.201   3.507
   60    HB2  GLN  10           HB2      GLN  10   4.011   4.490   5.942
   61    HB3  GLN  10           HB3      GLN  10   3.142   3.365   4.908
   62    HG2  GLN  10           HG2      GLN  10   5.380   2.246   4.503
   63    HG3  GLN  10           HG3      GLN  10   5.986   3.215   5.844
   64   HE21  GLN  10          HE21      GLN  10   5.736   0.340   5.562
   65   HE22  GLN  10          HE22      GLN  10   4.742  -0.193   6.870
   66    H    ASP  11           H        ASP  11   4.511   7.081   3.275
   67    HA   ASP  11           HA       ASP  11   6.228   8.450   4.773
   68    HB2  ASP  11           HB2      ASP  11   7.950   6.628   4.277
   69    HB3  ASP  11           HB3      ASP  11   7.951   7.195   2.612
   70    H    LYS  12           H        LYS  12   6.030   7.535   1.333
   71    HA   LYS  12           HA       LYS  12   5.752  10.344   0.580
   72    HB2  LYS  12           HB2      LYS  12   5.916   7.847  -1.119
   73    HB3  LYS  12           HB3      LYS  12   5.890   9.488  -1.736
   74    HG2  LYS  12           HG2      LYS  12   8.102   8.665  -1.829
   75    HG3  LYS  12           HG3      LYS  12   8.052   9.892  -0.570
   76    HD2  LYS  12           HD2      LYS  12   7.921   8.109   1.101
   77    HD3  LYS  12           HD3      LYS  12   7.993   6.898  -0.178
   78    HE2  LYS  12           HE2      LYS  12  10.179   7.114   0.755
   79    HE3  LYS  12           HE3      LYS  12  10.193   7.853  -0.845
   80    HZ1  LYS  12           HZ1      LYS  12  11.358   9.207   0.785
   81    HZ2  LYS  12           HZ2      LYS  12   9.955   9.321   1.731
   82    HZ3  LYS  12           HZ3      LYS  12  10.003  10.025   0.190
   83    H    GLY  13           H        GLY  13   3.992   7.328   0.686
   84    HA2  GLY  13           HA2      GLY  13   1.609   8.725  -0.347
   85    HA3  GLY  13           HA3      GLY  13   2.004   7.084  -0.809
   86    H    GLY  14           H        GLY  14   1.859   5.439   0.715
   87    HA2  GLY  14           HA2      GLY  14   0.512   5.956   3.198
   88    HA3  GLY  14           HA3      GLY  14  -0.505   5.225   1.974
   89    H    HIS  15           H        HIS  15  -0.686   3.501   3.531
   90    HA   HIS  15           HA       HIS  15   1.755   2.093   4.260
   91    HB2  HIS  15           HB2      HIS  15   0.474   1.022   5.937
   92    HB3  HIS  15           HB3      HIS  15  -0.123   2.669   5.903
   93    HD1  HIS  15           HD1      HIS  15  -1.400  -0.499   6.357
   94    HD2  HIS  15           HD2      HIS  15  -2.488   2.633   3.839
   95    HE1  HIS  15           HE1      HIS  15  -3.795  -0.927   5.735
   96    HE2  HIS  15           HE2      HIS  15  -4.472   1.068   4.364
   97    H    CYS  16           H        CYS  16   1.882  -0.218   4.110
   98    HA   CYS  16           HA       CYS  16   1.149  -1.107   1.476
   99    HB2  CYS  16           HB2      CYS  16   2.574  -2.574   3.708
  100    HB3  CYS  16           HB3      CYS  16   2.484  -3.085   2.024
  101    H    VAL  17           H        VAL  17  -0.484  -2.416   0.930
  102    HA   VAL  17           HA       VAL  17  -1.953  -3.741   3.110
  103    HB   VAL  17           HB       VAL  17  -4.038  -3.435   1.899
  104   HG11  VAL  17          HG11      VAL  17  -2.543  -0.842   2.263
  105   HG12  VAL  17          HG12      VAL  17  -3.443  -1.724   3.496
  106   HG13  VAL  17          HG13      VAL  17  -4.294  -1.002   2.132
  107   HG21  VAL  17          HG21      VAL  17  -2.426  -1.871  -0.118
  108   HG22  VAL  17          HG22      VAL  17  -4.187  -2.001  -0.089
  109   HG23  VAL  17          HG23      VAL  17  -3.200  -3.433  -0.387
  110    H    SER  18           H        SER  18  -2.593  -5.765   2.818
  111    HA   SER  18           HA       SER  18  -1.174  -7.335   0.933
  112    HB2  SER  18           HB2      SER  18  -2.203  -9.203   2.034
  113    HB3  SER  18           HB3      SER  18  -1.787  -8.031   3.265
  114    HG   SER  18           HG       SER  18  -3.884  -7.509   3.516
  115    HA   PRO  19           HA       PRO  19  -3.767  -7.351  -2.568
  116    HB2  PRO  19           HB2      PRO  19  -3.681  -9.987  -3.324
  117    HB3  PRO  19           HB3      PRO  19  -2.386  -8.819  -3.606
  118    HG2  PRO  19           HG2      PRO  19  -2.681 -10.820  -1.395
  119    HG3  PRO  19           HG3      PRO  19  -1.248 -10.431  -2.367
  120    HD2  PRO  19           HD2      PRO  19  -1.519  -9.442   0.089
  121    HD3  PRO  19           HD3      PRO  19  -0.866  -8.436  -1.221
  122    H    LYS  20           H        LYS  20  -5.199  -7.905   0.030
  123    HA   LYS  20           HA       LYS  20  -7.667  -8.792  -1.243
  124    HB2  LYS  20           HB2      LYS  20  -6.640 -10.789  -0.111
  125    HB3  LYS  20           HB3      LYS  20  -6.769  -9.928   1.415
  126    HG2  LYS  20           HG2      LYS  20  -8.583 -11.518   1.154
  127    HG3  LYS  20           HG3      LYS  20  -9.199  -9.865   1.184
  128    HD2  LYS  20           HD2      LYS  20  -9.353  -9.895  -1.268
  129    HD3  LYS  20           HD3      LYS  20  -8.762 -11.557  -1.278
  130    HE2  LYS  20           HE2      LYS  20 -10.705 -12.229   0.072
  131    HE3  LYS  20           HE3      LYS  20 -11.299 -10.572   0.020
  132    HZ1  LYS  20           HZ1      LYS  20 -10.938 -12.383  -2.306
  133    HZ2  LYS  20           HZ2      LYS  20 -11.421 -10.766  -2.407
  134    HZ3  LYS  20           HZ3      LYS  20 -12.409 -11.894  -1.628
  135    H    ILE  21           H        ILE  21  -6.223  -6.388  -0.023
  136    HA   ILE  21           HA       ILE  21  -8.241  -5.570   1.953
  137    HB   ILE  21           HB       ILE  21  -5.573  -4.310   1.293
  138   HG12  ILE  21          HG12      ILE  21  -5.327  -6.491   2.400
  139   HG13  ILE  21          HG13      ILE  21  -4.812  -5.175   3.448
  140   HG21  ILE  21          HG21      ILE  21  -7.517  -3.682   3.511
  141   HG22  ILE  21          HG22      ILE  21  -7.176  -2.672   2.107
  142   HG23  ILE  21          HG23      ILE  21  -5.920  -2.962   3.309
  143   HD11  ILE  21          HD11      ILE  21  -6.066  -6.845   4.677
  144   HD12  ILE  21          HD12      ILE  21  -7.443  -6.622   3.599
  145   HD13  ILE  21          HD13      ILE  21  -6.925  -5.305   4.651
  146    H    ARG  22           H        ARG  22  -9.520  -3.788   1.592
  147    HA   ARG  22           HA       ARG  22  -9.840  -2.781  -1.038
  148    HB2  ARG  22           HB2      ARG  22 -11.416  -1.213  -0.088
  149    HB3  ARG  22           HB3      ARG  22 -11.678  -2.813   0.593
  150    HG2  ARG  22           HG2      ARG  22 -10.570  -2.188   2.617
  151    HG3  ARG  22           HG3      ARG  22 -10.113  -0.629   1.939
  152    HD2  ARG  22           HD2      ARG  22 -12.955  -1.532   2.230
  153    HD3  ARG  22           HD3      ARG  22 -12.109  -0.610   3.473
  154    HE   ARG  22           HE       ARG  22 -11.933   0.662   0.935
  155   HH11  ARG  22          HH11      ARG  22 -14.079   0.170   3.660
  156   HH12  ARG  22          HH12      ARG  22 -15.005   1.604   3.348
  157   HH21  ARG  22          HH21      ARG  22 -13.168   2.528   0.509
  158   HH22  ARG  22          HH22      ARG  22 -14.494   2.940   1.554
  159    H    CYS  23           H        CYS  23  -9.086  -0.943  -1.964
  160    HA   CYS  23           HA       CYS  23  -7.284   0.731  -0.358
  161    HB2  CYS  23           HB2      CYS  23  -6.164  -0.825  -2.051
  162    HB3  CYS  23           HB3      CYS  23  -6.911   0.174  -3.296
  163    H    LEU  24           H        LEU  24  -7.672   2.862  -0.417
  164    HA   LEU  24           HA       LEU  24  -9.864   3.824  -2.022
  165    HB2  LEU  24           HB2      LEU  24  -8.198   4.945   0.173
  166    HB3  LEU  24           HB3      LEU  24  -8.988   6.075  -0.911
  167    HG   LEU  24           HG       LEU  24 -10.353   5.737   1.057
  168   HD11  LEU  24          HD11      LEU  24 -11.578   4.324  -1.302
  169   HD12  LEU  24          HD12      LEU  24 -11.474   6.071  -1.099
  170   HD13  LEU  24          HD13      LEU  24 -12.438   5.109   0.019
  171   HD21  LEU  24          HD21      LEU  24  -9.606   3.570   1.773
  172   HD22  LEU  24          HD22      LEU  24 -10.270   2.816   0.328
  173   HD23  LEU  24          HD23      LEU  24 -11.350   3.520   1.531
  174    H    GLU  25           H        GLU  25  -6.423   4.750  -1.660
  175    HA   GLU  25           HA       GLU  25  -6.479   5.338  -4.540
  176    HB2  GLU  25           HB2      GLU  25  -6.574   7.436  -3.156
  177    HB3  GLU  25           HB3      GLU  25  -4.995   7.009  -2.512
  178    HG2  GLU  25           HG2      GLU  25  -4.035   7.112  -4.737
  179    HG3  GLU  25           HG3      GLU  25  -5.620   7.478  -5.415
  180    H    GLU  26           H        GLU  26  -5.089   4.034  -5.533
  181    HA   GLU  26           HA       GLU  26  -3.081   2.643  -4.038
  182    HB2  GLU  26           HB2      GLU  26  -3.669   2.680  -6.993
  183    HB3  GLU  26           HB3      GLU  26  -2.452   1.661  -6.242
  184    HG2  GLU  26           HG2      GLU  26  -4.236   0.644  -4.852
  185    HG3  GLU  26           HG3      GLU  26  -5.419   1.579  -5.762
  186    H    GLN  27           H        GLN  27  -1.008   2.988  -3.908
  187    HA   GLN  27           HA       GLN  27   0.164   5.274  -5.342
  188    HB2  GLN  27           HB2      GLN  27  -0.444   5.165  -2.643
  189    HB3  GLN  27           HB3      GLN  27   1.245   4.692  -2.676
  190    HG2  GLN  27           HG2      GLN  27   0.188   7.198  -3.948
  191    HG3  GLN  27           HG3      GLN  27   0.826   7.116  -2.310
  192   HE21  GLN  27          HE21      GLN  27   3.040   6.694  -2.013
  193   HE22  GLN  27          HE22      GLN  27   4.183   6.951  -3.281
  194    H    LEU  28           H        LEU  28   2.449   5.066  -5.749
  195    HA   LEU  28           HA       LEU  28   3.307   2.283  -5.827
  196    HB2  LEU  28           HB2      LEU  28   4.657   2.806  -7.610
  197    HB3  LEU  28           HB3      LEU  28   3.291   3.854  -7.872
  198    HG   LEU  28           HG       LEU  28   5.807   4.822  -6.530
  199   HD11  LEU  28          HD11      LEU  28   6.497   5.676  -8.713
  200   HD12  LEU  28          HD12      LEU  28   5.135   4.848  -9.465
  201   HD13  LEU  28          HD13      LEU  28   6.419   3.915  -8.697
  202   HD21  LEU  28          HD21      LEU  28   3.852   6.239  -6.248
  203   HD22  LEU  28          HD22      LEU  28   3.576   6.234  -7.990
  204   HD23  LEU  28          HD23      LEU  28   5.017   7.006  -7.329
  205    H    GLY  29           H        GLY  29   5.057   1.547  -4.769
  206    HA2  GLY  29           HA2      GLY  29   7.097   3.221  -3.704
  207    HA3  GLY  29           HA3      GLY  29   5.953   2.750  -2.453
  208    H    LEU  30           H        LEU  30   8.037   1.775  -1.645
  209    HA   LEU  30           HA       LEU  30   8.464  -0.871  -2.841
  210    HB2  LEU  30           HB2      LEU  30  10.221   0.959  -1.279
  211    HB3  LEU  30           HB3      LEU  30  10.498  -0.762  -1.166
  212    HG   LEU  30           HG       LEU  30  11.987   0.209  -2.798
  213   HD11  LEU  30          HD11      LEU  30   9.826  -1.393  -4.150
  214   HD12  LEU  30          HD12      LEU  30  11.178  -2.046  -3.224
  215   HD13  LEU  30          HD13      LEU  30  11.477  -1.174  -4.728
  216   HD21  LEU  30          HD21      LEU  30  11.230   1.339  -4.773
  217   HD22  LEU  30          HD22      LEU  30  10.576   2.156  -3.349
  218   HD23  LEU  30          HD23      LEU  30   9.545   1.097  -4.312
  219    H    CYS  31           H        CYS  31   6.890  -2.070  -1.918
  220    HA   CYS  31           HA       CYS  31   6.944  -2.348   1.005
  221    HB2  CYS  31           HB2      CYS  31   4.993  -3.472  -1.021
  222    HB3  CYS  31           HB3      CYS  31   4.893  -3.689   0.721
  223    HA   PRO  32           HA       PRO  32   9.104  -6.126  -0.046
  224    HB2  PRO  32           HB2      PRO  32  10.301  -6.522   2.282
  225    HB3  PRO  32           HB3      PRO  32  10.688  -5.076   1.339
  226    HG2  PRO  32           HG2      PRO  32   9.008  -5.354   3.788
  227    HG3  PRO  32           HG3      PRO  32  10.037  -3.998   3.281
  228    HD2  PRO  32           HD2      PRO  32   7.210  -4.277   2.917
  229    HD3  PRO  32           HD3      PRO  32   8.252  -2.981   2.295
  230    H    LEU  33           H        LEU  33   7.384  -7.559  -0.356
  231    HA   LEU  33           HA       LEU  33   7.058  -9.612   1.541
  232    HB2  LEU  33           HB2      LEU  33   4.803  -7.633   1.295
  233    HB3  LEU  33           HB3      LEU  33   4.489  -9.310   1.680
  234    HG   LEU  33           HG       LEU  33   6.174  -7.423   3.324
  235   HD11  LEU  33          HD11      LEU  33   3.421  -8.523   3.819
  236   HD12  LEU  33          HD12      LEU  33   3.835  -6.847   3.457
  237   HD13  LEU  33          HD13      LEU  33   4.374  -7.583   4.967
  238   HD21  LEU  33          HD21      LEU  33   7.019  -9.629   3.568
  239   HD22  LEU  33          HD22      LEU  33   5.394 -10.294   3.744
  240   HD23  LEU  33          HD23      LEU  33   6.065  -9.254   5.003
  241    H    LYS  34           H        LYS  34   4.151  -9.010  -0.109
  242    HA   LYS  34           HA       LYS  34   5.009 -10.686  -2.370
  243    HB2  LYS  34           HB2      LYS  34   2.312 -10.648  -1.005
  244    HB3  LYS  34           HB3      LYS  34   2.764 -11.661  -2.367
  245    HG2  LYS  34           HG2      LYS  34   4.451 -12.764  -0.946
  246    HG3  LYS  34           HG3      LYS  34   3.889 -11.795   0.418
  247    HD2  LYS  34           HD2      LYS  34   1.659 -12.767   0.200
  248    HD3  LYS  34           HD3      LYS  34   2.201 -13.719  -1.182
  249    HE2  LYS  34           HE2      LYS  34   2.171 -15.089   0.812
  250    HE3  LYS  34           HE3      LYS  34   3.828 -14.857   0.258
  251    HZ1  LYS  34           HZ1      LYS  34   2.514 -13.416   2.494
  252    HZ2  LYS  34           HZ2      LYS  34   4.082 -13.120   1.939
  253    HZ3  LYS  34           HZ3      LYS  34   3.700 -14.612   2.633
  254    H    ARG  35           H        ARG  35   1.933 -10.186  -2.975
  255    HA   ARG  35           HA       ARG  35   2.341  -8.069  -4.851
  256    HB2  ARG  35           HB2      ARG  35  -0.037  -9.718  -4.073
  257    HB3  ARG  35           HB3      ARG  35  -0.174  -8.375  -5.192
  258    HG2  ARG  35           HG2      ARG  35   1.680  -9.521  -6.512
  259    HG3  ARG  35           HG3      ARG  35   1.327 -10.934  -5.511
  260    HD2  ARG  35           HD2      ARG  35   0.088 -10.975  -7.636
  261    HD3  ARG  35           HD3      ARG  35  -0.985 -10.905  -6.237
  262    HE   ARG  35           HE       ARG  35  -0.481  -8.277  -7.115
  263   HH11  ARG  35          HH11      ARG  35  -2.199 -11.179  -8.088
  264   HH12  ARG  35          HH12      ARG  35  -3.344 -10.322  -9.069
  265   HH21  ARG  35          HH21      ARG  35  -1.980  -7.156  -8.413
  266   HH22  ARG  35          HH22      ARG  35  -3.215  -8.030  -9.262
  267    H    TRP  36           H        TRP  36   2.747  -7.177  -2.211
  268    HA   TRP  36           HA       TRP  36   0.360  -6.016  -1.180
  269    HB2  TRP  36           HB2      TRP  36   3.262  -5.881  -0.438
  270    HB3  TRP  36           HB3      TRP  36   2.079  -4.832   0.343
  271    HD1  TRP  36           HD1      TRP  36   2.159  -8.652  -0.461
  272    HE1  TRP  36           HE1      TRP  36   1.338  -9.894   1.637
  273    HE3  TRP  36           HE3      TRP  36   1.343  -4.631   2.574
  274    HZ2  TRP  36           HZ2      TRP  36   0.461  -9.231   4.256
  275    HZ3  TRP  36           HZ3      TRP  36   0.518  -5.019   4.828
  276    HH2  TRP  36           HH2      TRP  36   0.088  -7.261   5.665
  277    H    THR  37           H        THR  37  -0.571  -4.293  -1.809
  278    HA   THR  37           HA       THR  37   0.688  -2.479  -3.682
  279    HB   THR  37           HB       THR  37  -2.125  -2.733  -2.594
  280    HG1  THR  37           HG1      THR  37  -0.776  -3.864  -4.641
  281   HG21  THR  37          HG21      THR  37  -1.676  -0.373  -3.095
  282   HG22  THR  37          HG22      THR  37  -2.826  -1.070  -4.235
  283   HG23  THR  37          HG23      THR  37  -1.147  -0.820  -4.718
  284    H    CYS  38           H        CYS  38   1.043  -0.222  -3.232
  285    HA   CYS  38           HA       CYS  38   1.193   0.405  -0.394
  286    HB2  CYS  38           HB2      CYS  38   1.939   2.158  -2.743
  287    HB3  CYS  38           HB3      CYS  38   2.465   2.328  -1.071
  288    H    CYS  39           H        CYS  39  -0.792   0.876   0.410
  289    HA   CYS  39           HA       CYS  39  -2.690   2.258  -1.300
  290    HB2  CYS  39           HB2      CYS  39  -3.189   0.271   0.328
  291    HB3  CYS  39           HB3      CYS  39  -3.268   1.550   1.534
  292    H    LYS  40           H        LYS  40  -2.734   4.358  -1.333
  293    HA   LYS  40           HA       LYS  40  -1.796   5.902   0.907
  294    HB2  LYS  40           HB2      LYS  40  -1.448   6.707  -1.407
  295    HB3  LYS  40           HB3      LYS  40  -3.191   6.868  -1.586
  296    HG2  LYS  40           HG2      LYS  40  -3.308   8.618  -0.045
  297    HG3  LYS  40           HG3      LYS  40  -1.707   8.264   0.608
  298    HD2  LYS  40           HD2      LYS  40  -0.690   8.955  -1.484
  299    HD3  LYS  40           HD3      LYS  40  -2.284   9.291  -2.163
  300    HE2  LYS  40           HE2      LYS  40  -1.025  10.666   0.208
  301    HE3  LYS  40           HE3      LYS  40  -1.208  11.344  -1.407
  302    HZ1  LYS  40           HZ1      LYS  40  -3.602  11.238  -1.152
  303    HZ2  LYS  40           HZ2      LYS  40  -2.920  12.136   0.105
  304    HZ3  LYS  40           HZ3      LYS  40  -3.447  10.552   0.391
  305    H    GLU  41           H        GLU  41  -3.028   5.402   2.559
  306    HA   GLU  41           HA       GLU  41  -4.646   5.693   4.072
  307    HB2  GLU  41           HB2      GLU  41  -5.953   7.410   1.961
  308    HB3  GLU  41           HB3      GLU  41  -6.438   7.300   3.645
  309    HG2  GLU  41           HG2      GLU  41  -4.625   8.472   4.403
  310    HG3  GLU  41           HG3      GLU  41  -3.632   8.026   3.018
  311    H    ILE  42           H        ILE  42  -6.693   4.917   4.682
  312    HA   ILE  42           HA       ILE  42  -8.020   3.193   2.714
  313    HB   ILE  42           HB       ILE  42  -8.249   1.511   4.642
  314   HG12  ILE  42          HG12      ILE  42  -5.915   3.178   5.606
  315   HG13  ILE  42          HG13      ILE  42  -7.434   2.905   6.447
  316   HG21  ILE  42          HG21      ILE  42  -6.986   1.054   2.637
  317   HG22  ILE  42          HG22      ILE  42  -6.119   0.437   4.044
  318   HG23  ILE  42          HG23      ILE  42  -5.600   1.938   3.277
  319   HD11  ILE  42          HD11      ILE  42  -5.265   0.892   5.921
  320   HD12  ILE  42          HD12      ILE  42  -6.827   0.515   6.651
  321   HD13  ILE  42          HD13      ILE  42  -5.709   1.607   7.469
  Start of MODEL    6
    1    H1   ASP   1           H1       ASP   1  20.863   3.891   1.501
    2    H2   ASP   1           H2       ASP   1  21.721   5.348   1.554
    3    H3   ASP   1           H3       ASP   1  20.626   5.058   0.296
    4    HA   ASP   1           HA       ASP   1  19.744   6.595   1.967
    5    HB2  ASP   1           HB2      ASP   1  18.398   4.804   0.575
    6    HB3  ASP   1           HB3      ASP   1  18.168   4.042   2.154
    7    H    THR   2           H        THR   2  21.735   4.445   3.299
    8    HA   THR   2           HA       THR   2  22.304   3.817   5.424
    9    HB   THR   2           HB       THR   2  19.924   5.382   6.446
   10    HG1  THR   2           HG1      THR   2  20.918   7.099   5.706
   11   HG21  THR   2          HG21      THR   2  22.605   4.711   7.683
   12   HG22  THR   2          HG22      THR   2  21.054   3.986   8.108
   13   HG23  THR   2          HG23      THR   2  21.348   5.693   8.437
   14    H    THR   3           H        THR   3  20.067   2.743   3.676
   15    HA   THR   3           HA       THR   3  19.106   0.575   5.150
   16    HB   THR   3           HB       THR   3  17.706   2.204   6.280
   17    HG1  THR   3           HG1      THR   3  16.270   0.675   6.225
   18   HG21  THR   3          HG21      THR   3  17.653   3.992   4.697
   19   HG22  THR   3          HG22      THR   3  15.992   3.485   5.031
   20   HG23  THR   3          HG23      THR   3  16.781   2.986   3.535
   21    H    SER   4           H        SER   4  17.020  -0.280   3.705
   22    HA   SER   4           HA       SER   4  18.019  -0.792   1.155
   23    HB2  SER   4           HB2      SER   4  15.121  -0.743   2.036
   24    HB3  SER   4           HB3      SER   4  15.754  -1.571   0.613
   25    HG   SER   4           HG       SER   4  17.213  -2.540   2.426
   26    H    ASP   5           H        ASP   5  18.664   0.866   0.016
   27    HA   ASP   5           HA       ASP   5  17.547   3.422  -0.008
   28    HB2  ASP   5           HB2      ASP   5  19.924   2.881  -0.498
   29    HB3  ASP   5           HB3      ASP   5  19.422   2.213  -2.045
   30    H    PHE   6           H        PHE   6  15.467   3.531  -0.587
   31    HA   PHE   6           HA       PHE   6  14.938   4.018  -3.278
   32    HB2  PHE   6           HB2      PHE   6  13.242   2.186  -3.646
   33    HB3  PHE   6           HB3      PHE   6  14.934   1.702  -3.658
   34    HD1  PHE   6           HD1      PHE   6  14.905  -0.514  -3.094
   35    HD2  PHE   6           HD2      PHE   6  12.700   2.237  -0.714
   36    HE1  PHE   6           HE1      PHE   6  14.458  -2.294  -1.462
   37    HE2  PHE   6           HE2      PHE   6  12.250   0.458   0.926
   38    HZ   PHE   6           HZ       PHE   6  13.135  -1.809   0.553
   39    H    HIS   7           H        HIS   7  12.369   4.129  -3.561
   40    HA   HIS   7           HA       HIS   7  11.537   5.772  -1.301
   41    HB2  HIS   7           HB2      HIS   7  10.340   5.487  -4.060
   42    HB3  HIS   7           HB3      HIS   7   9.731   6.560  -2.811
   43    HD1  HIS   7           HD1      HIS   7  11.660   6.783  -5.718
   44    HD2  HIS   7           HD2      HIS   7  12.125   8.239  -1.852
   45    HE1  HIS   7           HE1      HIS   7  13.289   8.689  -5.908
   46    HE2  HIS   7           HE2      HIS   7  13.422   9.660  -3.586
   47    H    THR   8           H        THR   8  10.544   4.759   0.250
   48    HA   THR   8           HA       THR   8   9.292   2.244  -0.097
   49    HB   THR   8           HB       THR   8   8.534   2.723   2.339
   50    HG1  THR   8           HG1      THR   8   9.639   4.418   3.331
   51   HG21  THR   8          HG21      THR   8  10.775   2.201   3.187
   52   HG22  THR   8          HG22      THR   8  11.467   2.636   1.625
   53   HG23  THR   8          HG23      THR   8  10.390   1.246   1.756
   54    H    CYS   9           H        CYS   9   7.047   2.209   1.399
   55    HA   CYS   9           HA       CYS   9   5.172   3.464  -0.444
   56    HB2  CYS   9           HB2      CYS   9   4.828   1.362   1.710
   57    HB3  CYS   9           HB3      CYS   9   3.515   1.967   0.699
   58    H    GLN  10           H        GLN  10   5.209   2.879   3.059
   59    HA   GLN  10           HA       GLN  10   3.542   5.164   3.540
   60    HB2  GLN  10           HB2      GLN  10   4.067   4.578   5.976
   61    HB3  GLN  10           HB3      GLN  10   3.194   3.377   5.037
   62    HG2  GLN  10           HG2      GLN  10   5.372   2.247   4.622
   63    HG3  GLN  10           HG3      GLN  10   6.104   3.357   5.776
   64   HE21  GLN  10          HE21      GLN  10   4.068   0.626   5.326
   65   HE22  GLN  10          HE22      GLN  10   3.911   0.199   6.989
   66    H    ASP  11           H        ASP  11   4.357   7.060   3.279
   67    HA   ASP  11           HA       ASP  11   6.308   8.408   4.584
   68    HB2  ASP  11           HB2      ASP  11   7.931   6.690   3.697
   69    HB3  ASP  11           HB3      ASP  11   7.536   7.219   2.063
   70    H    LYS  12           H        LYS  12   5.181   7.616   1.361
   71    HA   LYS  12           HA       LYS  12   5.015  10.491   0.724
   72    HB2  LYS  12           HB2      LYS  12   5.248   8.282  -1.303
   73    HB3  LYS  12           HB3      LYS  12   5.579   9.995  -1.522
   74    HG2  LYS  12           HG2      LYS  12   7.451   9.657   0.185
   75    HG3  LYS  12           HG3      LYS  12   7.213   7.930  -0.092
   76    HD2  LYS  12           HD2      LYS  12   7.776   8.126  -2.379
   77    HD3  LYS  12           HD3      LYS  12   7.760   9.896  -2.295
   78    HE2  LYS  12           HE2      LYS  12   9.704   7.993  -1.013
   79    HE3  LYS  12           HE3      LYS  12  10.038   9.226  -2.227
   80    HZ1  LYS  12           HZ1      LYS  12  10.756  10.035  -0.118
   81    HZ2  LYS  12           HZ2      LYS  12   9.276   9.667   0.615
   82    HZ3  LYS  12           HZ3      LYS  12   9.371  10.906  -0.540
   83    H    GLY  13           H        GLY  13   3.412   7.403   0.654
   84    HA2  GLY  13           HA2      GLY  13   1.001   8.726  -0.398
   85    HA3  GLY  13           HA3      GLY  13   1.450   7.103  -0.876
   86    H    GLY  14           H        GLY  14   1.682   5.555   0.926
   87    HA2  GLY  14           HA2      GLY  14   0.293   5.980   3.350
   88    HA3  GLY  14           HA3      GLY  14  -0.749   5.197   2.174
   89    H    HIS  15           H        HIS  15  -0.764   3.461   3.762
   90    HA   HIS  15           HA       HIS  15   1.734   2.125   4.357
   91    HB2  HIS  15           HB2      HIS  15   0.480   0.890   5.969
   92    HB3  HIS  15           HB3      HIS  15  -0.155   2.524   6.034
   93    HD1  HIS  15           HD1      HIS  15  -1.419  -0.637   6.373
   94    HD2  HIS  15           HD2      HIS  15  -2.453   2.514   3.856
   95    HE1  HIS  15           HE1      HIS  15  -3.804  -1.053   5.705
   96    HE2  HIS  15           HE2      HIS  15  -4.440   0.927   4.298
   97    H    CYS  16           H        CYS  16   1.881  -0.217   4.152
   98    HA   CYS  16           HA       CYS  16   1.222  -1.039   1.480
   99    HB2  CYS  16           HB2      CYS  16   2.599  -2.526   3.727
  100    HB3  CYS  16           HB3      CYS  16   2.549  -3.029   2.038
  101    H    VAL  17           H        VAL  17  -0.377  -2.370   0.862
  102    HA   VAL  17           HA       VAL  17  -1.933  -3.669   2.998
  103    HB   VAL  17           HB       VAL  17  -3.949  -3.415   1.638
  104   HG11  VAL  17          HG11      VAL  17  -3.494  -1.737   3.306
  105   HG12  VAL  17          HG12      VAL  17  -4.243  -0.985   1.898
  106   HG13  VAL  17          HG13      VAL  17  -2.507  -0.822   2.166
  107   HG21  VAL  17          HG21      VAL  17  -3.967  -1.925  -0.322
  108   HG22  VAL  17          HG22      VAL  17  -2.973  -3.357  -0.585
  109   HG23  VAL  17          HG23      VAL  17  -2.211  -1.806  -0.232
  110    H    SER  18           H        SER  18  -2.490  -5.691   2.794
  111    HA   SER  18           HA       SER  18  -1.120  -7.343   0.944
  112    HB2  SER  18           HB2      SER  18  -2.239  -9.169   2.083
  113    HB3  SER  18           HB3      SER  18  -1.649  -8.021   3.269
  114    HG   SER  18           HG       SER  18  -3.607  -7.857   3.956
  115    HA   PRO  19           HA       PRO  19  -3.707  -7.501  -2.547
  116    HB2  PRO  19           HB2      PRO  19  -3.899 -10.213  -3.012
  117    HB3  PRO  19           HB3      PRO  19  -2.537  -9.191  -3.476
  118    HG2  PRO  19           HG2      PRO  19  -2.863 -10.927  -1.058
  119    HG3  PRO  19           HG3      PRO  19  -1.451 -10.730  -2.114
  120    HD2  PRO  19           HD2      PRO  19  -1.543  -9.505   0.237
  121    HD3  PRO  19           HD3      PRO  19  -0.893  -8.663  -1.186
  122    H    LYS  20           H        LYS  20  -5.163  -7.875   0.190
  123    HA   LYS  20           HA       LYS  20  -7.732  -8.408  -1.039
  124    HB2  LYS  20           HB2      LYS  20  -6.876 -10.628  -0.146
  125    HB3  LYS  20           HB3      LYS  20  -6.977  -9.926   1.463
  126    HG2  LYS  20           HG2      LYS  20  -9.392  -9.531   1.093
  127    HG3  LYS  20           HG3      LYS  20  -9.254 -10.363  -0.458
  128    HD2  LYS  20           HD2      LYS  20  -8.492 -12.382   0.717
  129    HD3  LYS  20           HD3      LYS  20  -8.677 -11.543   2.259
  130    HE2  LYS  20           HE2      LYS  20 -10.878 -12.105   0.276
  131    HE3  LYS  20           HE3      LYS  20 -10.599 -12.980   1.779
  132    HZ1  LYS  20           HZ1      LYS  20 -11.226 -10.078   1.603
  133    HZ2  LYS  20           HZ2      LYS  20 -11.062 -10.987   3.021
  134    HZ3  LYS  20           HZ3      LYS  20 -12.348 -11.288   1.967
  135    H    ILE  21           H        ILE  21  -6.635  -6.031  -0.188
  136    HA   ILE  21           HA       ILE  21  -8.180  -5.418   2.256
  137    HB   ILE  21           HB       ILE  21  -5.653  -4.074   1.282
  138   HG12  ILE  21          HG12      ILE  21  -5.273  -6.327   2.225
  139   HG13  ILE  21          HG13      ILE  21  -4.555  -5.059   3.208
  140   HG21  ILE  21          HG21      ILE  21  -5.696  -2.842   3.397
  141   HG22  ILE  21          HG22      ILE  21  -7.243  -3.588   3.796
  142   HG23  ILE  21          HG23      ILE  21  -7.121  -2.498   2.415
  143   HD11  ILE  21          HD11      ILE  21  -7.127  -6.512   3.777
  144   HD12  ILE  21          HD12      ILE  21  -6.451  -5.212   4.757
  145   HD13  ILE  21          HD13      ILE  21  -5.585  -6.741   4.600
  146    H    ARG  22           H        ARG  22  -9.303  -3.434   2.302
  147    HA   ARG  22           HA       ARG  22 -10.260  -2.389  -0.162
  148    HB2  ARG  22           HB2      ARG  22 -11.664  -2.308   1.804
  149    HB3  ARG  22           HB3      ARG  22 -10.457  -1.381   2.682
  150    HG2  ARG  22           HG2      ARG  22 -10.771   0.425   0.941
  151    HG3  ARG  22           HG3      ARG  22 -12.185  -0.480   0.400
  152    HD2  ARG  22           HD2      ARG  22 -12.919   1.209   1.925
  153    HD3  ARG  22           HD3      ARG  22 -13.074  -0.352   2.719
  154    HE   ARG  22           HE       ARG  22 -10.944   1.616   3.265
  155   HH11  ARG  22          HH11      ARG  22 -12.963  -1.066   4.279
  156   HH12  ARG  22          HH12      ARG  22 -12.444  -0.991   5.929
  157   HH21  ARG  22          HH21      ARG  22 -10.283   1.737   5.419
  158   HH22  ARG  22          HH22      ARG  22 -10.906   0.604   6.584
  159    H    CYS  23           H        CYS  23  -8.841  -1.314  -1.472
  160    HA   CYS  23           HA       CYS  23  -7.075   0.659  -0.228
  161    HB2  CYS  23           HB2      CYS  23  -6.324  -1.076  -2.032
  162    HB3  CYS  23           HB3      CYS  23  -7.090   0.041  -3.160
  163    H    LEU  24           H        LEU  24  -7.419   2.786  -0.399
  164    HA   LEU  24           HA       LEU  24  -9.773   3.695  -1.828
  165    HB2  LEU  24           HB2      LEU  24  -8.071   4.740   0.314
  166    HB3  LEU  24           HB3      LEU  24  -8.591   5.955  -0.838
  167    HG   LEU  24           HG       LEU  24 -10.940   5.327  -0.431
  168   HD11  LEU  24          HD11      LEU  24  -9.809   3.518   1.697
  169   HD12  LEU  24          HD12      LEU  24 -10.590   2.993   0.207
  170   HD13  LEU  24          HD13      LEU  24 -11.515   3.868   1.427
  171   HD21  LEU  24          HD21      LEU  24  -9.930   7.146   0.821
  172   HD22  LEU  24          HD22      LEU  24  -9.373   6.008   2.049
  173   HD23  LEU  24          HD23      LEU  24 -11.099   6.275   1.813
  174    H    GLU  25           H        GLU  25  -6.344   4.686  -1.716
  175    HA   GLU  25           HA       GLU  25  -6.539   5.085  -4.620
  176    HB2  GLU  25           HB2      GLU  25  -6.663   7.286  -3.506
  177    HB3  GLU  25           HB3      GLU  25  -5.139   6.951  -2.697
  178    HG2  GLU  25           HG2      GLU  25  -4.023   6.826  -4.877
  179    HG3  GLU  25           HG3      GLU  25  -5.552   7.205  -5.667
  180    H    GLU  26           H        GLU  26  -5.075   3.919  -5.644
  181    HA   GLU  26           HA       GLU  26  -3.068   2.501  -4.208
  182    HB2  GLU  26           HB2      GLU  26  -3.534   2.796  -7.175
  183    HB3  GLU  26           HB3      GLU  26  -2.333   1.731  -6.460
  184    HG2  GLU  26           HG2      GLU  26  -4.109   0.513  -5.302
  185    HG3  GLU  26           HG3      GLU  26  -5.308   1.567  -6.043
  186    H    GLN  27           H        GLN  27  -0.931   2.776  -4.130
  187    HA   GLN  27           HA       GLN  27   0.210   5.225  -5.270
  188    HB2  GLN  27           HB2      GLN  27   0.067   6.058  -3.178
  189    HB3  GLN  27           HB3      GLN  27  -0.194   4.483  -2.456
  190    HG2  GLN  27           HG2      GLN  27   1.769   5.153  -1.488
  191    HG3  GLN  27           HG3      GLN  27   2.345   4.176  -2.831
  192   HE21  GLN  27          HE21      GLN  27   3.716   6.241  -1.391
  193   HE22  GLN  27          HE22      GLN  27   4.154   7.438  -2.558
  194    H    LEU  28           H        LEU  28   2.482   5.162  -5.544
  195    HA   LEU  28           HA       LEU  28   3.482   2.458  -5.979
  196    HB2  LEU  28           HB2      LEU  28   4.879   3.326  -7.640
  197    HB3  LEU  28           HB3      LEU  28   3.352   4.134  -7.870
  198    HG   LEU  28           HG       LEU  28   5.687   5.395  -6.429
  199   HD11  LEU  28          HD11      LEU  28   4.880   5.675  -9.318
  200   HD12  LEU  28          HD12      LEU  28   6.322   4.854  -8.720
  201   HD13  LEU  28          HD13      LEU  28   6.142   6.595  -8.498
  202   HD21  LEU  28          HD21      LEU  28   3.160   6.543  -7.619
  203   HD22  LEU  28          HD22      LEU  28   4.494   7.490  -6.959
  204   HD23  LEU  28          HD23      LEU  28   3.563   6.430  -5.905
  205    H    GLY  29           H        GLY  29   5.035   1.665  -4.739
  206    HA2  GLY  29           HA2      GLY  29   7.218   3.192  -3.786
  207    HA3  GLY  29           HA3      GLY  29   6.073   2.915  -2.479
  208    H    LEU  30           H        LEU  30   8.021   1.752  -1.624
  209    HA   LEU  30           HA       LEU  30   8.329  -0.908  -2.820
  210    HB2  LEU  30           HB2      LEU  30  10.159   0.850  -1.267
  211    HB3  LEU  30           HB3      LEU  30  10.380  -0.880  -1.152
  212    HG   LEU  30           HG       LEU  30  11.879   0.033  -2.807
  213   HD11  LEU  30          HD11      LEU  30  11.309  -1.331  -4.720
  214   HD12  LEU  30          HD12      LEU  30   9.642  -1.455  -4.165
  215   HD13  LEU  30          HD13      LEU  30  10.940  -2.191  -3.226
  216   HD21  LEU  30          HD21      LEU  30  11.147   1.219  -4.750
  217   HD22  LEU  30          HD22      LEU  30  10.508   2.033  -3.314
  218   HD23  LEU  30          HD23      LEU  30   9.454   1.011  -4.294
  219    H    CYS  31           H        CYS  31   6.712  -2.067  -1.905
  220    HA   CYS  31           HA       CYS  31   6.797  -2.384   1.016
  221    HB2  CYS  31           HB2      CYS  31   4.795  -3.489  -0.966
  222    HB3  CYS  31           HB3      CYS  31   4.704  -3.623   0.784
  223    HA   PRO  32           HA       PRO  32   9.004  -6.079  -0.180
  224    HB2  PRO  32           HB2      PRO  32  10.245  -6.550   2.114
  225    HB3  PRO  32           HB3      PRO  32  10.605  -5.071   1.214
  226    HG2  PRO  32           HG2      PRO  32   8.922  -5.450   3.653
  227    HG3  PRO  32           HG3      PRO  32   9.996  -4.098   3.232
  228    HD2  PRO  32           HD2      PRO  32   7.191  -4.220   2.869
  229    HD3  PRO  32           HD3      PRO  32   8.282  -2.991   2.205
  230    H    LEU  33           H        LEU  33   7.314  -7.532  -0.525
  231    HA   LEU  33           HA       LEU  33   7.148  -9.657   1.336
  232    HB2  LEU  33           HB2      LEU  33   4.775  -7.836   1.095
  233    HB3  LEU  33           HB3      LEU  33   4.542  -9.546   1.386
  234    HG   LEU  33           HG       LEU  33   6.069  -7.642   3.162
  235   HD11  LEU  33          HD11      LEU  33   3.674  -7.299   3.285
  236   HD12  LEU  33          HD12      LEU  33   4.284  -8.038   4.765
  237   HD13  LEU  33          HD13      LEU  33   3.429  -9.021   3.576
  238   HD21  LEU  33          HD21      LEU  33   6.034  -9.613   4.725
  239   HD22  LEU  33          HD22      LEU  33   7.123  -9.728   3.344
  240   HD23  LEU  33          HD23      LEU  33   5.582 -10.596   3.329
  241    H    LYS  34           H        LYS  34   4.287  -9.129  -0.521
  242    HA   LYS  34           HA       LYS  34   5.344 -10.954  -2.570
  243    HB2  LYS  34           HB2      LYS  34   2.530 -10.804  -1.460
  244    HB3  LYS  34           HB3      LYS  34   3.035 -11.839  -2.794
  245    HG2  LYS  34           HG2      LYS  34   4.679 -12.900  -1.223
  246    HG3  LYS  34           HG3      LYS  34   3.909 -11.995   0.078
  247    HD2  LYS  34           HD2      LYS  34   2.782 -13.995   0.205
  248    HD3  LYS  34           HD3      LYS  34   1.722 -13.079  -0.862
  249    HE2  LYS  34           HE2      LYS  34   3.844 -15.008  -1.797
  250    HE3  LYS  34           HE3      LYS  34   2.141 -15.413  -1.611
  251    HZ1  LYS  34           HZ1      LYS  34   3.329 -13.474  -3.514
  252    HZ2  LYS  34           HZ2      LYS  34   1.669 -13.610  -3.241
  253    HZ3  LYS  34           HZ3      LYS  34   2.529 -14.918  -3.879
  254    H    ARG  35           H        ARG  35   2.187  -9.562  -2.649
  255    HA   ARG  35           HA       ARG  35   2.946  -7.919  -4.936
  256    HB2  ARG  35           HB2      ARG  35   0.712  -8.376  -5.871
  257    HB3  ARG  35           HB3      ARG  35   1.705  -9.817  -5.710
  258    HG2  ARG  35           HG2      ARG  35   0.512 -10.515  -3.779
  259    HG3  ARG  35           HG3      ARG  35  -0.389  -8.999  -3.731
  260    HD2  ARG  35           HD2      ARG  35  -0.460 -10.897  -6.052
  261    HD3  ARG  35           HD3      ARG  35  -1.618 -10.958  -4.723
  262    HE   ARG  35           HE       ARG  35  -1.420  -8.353  -5.918
  263   HH11  ARG  35          HH11      ARG  35  -2.911 -11.512  -6.206
  264   HH12  ARG  35          HH12      ARG  35  -4.277 -10.928  -7.100
  265   HH21  ARG  35          HH21      ARG  35  -3.207  -7.582  -7.107
  266   HH22  ARG  35          HH22      ARG  35  -4.448  -8.686  -7.608
  267    H    TRP  36           H        TRP  36   2.987  -7.034  -2.315
  268    HA   TRP  36           HA       TRP  36   0.459  -6.049  -1.456
  269    HB2  TRP  36           HB2      TRP  36   3.284  -5.796  -0.488
  270    HB3  TRP  36           HB3      TRP  36   2.025  -4.772   0.197
  271    HD1  TRP  36           HD1      TRP  36   2.106  -8.594  -0.587
  272    HE1  TRP  36           HE1      TRP  36   1.280  -9.833   1.489
  273    HE3  TRP  36           HE3      TRP  36   1.362  -4.579   2.466
  274    HZ2  TRP  36           HZ2      TRP  36   0.420  -9.178   4.117
  275    HZ3  TRP  36           HZ3      TRP  36   0.534  -4.971   4.721
  276    HH2  TRP  36           HH2      TRP  36   0.075  -7.215   5.538
  277    H    THR  37           H        THR  37  -0.489  -4.245  -1.897
  278    HA   THR  37           HA       THR  37   0.760  -2.379  -3.727
  279    HB   THR  37           HB       THR  37  -2.062  -2.720  -2.704
  280    HG1  THR  37           HG1      THR  37  -0.683  -3.300  -5.102
  281   HG21  THR  37          HG21      THR  37  -1.080  -0.686  -4.714
  282   HG22  THR  37          HG22      THR  37  -1.667  -0.328  -3.089
  283   HG23  THR  37          HG23      THR  37  -2.766  -1.001  -4.294
  284    H    CYS  38           H        CYS  38   1.222  -0.218  -3.233
  285    HA   CYS  38           HA       CYS  38   1.250   0.468  -0.422
  286    HB2  CYS  38           HB2      CYS  38   1.934   2.227  -2.785
  287    HB3  CYS  38           HB3      CYS  38   2.447   2.433  -1.113
  288    H    CYS  39           H        CYS  39  -0.622   1.150   0.478
  289    HA   CYS  39           HA       CYS  39  -2.608   2.286  -1.343
  290    HB2  CYS  39           HB2      CYS  39  -3.018   0.337   0.368
  291    HB3  CYS  39           HB3      CYS  39  -3.214   1.671   1.499
  292    H    LYS  40           H        LYS  40  -2.709   4.356  -1.476
  293    HA   LYS  40           HA       LYS  40  -1.747   6.113   0.576
  294    HB2  LYS  40           HB2      LYS  40  -1.669   6.621  -1.884
  295    HB3  LYS  40           HB3      LYS  40  -3.416   6.785  -1.859
  296    HG2  LYS  40           HG2      LYS  40  -1.728   8.439  -0.032
  297    HG3  LYS  40           HG3      LYS  40  -1.907   8.889  -1.727
  298    HD2  LYS  40           HD2      LYS  40  -4.368   8.892  -1.417
  299    HD3  LYS  40           HD3      LYS  40  -4.122   8.550   0.297
  300    HE2  LYS  40           HE2      LYS  40  -2.839  10.634   0.507
  301    HE3  LYS  40           HE3      LYS  40  -3.141  10.979  -1.195
  302    HZ1  LYS  40           HZ1      LYS  40  -4.674  12.170   0.223
  303    HZ2  LYS  40           HZ2      LYS  40  -5.209  10.723   0.924
  304    HZ3  LYS  40           HZ3      LYS  40  -5.512  11.037  -0.715
  305    H    GLU  41           H        GLU  41  -2.874   5.565   2.347
  306    HA   GLU  41           HA       GLU  41  -4.445   5.649   3.933
  307    HB2  GLU  41           HB2      GLU  41  -5.915   7.455   2.018
  308    HB3  GLU  41           HB3      GLU  41  -6.307   7.215   3.713
  309    HG2  GLU  41           HG2      GLU  41  -4.067   8.079   4.310
  310    HG3  GLU  41           HG3      GLU  41  -3.791   8.430   2.605
  311    H    ILE  42           H        ILE  42  -6.667   5.014   4.495
  312    HA   ILE  42           HA       ILE  42  -7.935   3.278   2.514
  313    HB   ILE  42           HB       ILE  42  -8.185   1.525   4.356
  314   HG12  ILE  42          HG12      ILE  42  -5.847   3.102   5.469
  315   HG13  ILE  42          HG13      ILE  42  -7.421   2.904   6.228
  316   HG21  ILE  42          HG21      ILE  42  -5.462   1.996   3.149
  317   HG22  ILE  42          HG22      ILE  42  -6.823   1.187   2.373
  318   HG23  ILE  42          HG23      ILE  42  -6.057   0.463   3.787
  319   HD11  ILE  42          HD11      ILE  42  -5.331   0.790   5.780
  320   HD12  ILE  42          HD12      ILE  42  -6.955   0.471   6.397
  321   HD13  ILE  42          HD13      ILE  42  -5.844   1.487   7.316
  Start of MODEL    7
    1    H1   ASP   1           H1       ASP   1  16.231  -6.046  -7.456
    2    H2   ASP   1           H2       ASP   1  14.594  -6.052  -7.040
    3    H3   ASP   1           H3       ASP   1  15.717  -6.834  -6.052
    4    HA   ASP   1           HA       ASP   1  15.542  -3.923  -6.551
    5    HB2  ASP   1           HB2      ASP   1  15.033  -5.511  -4.021
    6    HB3  ASP   1           HB3      ASP   1  14.932  -3.761  -4.184
    7    H    THR   2           H        THR   2  17.444  -6.613  -5.588
    8    HA   THR   2           HA       THR   2  19.645  -6.815  -5.121
    9    HB   THR   2           HB       THR   2  19.860  -3.812  -5.320
   10    HG1  THR   2           HG1      THR   2  20.867  -5.004  -7.460
   11   HG21  THR   2          HG21      THR   2  22.230  -4.265  -5.781
   12   HG22  THR   2          HG22      THR   2  21.947  -5.988  -5.543
   13   HG23  THR   2          HG23      THR   2  21.760  -4.870  -4.193
   14    H    THR   3           H        THR   3  18.446  -3.910  -3.535
   15    HA   THR   3           HA       THR   3  18.519  -5.108  -0.952
   16    HB   THR   3           HB       THR   3  20.945  -4.574  -1.276
   17    HG1  THR   3           HG1      THR   3  20.777  -4.405   0.817
   18   HG21  THR   3          HG21      THR   3  21.632  -2.200  -1.202
   19   HG22  THR   3          HG22      THR   3  19.942  -1.728  -1.385
   20   HG23  THR   3          HG23      THR   3  20.757  -2.608  -2.678
   21    H    SER   4           H        SER   4  18.099  -3.233   0.741
   22    HA   SER   4           HA       SER   4  15.823  -1.845  -0.325
   23    HB2  SER   4           HB2      SER   4  15.576  -1.125   2.124
   24    HB3  SER   4           HB3      SER   4  15.419  -2.843   1.766
   25    HG   SER   4           HG       SER   4  17.904  -1.702   2.499
   26    H    ASP   5           H        ASP   5  16.534  -0.241  -1.603
   27    HA   ASP   5           HA       ASP   5  17.141   2.215  -0.232
   28    HB2  ASP   5           HB2      ASP   5  19.419   1.437  -0.664
   29    HB3  ASP   5           HB3      ASP   5  19.021   1.126  -2.350
   30    H    PHE   6           H        PHE   6  15.237   3.037  -0.946
   31    HA   PHE   6           HA       PHE   6  14.839   3.845  -3.615
   32    HB2  PHE   6           HB2      PHE   6  12.756   2.257  -3.877
   33    HB3  PHE   6           HB3      PHE   6  14.358   1.680  -4.323
   34    HD1  PHE   6           HD1      PHE   6  12.215   1.844  -1.254
   35    HD2  PHE   6           HD2      PHE   6  14.909  -0.429  -3.643
   36    HE1  PHE   6           HE1      PHE   6  11.978  -0.057   0.290
   37    HE2  PHE   6           HE2      PHE   6  14.673  -2.332  -2.103
   38    HZ   PHE   6           HZ       PHE   6  13.207  -2.148  -0.132
   39    H    HIS   7           H        HIS   7  12.173   4.101  -3.812
   40    HA   HIS   7           HA       HIS   7  11.462   5.668  -1.462
   41    HB2  HIS   7           HB2      HIS   7   9.985   5.354  -4.085
   42    HB3  HIS   7           HB3      HIS   7   9.554   6.461  -2.797
   43    HD1  HIS   7           HD1      HIS   7  11.186   6.506  -5.926
   44    HD2  HIS   7           HD2      HIS   7  11.949   8.227  -2.216
   45    HE1  HIS   7           HE1      HIS   7  12.753   8.421  -6.383
   46    HE2  HIS   7           HE2      HIS   7  13.142   9.499  -4.140
   47    H    THR   8           H        THR   8  10.674   4.515   0.141
   48    HA   THR   8           HA       THR   8   9.292   2.069  -0.240
   49    HB   THR   8           HB       THR   8   8.733   2.493   2.289
   50    HG1  THR   8           HG1      THR   8   9.900   4.066   3.241
   51   HG21  THR   8          HG21      THR   8  10.349   0.852   1.376
   52   HG22  THR   8          HG22      THR   8  10.889   1.571   2.894
   53   HG23  THR   8          HG23      THR   8  11.583   2.113   1.367
   54    H    CYS   9           H        CYS   9   7.194   2.052   1.440
   55    HA   CYS   9           HA       CYS   9   5.253   3.448  -0.208
   56    HB2  CYS   9           HB2      CYS   9   4.886   1.088   0.107
   57    HB3  CYS   9           HB3      CYS   9   5.007   1.252   1.861
   58    H    GLN  10           H        GLN  10   5.332   2.678   3.248
   59    HA   GLN  10           HA       GLN  10   3.808   5.007   3.899
   60    HB2  GLN  10           HB2      GLN  10   4.590   4.256   6.301
   61    HB3  GLN  10           HB3      GLN  10   3.397   3.313   5.416
   62    HG2  GLN  10           HG2      GLN  10   5.279   1.893   4.599
   63    HG3  GLN  10           HG3      GLN  10   6.320   2.733   5.743
   64   HE21  GLN  10          HE21      GLN  10   5.614  -0.065   5.595
   65   HE22  GLN  10          HE22      GLN  10   4.870  -0.465   7.100
   66    H    ASP  11           H        ASP  11   4.695   6.866   3.631
   67    HA   ASP  11           HA       ASP  11   6.794   8.073   4.870
   68    HB2  ASP  11           HB2      ASP  11   8.244   6.306   3.756
   69    HB3  ASP  11           HB3      ASP  11   7.779   6.987   2.197
   70    H    LYS  12           H        LYS  12   5.354   7.485   1.711
   71    HA   LYS  12           HA       LYS  12   5.300  10.402   1.247
   72    HB2  LYS  12           HB2      LYS  12   5.335   8.349  -0.944
   73    HB3  LYS  12           HB3      LYS  12   5.771  10.053  -1.028
   74    HG2  LYS  12           HG2      LYS  12   7.715   9.518   0.465
   75    HG3  LYS  12           HG3      LYS  12   7.316   7.813   0.242
   76    HD2  LYS  12           HD2      LYS  12   7.700   7.938  -2.089
   77    HD3  LYS  12           HD3      LYS  12   7.878   9.700  -2.022
   78    HE2  LYS  12           HE2      LYS  12   9.682   7.637  -0.780
   79    HE3  LYS  12           HE3      LYS  12  10.059   8.705  -2.129
   80    HZ1  LYS  12           HZ1      LYS  12  11.041   9.552  -0.126
   81    HZ2  LYS  12           HZ2      LYS  12   9.555   9.526   0.683
   82    HZ3  LYS  12           HZ3      LYS  12   9.802  10.598  -0.608
   83    H    GLY  13           H        GLY  13   3.557   7.376   0.964
   84    HA2  GLY  13           HA2      GLY  13   1.215   8.903   0.023
   85    HA3  GLY  13           HA3      GLY  13   1.623   7.334  -0.637
   86    H    GLY  14           H        GLY  14   1.521   5.525   0.740
   87    HA2  GLY  14           HA2      GLY  14  -0.409   5.827   2.946
   88    HA3  GLY  14           HA3      GLY  14  -0.693   4.691   1.638
   89    H    HIS  15           H        HIS  15  -0.799   3.326   3.620
   90    HA   HIS  15           HA       HIS  15   1.832   2.352   4.432
   91    HB2  HIS  15           HB2      HIS  15   0.678   1.165   6.164
   92    HB3  HIS  15           HB3      HIS  15   0.009   2.784   6.132
   93    HD1  HIS  15           HD1      HIS  15  -1.153  -0.377   6.750
   94    HD2  HIS  15           HD2      HIS  15  -2.367   2.575   4.074
   95    HE1  HIS  15           HE1      HIS  15  -3.541  -0.917   6.192
   96    HE2  HIS  15           HE2      HIS  15  -4.205   0.787   4.464
   97    H    CYS  16           H        CYS  16   2.067  -0.073   4.452
   98    HA   CYS  16           HA       CYS  16   1.519  -1.004   1.794
   99    HB2  CYS  16           HB2      CYS  16   2.892  -2.310   4.147
  100    HB3  CYS  16           HB3      CYS  16   2.799  -3.012   2.536
  101    H    VAL  17           H        VAL  17  -0.133  -2.208   1.156
  102    HA   VAL  17           HA       VAL  17  -1.730  -3.537   3.242
  103    HB   VAL  17           HB       VAL  17  -3.726  -3.197   1.957
  104   HG11  VAL  17          HG11      VAL  17  -3.917  -0.759   2.018
  105   HG12  VAL  17          HG12      VAL  17  -2.165  -0.634   2.175
  106   HG13  VAL  17          HG13      VAL  17  -3.112  -1.400   3.449
  107   HG21  VAL  17          HG21      VAL  17  -2.010  -1.829  -0.114
  108   HG22  VAL  17          HG22      VAL  17  -3.772  -1.920  -0.134
  109   HG23  VAL  17          HG23      VAL  17  -2.811  -3.391  -0.294
  110    H    SER  18           H        SER  18  -2.448  -5.522   2.927
  111    HA   SER  18           HA       SER  18  -0.987  -7.146   1.088
  112    HB2  SER  18           HB2      SER  18  -2.206  -8.981   2.234
  113    HB3  SER  18           HB3      SER  18  -1.361  -7.920   3.340
  114    HG   SER  18           HG       SER  18  -3.956  -8.522   3.294
  115    HA   PRO  19           HA       PRO  19  -3.589  -7.251  -2.364
  116    HB2  PRO  19           HB2      PRO  19  -3.592  -9.907  -3.039
  117    HB3  PRO  19           HB3      PRO  19  -2.256  -8.791  -3.347
  118    HG2  PRO  19           HG2      PRO  19  -2.630 -10.714  -1.081
  119    HG3  PRO  19           HG3      PRO  19  -1.180 -10.405  -2.054
  120    HD2  PRO  19           HD2      PRO  19  -1.432  -9.333   0.366
  121    HD3  PRO  19           HD3      PRO  19  -0.738  -8.391  -0.973
  122    H    LYS  20           H        LYS  20  -5.101  -7.667   0.218
  123    HA   LYS  20           HA       LYS  20  -7.557  -8.448  -1.146
  124    HB2  LYS  20           HB2      LYS  20  -6.724 -10.476   0.071
  125    HB3  LYS  20           HB3      LYS  20  -6.843  -9.572   1.571
  126    HG2  LYS  20           HG2      LYS  20  -8.745 -11.056   1.272
  127    HG3  LYS  20           HG3      LYS  20  -9.247  -9.367   1.288
  128    HD2  LYS  20           HD2      LYS  20 -10.450 -10.513  -0.447
  129    HD3  LYS  20           HD3      LYS  20  -9.293  -9.416  -1.198
  130    HE2  LYS  20           HE2      LYS  20  -7.757 -11.301  -1.551
  131    HE3  LYS  20           HE3      LYS  20  -8.940 -12.388  -0.823
  132    HZ1  LYS  20           HZ1      LYS  20 -10.495 -11.760  -2.602
  133    HZ2  LYS  20           HZ2      LYS  20  -9.096 -12.494  -3.202
  134    HZ3  LYS  20           HZ3      LYS  20  -9.286 -10.820  -3.320
  135    H    ILE  21           H        ILE  21  -5.942  -6.166   0.333
  136    HA   ILE  21           HA       ILE  21  -7.999  -5.216   2.170
  137    HB   ILE  21           HB       ILE  21  -5.379  -3.933   1.379
  138   HG12  ILE  21          HG12      ILE  21  -5.017  -6.073   2.513
  139   HG13  ILE  21          HG13      ILE  21  -4.537  -4.731   3.546
  140   HG21  ILE  21          HG21      ILE  21  -5.684  -2.548   3.377
  141   HG22  ILE  21          HG22      ILE  21  -7.256  -3.298   3.653
  142   HG23  ILE  21          HG23      ILE  21  -6.990  -2.312   2.216
  143   HD11  ILE  21          HD11      ILE  21  -6.650  -4.943   4.768
  144   HD12  ILE  21          HD12      ILE  21  -5.687  -6.418   4.827
  145   HD13  ILE  21          HD13      ILE  21  -7.083  -6.320   3.755
  146    H    ARG  22           H        ARG  22  -9.308  -3.483   1.802
  147    HA   ARG  22           HA       ARG  22  -9.903  -2.744  -0.857
  148    HB2  ARG  22           HB2      ARG  22 -11.592  -2.751   0.919
  149    HB3  ARG  22           HB3      ARG  22 -10.736  -1.460   1.752
  150    HG2  ARG  22           HG2      ARG  22 -11.088  -0.043  -0.272
  151    HG3  ARG  22           HG3      ARG  22 -12.132  -1.316  -0.904
  152    HD2  ARG  22           HD2      ARG  22 -13.541   0.289   0.129
  153    HD3  ARG  22           HD3      ARG  22 -13.482  -1.111   1.196
  154    HE   ARG  22           HE       ARG  22 -11.500   0.668   2.025
  155   HH11  ARG  22          HH11      ARG  22 -14.989   0.532   1.814
  156   HH12  ARG  22          HH12      ARG  22 -15.239   1.604   3.156
  157   HH21  ARG  22          HH21      ARG  22 -11.809   2.095   3.767
  158   HH22  ARG  22          HH22      ARG  22 -13.429   2.494   4.272
  159    H    CYS  23           H        CYS  23  -8.746  -1.426  -2.081
  160    HA   CYS  23           HA       CYS  23  -6.992   0.550  -0.897
  161    HB2  CYS  23           HB2      CYS  23  -6.623  -0.998  -3.019
  162    HB3  CYS  23           HB3      CYS  23  -7.427   0.337  -3.842
  163    H    LEU  24           H        LEU  24  -7.329   2.721  -0.877
  164    HA   LEU  24           HA       LEU  24  -9.814   3.721  -2.067
  165    HB2  LEU  24           HB2      LEU  24  -8.318   4.349   0.325
  166    HB3  LEU  24           HB3      LEU  24  -8.581   5.790  -0.636
  167    HG   LEU  24           HG       LEU  24 -10.333   5.502   1.046
  168   HD11  LEU  24          HD11      LEU  24 -10.873   6.620  -1.057
  169   HD12  LEU  24          HD12      LEU  24 -12.261   5.740  -0.420
  170   HD13  LEU  24          HD13      LEU  24 -11.337   5.074  -1.764
  171   HD21  LEU  24          HD21      LEU  24 -10.301   3.076   1.217
  172   HD22  LEU  24          HD22      LEU  24 -10.958   2.940  -0.414
  173   HD23  LEU  24          HD23      LEU  24 -11.929   3.659   0.871
  174    H    GLU  25           H        GLU  25  -6.374   4.587  -1.789
  175    HA   GLU  25           HA       GLU  25  -6.514   5.605  -4.539
  176    HB2  GLU  25           HB2      GLU  25  -6.574   7.545  -3.084
  177    HB3  GLU  25           HB3      GLU  25  -5.205   6.946  -2.166
  178    HG2  GLU  25           HG2      GLU  25  -4.440   8.693  -3.579
  179    HG3  GLU  25           HG3      GLU  25  -3.816   7.173  -4.217
  180    H    GLU  26           H        GLU  26  -5.363   4.008  -5.550
  181    HA   GLU  26           HA       GLU  26  -3.200   2.622  -4.375
  182    HB2  GLU  26           HB2      GLU  26  -3.957   2.964  -7.269
  183    HB3  GLU  26           HB3      GLU  26  -2.659   1.925  -6.709
  184    HG2  GLU  26           HG2      GLU  26  -4.185   0.533  -5.526
  185    HG3  GLU  26           HG3      GLU  26  -5.523   1.631  -5.851
  186    H    GLN  27           H        GLN  27  -1.184   3.146  -4.104
  187    HA   GLN  27           HA       GLN  27  -0.088   5.461  -5.539
  188    HB2  GLN  27           HB2      GLN  27  -0.335   6.502  -3.551
  189    HB3  GLN  27           HB3      GLN  27  -0.533   4.997  -2.671
  190    HG2  GLN  27           HG2      GLN  27   1.387   5.793  -1.759
  191    HG3  GLN  27           HG3      GLN  27   2.033   4.789  -3.051
  192   HE21  GLN  27          HE21      GLN  27   3.416   6.859  -1.844
  193   HE22  GLN  27          HE22      GLN  27   3.720   8.064  -3.039
  194    H    LEU  28           H        LEU  28   2.255   5.488  -5.664
  195    HA   LEU  28           HA       LEU  28   3.297   2.803  -5.915
  196    HB2  LEU  28           HB2      LEU  28   4.896   3.629  -7.392
  197    HB3  LEU  28           HB3      LEU  28   3.428   4.461  -7.800
  198    HG   LEU  28           HG       LEU  28   5.106   6.051  -8.045
  199   HD11  LEU  28          HD11      LEU  28   3.260   6.987  -6.840
  200   HD12  LEU  28          HD12      LEU  28   4.773   7.734  -6.330
  201   HD13  LEU  28          HD13      LEU  28   3.996   6.527  -5.306
  202   HD21  LEU  28          HD21      LEU  28   6.947   4.905  -7.054
  203   HD22  LEU  28          HD22      LEU  28   6.274   5.130  -5.440
  204   HD23  LEU  28          HD23      LEU  28   6.842   6.525  -6.361
  205    H    GLY  29           H        GLY  29   4.559   1.921  -4.507
  206    HA2  GLY  29           HA2      GLY  29   6.683   3.275  -3.216
  207    HA3  GLY  29           HA3      GLY  29   5.352   3.028  -2.093
  208    H    LEU  30           H        LEU  30   8.005   1.816  -2.017
  209    HA   LEU  30           HA       LEU  30   7.583  -0.885  -2.946
  210    HB2  LEU  30           HB2      LEU  30   9.894   0.622  -1.870
  211    HB3  LEU  30           HB3      LEU  30   9.922  -1.124  -1.736
  212    HG   LEU  30           HG       LEU  30   9.215  -0.899  -4.318
  213   HD11  LEU  30          HD11      LEU  30  10.848   1.548  -3.719
  214   HD12  LEU  30          HD12      LEU  30   9.217   1.483  -4.383
  215   HD13  LEU  30          HD13      LEU  30  10.581   0.891  -5.334
  216   HD21  LEU  30          HD21      LEU  30  11.578  -1.266  -4.872
  217   HD22  LEU  30          HD22      LEU  30  11.049  -2.235  -3.496
  218   HD23  LEU  30          HD23      LEU  30  12.022  -0.788  -3.232
  219    H    CYS  31           H        CYS  31   6.596  -2.338  -1.865
  220    HA   CYS  31           HA       CYS  31   6.890  -2.442   1.066
  221    HB2  CYS  31           HB2      CYS  31   4.672  -3.590  -0.643
  222    HB3  CYS  31           HB3      CYS  31   4.772  -3.659   1.113
  223    HA   PRO  32           HA       PRO  32   8.943  -6.194  -0.173
  224    HB2  PRO  32           HB2      PRO  32  10.244  -6.689   2.077
  225    HB3  PRO  32           HB3      PRO  32  10.605  -5.216   1.168
  226    HG2  PRO  32           HG2      PRO  32   8.950  -5.569   3.637
  227    HG3  PRO  32           HG3      PRO  32  10.088  -4.265   3.230
  228    HD2  PRO  32           HD2      PRO  32   7.298  -4.183   2.911
  229    HD3  PRO  32           HD3      PRO  32   8.458  -3.071   2.165
  230    H    LEU  33           H        LEU  33   7.232  -7.620  -0.466
  231    HA   LEU  33           HA       LEU  33   7.108  -9.779   1.325
  232    HB2  LEU  33           HB2      LEU  33   4.788  -7.878   1.388
  233    HB3  LEU  33           HB3      LEU  33   4.503  -9.595   1.573
  234    HG   LEU  33           HG       LEU  33   6.167  -7.839   3.374
  235   HD11  LEU  33          HD11      LEU  33   4.518  -8.422   5.068
  236   HD12  LEU  33          HD12      LEU  33   3.596  -9.322   3.863
  237   HD13  LEU  33          HD13      LEU  33   3.786  -7.575   3.707
  238   HD21  LEU  33          HD21      LEU  33   5.775 -10.810   3.335
  239   HD22  LEU  33          HD22      LEU  33   6.294  -9.928   4.772
  240   HD23  LEU  33          HD23      LEU  33   7.288  -9.897   3.315
  241    H    LYS  34           H        LYS  34   4.139  -9.019  -0.263
  242    HA   LYS  34           HA       LYS  34   4.929 -10.639  -2.581
  243    HB2  LYS  34           HB2      LYS  34   2.319 -10.781  -1.061
  244    HB3  LYS  34           HB3      LYS  34   2.701 -11.690  -2.519
  245    HG2  LYS  34           HG2      LYS  34   4.580 -12.753  -1.268
  246    HG3  LYS  34           HG3      LYS  34   3.992 -11.953   0.186
  247    HD2  LYS  34           HD2      LYS  34   3.170 -14.228   0.118
  248    HD3  LYS  34           HD3      LYS  34   1.828 -13.104  -0.083
  249    HE2  LYS  34           HE2      LYS  34   1.679 -15.028  -1.609
  250    HE3  LYS  34           HE3      LYS  34   1.811 -13.499  -2.472
  251    HZ1  LYS  34           HZ1      LYS  34   4.151 -13.936  -2.832
  252    HZ2  LYS  34           HZ2      LYS  34   3.218 -15.201  -3.445
  253    HZ3  LYS  34           HZ3      LYS  34   4.043 -15.394  -1.983
  254    H    ARG  35           H        ARG  35   1.714 -10.070  -2.757
  255    HA   ARG  35           HA       ARG  35   1.990  -8.065  -4.786
  256    HB2  ARG  35           HB2      ARG  35  -0.340  -9.592  -3.661
  257    HB3  ARG  35           HB3      ARG  35  -0.553  -8.329  -4.859
  258    HG2  ARG  35           HG2      ARG  35   1.096 -10.818  -5.190
  259    HG3  ARG  35           HG3      ARG  35  -0.508 -10.542  -5.874
  260    HD2  ARG  35           HD2      ARG  35   2.051  -9.093  -6.531
  261    HD3  ARG  35           HD3      ARG  35   1.104 -10.133  -7.591
  262    HE   ARG  35           HE       ARG  35  -0.455  -7.942  -6.688
  263   HH11  ARG  35          HH11      ARG  35   2.102  -8.768  -8.930
  264   HH12  ARG  35          HH12      ARG  35   1.742  -7.460 -10.012
  265   HH21  ARG  35          HH21      ARG  35  -0.917  -6.215  -8.080
  266   HH22  ARG  35          HH22      ARG  35   0.040  -5.987  -9.511
  267    H    TRP  36           H        TRP  36   2.680  -7.151  -2.158
  268    HA   TRP  36           HA       TRP  36   0.449  -5.762  -1.047
  269    HB2  TRP  36           HB2      TRP  36   3.388  -5.825  -0.423
  270    HB3  TRP  36           HB3      TRP  36   2.292  -4.715   0.400
  271    HD1  TRP  36           HD1      TRP  36   2.211  -8.551  -0.353
  272    HE1  TRP  36           HE1      TRP  36   1.437  -9.747   1.785
  273    HE3  TRP  36           HE3      TRP  36   1.537  -4.480   2.654
  274    HZ2  TRP  36           HZ2      TRP  36   0.633  -9.047   4.404
  275    HZ3  TRP  36           HZ3      TRP  36   0.748  -4.835   4.932
  276    HH2  TRP  36           HH2      TRP  36   0.311  -7.061   5.800
  277    H    THR  37           H        THR  37  -0.325  -3.926  -1.624
  278    HA   THR  37           HA       THR  37   1.092  -2.257  -3.569
  279    HB   THR  37           HB       THR  37  -1.788  -2.693  -2.836
  280    HG1  THR  37           HG1      THR  37  -1.243  -3.957  -4.495
  281   HG21  THR  37          HG21      THR  37  -0.758  -0.340  -4.428
  282   HG22  THR  37          HG22      THR  37  -1.646  -0.280  -2.900
  283   HG23  THR  37          HG23      THR  37  -2.443  -0.857  -4.366
  284    H    CYS  38           H        CYS  38   1.253   0.072  -3.265
  285    HA   CYS  38           HA       CYS  38   1.216   0.836  -0.461
  286    HB2  CYS  38           HB2      CYS  38   3.079   1.537  -2.048
  287    HB3  CYS  38           HB3      CYS  38   1.911   2.609  -2.816
  288    H    CYS  39           H        CYS  39  -0.968   0.861   0.009
  289    HA   CYS  39           HA       CYS  39  -2.724   2.390  -1.688
  290    HB2  CYS  39           HB2      CYS  39  -3.033   0.583   0.624
  291    HB3  CYS  39           HB3      CYS  39  -4.314   1.749   0.328
  292    H    LYS  40           H        LYS  40  -2.647   4.452  -1.575
  293    HA   LYS  40           HA       LYS  40  -1.955   5.929   0.772
  294    HB2  LYS  40           HB2      LYS  40  -1.680   6.670  -1.657
  295    HB3  LYS  40           HB3      LYS  40  -3.407   6.963  -1.671
  296    HG2  LYS  40           HG2      LYS  40  -1.682   8.262   0.391
  297    HG3  LYS  40           HG3      LYS  40  -1.765   8.912  -1.244
  298    HD2  LYS  40           HD2      LYS  40  -4.250   9.014  -0.995
  299    HD3  LYS  40           HD3      LYS  40  -4.045   8.554   0.696
  300    HE2  LYS  40           HE2      LYS  40  -2.670  10.539   1.071
  301    HE3  LYS  40           HE3      LYS  40  -2.854  10.991  -0.622
  302    HZ1  LYS  40           HZ1      LYS  40  -5.050  10.779   1.367
  303    HZ2  LYS  40           HZ2      LYS  40  -5.233  11.207  -0.261
  304    HZ3  LYS  40           HZ3      LYS  40  -4.372  12.220   0.783
  305    H    GLU  41           H        GLU  41  -3.265   5.164   2.337
  306    HA   GLU  41           HA       GLU  41  -4.986   5.126   3.763
  307    HB2  GLU  41           HB2      GLU  41  -6.291   7.014   1.811
  308    HB3  GLU  41           HB3      GLU  41  -6.964   6.548   3.363
  309    HG2  GLU  41           HG2      GLU  41  -5.131   7.543   4.536
  310    HG3  GLU  41           HG3      GLU  41  -4.302   7.887   3.019
  311    H    ILE  42           H        ILE  42  -7.040   4.149   4.096
  312    HA   ILE  42           HA       ILE  42  -8.040   2.540   1.871
  313    HB   ILE  42           HB       ILE  42  -7.992   0.491   3.166
  314   HG12  ILE  42          HG12      ILE  42  -8.133   1.555   5.428
  315   HG13  ILE  42          HG13      ILE  42  -6.947   0.268   5.320
  316   HG21  ILE  42          HG21      ILE  42  -6.104   0.900   1.741
  317   HG22  ILE  42          HG22      ILE  42  -5.576   0.064   3.201
  318   HG23  ILE  42          HG23      ILE  42  -5.287   1.795   3.022
  319   HD11  ILE  42          HD11      ILE  42  -6.378   3.220   5.320
  320   HD12  ILE  42          HD12      ILE  42  -5.165   1.953   5.164
  321   HD13  ILE  42          HD13      ILE  42  -6.106   2.095   6.647
  Start of MODEL    8
    1    H1   ASP   1           H1       ASP   1  18.792  -3.390  -5.435
    2    H2   ASP   1           H2       ASP   1  18.350  -4.877  -4.758
    3    H3   ASP   1           H3       ASP   1  19.974  -4.547  -5.088
    4    HA   ASP   1           HA       ASP   1  20.002  -2.804  -3.457
    5    HB2  ASP   1           HB2      ASP   1  18.046  -2.598  -1.908
    6    HB3  ASP   1           HB3      ASP   1  17.724  -2.048  -3.547
    7    H    THR   2           H        THR   2  21.386  -3.632  -2.101
    8    HA   THR   2           HA       THR   2  21.201  -6.294  -1.061
    9    HB   THR   2           HB       THR   2  23.019  -4.106  -0.052
   10    HG1  THR   2           HG1      THR   2  24.343  -4.457  -1.767
   11   HG21  THR   2          HG21      THR   2  23.352  -7.105  -0.258
   12   HG22  THR   2          HG22      THR   2  23.022  -6.199   1.218
   13   HG23  THR   2          HG23      THR   2  24.554  -5.977   0.373
   14    H    THR   3           H        THR   3  20.333  -3.129  -0.095
   15    HA   THR   3           HA       THR   3  19.006  -4.149   2.291
   16    HB   THR   3           HB       THR   3  21.169  -3.310   3.104
   17    HG1  THR   3           HG1      THR   3  19.605  -1.229   3.991
   18   HG21  THR   3          HG21      THR   3  21.694  -1.719   1.347
   19   HG22  THR   3          HG22      THR   3  21.731  -0.921   2.921
   20   HG23  THR   3          HG23      THR   3  20.349  -0.691   1.848
   21    H    SER   4           H        SER   4  17.232  -2.805   2.937
   22    HA   SER   4           HA       SER   4  15.975  -1.602   0.684
   23    HB2  SER   4           HB2      SER   4  15.077  -1.754   3.567
   24    HB3  SER   4           HB3      SER   4  14.064  -1.281   2.202
   25    HG   SER   4           HG       SER   4  13.926  -3.542   2.882
   26    H    ASP   5           H        ASP   5  17.022   0.224   0.082
   27    HA   ASP   5           HA       ASP   5  16.390   2.559   1.717
   28    HB2  ASP   5           HB2      ASP   5  18.769   2.074   2.176
   29    HB3  ASP   5           HB3      ASP   5  19.106   2.124   0.447
   30    H    PHE   6           H        PHE   6  14.900   3.402   0.423
   31    HA   PHE   6           HA       PHE   6  15.396   4.402  -2.153
   32    HB2  PHE   6           HB2      PHE   6  13.661   2.735  -3.247
   33    HB3  PHE   6           HB3      PHE   6  15.366   2.325  -3.179
   34    HD1  PHE   6           HD1      PHE   6  15.540   0.053  -2.988
   35    HD2  PHE   6           HD2      PHE   6  12.659   2.088  -0.606
   36    HE1  PHE   6           HE1      PHE   6  15.010  -2.053  -1.837
   37    HE2  PHE   6           HE2      PHE   6  12.126  -0.018   0.548
   38    HZ   PHE   6           HZ       PHE   6  13.304  -2.091  -0.067
   39    H    HIS   7           H        HIS   7  12.871   4.451  -3.247
   40    HA   HIS   7           HA       HIS   7  11.465   6.059  -1.309
   41    HB2  HIS   7           HB2      HIS   7  10.785   5.355  -4.169
   42    HB3  HIS   7           HB3      HIS   7   9.860   6.468  -3.174
   43    HD1  HIS   7           HD1      HIS   7  12.577   6.363  -5.548
   44    HD2  HIS   7           HD2      HIS   7  11.515   8.787  -2.337
   45    HE1  HIS   7           HE1      HIS   7  13.898   8.484  -5.834
   46    HE2  HIS   7           HE2      HIS   7  13.129   9.989  -3.967
   47    H    THR   8           H        THR   8  10.546   4.875   0.226
   48    HA   THR   8           HA       THR   8   9.372   2.324  -0.291
   49    HB   THR   8           HB       THR   8   8.625   2.696   2.207
   50    HG1  THR   8           HG1      THR   8  10.851   4.346   2.404
   51   HG21  THR   8          HG21      THR   8  10.337   1.106   1.475
   52   HG22  THR   8          HG22      THR   8  10.835   1.932   2.951
   53   HG23  THR   8          HG23      THR   8  11.522   2.410   1.399
   54    H    CYS   9           H        CYS   9   7.136   2.192   1.264
   55    HA   CYS   9           HA       CYS   9   5.243   3.531  -0.493
   56    HB2  CYS   9           HB2      CYS   9   4.891   1.385   1.615
   57    HB3  CYS   9           HB3      CYS   9   3.587   2.020   0.619
   58    H    GLN  10           H        GLN  10   5.256   2.833   3.005
   59    HA   GLN  10           HA       GLN  10   3.723   5.203   3.532
   60    HB2  GLN  10           HB2      GLN  10   4.233   4.535   5.964
   61    HB3  GLN  10           HB3      GLN  10   3.247   3.440   5.011
   62    HG2  GLN  10           HG2      GLN  10   5.482   2.239   4.517
   63    HG3  GLN  10           HG3      GLN  10   6.077   3.127   5.916
   64   HE21  GLN  10          HE21      GLN  10   5.730   0.265   5.542
   65   HE22  GLN  10          HE22      GLN  10   4.655  -0.262   6.788
   66    H    ASP  11           H        ASP  11   4.661   7.063   3.279
   67    HA   ASP  11           HA       ASP  11   6.751   8.269   4.475
   68    HB2  ASP  11           HB2      ASP  11   8.220   6.400   3.686
   69    HB3  ASP  11           HB3      ASP  11   7.816   6.819   2.024
   70    H    LYS  12           H        LYS  12   5.773   7.474   1.150
   71    HA   LYS  12           HA       LYS  12   5.650  10.355   0.540
   72    HB2  LYS  12           HB2      LYS  12   5.289   8.138  -1.449
   73    HB3  LYS  12           HB3      LYS  12   5.755   9.797  -1.752
   74    HG2  LYS  12           HG2      LYS  12   7.944   9.379  -0.773
   75    HG3  LYS  12           HG3      LYS  12   7.478   7.711  -0.426
   76    HD2  LYS  12           HD2      LYS  12   7.486   8.905  -3.194
   77    HD3  LYS  12           HD3      LYS  12   8.838   8.006  -2.512
   78    HE2  LYS  12           HE2      LYS  12   7.647   6.002  -2.479
   79    HE3  LYS  12           HE3      LYS  12   6.090   6.809  -2.604
   80    HZ1  LYS  12           HZ1      LYS  12   6.686   7.460  -4.879
   81    HZ2  LYS  12           HZ2      LYS  12   6.636   5.781  -4.685
   82    HZ3  LYS  12           HZ3      LYS  12   8.123   6.582  -4.752
   83    H    GLY  13           H        GLY  13   3.763   7.418   0.677
   84    HA2  GLY  13           HA2      GLY  13   1.368   8.963  -0.068
   85    HA3  GLY  13           HA3      GLY  13   1.645   7.345  -0.677
   86    H    GLY  14           H        GLY  14   1.589   5.610   0.756
   87    HA2  GLY  14           HA2      GLY  14   0.435   6.024   3.374
   88    HA3  GLY  14           HA3      GLY  14  -0.622   5.269   2.189
   89    H    HIS  15           H        HIS  15  -0.598   3.468   3.743
   90    HA   HIS  15           HA       HIS  15   1.977   2.189   4.216
   91    HB2  HIS  15           HB2      HIS  15   0.870   0.962   5.931
   92    HB3  HIS  15           HB3      HIS  15   0.261   2.604   6.039
   93    HD1  HIS  15           HD1      HIS  15  -0.997  -0.535   6.550
   94    HD2  HIS  15           HD2      HIS  15  -2.245   2.549   4.046
   95    HE1  HIS  15           HE1      HIS  15  -3.408  -1.010   6.028
   96    HE2  HIS  15           HE2      HIS  15  -4.136   0.851   4.509
   97    H    CYS  16           H        CYS  16   2.078  -0.201   4.101
   98    HA   CYS  16           HA       CYS  16   1.284  -1.035   1.466
   99    HB2  CYS  16           HB2      CYS  16   2.758  -2.513   3.656
  100    HB3  CYS  16           HB3      CYS  16   2.577  -3.068   1.993
  101    H    VAL  17           H        VAL  17  -0.332  -2.382   0.931
  102    HA   VAL  17           HA       VAL  17  -1.818  -3.637   3.138
  103    HB   VAL  17           HB       VAL  17  -3.892  -3.359   1.859
  104   HG11  VAL  17          HG11      VAL  17  -3.349  -1.709   3.538
  105   HG12  VAL  17          HG12      VAL  17  -4.170  -0.939   2.180
  106   HG13  VAL  17          HG13      VAL  17  -2.424  -0.775   2.364
  107   HG21  VAL  17          HG21      VAL  17  -2.217  -1.727  -0.049
  108   HG22  VAL  17          HG22      VAL  17  -3.977  -1.846  -0.079
  109   HG23  VAL  17          HG23      VAL  17  -2.990  -3.273  -0.397
  110    H    SER  18           H        SER  18  -2.475  -5.642   2.901
  111    HA   SER  18           HA       SER  18  -1.083  -7.304   1.094
  112    HB2  SER  18           HB2      SER  18  -2.302  -9.099   2.197
  113    HB3  SER  18           HB3      SER  18  -1.712  -7.960   3.385
  114    HG   SER  18           HG       SER  18  -4.186  -8.768   3.065
  115    HA   PRO  19           HA       PRO  19  -3.462  -7.317  -2.524
  116    HB2  PRO  19           HB2      PRO  19  -3.521  -9.960  -3.224
  117    HB3  PRO  19           HB3      PRO  19  -2.111  -8.912  -3.405
  118    HG2  PRO  19           HG2      PRO  19  -2.778 -10.811  -1.182
  119    HG3  PRO  19           HG3      PRO  19  -1.245 -10.607  -2.052
  120    HD2  PRO  19           HD2      PRO  19  -1.569  -9.502   0.334
  121    HD3  PRO  19           HD3      PRO  19  -0.754  -8.605  -0.966
  122    H    LYS  20           H        LYS  20  -5.132  -7.749  -0.004
  123    HA   LYS  20           HA       LYS  20  -7.530  -8.528  -1.473
  124    HB2  LYS  20           HB2      LYS  20  -6.578 -10.514  -0.128
  125    HB3  LYS  20           HB3      LYS  20  -7.086  -9.622   1.300
  126    HG2  LYS  20           HG2      LYS  20  -9.391  -9.630   0.488
  127    HG3  LYS  20           HG3      LYS  20  -8.882 -10.529  -0.944
  128    HD2  LYS  20           HD2      LYS  20  -8.066 -12.337   0.559
  129    HD3  LYS  20           HD3      LYS  20  -8.742 -11.449   1.923
  130    HE2  LYS  20           HE2      LYS  20 -10.275 -12.535  -0.436
  131    HE3  LYS  20           HE3      LYS  20 -10.261 -13.204   1.194
  132    HZ1  LYS  20           HZ1      LYS  20 -11.223 -11.091   1.980
  133    HZ2  LYS  20           HZ2      LYS  20 -12.228 -11.898   0.886
  134    HZ3  LYS  20           HZ3      LYS  20 -11.334 -10.559   0.377
  135    H    ILE  21           H        ILE  21  -6.063  -6.183  -0.026
  136    HA   ILE  21           HA       ILE  21  -8.190  -5.350   1.803
  137    HB   ILE  21           HB       ILE  21  -5.557  -3.997   1.185
  138   HG12  ILE  21          HG12      ILE  21  -5.198  -6.148   2.278
  139   HG13  ILE  21          HG13      ILE  21  -4.838  -4.832   3.388
  140   HG21  ILE  21          HG21      ILE  21  -5.995  -2.668   3.187
  141   HG22  ILE  21          HG22      ILE  21  -7.558  -3.461   3.374
  142   HG23  ILE  21          HG23      ILE  21  -7.252  -2.434   1.973
  143   HD11  ILE  21          HD11      ILE  21  -7.012  -5.156   4.460
  144   HD12  ILE  21          HD12      ILE  21  -6.019  -6.612   4.514
  145   HD13  ILE  21          HD13      ILE  21  -7.346  -6.493   3.360
  146    H    ARG  22           H        ARG  22  -9.620  -3.799   1.328
  147    HA   ARG  22           HA       ARG  22  -9.905  -2.839  -1.323
  148    HB2  ARG  22           HB2      ARG  22 -11.810  -3.277   0.157
  149    HB3  ARG  22           HB3      ARG  22 -11.265  -2.023   1.254
  150    HG2  ARG  22           HG2      ARG  22 -11.824  -1.298  -1.563
  151    HG3  ARG  22           HG3      ARG  22 -13.181  -1.596  -0.477
  152    HD2  ARG  22           HD2      ARG  22 -10.957   0.405  -0.082
  153    HD3  ARG  22           HD3      ARG  22 -12.630   0.765  -0.501
  154    HE   ARG  22           HE       ARG  22 -11.891  -0.515   2.052
  155   HH11  ARG  22          HH11      ARG  22 -13.639   1.930   0.248
  156   HH12  ARG  22          HH12      ARG  22 -14.419   2.582   1.652
  157   HH21  ARG  22          HH21      ARG  22 -12.915   0.347   3.894
  158   HH22  ARG  22          HH22      ARG  22 -14.002   1.687   3.725
  159    H    CYS  23           H        CYS  23  -8.754  -1.255  -2.210
  160    HA   CYS  23           HA       CYS  23  -7.435   0.687  -0.446
  161    HB2  CYS  23           HB2      CYS  23  -6.120  -0.757  -2.099
  162    HB3  CYS  23           HB3      CYS  23  -6.857   0.217  -3.369
  163    H    LEU  24           H        LEU  24  -7.713   2.873  -0.696
  164    HA   LEU  24           HA       LEU  24  -9.967   3.682  -2.360
  165    HB2  LEU  24           HB2      LEU  24  -8.551   4.935  -0.042
  166    HB3  LEU  24           HB3      LEU  24  -9.504   5.934  -1.118
  167    HG   LEU  24           HG       LEU  24 -10.812   5.327   0.827
  168   HD11  LEU  24          HD11      LEU  24 -11.773   3.817  -1.593
  169   HD12  LEU  24          HD12      LEU  24 -11.963   5.548  -1.323
  170   HD13  LEU  24          HD13      LEU  24 -12.762   4.396  -0.254
  171   HD21  LEU  24          HD21      LEU  24  -9.717   3.287   1.486
  172   HD22  LEU  24          HD22      LEU  24 -10.267   2.477   0.022
  173   HD23  LEU  24          HD23      LEU  24 -11.435   2.976   1.245
  174    H    GLU  25           H        GLU  25  -6.613   4.783  -1.718
  175    HA   GLU  25           HA       GLU  25  -6.535   5.502  -4.572
  176    HB2  GLU  25           HB2      GLU  25  -6.674   7.557  -3.234
  177    HB3  GLU  25           HB3      GLU  25  -5.273   7.055  -2.304
  178    HG2  GLU  25           HG2      GLU  25  -3.874   7.208  -4.277
  179    HG3  GLU  25           HG3      GLU  25  -5.277   7.624  -5.261
  180    H    GLU  26           H        GLU  26  -5.275   3.983  -5.458
  181    HA   GLU  26           HA       GLU  26  -3.279   2.588  -4.026
  182    HB2  GLU  26           HB2      GLU  26  -3.853   2.771  -6.975
  183    HB3  GLU  26           HB3      GLU  26  -2.574   1.766  -6.311
  184    HG2  GLU  26           HG2      GLU  26  -4.274   0.592  -4.945
  185    HG3  GLU  26           HG3      GLU  26  -5.522   1.529  -5.764
  186    H    GLN  27           H        GLN  27  -1.183   2.817  -3.885
  187    HA   GLN  27           HA       GLN  27   0.039   5.222  -5.038
  188    HB2  GLN  27           HB2      GLN  27  -0.198   5.927  -2.880
  189    HB3  GLN  27           HB3      GLN  27  -0.221   4.302  -2.227
  190    HG2  GLN  27           HG2      GLN  27   1.695   5.332  -1.374
  191    HG3  GLN  27           HG3      GLN  27   2.259   4.242  -2.630
  192   HE21  GLN  27          HE21      GLN  27   3.575   6.533  -1.510
  193   HE22  GLN  27          HE22      GLN  27   3.880   7.609  -2.827
  194    H    LEU  28           H        LEU  28   2.330   5.118  -5.268
  195    HA   LEU  28           HA       LEU  28   3.242   2.371  -5.731
  196    HB2  LEU  28           HB2      LEU  28   4.827   3.586  -7.406
  197    HB3  LEU  28           HB3      LEU  28   3.178   3.210  -7.855
  198    HG   LEU  28           HG       LEU  28   2.674   5.643  -7.061
  199   HD11  LEU  28          HD11      LEU  28   5.620   5.849  -7.662
  200   HD12  LEU  28          HD12      LEU  28   4.870   6.083  -6.082
  201   HD13  LEU  28          HD13      LEU  28   4.513   7.198  -7.402
  202   HD21  LEU  28          HD21      LEU  28   2.430   4.855  -9.340
  203   HD22  LEU  28          HD22      LEU  28   4.162   5.048  -9.610
  204   HD23  LEU  28          HD23      LEU  28   3.154   6.463  -9.316
  205    H    GLY  29           H        GLY  29   4.914   1.681  -4.684
  206    HA2  GLY  29           HA2      GLY  29   7.154   3.259  -3.943
  207    HA3  GLY  29           HA3      GLY  29   6.105   2.977  -2.559
  208    H    LEU  30           H        LEU  30   8.109   1.831  -1.826
  209    HA   LEU  30           HA       LEU  30   8.364  -0.826  -3.037
  210    HB2  LEU  30           HB2      LEU  30  10.206   0.852  -1.401
  211    HB3  LEU  30           HB3      LEU  30  10.375  -0.889  -1.341
  212    HG   LEU  30           HG       LEU  30  11.939   0.056  -2.925
  213   HD11  LEU  30          HD11      LEU  30   9.717  -1.401  -4.343
  214   HD12  LEU  30          HD12      LEU  30  11.009  -2.149  -3.403
  215   HD13  LEU  30          HD13      LEU  30  11.389  -1.267  -4.881
  216   HD21  LEU  30          HD21      LEU  30   9.563   1.084  -4.458
  217   HD22  LEU  30          HD22      LEU  30  11.268   1.275  -4.872
  218   HD23  LEU  30          HD23      LEU  30  10.608   2.078  -3.443
  219    H    CYS  31           H        CYS  31   6.778  -2.023  -2.173
  220    HA   CYS  31           HA       CYS  31   6.754  -2.320   0.751
  221    HB2  CYS  31           HB2      CYS  31   4.830  -3.392  -1.320
  222    HB3  CYS  31           HB3      CYS  31   4.701  -3.647   0.412
  223    HA   PRO  32           HA       PRO  32   8.977  -6.030  -0.325
  224    HB2  PRO  32           HB2      PRO  32  10.292  -6.324   1.958
  225    HB3  PRO  32           HB3      PRO  32  10.624  -4.926   0.929
  226    HG2  PRO  32           HG2      PRO  32   9.063  -5.087   3.464
  227    HG3  PRO  32           HG3      PRO  32  10.074  -3.763   2.852
  228    HD2  PRO  32           HD2      PRO  32   7.241  -4.014   2.642
  229    HD3  PRO  32           HD3      PRO  32   8.268  -2.785   1.876
  230    H    LEU  33           H        LEU  33   7.246  -7.463  -0.498
  231    HA   LEU  33           HA       LEU  33   7.135  -9.468   1.489
  232    HB2  LEU  33           HB2      LEU  33   4.755  -7.641   1.234
  233    HB3  LEU  33           HB3      LEU  33   4.556  -9.313   1.705
  234    HG   LEU  33           HG       LEU  33   6.166  -7.246   3.206
  235   HD11  LEU  33          HD11      LEU  33   3.778  -6.856   3.390
  236   HD12  LEU  33          HD12      LEU  33   4.450  -7.433   4.915
  237   HD13  LEU  33          HD13      LEU  33   3.534  -8.531   3.884
  238   HD21  LEU  33          HD21      LEU  33   6.237  -9.002   4.966
  239   HD22  LEU  33          HD22      LEU  33   7.177  -9.366   3.521
  240   HD23  LEU  33          HD23      LEU  33   5.611 -10.140   3.773
  241    H    LYS  34           H        LYS  34   4.208  -8.938  -0.227
  242    HA   LYS  34           HA       LYS  34   5.091 -10.701  -2.397
  243    HB2  LYS  34           HB2      LYS  34   2.485 -10.838  -0.869
  244    HB3  LYS  34           HB3      LYS  34   2.904 -11.836  -2.258
  245    HG2  LYS  34           HG2      LYS  34   4.808 -12.750  -0.964
  246    HG3  LYS  34           HG3      LYS  34   4.250 -11.835   0.433
  247    HD2  LYS  34           HD2      LYS  34   2.180 -13.051   0.481
  248    HD3  LYS  34           HD3      LYS  34   2.579 -13.872  -1.028
  249    HE2  LYS  34           HE2      LYS  34   4.135 -14.130   1.542
  250    HE3  LYS  34           HE3      LYS  34   2.929 -15.284   0.977
  251    HZ1  LYS  34           HZ1      LYS  34   5.148 -16.021   0.422
  252    HZ2  LYS  34           HZ2      LYS  34   5.460 -14.586  -0.414
  253    HZ3  LYS  34           HZ3      LYS  34   4.295 -15.664  -0.992
  254    H    ARG  35           H        ARG  35   1.841 -10.261  -2.610
  255    HA   ARG  35           HA       ARG  35   2.068  -8.323  -4.724
  256    HB2  ARG  35           HB2      ARG  35  -0.063 -10.130  -3.711
  257    HB3  ARG  35           HB3      ARG  35  -0.537  -8.732  -4.670
  258    HG2  ARG  35           HG2      ARG  35   1.453 -10.805  -5.524
  259    HG3  ARG  35           HG3      ARG  35  -0.249 -10.776  -6.002
  260    HD2  ARG  35           HD2      ARG  35   1.916  -8.793  -6.674
  261    HD3  ARG  35           HD3      ARG  35   0.932  -9.751  -7.779
  262    HE   ARG  35           HE       ARG  35  -0.952  -8.296  -6.609
  263   HH11  ARG  35          HH11      ARG  35   2.180  -7.288  -7.802
  264   HH12  ARG  35          HH12      ARG  35   1.653  -5.685  -8.194
  265   HH21  ARG  35          HH21      ARG  35  -1.646  -6.197  -7.120
  266   HH22  ARG  35          HH22      ARG  35  -0.532  -5.062  -7.816
  267    H    TRP  36           H        TRP  36   2.650  -7.326  -2.151
  268    HA   TRP  36           HA       TRP  36   0.341  -6.039  -1.077
  269    HB2  TRP  36           HB2      TRP  36   3.269  -6.005  -0.432
  270    HB3  TRP  36           HB3      TRP  36   2.146  -4.898   0.358
  271    HD1  TRP  36           HD1      TRP  36   2.093  -8.752  -0.337
  272    HE1  TRP  36           HE1      TRP  36   1.298  -9.897   1.833
  273    HE3  TRP  36           HE3      TRP  36   1.442  -4.612   2.585
  274    HZ2  TRP  36           HZ2      TRP  36   0.492  -9.131   4.438
  275    HZ3  TRP  36           HZ3      TRP  36   0.652  -4.907   4.867
  276    HH2  TRP  36           HH2      TRP  36   0.191  -7.106   5.786
  277    H    THR  37           H        THR  37  -0.548  -4.339  -1.823
  278    HA   THR  37           HA       THR  37   0.810  -2.552  -3.661
  279    HB   THR  37           HB       THR  37  -2.049  -2.756  -2.689
  280    HG1  THR  37           HG1      THR  37  -0.618  -3.737  -4.843
  281   HG21  THR  37          HG21      THR  37  -2.579  -1.100  -4.492
  282   HG22  THR  37          HG22      THR  37  -0.848  -0.783  -4.631
  283   HG23  THR  37          HG23      THR  37  -1.694  -0.430  -3.121
  284    H    CYS  38           H        CYS  38   1.161  -0.300  -3.227
  285    HA   CYS  38           HA       CYS  38   1.196   0.382  -0.401
  286    HB2  CYS  38           HB2      CYS  38   1.881   2.220  -2.711
  287    HB3  CYS  38           HB3      CYS  38   2.420   2.321  -1.041
  288    H    CYS  39           H        CYS  39  -0.554   1.268   0.555
  289    HA   CYS  39           HA       CYS  39  -2.618   2.296  -1.267
  290    HB2  CYS  39           HB2      CYS  39  -2.998   0.320   0.411
  291    HB3  CYS  39           HB3      CYS  39  -3.180   1.623   1.578
  292    H    LYS  40           H        LYS  40  -2.845   4.369  -1.340
  293    HA   LYS  40           HA       LYS  40  -1.902   6.070   0.788
  294    HB2  LYS  40           HB2      LYS  40  -1.806   6.610  -1.712
  295    HB3  LYS  40           HB3      LYS  40  -3.531   6.905  -1.613
  296    HG2  LYS  40           HG2      LYS  40  -1.574   8.346   0.141
  297    HG3  LYS  40           HG3      LYS  40  -1.976   8.908  -1.481
  298    HD2  LYS  40           HD2      LYS  40  -4.396   8.872  -0.759
  299    HD3  LYS  40           HD3      LYS  40  -3.813   8.614   0.887
  300    HE2  LYS  40           HE2      LYS  40  -4.285  10.987   0.387
  301    HE3  LYS  40           HE3      LYS  40  -2.604  10.697   0.832
  302    HZ1  LYS  40           HZ1      LYS  40  -3.488  10.794  -1.991
  303    HZ2  LYS  40           HZ2      LYS  40  -1.914  10.928  -1.378
  304    HZ3  LYS  40           HZ3      LYS  40  -3.018  12.183  -1.146
  305    H    GLU  41           H        GLU  41  -3.113   5.321   2.455
  306    HA   GLU  41           HA       GLU  41  -4.698   5.458   4.020
  307    HB2  GLU  41           HB2      GLU  41  -4.885   7.817   3.291
  308    HB3  GLU  41           HB3      GLU  41  -6.143   7.349   2.158
  309    HG2  GLU  41           HG2      GLU  41  -7.105   8.306   4.162
  310    HG3  GLU  41           HG3      GLU  41  -7.540   6.605   4.014
  311    H    ILE  42           H        ILE  42  -6.638   4.522   4.638
  312    HA   ILE  42           HA       ILE  42  -8.028   3.068   2.511
  313    HB   ILE  42           HB       ILE  42  -8.190   1.067   3.926
  314   HG12  ILE  42          HG12      ILE  42  -7.811   2.196   6.149
  315   HG13  ILE  42          HG13      ILE  42  -6.874   0.732   5.908
  316   HG21  ILE  42          HG21      ILE  42  -5.858   0.324   3.633
  317   HG22  ILE  42          HG22      ILE  42  -5.397   1.999   3.316
  318   HG23  ILE  42          HG23      ILE  42  -6.507   1.167   2.226
  319   HD11  ILE  42          HD11      ILE  42  -4.920   2.156   5.338
  320   HD12  ILE  42          HD12      ILE  42  -5.507   2.352   6.987
  321   HD13  ILE  42          HD13      ILE  42  -5.885   3.566   5.769
  Start of MODEL    9
    1    H1   ASP   1           H1       ASP   1  15.150  -5.848  -3.791
    2    H2   ASP   1           H2       ASP   1  15.210  -6.535  -2.246
    3    H3   ASP   1           H3       ASP   1  16.309  -7.027  -3.433
    4    HA   ASP   1           HA       ASP   1  17.286  -4.833  -3.483
    5    HB2  ASP   1           HB2      ASP   1  16.676  -3.208  -1.726
    6    HB3  ASP   1           HB3      ASP   1  15.325  -3.542  -2.801
    7    H    THR   2           H        THR   2  19.252  -5.077  -2.692
    8    HA   THR   2           HA       THR   2  19.762  -6.911  -0.535
    9    HB   THR   2           HB       THR   2  21.752  -5.061  -1.858
   10    HG1  THR   2           HG1      THR   2  20.298  -6.939  -3.026
   11   HG21  THR   2          HG21      THR   2  22.072  -7.763  -0.536
   12   HG22  THR   2          HG22      THR   2  22.536  -6.212   0.165
   13   HG23  THR   2          HG23      THR   2  23.362  -6.811  -1.273
   14    H    THR   3           H        THR   3  19.652  -3.513  -1.054
   15    HA   THR   3           HA       THR   3  19.588  -3.083   1.828
   16    HB   THR   3           HB       THR   3  21.849  -2.427   1.259
   17    HG1  THR   3           HG1      THR   3  21.630  -0.663   2.405
   18   HG21  THR   3          HG21      THR   3  20.607  -0.682  -0.868
   19   HG22  THR   3          HG22      THR   3  21.588  -2.122  -1.145
   20   HG23  THR   3          HG23      THR   3  22.313  -0.688  -0.416
   21    H    SER   4           H        SER   4  18.023  -1.644   2.417
   22    HA   SER   4           HA       SER   4  16.191  -0.925   0.326
   23    HB2  SER   4           HB2      SER   4  15.980  -0.466   3.306
   24    HB3  SER   4           HB3      SER   4  14.672  -0.315   2.128
   25    HG   SER   4           HG       SER   4  15.409  -2.650   1.632
   26    H    ASP   5           H        ASP   5  17.030   0.696  -0.832
   27    HA   ASP   5           HA       ASP   5  16.997   3.321   0.444
   28    HB2  ASP   5           HB2      ASP   5  19.382   2.626   0.340
   29    HB3  ASP   5           HB3      ASP   5  19.219   2.389  -1.396
   30    H    PHE   6           H        PHE   6  15.192   3.984  -0.564
   31    HA   PHE   6           HA       PHE   6  15.026   4.585  -3.286
   32    HB2  PHE   6           HB2      PHE   6  13.183   2.783  -3.755
   33    HB3  PHE   6           HB3      PHE   6  14.877   2.353  -3.948
   34    HD1  PHE   6           HD1      PHE   6  12.749   2.579  -0.877
   35    HD2  PHE   6           HD2      PHE   6  15.066   0.120  -3.466
   36    HE1  PHE   6           HE1      PHE   6  12.460   0.684   0.666
   37    HE2  PHE   6           HE2      PHE   6  14.777  -1.774  -1.927
   38    HZ   PHE   6           HZ       PHE   6  13.474  -1.494   0.139
   39    H    HIS   7           H        HIS   7  12.412   4.561  -3.831
   40    HA   HIS   7           HA       HIS   7  11.284   6.218  -1.742
   41    HB2  HIS   7           HB2      HIS   7  10.385   5.519  -4.530
   42    HB3  HIS   7           HB3      HIS   7   9.359   6.405  -3.410
   43    HD1  HIS   7           HD1      HIS   7  11.408   7.105  -6.122
   44    HD2  HIS   7           HD2      HIS   7  11.132   8.703  -2.297
   45    HE1  HIS   7           HE1      HIS   7  12.430   9.396  -6.277
   46    HE2  HIS   7           HE2      HIS   7  12.418  10.266  -3.913
   47    H    THR   8           H        THR   8  10.626   5.041  -0.067
   48    HA   THR   8           HA       THR   8   9.433   2.491  -0.254
   49    HB   THR   8           HB       THR   8   8.770   3.054   2.200
   50    HG1  THR   8           HG1      THR   8  10.341   4.791   2.915
   51   HG21  THR   8          HG21      THR   8  10.634   1.597   1.614
   52   HG22  THR   8          HG22      THR   8  11.087   2.656   2.949
   53   HG23  THR   8          HG23      THR   8  11.661   2.999   1.318
   54    H    CYS   9           H        CYS   9   7.271   2.402   1.335
   55    HA   CYS   9           HA       CYS   9   5.265   3.600  -0.410
   56    HB2  CYS   9           HB2      CYS   9   5.080   1.435   1.706
   57    HB3  CYS   9           HB3      CYS   9   3.709   2.022   0.763
   58    H    GLN  10           H        GLN  10   5.338   2.900   3.087
   59    HA   GLN  10           HA       GLN  10   3.639   5.186   3.567
   60    HB2  GLN  10           HB2      GLN  10   4.041   4.474   6.014
   61    HB3  GLN  10           HB3      GLN  10   3.140   3.380   4.977
   62    HG2  GLN  10           HG2      GLN  10   5.337   2.194   4.566
   63    HG3  GLN  10           HG3      GLN  10   5.982   3.146   5.901
   64   HE21  GLN  10          HE21      GLN  10   5.605   0.268   5.613
   65   HE22  GLN  10          HE22      GLN  10   4.604  -0.218   6.932
   66    H    ASP  11           H        ASP  11   4.555   7.059   3.348
   67    HA   ASP  11           HA       ASP  11   6.317   8.402   4.838
   68    HB2  ASP  11           HB2      ASP  11   7.983   6.546   4.324
   69    HB3  ASP  11           HB3      ASP  11   7.956   7.077   2.649
   70    H    LYS  12           H        LYS  12   6.091   7.500   1.396
   71    HA   LYS  12           HA       LYS  12   5.873  10.309   0.642
   72    HB2  LYS  12           HB2      LYS  12   5.985   7.800  -1.041
   73    HB3  LYS  12           HB3      LYS  12   5.983   9.434  -1.671
   74    HG2  LYS  12           HG2      LYS  12   8.185   8.608  -1.762
   75    HG3  LYS  12           HG3      LYS  12   8.146   9.817  -0.486
   76    HD2  LYS  12           HD2      LYS  12   7.978   7.999   1.153
   77    HD3  LYS  12           HD3      LYS  12   8.077   6.817  -0.153
   78    HE2  LYS  12           HE2      LYS  12  10.242   7.039   0.848
   79    HE3  LYS  12           HE3      LYS  12  10.285   7.766  -0.756
   80    HZ1  LYS  12           HZ1      LYS  12  10.083   9.944   0.255
   81    HZ2  LYS  12           HZ2      LYS  12  11.417   9.131   0.898
   82    HZ3  LYS  12           HZ3      LYS  12   9.987   9.256   1.801
   83    H    GLY  13           H        GLY  13   4.021   7.345   0.741
   84    HA2  GLY  13           HA2      GLY  13   1.678   8.829  -0.265
   85    HA3  GLY  13           HA3      GLY  13   2.015   7.182  -0.751
   86    H    GLY  14           H        GLY  14   1.765   5.518   0.724
   87    HA2  GLY  14           HA2      GLY  14   0.417   6.062   3.229
   88    HA3  GLY  14           HA3      GLY  14  -0.557   5.286   1.991
   89    H    HIS  15           H        HIS  15  -0.697   3.544   3.622
   90    HA   HIS  15           HA       HIS  15   1.797   2.216   4.321
   91    HB2  HIS  15           HB2      HIS  15   0.540   1.060   5.974
   92    HB3  HIS  15           HB3      HIS  15  -0.093   2.697   5.975
   93    HD1  HIS  15           HD1      HIS  15  -1.309  -0.515   6.325
   94    HD2  HIS  15           HD2      HIS  15  -2.429   2.675   3.906
   95    HE1  HIS  15           HE1      HIS  15  -3.684  -0.965   5.663
   96    HE2  HIS  15           HE2      HIS  15  -4.396   1.086   4.400
   97    H    CYS  16           H        CYS  16   1.948  -0.135   4.199
   98    HA   CYS  16           HA       CYS  16   1.263  -1.031   1.554
   99    HB2  CYS  16           HB2      CYS  16   2.686  -2.445   3.818
  100    HB3  CYS  16           HB3      CYS  16   2.563  -3.037   2.164
  101    H    VAL  17           H        VAL  17  -0.327  -2.359   0.973
  102    HA   VAL  17           HA       VAL  17  -1.897  -3.625   3.116
  103    HB   VAL  17           HB       VAL  17  -3.927  -3.316   1.796
  104   HG11  VAL  17          HG11      VAL  17  -3.390  -1.616   3.430
  105   HG12  VAL  17          HG12      VAL  17  -4.180  -0.889   2.032
  106   HG13  VAL  17          HG13      VAL  17  -2.435  -0.735   2.238
  107   HG21  VAL  17          HG21      VAL  17  -3.962  -1.882  -0.188
  108   HG22  VAL  17          HG22      VAL  17  -2.963  -3.314  -0.440
  109   HG23  VAL  17          HG23      VAL  17  -2.204  -1.754  -0.123
  110    H    SER  18           H        SER  18  -2.490  -5.642   2.876
  111    HA   SER  18           HA       SER  18  -1.103  -7.257   1.010
  112    HB2  SER  18           HB2      SER  18  -2.360  -9.088   2.111
  113    HB3  SER  18           HB3      SER  18  -1.561  -8.038   3.258
  114    HG   SER  18           HG       SER  18  -4.313  -8.090   2.579
  115    HA   PRO  19           HA       PRO  19  -3.385  -7.503  -2.683
  116    HB2  PRO  19           HB2      PRO  19  -3.981 -10.316  -1.826
  117    HB3  PRO  19           HB3      PRO  19  -3.540  -9.708  -3.428
  118    HG2  PRO  19           HG2      PRO  19  -1.707 -10.815  -1.854
  119    HG3  PRO  19           HG3      PRO  19  -1.321  -9.396  -2.846
  120    HD2  PRO  19           HD2      PRO  19  -1.649  -9.607   0.081
  121    HD3  PRO  19           HD3      PRO  19  -0.767  -8.406  -0.880
  122    H    LYS  20           H        LYS  20  -5.080  -9.074   0.040
  123    HA   LYS  20           HA       LYS  20  -7.639  -8.543  -1.265
  124    HB2  LYS  20           HB2      LYS  20  -7.036 -10.806  -0.283
  125    HB3  LYS  20           HB3      LYS  20  -7.180 -10.062   1.299
  126    HG2  LYS  20           HG2      LYS  20  -9.210 -11.257   0.721
  127    HG3  LYS  20           HG3      LYS  20  -9.519  -9.524   0.841
  128    HD2  LYS  20           HD2      LYS  20  -9.412  -9.332  -1.595
  129    HD3  LYS  20           HD3      LYS  20  -9.082 -11.061  -1.718
  130    HE2  LYS  20           HE2      LYS  20 -11.413 -10.663  -2.171
  131    HE3  LYS  20           HE3      LYS  20 -11.257 -11.512  -0.637
  132    HZ1  LYS  20           HZ1      LYS  20 -11.538  -9.391   0.509
  133    HZ2  LYS  20           HZ2      LYS  20 -12.869  -9.740  -0.475
  134    HZ3  LYS  20           HZ3      LYS  20 -11.726  -8.599  -0.974
  135    H    ILE  21           H        ILE  21  -6.372  -6.237  -0.353
  136    HA   ILE  21           HA       ILE  21  -8.165  -5.460   1.859
  137    HB   ILE  21           HB       ILE  21  -5.509  -4.243   1.084
  138   HG12  ILE  21          HG12      ILE  21  -5.310  -6.383   2.276
  139   HG13  ILE  21          HG13      ILE  21  -4.733  -5.041   3.253
  140   HG21  ILE  21          HG21      ILE  21  -7.386  -3.469   3.312
  141   HG22  ILE  21          HG22      ILE  21  -7.075  -2.535   1.850
  142   HG23  ILE  21          HG23      ILE  21  -5.786  -2.786   3.027
  143   HD11  ILE  21          HD11      ILE  21  -5.990  -6.588   4.609
  144   HD12  ILE  21          HD12      ILE  21  -7.377  -6.449   3.531
  145   HD13  ILE  21          HD13      ILE  21  -6.861  -5.059   4.486
  146    H    ARG  22           H        ARG  22  -9.504  -3.739   1.546
  147    HA   ARG  22           HA       ARG  22  -9.961  -2.813  -1.106
  148    HB2  ARG  22           HB2      ARG  22 -11.786  -3.116   0.487
  149    HB3  ARG  22           HB3      ARG  22 -11.075  -1.918   1.557
  150    HG2  ARG  22           HG2      ARG  22 -11.622  -0.996  -1.166
  151    HG3  ARG  22           HG3      ARG  22 -13.038  -1.409  -0.202
  152    HD2  ARG  22           HD2      ARG  22 -10.849   0.519   0.572
  153    HD3  ARG  22           HD3      ARG  22 -12.484   0.946   0.059
  154    HE   ARG  22           HE       ARG  22 -12.106  -0.725   2.439
  155   HH11  ARG  22          HH11      ARG  22 -13.162   2.284   0.997
  156   HH12  ARG  22          HH12      ARG  22 -13.939   2.844   2.441
  157   HH21  ARG  22          HH21      ARG  22 -13.123   0.011   4.334
  158   HH22  ARG  22          HH22      ARG  22 -13.914   1.554   4.339
  159    H    CYS  23           H        CYS  23  -8.846  -1.270  -2.089
  160    HA   CYS  23           HA       CYS  23  -7.293   0.601  -0.451
  161    HB2  CYS  23           HB2      CYS  23  -6.202  -0.889  -2.228
  162    HB3  CYS  23           HB3      CYS  23  -6.989   0.151  -3.412
  163    H    LEU  24           H        LEU  24  -7.509   2.769  -0.627
  164    HA   LEU  24           HA       LEU  24  -9.825   3.766  -2.078
  165    HB2  LEU  24           HB2      LEU  24  -8.105   4.783   0.119
  166    HB3  LEU  24           HB3      LEU  24  -8.906   5.964  -0.900
  167    HG   LEU  24           HG       LEU  24 -11.085   4.978  -0.338
  168   HD11  LEU  24          HD11      LEU  24  -9.503   3.181   1.489
  169   HD12  LEU  24          HD12      LEU  24 -10.398   2.681   0.058
  170   HD13  LEU  24          HD13      LEU  24 -11.259   3.323   1.457
  171   HD21  LEU  24          HD21      LEU  24 -10.205   6.822   0.984
  172   HD22  LEU  24          HD22      LEU  24  -9.409   5.678   2.065
  173   HD23  LEU  24          HD23      LEU  24 -11.169   5.731   1.976
  174    H    GLU  25           H        GLU  25  -6.394   4.710  -1.734
  175    HA   GLU  25           HA       GLU  25  -6.433   5.392  -4.594
  176    HB2  GLU  25           HB2      GLU  25  -6.589   7.466  -3.231
  177    HB3  GLU  25           HB3      GLU  25  -5.085   7.029  -2.438
  178    HG2  GLU  25           HG2      GLU  25  -4.587   8.645  -4.102
  179    HG3  GLU  25           HG3      GLU  25  -3.969   7.092  -4.661
  180    H    GLU  26           H        GLU  26  -5.132   3.910  -5.480
  181    HA   GLU  26           HA       GLU  26  -3.085   2.599  -4.018
  182    HB2  GLU  26           HB2      GLU  26  -3.582   2.673  -6.989
  183    HB3  GLU  26           HB3      GLU  26  -2.439   1.615  -6.184
  184    HG2  GLU  26           HG2      GLU  26  -4.280   0.584  -4.938
  185    HG3  GLU  26           HG3      GLU  26  -5.420   1.617  -5.798
  186    H    GLN  27           H        GLN  27  -0.996   2.939  -3.893
  187    HA   GLN  27           HA       GLN  27   0.164   5.221  -5.340
  188    HB2  GLN  27           HB2      GLN  27  -0.432   5.188  -2.661
  189    HB3  GLN  27           HB3      GLN  27   1.230   4.623  -2.658
  190    HG2  GLN  27           HG2      GLN  27   0.353   7.145  -4.027
  191    HG3  GLN  27           HG3      GLN  27   0.895   7.088  -2.354
  192   HE21  GLN  27          HE21      GLN  27   3.057   6.595  -1.912
  193   HE22  GLN  27          HE22      GLN  27   4.287   6.758  -3.110
  194    H    LEU  28           H        LEU  28   2.438   5.027  -5.722
  195    HA   LEU  28           HA       LEU  28   3.300   2.235  -5.814
  196    HB2  LEU  28           HB2      LEU  28   5.066   3.257  -7.427
  197    HB3  LEU  28           HB3      LEU  28   3.432   2.961  -7.979
  198    HG   LEU  28           HG       LEU  28   2.987   5.431  -7.446
  199   HD11  LEU  28          HD11      LEU  28   4.947   5.890  -6.115
  200   HD12  LEU  28          HD12      LEU  28   4.963   6.884  -7.571
  201   HD13  LEU  28          HD13      LEU  28   5.997   5.460  -7.465
  202   HD21  LEU  28          HD21      LEU  28   4.867   4.657  -9.667
  203   HD22  LEU  28          HD22      LEU  28   3.902   6.132  -9.612
  204   HD23  LEU  28          HD23      LEU  28   3.107   4.561  -9.700
  205    H    GLY  29           H        GLY  29   5.091   1.528  -4.837
  206    HA2  GLY  29           HA2      GLY  29   7.130   3.207  -3.792
  207    HA3  GLY  29           HA3      GLY  29   5.984   2.763  -2.533
  208    H    LEU  30           H        LEU  30   8.066   1.783  -1.711
  209    HA   LEU  30           HA       LEU  30   8.490  -0.870  -2.892
  210    HB2  LEU  30           HB2      LEU  30  10.242   0.969  -1.339
  211    HB3  LEU  30           HB3      LEU  30  10.519  -0.750  -1.206
  212    HG   LEU  30           HG       LEU  30  12.007   0.219  -2.848
  213   HD11  LEU  30          HD11      LEU  30   9.872  -1.432  -4.183
  214   HD12  LEU  30          HD12      LEU  30  11.207  -2.058  -3.217
  215   HD13  LEU  30          HD13      LEU  30  11.533  -1.222  -4.735
  216   HD21  LEU  30          HD21      LEU  30  10.544   2.130  -3.436
  217   HD22  LEU  30          HD22      LEU  30   9.559   1.027  -4.401
  218   HD23  LEU  30          HD23      LEU  30  11.246   1.311  -4.835
  219    H    CYS  31           H        CYS  31   6.905  -2.057  -1.968
  220    HA   CYS  31           HA       CYS  31   6.958  -2.318   0.957
  221    HB2  CYS  31           HB2      CYS  31   4.990  -3.403  -1.073
  222    HB3  CYS  31           HB3      CYS  31   4.897  -3.667   0.663
  223    HA   PRO  32           HA       PRO  32   9.078  -6.123  -0.062
  224    HB2  PRO  32           HB2      PRO  32  10.214  -6.560   2.303
  225    HB3  PRO  32           HB3      PRO  32  10.692  -5.160   1.337
  226    HG2  PRO  32           HG2      PRO  32   8.996  -5.291   3.776
  227    HG3  PRO  32           HG3      PRO  32  10.068  -3.988   3.223
  228    HD2  PRO  32           HD2      PRO  32   7.234  -4.194   2.878
  229    HD3  PRO  32           HD3      PRO  32   8.305  -2.938   2.233
  230    H    LEU  33           H        LEU  33   7.363  -7.492  -0.409
  231    HA   LEU  33           HA       LEU  33   6.859  -9.595   1.343
  232    HB2  LEU  33           HB2      LEU  33   4.733  -7.447   1.294
  233    HB3  LEU  33           HB3      LEU  33   4.324  -9.116   1.580
  234    HG   LEU  33           HG       LEU  33   6.067  -7.378   3.312
  235   HD11  LEU  33          HD11      LEU  33   3.396  -8.653   3.828
  236   HD12  LEU  33          HD12      LEU  33   3.703  -6.937   3.560
  237   HD13  LEU  33          HD13      LEU  33   4.349  -7.736   4.995
  238   HD21  LEU  33          HD21      LEU  33   7.024  -9.551   3.359
  239   HD22  LEU  33          HD22      LEU  33   5.439 -10.311   3.524
  240   HD23  LEU  33          HD23      LEU  33   6.096  -9.342   4.844
  241    H    LYS  34           H        LYS  34   4.098 -10.051   0.257
  242    HA   LYS  34           HA       LYS  34   4.898 -11.019  -2.316
  243    HB2  LYS  34           HB2      LYS  34   2.218 -11.045  -0.931
  244    HB3  LYS  34           HB3      LYS  34   2.562 -11.855  -2.452
  245    HG2  LYS  34           HG2      LYS  34   4.264 -13.228  -1.320
  246    HG3  LYS  34           HG3      LYS  34   3.832 -12.461   0.207
  247    HD2  LYS  34           HD2      LYS  34   1.971 -14.069  -1.541
  248    HD3  LYS  34           HD3      LYS  34   2.741 -14.645  -0.062
  249    HE2  LYS  34           HE2      LYS  34   1.574 -12.906   1.210
  250    HE3  LYS  34           HE3      LYS  34   0.798 -12.344  -0.267
  251    HZ1  LYS  34           HZ1      LYS  34  -0.261 -14.515  -0.472
  252    HZ2  LYS  34           HZ2      LYS  34  -0.672 -13.764   0.984
  253    HZ3  LYS  34           HZ3      LYS  34   0.459 -15.017   0.972
  254    H    ARG  35           H        ARG  35   1.803 -10.363  -2.866
  255    HA   ARG  35           HA       ARG  35   2.421  -8.352  -4.813
  256    HB2  ARG  35           HB2      ARG  35  -0.100  -9.869  -4.176
  257    HB3  ARG  35           HB3      ARG  35   0.003  -8.674  -5.457
  258    HG2  ARG  35           HG2      ARG  35   1.947 -10.928  -5.385
  259    HG3  ARG  35           HG3      ARG  35   0.310 -11.202  -5.980
  260    HD2  ARG  35           HD2      ARG  35   1.919 -10.670  -7.777
  261    HD3  ARG  35           HD3      ARG  35   0.592  -9.520  -7.679
  262    HE   ARG  35           HE       ARG  35   2.119  -7.944  -6.676
  263   HH11  ARG  35          HH11      ARG  35   3.581 -10.771  -8.130
  264   HH12  ARG  35          HH12      ARG  35   5.125 -10.017  -8.353
  265   HH21  ARG  35          HH21      ARG  35   4.155  -6.941  -6.980
  266   HH22  ARG  35          HH22      ARG  35   5.454  -7.839  -7.701
  267    H    TRP  36           H        TRP  36   2.696  -7.355  -2.214
  268    HA   TRP  36           HA       TRP  36   0.290  -6.148  -1.275
  269    HB2  TRP  36           HB2      TRP  36   3.182  -5.979  -0.494
  270    HB3  TRP  36           HB3      TRP  36   1.990  -4.902   0.228
  271    HD1  TRP  36           HD1      TRP  36   2.010  -8.747  -0.423
  272    HE1  TRP  36           HE1      TRP  36   1.243  -9.898   1.745
  273    HE3  TRP  36           HE3      TRP  36   1.362  -4.611   2.502
  274    HZ2  TRP  36           HZ2      TRP  36   0.458  -9.139   4.360
  275    HZ3  TRP  36           HZ3      TRP  36   0.590  -4.913   4.794
  276    HH2  TRP  36           HH2      TRP  36   0.154  -7.121   5.713
  277    H    THR  37           H        THR  37  -0.534  -4.258  -1.629
  278    HA   THR  37           HA       THR  37   0.687  -2.482  -3.604
  279    HB   THR  37           HB       THR  37  -2.101  -2.583  -2.416
  280    HG1  THR  37           HG1      THR  37  -0.982  -3.540  -4.848
  281   HG21  THR  37          HG21      THR  37  -1.590  -0.318  -3.118
  282   HG22  THR  37          HG22      THR  37  -2.735  -1.054  -4.241
  283   HG23  THR  37          HG23      THR  37  -1.036  -0.906  -4.684
  284    H    CYS  38           H        CYS  38   1.022  -0.228  -3.178
  285    HA   CYS  38           HA       CYS  38   1.184   0.442  -0.339
  286    HB2  CYS  38           HB2      CYS  38   1.956   2.145  -2.718
  287    HB3  CYS  38           HB3      CYS  38   2.453   2.362  -1.044
  288    H    CYS  39           H        CYS  39  -0.716   1.122   0.519
  289    HA   CYS  39           HA       CYS  39  -2.629   2.372  -1.317
  290    HB2  CYS  39           HB2      CYS  39  -3.122   0.348   0.279
  291    HB3  CYS  39           HB3      CYS  39  -3.321   1.618   1.476
  292    H    LYS  40           H        LYS  40  -2.809   4.477  -1.310
  293    HA   LYS  40           HA       LYS  40  -1.993   6.028   0.984
  294    HB2  LYS  40           HB2      LYS  40  -1.904   6.676  -1.576
  295    HB3  LYS  40           HB3      LYS  40  -3.549   7.223  -1.274
  296    HG2  LYS  40           HG2      LYS  40  -1.162   8.123   0.328
  297    HG3  LYS  40           HG3      LYS  40  -1.805   8.995  -1.063
  298    HD2  LYS  40           HD2      LYS  40  -3.817   9.481   0.036
  299    HD3  LYS  40           HD3      LYS  40  -3.528   8.258   1.269
  300    HE2  LYS  40           HE2      LYS  40  -1.817  10.711   0.942
  301    HE3  LYS  40           HE3      LYS  40  -3.220  10.650   2.006
  302    HZ1  LYS  40           HZ1      LYS  40  -0.788   8.950   2.206
  303    HZ2  LYS  40           HZ2      LYS  40  -2.158   8.795   3.194
  304    HZ3  LYS  40           HZ3      LYS  40  -1.224  10.208   3.250
  305    H    GLU  41           H        GLU  41  -3.217   5.434   2.608
  306    HA   GLU  41           HA       GLU  41  -4.843   5.497   4.118
  307    HB2  GLU  41           HB2      GLU  41  -6.435   7.129   2.143
  308    HB3  GLU  41           HB3      GLU  41  -6.813   6.889   3.838
  309    HG2  GLU  41           HG2      GLU  41  -4.662   8.532   2.607
  310    HG3  GLU  41           HG3      GLU  41  -5.849   8.973   3.823
  311    H    ILE  42           H        ILE  42  -6.972   4.696   4.647
  312    HA   ILE  42           HA       ILE  42  -8.110   2.823   2.717
  313    HB   ILE  42           HB       ILE  42  -8.160   1.100   4.615
  314   HG12  ILE  42          HG12      ILE  42  -5.925   2.899   5.578
  315   HG13  ILE  42          HG13      ILE  42  -7.432   2.565   6.418
  316   HG21  ILE  42          HG21      ILE  42  -6.895   0.770   2.591
  317   HG22  ILE  42          HG22      ILE  42  -5.957   0.212   3.977
  318   HG23  ILE  42          HG23      ILE  42  -5.576   1.759   3.220
  319   HD11  ILE  42          HD11      ILE  42  -5.190   0.633   5.889
  320   HD12  ILE  42          HD12      ILE  42  -6.732   0.206   6.635
  321   HD13  ILE  42          HD13      ILE  42  -5.645   1.341   7.437
  Start of MODEL   10
    1    H1   ASP   1           H1       ASP   1  17.501  -7.014  -1.198
    2    H2   ASP   1           H2       ASP   1  18.782  -7.089  -2.295
    3    H3   ASP   1           H3       ASP   1  17.385  -6.223  -2.688
    4    HA   ASP   1           HA       ASP   1  19.183  -4.746  -2.075
    5    HB2  ASP   1           HB2      ASP   1  17.969  -3.474  -0.321
    6    HB3  ASP   1           HB3      ASP   1  16.914  -3.998  -1.629
    7    H    THR   2           H        THR   2  20.812  -4.165  -0.715
    8    HA   THR   2           HA       THR   2  21.656  -6.144   1.231
    9    HB   THR   2           HB       THR   2  23.039  -3.583   0.404
   10    HG1  THR   2           HG1      THR   2  23.226  -6.230  -0.655
   11   HG21  THR   2          HG21      THR   2  25.070  -4.706   1.189
   12   HG22  THR   2          HG22      THR   2  24.111  -6.101   1.681
   13   HG23  THR   2          HG23      THR   2  23.887  -4.550   2.488
   14    H    THR   3           H        THR   3  20.134  -3.104   1.103
   15    HA   THR   3           HA       THR   3  19.665  -3.056   3.922
   16    HB   THR   3           HB       THR   3  21.930  -2.037   3.827
   17    HG1  THR   3           HG1      THR   3  20.702  -1.264   5.486
   18   HG21  THR   3          HG21      THR   3  20.597   0.081   2.138
   19   HG22  THR   3          HG22      THR   3  21.826  -1.061   1.595
   20   HG23  THR   3          HG23      THR   3  22.232   0.167   2.793
   21    H    SER   4           H        SER   4  18.121  -1.306   4.460
   22    HA   SER   4           HA       SER   4  16.316  -0.945   2.268
   23    HB2  SER   4           HB2      SER   4  15.486  -1.503   4.517
   24    HB3  SER   4           HB3      SER   4  16.095   0.033   5.123
   25    HG   SER   4           HG       SER   4  14.327   0.912   4.438
   26    H    ASP   5           H        ASP   5  17.227   0.412   0.853
   27    HA   ASP   5           HA       ASP   5  16.914   3.221   1.518
   28    HB2  ASP   5           HB2      ASP   5  19.288   3.042   1.783
   29    HB3  ASP   5           HB3      ASP   5  19.441   2.045   0.342
   30    H    PHE   6           H        PHE   6  15.174   3.401   0.284
   31    HA   PHE   6           HA       PHE   6  15.306   3.591  -2.501
   32    HB2  PHE   6           HB2      PHE   6  13.585   1.624  -2.837
   33    HB3  PHE   6           HB3      PHE   6  15.311   1.297  -2.859
   34    HD1  PHE   6           HD1      PHE   6  15.829  -0.702  -1.892
   35    HD2  PHE   6           HD2      PHE   6  12.728   1.639  -0.157
   36    HE1  PHE   6           HE1      PHE   6  15.529  -2.403  -0.146
   37    HE2  PHE   6           HE2      PHE   6  12.425  -0.059   1.591
   38    HZ   PHE   6           HZ       PHE   6  13.818  -2.091   1.597
   39    H    HIS   7           H        HIS   7  12.784   3.466  -3.309
   40    HA   HIS   7           HA       HIS   7  11.523   5.393  -1.538
   41    HB2  HIS   7           HB2      HIS   7  10.891   4.450  -4.332
   42    HB3  HIS   7           HB3      HIS   7   9.800   5.500  -3.431
   43    HD1  HIS   7           HD1      HIS   7  11.847   5.971  -6.061
   44    HD2  HIS   7           HD2      HIS   7  11.915   7.647  -2.255
   45    HE1  HIS   7           HE1      HIS   7  13.109   8.131  -6.298
   46    HE2  HIS   7           HE2      HIS   7  12.955   9.214  -4.032
   47    H    THR   8           H        THR   8  10.715   4.332   0.163
   48    HA   THR   8           HA       THR   8   9.366   1.842  -0.017
   49    HB   THR   8           HB       THR   8   8.632   2.485   2.368
   50    HG1  THR   8           HG1      THR   8   9.582   4.263   3.252
   51   HG21  THR   8          HG21      THR   8  11.571   2.349   1.683
   52   HG22  THR   8          HG22      THR   8  10.489   0.970   1.884
   53   HG23  THR   8          HG23      THR   8  10.865   2.004   3.262
   54    H    CYS   9           H        CYS   9   7.111   1.912   1.327
   55    HA   CYS   9           HA       CYS   9   5.339   3.392  -0.451
   56    HB2  CYS   9           HB2      CYS   9   4.831   1.239   1.618
   57    HB3  CYS   9           HB3      CYS   9   3.553   2.019   0.689
   58    H    GLN  10           H        GLN  10   5.190   2.683   3.037
   59    HA   GLN  10           HA       GLN  10   3.732   5.108   3.500
   60    HB2  GLN  10           HB2      GLN  10   4.101   4.394   5.958
   61    HB3  GLN  10           HB3      GLN  10   3.083   3.389   4.944
   62    HG2  GLN  10           HG2      GLN  10   5.216   2.021   4.521
   63    HG3  GLN  10           HG3      GLN  10   5.856   2.864   5.930
   64   HE21  GLN  10          HE21      GLN  10   5.283   0.036   5.538
   65   HE22  GLN  10          HE22      GLN  10   4.162  -0.402   6.779
   66    H    ASP  11           H        ASP  11   4.781   6.895   3.260
   67    HA   ASP  11           HA       ASP  11   6.690   8.077   4.737
   68    HB2  ASP  11           HB2      ASP  11   8.202   6.145   4.089
   69    HB3  ASP  11           HB3      ASP  11   8.103   6.702   2.422
   70    H    LYS  12           H        LYS  12   6.226   7.314   1.274
   71    HA   LYS  12           HA       LYS  12   6.101  10.176   0.663
   72    HB2  LYS  12           HB2      LYS  12   5.952   7.772  -1.165
   73    HB3  LYS  12           HB3      LYS  12   6.033   9.443  -1.685
   74    HG2  LYS  12           HG2      LYS  12   8.144   8.460  -1.987
   75    HG3  LYS  12           HG3      LYS  12   8.290   9.587  -0.647
   76    HD2  LYS  12           HD2      LYS  12   8.164   7.712   0.904
   77    HD3  LYS  12           HD3      LYS  12   7.988   6.592  -0.446
   78    HE2  LYS  12           HE2      LYS  12  10.273   6.562   0.274
   79    HE3  LYS  12           HE3      LYS  12  10.188   7.362  -1.293
   80    HZ1  LYS  12           HZ1      LYS  12  10.307   9.498  -0.179
   81    HZ2  LYS  12           HZ2      LYS  12  11.637   8.543   0.247
   82    HZ3  LYS  12           HZ3      LYS  12  10.350   8.739   1.335
   83    H    GLY  13           H        GLY  13   4.149   7.272   0.668
   84    HA2  GLY  13           HA2      GLY  13   1.805   8.911  -0.048
   85    HA3  GLY  13           HA3      GLY  13   2.048   7.305  -0.708
   86    H    GLY  14           H        GLY  14   1.234   5.644   0.308
   87    HA2  GLY  14           HA2      GLY  14   0.189   6.081   3.020
   88    HA3  GLY  14           HA3      GLY  14  -0.713   5.214   1.788
   89    H    HIS  15           H        HIS  15  -0.765   3.539   3.463
   90    HA   HIS  15           HA       HIS  15   1.781   2.313   4.166
   91    HB2  HIS  15           HB2      HIS  15   0.566   1.157   5.865
   92    HB3  HIS  15           HB3      HIS  15  -0.007   2.814   5.871
   93    HD1  HIS  15           HD1      HIS  15  -1.362  -0.262   6.461
   94    HD2  HIS  15           HD2      HIS  15  -2.407   2.731   3.772
   95    HE1  HIS  15           HE1      HIS  15  -3.775  -0.675   5.894
   96    HE2  HIS  15           HE2      HIS  15  -4.343   1.065   4.170
   97    H    CYS  16           H        CYS  16   1.995  -0.030   4.110
   98    HA   CYS  16           HA       CYS  16   1.306  -1.025   1.514
   99    HB2  CYS  16           HB2      CYS  16   2.712  -2.374   3.832
  100    HB3  CYS  16           HB3      CYS  16   2.622  -2.994   2.185
  101    H    VAL  17           H        VAL  17  -0.407  -2.186   0.997
  102    HA   VAL  17           HA       VAL  17  -1.848  -3.578   3.160
  103    HB   VAL  17           HB       VAL  17  -3.921  -3.288   1.925
  104   HG11  VAL  17          HG11      VAL  17  -4.210  -0.874   2.178
  105   HG12  VAL  17          HG12      VAL  17  -2.460  -0.675   2.275
  106   HG13  VAL  17          HG13      VAL  17  -3.317  -1.571   3.529
  107   HG21  VAL  17          HG21      VAL  17  -2.295  -1.712  -0.072
  108   HG22  VAL  17          HG22      VAL  17  -4.054  -1.856  -0.064
  109   HG23  VAL  17          HG23      VAL  17  -3.053  -3.281  -0.352
  110    H    SER  18           H        SER  18  -2.379  -5.613   2.901
  111    HA   SER  18           HA       SER  18  -0.936  -7.172   1.045
  112    HB2  SER  18           HB2      SER  18  -2.066  -9.050   2.101
  113    HB3  SER  18           HB3      SER  18  -1.516  -7.920   3.321
  114    HG   SER  18           HG       SER  18  -3.520  -7.411   3.810
  115    HA   PRO  19           HA       PRO  19  -3.496  -7.299  -2.506
  116    HB2  PRO  19           HB2      PRO  19  -3.298  -9.921  -3.258
  117    HB3  PRO  19           HB3      PRO  19  -2.024  -8.721  -3.503
  118    HG2  PRO  19           HG2      PRO  19  -2.334 -10.720  -1.289
  119    HG3  PRO  19           HG3      PRO  19  -0.887 -10.320  -2.236
  120    HD2  PRO  19           HD2      PRO  19  -1.223  -9.307   0.202
  121    HD3  PRO  19           HD3      PRO  19  -0.561  -8.308  -1.109
  122    H    LYS  20           H        LYS  20  -4.922  -7.770   0.033
  123    HA   LYS  20           HA       LYS  20  -7.303  -9.013  -1.123
  124    HB2  LYS  20           HB2      LYS  20  -6.138 -10.727   0.266
  125    HB3  LYS  20           HB3      LYS  20  -6.268  -9.655   1.650
  126    HG2  LYS  20           HG2      LYS  20  -8.681  -9.807   1.585
  127    HG3  LYS  20           HG3      LYS  20  -8.600 -10.800   0.129
  128    HD2  LYS  20           HD2      LYS  20  -7.354 -11.570   2.763
  129    HD3  LYS  20           HD3      LYS  20  -8.962 -12.079   2.250
  130    HE2  LYS  20           HE2      LYS  20  -6.397 -12.651   0.764
  131    HE3  LYS  20           HE3      LYS  20  -7.236 -13.789   1.814
  132    HZ1  LYS  20           HZ1      LYS  20  -9.145 -13.687   0.338
  133    HZ2  LYS  20           HZ2      LYS  20  -7.768 -14.176  -0.505
  134    HZ3  LYS  20           HZ3      LYS  20  -8.341 -12.596  -0.673
  135    H    ILE  21           H        ILE  21  -5.857  -6.432   0.203
  136    HA   ILE  21           HA       ILE  21  -8.057  -5.552   1.911
  137    HB   ILE  21           HB       ILE  21  -5.439  -4.190   1.266
  138   HG12  ILE  21          HG12      ILE  21  -5.081  -6.264   2.509
  139   HG13  ILE  21          HG13      ILE  21  -4.744  -4.868   3.526
  140   HG21  ILE  21          HG21      ILE  21  -7.160  -2.597   1.911
  141   HG22  ILE  21          HG22      ILE  21  -5.944  -2.742   3.180
  142   HG23  ILE  21          HG23      ILE  21  -7.507  -3.538   3.362
  143   HD11  ILE  21          HD11      ILE  21  -6.927  -5.124   4.589
  144   HD12  ILE  21          HD12      ILE  21  -5.934  -6.572   4.757
  145   HD13  ILE  21          HD13      ILE  21  -7.246  -6.535   3.580
  146    H    ARG  22           H        ARG  22  -9.527  -4.070   1.300
  147    HA   ARG  22           HA       ARG  22  -9.682  -3.153  -1.379
  148    HB2  ARG  22           HB2      ARG  22 -11.638  -3.563   0.133
  149    HB3  ARG  22           HB3      ARG  22 -11.169  -2.142   1.053
  150    HG2  ARG  22           HG2      ARG  22 -11.619  -1.865  -1.864
  151    HG3  ARG  22           HG3      ARG  22 -13.013  -2.019  -0.798
  152    HD2  ARG  22           HD2      ARG  22 -10.818   0.026  -0.477
  153    HD3  ARG  22           HD3      ARG  22 -12.370   0.333  -1.260
  154    HE   ARG  22           HE       ARG  22 -12.204  -0.535   1.551
  155   HH11  ARG  22          HH11      ARG  22 -13.331   1.700  -0.896
  156   HH12  ARG  22          HH12      ARG  22 -14.322   2.599   0.205
  157   HH21  ARG  22          HH21      ARG  22 -13.494   0.661   3.003
  158   HH22  ARG  22          HH22      ARG  22 -14.401   2.021   2.423
  159    H    CYS  23           H        CYS  23  -8.814  -1.392  -2.273
  160    HA   CYS  23           HA       CYS  23  -7.340   0.434  -0.516
  161    HB2  CYS  23           HB2      CYS  23  -6.212  -0.848  -2.435
  162    HB3  CYS  23           HB3      CYS  23  -7.081   0.244  -3.510
  163    H    LEU  24           H        LEU  24  -7.507   2.675  -0.760
  164    HA   LEU  24           HA       LEU  24  -9.954   3.588  -2.079
  165    HB2  LEU  24           HB2      LEU  24  -8.298   4.597   0.164
  166    HB3  LEU  24           HB3      LEU  24  -9.077   5.802  -0.844
  167    HG   LEU  24           HG       LEU  24 -10.396   5.222   1.165
  168   HD11  LEU  24          HD11      LEU  24 -12.529   4.920   0.033
  169   HD12  LEU  24          HD12      LEU  24 -11.693   4.410  -1.431
  170   HD13  LEU  24          HD13      LEU  24 -11.508   6.060  -0.841
  171   HD21  LEU  24          HD21      LEU  24  -9.758   2.876   1.361
  172   HD22  LEU  24          HD22      LEU  24 -10.629   2.507  -0.123
  173   HD23  LEU  24          HD23      LEU  24 -11.508   3.057   1.303
  174    H    GLU  25           H        GLU  25  -6.591   4.767  -1.704
  175    HA   GLU  25           HA       GLU  25  -6.691   5.425  -4.572
  176    HB2  GLU  25           HB2      GLU  25  -6.856   7.487  -3.230
  177    HB3  GLU  25           HB3      GLU  25  -5.357   7.072  -2.415
  178    HG2  GLU  25           HG2      GLU  25  -4.144   7.250  -4.511
  179    HG3  GLU  25           HG3      GLU  25  -5.648   7.606  -5.360
  180    H    GLU  26           H        GLU  26  -5.402   3.986  -5.521
  181    HA   GLU  26           HA       GLU  26  -3.280   2.696  -4.128
  182    HB2  GLU  26           HB2      GLU  26  -3.989   2.700  -7.062
  183    HB3  GLU  26           HB3      GLU  26  -2.731   1.707  -6.340
  184    HG2  GLU  26           HG2      GLU  26  -4.398   0.598  -4.944
  185    HG3  GLU  26           HG3      GLU  26  -5.662   1.586  -5.677
  186    H    GLN  27           H        GLN  27  -1.281   3.259  -3.913
  187    HA   GLN  27           HA       GLN  27  -0.153   5.363  -5.624
  188    HB2  GLN  27           HB2      GLN  27  -0.149   6.628  -3.765
  189    HB3  GLN  27           HB3      GLN  27  -0.601   5.270  -2.754
  190    HG2  GLN  27           HG2      GLN  27   1.377   5.881  -1.819
  191    HG3  GLN  27           HG3      GLN  27   1.924   4.663  -2.961
  192   HE21  GLN  27          HE21      GLN  27   3.379   6.862  -1.780
  193   HE22  GLN  27          HE22      GLN  27   3.955   7.826  -3.090
  194    H    LEU  28           H        LEU  28   2.237   5.265  -5.754
  195    HA   LEU  28           HA       LEU  28   3.041   2.453  -5.774
  196    HB2  LEU  28           HB2      LEU  28   4.859   3.326  -7.366
  197    HB3  LEU  28           HB3      LEU  28   3.224   3.123  -7.952
  198    HG   LEU  28           HG       LEU  28   2.908   5.611  -7.579
  199   HD11  LEU  28          HD11      LEU  28   5.913   5.536  -7.362
  200   HD12  LEU  28          HD12      LEU  28   4.793   6.004  -6.082
  201   HD13  LEU  28          HD13      LEU  28   4.924   6.984  -7.543
  202   HD21  LEU  28          HD21      LEU  28   4.099   6.157  -9.664
  203   HD22  LEU  28          HD22      LEU  28   3.182   4.652  -9.756
  204   HD23  LEU  28          HD23      LEU  28   4.933   4.606  -9.553
  205    H    GLY  29           H        GLY  29   4.954   1.778  -5.023
  206    HA2  GLY  29           HA2      GLY  29   6.884   3.373  -3.728
  207    HA3  GLY  29           HA3      GLY  29   5.699   2.820  -2.550
  208    H    LEU  30           H        LEU  30   7.721   1.738  -1.711
  209    HA   LEU  30           HA       LEU  30   7.987  -0.857  -3.033
  210    HB2  LEU  30           HB2      LEU  30  10.008   0.548  -2.977
  211    HB3  LEU  30           HB3      LEU  30   9.980   0.477  -1.240
  212    HG   LEU  30           HG       LEU  30   9.988  -2.093  -2.721
  213   HD11  LEU  30          HD11      LEU  30  12.436  -2.035  -2.836
  214   HD12  LEU  30          HD12      LEU  30  12.412  -0.343  -2.343
  215   HD13  LEU  30          HD13      LEU  30  11.698  -0.824  -3.883
  216   HD21  LEU  30          HD21      LEU  30  11.294  -1.086  -0.211
  217   HD22  LEU  30          HD22      LEU  30  11.246  -2.766  -0.761
  218   HD23  LEU  30          HD23      LEU  30   9.753  -1.937  -0.300
  219    H    CYS  31           H        CYS  31   6.856  -2.256  -2.080
  220    HA   CYS  31           HA       CYS  31   6.872  -2.416   0.862
  221    HB2  CYS  31           HB2      CYS  31   4.807  -3.507  -1.064
  222    HB3  CYS  31           HB3      CYS  31   4.783  -3.708   0.684
  223    HA   PRO  32           HA       PRO  32   9.019  -6.142  -0.272
  224    HB2  PRO  32           HB2      PRO  32  10.230  -6.598   2.038
  225    HB3  PRO  32           HB3      PRO  32  10.613  -5.138   1.118
  226    HG2  PRO  32           HG2      PRO  32   8.904  -5.457   3.549
  227    HG3  PRO  32           HG3      PRO  32  10.003  -4.129   3.118
  228    HD2  PRO  32           HD2      PRO  32   7.200  -4.200   2.732
  229    HD3  PRO  32           HD3      PRO  32   8.330  -3.013   2.049
  230    H    LEU  33           H        LEU  33   7.251  -7.582  -0.601
  231    HA   LEU  33           HA       LEU  33   7.133  -9.704   1.255
  232    HB2  LEU  33           HB2      LEU  33   4.790  -7.839   1.210
  233    HB3  LEU  33           HB3      LEU  33   4.522  -9.555   1.435
  234    HG   LEU  33           HG       LEU  33   6.140  -7.739   3.220
  235   HD11  LEU  33          HD11      LEU  33   3.748  -7.485   3.507
  236   HD12  LEU  33          HD12      LEU  33   4.469  -8.285   4.903
  237   HD13  LEU  33          HD13      LEU  33   3.575  -9.229   3.710
  238   HD21  LEU  33          HD21      LEU  33   6.282  -9.772   4.678
  239   HD22  LEU  33          HD22      LEU  33   7.267  -9.802   3.220
  240   HD23  LEU  33          HD23      LEU  33   5.755 -10.712   3.280
  241    H    LYS  34           H        LYS  34   4.324  -8.801  -0.689
  242    HA   LYS  34           HA       LYS  34   5.148 -10.734  -2.724
  243    HB2  LYS  34           HB2      LYS  34   2.515 -10.720  -1.253
  244    HB3  LYS  34           HB3      LYS  34   2.859 -11.710  -2.668
  245    HG2  LYS  34           HG2      LYS  34   4.799 -12.659  -1.319
  246    HG3  LYS  34           HG3      LYS  34   4.046 -11.897   0.078
  247    HD2  LYS  34           HD2      LYS  34   2.019 -13.172  -0.269
  248    HD3  LYS  34           HD3      LYS  34   2.683 -13.881  -1.741
  249    HE2  LYS  34           HE2      LYS  34   4.449 -14.946  -0.428
  250    HE3  LYS  34           HE3      LYS  34   3.789 -14.234   1.042
  251    HZ1  LYS  34           HZ1      LYS  34   2.371 -16.157  -0.721
  252    HZ2  LYS  34           HZ2      LYS  34   1.761 -15.489   0.708
  253    HZ3  LYS  34           HZ3      LYS  34   3.091 -16.532   0.761
  254    H    ARG  35           H        ARG  35   1.969  -9.317  -2.286
  255    HA   ARG  35           HA       ARG  35   2.346  -7.759  -4.735
  256    HB2  ARG  35           HB2      ARG  35   0.098  -9.501  -3.861
  257    HB3  ARG  35           HB3      ARG  35  -0.272  -8.075  -4.816
  258    HG2  ARG  35           HG2      ARG  35   1.488  -8.953  -6.448
  259    HG3  ARG  35           HG3      ARG  35   1.324 -10.478  -5.572
  260    HD2  ARG  35           HD2      ARG  35  -0.149 -10.289  -7.583
  261    HD3  ARG  35           HD3      ARG  35  -1.011 -10.599  -6.076
  262    HE   ARG  35           HE       ARG  35  -0.820  -7.799  -6.703
  263   HH11  ARG  35          HH11      ARG  35  -2.642 -10.731  -7.298
  264   HH12  ARG  35          HH12      ARG  35  -4.100  -9.890  -7.724
  265   HH21  ARG  35          HH21      ARG  35  -2.751  -6.695  -7.239
  266   HH22  ARG  35          HH22      ARG  35  -4.165  -7.602  -7.675
  267    H    TRP  36           H        TRP  36   2.838  -6.784  -2.145
  268    HA   TRP  36           HA       TRP  36   0.458  -5.652  -1.060
  269    HB2  TRP  36           HB2      TRP  36   3.368  -5.519  -0.354
  270    HB3  TRP  36           HB3      TRP  36   2.180  -4.510   0.474
  271    HD1  TRP  36           HD1      TRP  36   2.315  -8.314  -0.440
  272    HE1  TRP  36           HE1      TRP  36   1.530  -9.621   1.634
  273    HE3  TRP  36           HE3      TRP  36   1.428  -4.391   2.697
  274    HZ2  TRP  36           HZ2      TRP  36   0.647  -9.045   4.262
  275    HZ3  TRP  36           HZ3      TRP  36   0.614  -4.852   4.942
  276    HH2  TRP  36           HH2      TRP  36   0.234  -7.119   5.715
  277    H    THR  37           H        THR  37  -0.486  -3.904  -1.596
  278    HA   THR  37           HA       THR  37   0.726  -2.089  -3.514
  279    HB   THR  37           HB       THR  37  -2.086  -2.208  -2.395
  280    HG1  THR  37           HG1      THR  37  -1.232  -3.998  -3.787
  281   HG21  THR  37          HG21      THR  37  -1.585   0.020  -3.211
  282   HG22  THR  37          HG22      THR  37  -2.680  -0.793  -4.331
  283   HG23  THR  37          HG23      THR  37  -0.967  -0.646  -4.724
  284    H    CYS  38           H        CYS  38   1.069   0.116  -3.126
  285    HA   CYS  38           HA       CYS  38   1.227   0.884  -0.333
  286    HB2  CYS  38           HB2      CYS  38   1.847   2.588  -2.746
  287    HB3  CYS  38           HB3      CYS  38   2.487   2.743  -1.110
  288    H    CYS  39           H        CYS  39  -0.905   1.086   0.314
  289    HA   CYS  39           HA       CYS  39  -2.775   2.473  -1.396
  290    HB2  CYS  39           HB2      CYS  39  -3.196   0.447   0.220
  291    HB3  CYS  39           HB3      CYS  39  -3.414   1.724   1.406
  292    H    LYS  40           H        LYS  40  -2.799   4.581  -1.431
  293    HA   LYS  40           HA       LYS  40  -2.047   6.203   0.798
  294    HB2  LYS  40           HB2      LYS  40  -1.850   7.091  -1.472
  295    HB3  LYS  40           HB3      LYS  40  -3.584   6.928  -1.705
  296    HG2  LYS  40           HG2      LYS  40  -3.011   9.233  -1.260
  297    HG3  LYS  40           HG3      LYS  40  -3.969   8.582   0.070
  298    HD2  LYS  40           HD2      LYS  40  -1.866   8.180   1.324
  299    HD3  LYS  40           HD3      LYS  40  -0.976   8.960   0.016
  300    HE2  LYS  40           HE2      LYS  40  -3.112  10.238   1.719
  301    HE3  LYS  40           HE3      LYS  40  -1.376  10.500   1.871
  302    HZ1  LYS  40           HZ1      LYS  40  -1.395  11.382  -0.412
  303    HZ2  LYS  40           HZ2      LYS  40  -2.349  12.292   0.649
  304    HZ3  LYS  40           HZ3      LYS  40  -3.081  11.232  -0.445
  305    H    GLU  41           H        GLU  41  -3.215   5.501   2.504
  306    HA   GLU  41           HA       GLU  41  -4.853   5.477   4.036
  307    HB2  GLU  41           HB2      GLU  41  -6.358   7.277   2.139
  308    HB3  GLU  41           HB3      GLU  41  -6.733   6.995   3.831
  309    HG2  GLU  41           HG2      GLU  41  -4.229   8.291   2.783
  310    HG3  GLU  41           HG3      GLU  41  -5.597   9.121   3.524
  311    H    ILE  42           H        ILE  42  -6.963   4.615   4.526
  312    HA   ILE  42           HA       ILE  42  -8.215   3.167   2.329
  313    HB   ILE  42           HB       ILE  42  -8.579   1.185   3.768
  314   HG12  ILE  42          HG12      ILE  42  -8.175   2.324   5.973
  315   HG13  ILE  42          HG13      ILE  42  -7.336   0.796   5.783
  316   HG21  ILE  42          HG21      ILE  42  -6.865   1.117   2.101
  317   HG22  ILE  42          HG22      ILE  42  -6.306   0.263   3.540
  318   HG23  ILE  42          HG23      ILE  42  -5.714   1.888   3.192
  319   HD11  ILE  42          HD11      ILE  42  -5.258   2.003   5.325
  320   HD12  ILE  42          HD12      ILE  42  -5.939   2.428   6.894
  321   HD13  ILE  42          HD13      ILE  42  -6.110   3.532   5.532